NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13358 | 1ul7 | 10025 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -2.740 25.729 -31.827 2 HA2 GLY 1 1HA GLY 1 -0.533 27.287 -30.626 3 HA3 GLY 1 2HA GLY 1 -1.873 26.658 -29.679 4 H SER 2 H SER 2 -1.973 24.450 -29.206 5 HA SER 2 HA SER 2 0.139 22.697 -30.131 6 HB2 SER 2 1HB SER 2 1.046 24.025 -28.140 7 HB3 SER 2 2HB SER 2 -0.121 23.140 -27.157 8 HG SER 2 HG SER 2 0.956 21.297 -27.500 9 H SER 3 H SER 3 -0.239 20.488 -29.647 10 HA SER 3 HA SER 3 -3.058 19.914 -29.152 11 HB2 SER 3 1HB SER 3 -0.795 18.406 -30.420 12 HB3 SER 3 2HB SER 3 -2.217 17.534 -29.847 13 HG SER 3 HG SER 3 -1.913 19.012 -32.080 14 H GLY 4 H GLY 4 -3.759 19.202 -27.254 15 HA2 GLY 4 1HA GLY 4 -1.783 18.032 -25.396 16 HA3 GLY 4 2HA GLY 4 -3.172 18.979 -24.887 17 H SER 5 H SER 5 -4.547 17.704 -23.849 18 HA SER 5 HA SER 5 -5.827 15.910 -23.276 19 HB2 SER 5 1HB SER 5 -6.905 16.575 -25.430 20 HB3 SER 5 2HB SER 5 -5.885 15.399 -26.259 21 HG SER 5 HG SER 5 -7.448 14.580 -24.075 22 H SER 6 H SER 6 -3.101 15.446 -23.059 23 HA SER 6 HA SER 6 -2.869 12.626 -23.885 24 HB2 SER 6 1HB SER 6 -0.515 12.872 -24.066 25 HB3 SER 6 2HB SER 6 -1.196 14.289 -24.863 26 HG SER 6 HG SER 6 0.592 14.388 -23.072 27 H GLY 7 H GLY 7 -3.010 11.217 -22.276 28 HA2 GLY 7 1HA GLY 7 -1.580 11.483 -19.840 29 HA3 GLY 7 2HA GLY 7 -3.277 11.867 -19.589 30 H ARG 8 H ARG 8 -0.976 9.407 -19.771 31 HA ARG 8 HA ARG 8 -3.110 7.376 -19.778 32 HB2 ARG 8 1HB ARG 8 -0.328 7.174 -20.939 33 HB3 ARG 8 2HB ARG 8 -1.406 5.801 -20.728 34 HG2 ARG 8 1HG ARG 8 -2.197 8.210 -22.331 35 HG3 ARG 8 2HG ARG 8 -1.300 6.862 -23.033 36 HD2 ARG 8 1HD ARG 8 -3.105 5.337 -22.259 37 HD3 ARG 8 2HD ARG 8 -4.014 6.751 -21.725 38 HE ARG 8 HE ARG 8 -4.594 7.153 -23.901 39 HH11 ARG 8 1HH1 ARG 8 -1.918 4.928 -23.830 40 HH12 ARG 8 2HH1 ARG 8 -1.975 4.602 -25.531 41 HH21 ARG 8 1HH2 ARG 8 -4.680 6.732 -26.141 42 HH22 ARG 8 2HH2 ARG 8 -3.546 5.629 -26.844 43 H PHE 9 H PHE 9 -2.639 5.442 -18.526 44 HA PHE 9 HA PHE 9 -1.679 6.046 -15.948 45 HB2 PHE 9 1HB PHE 9 -2.384 3.933 -15.346 46 HB3 PHE 9 2HB PHE 9 -3.335 4.184 -16.807 47 HD1 PHE 9 HD2 PHE 9 -0.504 2.398 -15.329 48 HD2 PHE 9 HD1 PHE 9 -2.880 2.946 -18.818 49 HE1 PHE 9 HE2 PHE 9 0.447 0.345 -16.295 50 HE2 PHE 9 HE1 PHE 9 -1.933 0.893 -19.789 51 HZ PHE 9 HZ PHE 9 -0.266 -0.409 -18.528 52 H THR 10 H THR 10 0.309 6.050 -15.142 53 HA THR 10 HA THR 10 2.311 4.168 -15.783 54 HB THR 10 HB THR 10 2.479 5.388 -17.891 55 HG1 THR 10 HG1 THR 10 4.414 4.629 -16.713 56 HG21 THR 10 1HG2 THR 10 3.600 7.851 -16.891 57 HG22 THR 10 2HG2 THR 10 1.946 7.638 -16.317 58 HG23 THR 10 3HG2 THR 10 2.290 7.605 -18.046 59 H TRP 11 H TRP 11 3.759 4.110 -14.168 60 HA TRP 11 HA TRP 11 3.503 5.978 -12.006 61 HB2 TRP 11 1HB TRP 11 5.077 3.479 -12.490 62 HB3 TRP 11 2HB TRP 11 5.544 4.540 -11.164 63 HD1 TRP 11 HD1 TRP 11 2.861 5.335 -9.890 64 HE1 TRP 11 HE1 TRP 11 1.322 3.593 -8.785 65 HE3 TRP 11 HE3 TRP 11 4.588 1.128 -12.227 66 HZ2 TRP 11 HZ2 TRP 11 0.896 0.804 -8.890 67 HZ3 TRP 11 HZ3 TRP 11 3.561 -1.037 -11.667 68 HH2 TRP 11 HH2 TRP 11 1.754 -1.194 -10.033 69 H SER 12 H SER 12 4.674 7.743 -11.621 70 HA SER 12 HA SER 12 7.351 8.000 -12.751 71 HB2 SER 12 1HB SER 12 6.810 10.295 -13.608 72 HB3 SER 12 2HB SER 12 6.001 8.997 -14.486 73 HG SER 12 HG SER 12 4.893 11.068 -13.296 74 H MET 13 H MET 13 8.716 8.967 -11.380 75 HA MET 13 HA MET 13 7.984 11.040 -9.589 76 HB2 MET 13 1HB MET 13 8.441 9.732 -7.478 77 HB3 MET 13 2HB MET 13 6.913 9.376 -8.271 78 HG2 MET 13 1HG MET 13 7.613 7.266 -7.819 79 HG3 MET 13 2HG MET 13 8.330 7.481 -9.414 80 HE1 MET 13 1HE MET 13 10.430 6.389 -5.632 81 HE2 MET 13 2HE MET 13 8.840 7.153 -5.633 82 HE3 MET 13 3HE MET 13 9.089 5.633 -6.494 83 H LYS 14 H LYS 14 9.836 11.267 -7.844 84 HA LYS 14 HA LYS 14 12.400 10.541 -9.090 85 HB2 LYS 14 1HB LYS 14 13.228 12.820 -8.347 86 HB3 LYS 14 2HB LYS 14 12.114 12.810 -9.708 87 HG2 LYS 14 1HG LYS 14 11.291 14.539 -8.445 88 HG3 LYS 14 2HG LYS 14 10.302 13.191 -7.880 89 HD2 LYS 14 1HD LYS 14 11.415 13.052 -5.856 90 HD3 LYS 14 2HD LYS 14 12.863 13.845 -6.482 91 HE2 LYS 14 1HE LYS 14 10.204 15.197 -6.030 92 HE3 LYS 14 2HE LYS 14 11.572 15.265 -4.920 93 HZ1 LYS 14 1HZ LYS 14 11.691 17.211 -6.190 94 HZ2 LYS 14 2HZ LYS 14 11.373 16.405 -7.643 95 HZ3 LYS 14 3HZ LYS 14 12.861 16.193 -6.867 96 H THR 15 H THR 15 10.703 9.685 -6.681 97 HA THR 15 HA THR 15 12.388 10.358 -4.428 98 HB THR 15 HB THR 15 10.090 8.400 -4.615 99 HG1 THR 15 HG1 THR 15 9.699 10.761 -4.914 100 HG21 THR 15 1HG2 THR 15 11.022 7.673 -2.681 101 HG22 THR 15 2HG2 THR 15 10.221 9.097 -2.016 102 HG23 THR 15 3HG2 THR 15 11.932 9.164 -2.436 103 H THR 16 H THR 16 14.173 9.306 -3.886 104 HA THR 16 HA THR 16 14.440 6.474 -4.646 105 HB THR 16 HB THR 16 16.928 6.954 -4.925 106 HG1 THR 16 HG1 THR 16 17.539 9.052 -5.207 107 HG21 THR 16 1HG2 THR 16 15.745 8.467 -7.110 108 HG22 THR 16 2HG2 THR 16 14.830 7.008 -6.728 109 HG23 THR 16 3HG2 THR 16 16.544 6.896 -7.129 110 H SER 17 H SER 17 14.990 5.168 -3.022 111 HA SER 17 HA SER 17 16.092 6.386 -0.574 112 HB2 SER 17 1HB SER 17 14.795 4.941 0.762 113 HB3 SER 17 2HB SER 17 13.688 5.458 -0.510 114 HG SER 17 HG SER 17 15.108 3.006 -0.359 115 H SER 18 H SER 18 18.051 5.717 -0.029 116 HA SER 18 HA SER 18 19.314 3.557 -1.443 117 HB2 SER 18 1HB SER 18 20.737 5.386 -0.994 118 HB3 SER 18 2HB SER 18 20.229 5.477 0.692 119 HG SER 18 HG SER 18 22.220 4.027 -0.419 120 H MET 19 H MET 19 17.641 3.927 1.535 121 HA MET 19 HA MET 19 18.828 1.737 2.923 122 HB2 MET 19 1HB MET 19 17.755 3.365 4.264 123 HB3 MET 19 2HB MET 19 16.283 3.300 3.305 124 HG2 MET 19 1HG MET 19 15.637 1.251 4.222 125 HG3 MET 19 2HG MET 19 17.249 0.927 4.854 126 HE1 MET 19 1HE MET 19 13.750 2.962 6.634 127 HE2 MET 19 2HE MET 19 14.566 4.205 5.686 128 HE3 MET 19 3HE MET 19 14.082 2.689 4.924 129 H ASP 20 H ASP 20 17.942 -0.326 3.322 130 HA ASP 20 HA ASP 20 17.006 -1.727 1.139 131 HB2 ASP 20 1HB ASP 20 16.626 -2.378 4.069 132 HB3 ASP 20 2HB ASP 20 16.396 -3.518 2.746 133 HA PRO 21 HA PRO 21 12.720 -0.853 0.752 134 HB2 PRO 21 1HB PRO 21 11.841 -3.191 -0.310 135 HB3 PRO 21 2HB PRO 21 12.798 -2.020 -1.225 136 HG2 PRO 21 1HG PRO 21 13.681 -4.533 0.142 137 HG3 PRO 21 2HG PRO 21 14.140 -3.906 -1.452 138 HD2 PRO 21 1HD PRO 21 15.723 -3.641 0.728 139 HD3 PRO 21 2HD PRO 21 15.675 -2.431 -0.569 140 H SER 22 H SER 22 13.815 -3.568 2.621 141 HA SER 22 HA SER 22 11.288 -4.385 3.631 142 HB2 SER 22 1HB SER 22 13.474 -5.716 3.641 143 HB3 SER 22 2HB SER 22 13.927 -4.753 5.047 144 HG SER 22 HG SER 22 12.731 -6.027 6.193 145 H ASP 23 H ASP 23 13.512 -1.864 4.458 146 HA ASP 23 HA ASP 23 12.311 -1.385 7.056 147 HB2 ASP 23 1HB ASP 23 14.486 0.027 5.508 148 HB3 ASP 23 2HB ASP 23 13.890 0.595 7.065 149 H MET 24 H MET 24 11.910 -0.356 3.804 150 HA MET 24 HA MET 24 10.791 2.200 4.261 151 HB2 MET 24 1HB MET 24 10.628 0.242 1.985 152 HB3 MET 24 2HB MET 24 9.712 1.743 1.961 153 HG2 MET 24 1HG MET 24 11.734 3.037 2.090 154 HG3 MET 24 2HG MET 24 12.698 1.573 2.278 155 HE1 MET 24 1HE MET 24 10.128 3.369 0.018 156 HE2 MET 24 2HE MET 24 11.653 4.212 -0.253 157 HE3 MET 24 3HE MET 24 10.912 3.287 -1.560 158 H MET 25 H MET 25 9.165 -0.870 3.431 159 HA MET 25 HA MET 25 6.563 -0.191 3.629 160 HB2 MET 25 1HB MET 25 8.019 -2.664 4.481 161 HB3 MET 25 2HB MET 25 6.293 -2.529 4.791 162 HG2 MET 25 1HG MET 25 7.530 -2.181 2.074 163 HG3 MET 25 2HG MET 25 6.911 -3.714 2.683 164 HE1 MET 25 1HE MET 25 4.305 -4.383 2.528 165 HE2 MET 25 2HE MET 25 4.485 -3.510 4.050 166 HE3 MET 25 3HE MET 25 3.128 -3.150 2.982 167 H ARG 26 H ARG 26 8.797 -0.577 6.310 168 HA ARG 26 HA ARG 26 6.853 -0.453 8.376 169 HB2 ARG 26 1HB ARG 26 9.337 -1.238 8.451 170 HB3 ARG 26 2HB ARG 26 9.687 0.461 8.737 171 HG2 ARG 26 1HG ARG 26 8.523 0.472 10.774 172 HG3 ARG 26 2HG ARG 26 7.719 -1.058 10.415 173 HD2 ARG 26 1HD ARG 26 9.335 -1.803 11.844 174 HD3 ARG 26 2HD ARG 26 10.208 -1.934 10.318 175 HE ARG 26 HE ARG 26 10.803 0.568 11.175 176 HH11 ARG 26 1HH1 ARG 26 11.003 -2.589 12.629 177 HH12 ARG 26 2HH1 ARG 26 12.361 -2.187 13.627 178 HH21 ARG 26 1HH2 ARG 26 12.591 1.110 12.483 179 HH22 ARG 26 2HH2 ARG 26 13.263 -0.082 13.544 180 H GLU 27 H GLU 27 9.283 1.986 7.424 181 HA GLU 27 HA GLU 27 8.272 4.105 8.879 182 HB2 GLU 27 1HB GLU 27 10.405 4.353 7.874 183 HB3 GLU 27 2HB GLU 27 9.770 4.031 6.267 184 HG2 GLU 27 1HG GLU 27 10.127 6.318 6.266 185 HG3 GLU 27 2HG GLU 27 8.401 6.171 6.591 186 H ILE 28 H ILE 28 7.459 3.131 5.565 187 HA ILE 28 HA ILE 28 5.829 5.146 4.743 188 HB ILE 28 HB ILE 28 5.399 2.181 4.383 189 HG12 ILE 28 1HG1 ILE 28 6.354 4.116 2.298 190 HG13 ILE 28 2HG1 ILE 28 7.484 3.478 3.487 191 HG21 ILE 28 1HG2 ILE 28 3.317 2.853 3.789 192 HG22 ILE 28 2HG2 ILE 28 3.828 4.505 3.446 193 HG23 ILE 28 3HG2 ILE 28 4.139 3.225 2.274 194 HD11 ILE 28 1HD1 ILE 28 7.557 1.465 2.514 195 HD12 ILE 28 2HD1 ILE 28 5.830 1.460 2.154 196 HD13 ILE 28 3HD1 ILE 28 6.947 2.330 1.103 197 H ARG 29 H ARG 29 4.632 2.270 6.490 198 HA ARG 29 HA ARG 29 2.029 3.147 6.883 199 HB2 ARG 29 1HB ARG 29 3.786 1.281 8.462 200 HB3 ARG 29 2HB ARG 29 2.126 1.607 8.942 201 HG2 ARG 29 1HG ARG 29 1.325 0.772 6.803 202 HG3 ARG 29 2HG ARG 29 2.987 0.479 6.287 203 HD2 ARG 29 1HD ARG 29 1.903 -1.575 7.066 204 HD3 ARG 29 2HD ARG 29 3.278 -1.138 8.080 205 HE ARG 29 HE ARG 29 1.131 -0.021 9.335 206 HH11 ARG 29 1HH1 ARG 29 1.954 -3.230 8.266 207 HH12 ARG 29 2HH1 ARG 29 1.048 -4.019 9.515 208 HH21 ARG 29 1HH2 ARG 29 -0.065 -1.048 10.984 209 HH22 ARG 29 2HH2 ARG 29 -0.100 -2.777 11.060 210 H LYS 30 H LYS 30 4.953 3.939 8.621 211 HA LYS 30 HA LYS 30 3.759 5.061 10.922 212 HB2 LYS 30 1HB LYS 30 6.241 4.418 10.441 213 HB3 LYS 30 2HB LYS 30 6.361 6.053 9.805 214 HG2 LYS 30 1HG LYS 30 5.364 6.772 12.068 215 HG3 LYS 30 2HG LYS 30 5.826 5.157 12.608 216 HD2 LYS 30 1HD LYS 30 7.721 6.323 13.151 217 HD3 LYS 30 2HD LYS 30 8.129 5.814 11.511 218 HE2 LYS 30 1HE LYS 30 7.851 7.921 10.644 219 HE3 LYS 30 2HE LYS 30 6.703 8.401 11.892 220 HZ1 LYS 30 1HZ LYS 30 9.445 7.847 12.731 221 HZ2 LYS 30 2HZ LYS 30 8.349 8.998 13.309 222 HZ3 LYS 30 3HZ LYS 30 9.177 9.273 11.860 223 H VAL 31 H VAL 31 4.899 6.524 7.890 224 HA VAL 31 HA VAL 31 4.241 9.182 8.554 225 HB VAL 31 HB VAL 31 4.547 7.830 5.875 226 HG11 VAL 31 1HG1 VAL 31 3.384 10.377 6.471 227 HG12 VAL 31 2HG1 VAL 31 4.906 10.606 5.607 228 HG13 VAL 31 3HG1 VAL 31 3.634 9.606 4.906 229 HG21 VAL 31 1HG2 VAL 31 6.335 9.471 7.638 230 HG22 VAL 31 2HG2 VAL 31 6.634 7.886 6.925 231 HG23 VAL 31 3HG2 VAL 31 6.636 9.326 5.906 232 H LEU 32 H LEU 32 2.453 6.696 6.753 233 HA LEU 32 HA LEU 32 0.227 8.249 6.080 234 HB2 LEU 32 1HB LEU 32 0.408 5.292 6.632 235 HB3 LEU 32 2HB LEU 32 -0.967 6.091 5.872 236 HG LEU 32 HG LEU 32 1.799 6.159 4.689 237 HD11 LEU 32 1HD1 LEU 32 0.273 3.863 5.021 238 HD12 LEU 32 2HD1 LEU 32 1.605 4.096 3.889 239 HD13 LEU 32 3HD1 LEU 32 -0.055 4.381 3.367 240 HD21 LEU 32 1HD2 LEU 32 -0.102 7.786 4.050 241 HD22 LEU 32 2HD2 LEU 32 -0.817 6.386 3.248 242 HD23 LEU 32 3HD2 LEU 32 0.780 6.961 2.764 243 H GLY 33 H GLY 33 0.544 5.919 8.771 244 HA2 GLY 33 1HA GLY 33 -1.880 6.413 10.012 245 HA3 GLY 33 2HA GLY 33 -0.428 5.888 10.851 246 H ALA 34 H ALA 34 0.960 8.402 9.948 247 HA ALA 34 HA ALA 34 0.219 9.991 12.230 248 HB1 ALA 34 1HB ALA 34 2.425 9.974 10.261 249 HB2 ALA 34 2HB ALA 34 2.043 11.523 11.013 250 HB3 ALA 34 3HB ALA 34 2.468 10.137 12.017 251 H ASN 35 H ASN 35 -0.028 10.274 8.719 252 HA ASN 35 HA ASN 35 -1.217 12.910 8.891 253 HB2 ASN 35 1HB ASN 35 -0.536 11.061 6.615 254 HB3 ASN 35 2HB ASN 35 -1.509 12.506 6.359 255 HD21 ASN 35 1HD2 ASN 35 1.572 11.271 6.443 256 HD22 ASN 35 2HD2 ASN 35 2.456 12.753 6.537 257 H ASN 36 H ASN 36 -2.708 11.129 10.351 258 HA ASN 36 HA ASN 36 -4.734 10.026 10.505 259 HB2 ASN 36 1HB ASN 36 -5.233 12.732 9.306 260 HB3 ASN 36 2HB ASN 36 -6.583 11.647 9.624 261 HD21 ASN 36 1HD2 ASN 36 -6.635 10.729 11.864 262 HD22 ASN 36 2HD2 ASN 36 -6.232 11.798 13.160 263 H CYS 37 H CYS 37 -3.440 8.854 8.430 264 HA CYS 37 HA CYS 37 -5.449 8.688 6.286 265 HB2 CYS 37 1HB CYS 37 -2.485 8.299 6.339 266 HB3 CYS 37 2HB CYS 37 -3.435 7.405 5.158 267 HG CYS 37 HG CYS 37 -3.251 10.810 5.441 268 H ASP 38 H ASP 38 -5.570 6.453 5.264 269 HA ASP 38 HA ASP 38 -5.483 4.390 7.367 270 HB2 ASP 38 1HB ASP 38 -7.658 5.111 5.441 271 HB3 ASP 38 2HB ASP 38 -7.492 3.436 5.961 272 H TYR 39 H TYR 39 -4.226 2.725 6.887 273 HA TYR 39 HA TYR 39 -3.640 2.181 4.052 274 HB2 TYR 39 1HB TYR 39 -1.538 1.083 4.990 275 HB3 TYR 39 2HB TYR 39 -1.614 2.839 5.081 276 HD1 TYR 39 HD1 TYR 39 -2.049 3.946 7.255 277 HD2 TYR 39 HD2 TYR 39 -1.465 -0.259 6.965 278 HE1 TYR 39 HE1 TYR 39 -1.634 3.842 9.677 279 HE2 TYR 39 HE2 TYR 39 -1.050 -0.374 9.386 280 HH TYR 39 HH TYR 39 -1.520 2.404 11.466 281 H GLU 40 H GLU 40 -3.621 0.056 3.320 282 HA GLU 40 HA GLU 40 -4.590 -1.994 5.187 283 HB2 GLU 40 1HB GLU 40 -5.753 -1.284 2.498 284 HB3 GLU 40 2HB GLU 40 -6.037 -2.840 3.266 285 HG2 GLU 40 1HG GLU 40 -6.901 -1.534 5.260 286 HG3 GLU 40 2HG GLU 40 -6.889 -0.122 4.205 287 H GLN 41 H GLN 41 -3.570 -3.897 5.026 288 HA GLN 41 HA GLN 41 -1.331 -4.154 3.277 289 HB2 GLN 41 1HB GLN 41 -1.424 -5.091 5.587 290 HB3 GLN 41 2HB GLN 41 -2.600 -6.270 5.022 291 HG2 GLN 41 1HG GLN 41 -0.590 -7.426 4.997 292 HG3 GLN 41 2HG GLN 41 -0.823 -6.950 3.315 293 HE21 GLN 41 1HE2 GLN 41 1.500 -7.358 3.208 294 HE22 GLN 41 2HE2 GLN 41 2.588 -6.090 3.649 295 H ARG 42 H ARG 42 -1.888 -4.273 1.153 296 HA ARG 42 HA ARG 42 -3.952 -6.133 0.293 297 HB2 ARG 42 1HB ARG 42 -2.194 -4.345 -1.395 298 HB3 ARG 42 2HB ARG 42 -3.660 -5.171 -1.908 299 HG2 ARG 42 1HG ARG 42 -3.737 -3.193 0.333 300 HG3 ARG 42 2HG ARG 42 -3.762 -2.658 -1.349 301 HD2 ARG 42 1HD ARG 42 -5.665 -4.739 -0.320 302 HD3 ARG 42 2HD ARG 42 -6.008 -3.016 -0.172 303 HE ARG 42 HE ARG 42 -5.323 -3.673 -2.841 304 HH11 ARG 42 1HH1 ARG 42 -7.904 -3.940 -0.519 305 HH12 ARG 42 2HH1 ARG 42 -9.154 -3.981 -1.718 306 HH21 ARG 42 1HH2 ARG 42 -6.960 -3.726 -4.429 307 HH22 ARG 42 2HH2 ARG 42 -8.616 -3.860 -3.941 308 H GLU 43 H GLU 43 -0.651 -5.485 -0.897 309 HA GLU 43 HA GLU 43 -0.384 -8.357 -1.456 310 HB2 GLU 43 1HB GLU 43 1.259 -6.057 -2.526 311 HB3 GLU 43 2HB GLU 43 1.380 -7.739 -3.021 312 HG2 GLU 43 1HG GLU 43 -1.114 -7.484 -3.650 313 HG3 GLU 43 2HG GLU 43 -0.776 -5.754 -3.595 314 H ARG 44 H ARG 44 2.224 -8.800 -1.542 315 HA ARG 44 HA ARG 44 2.982 -8.996 1.163 316 HB2 ARG 44 1HB ARG 44 3.746 -10.582 -0.539 317 HB3 ARG 44 2HB ARG 44 4.663 -9.307 -1.331 318 HG2 ARG 44 1HG ARG 44 5.966 -9.072 0.813 319 HG3 ARG 44 2HG ARG 44 5.173 -10.553 1.355 320 HD2 ARG 44 1HD ARG 44 6.505 -10.541 -1.307 321 HD3 ARG 44 2HD ARG 44 7.515 -10.604 0.138 322 HE ARG 44 HE ARG 44 5.442 -12.532 0.274 323 HH11 ARG 44 1HH1 ARG 44 8.494 -11.872 -1.265 324 HH12 ARG 44 2HH1 ARG 44 8.894 -13.543 -1.484 325 HH21 ARG 44 1HH2 ARG 44 5.957 -14.736 -0.009 326 HH22 ARG 44 2HH2 ARG 44 7.450 -15.172 -0.770 327 H PHE 45 H PHE 45 3.802 -6.703 -1.368 328 HA PHE 45 HA PHE 45 5.132 -5.043 0.661 329 HB2 PHE 45 1HB PHE 45 6.159 -5.892 -2.011 330 HB3 PHE 45 2HB PHE 45 6.559 -4.278 -1.434 331 HD1 PHE 45 HD2 PHE 45 7.796 -4.022 0.719 332 HD2 PHE 45 HD1 PHE 45 7.239 -7.801 -1.160 333 HE1 PHE 45 HE2 PHE 45 9.630 -4.958 2.065 334 HE2 PHE 45 HE1 PHE 45 9.072 -8.743 0.184 335 HZ PHE 45 HZ PHE 45 10.271 -7.321 1.799 336 H LEU 46 H LEU 46 2.432 -4.906 -0.220 337 HA LEU 46 HA LEU 46 2.462 -2.228 -1.426 338 HB2 LEU 46 1HB LEU 46 1.827 -4.058 -3.062 339 HB3 LEU 46 2HB LEU 46 0.379 -4.294 -2.086 340 HG LEU 46 HG LEU 46 0.958 -1.568 -3.142 341 HD11 LEU 46 1HD1 LEU 46 0.581 -3.923 -4.791 342 HD12 LEU 46 2HD1 LEU 46 1.014 -2.277 -5.250 343 HD13 LEU 46 3HD1 LEU 46 -0.681 -2.718 -5.045 344 HD21 LEU 46 1HD2 LEU 46 -1.033 -2.583 -1.627 345 HD22 LEU 46 2HD2 LEU 46 -1.720 -2.789 -3.238 346 HD23 LEU 46 3HD2 LEU 46 -1.216 -1.189 -2.691 347 H LEU 47 H LEU 47 0.762 -0.854 -0.790 348 HA LEU 47 HA LEU 47 -1.052 -1.818 1.285 349 HB2 LEU 47 1HB LEU 47 0.728 0.585 1.659 350 HB3 LEU 47 2HB LEU 47 -0.498 0.009 2.787 351 HG LEU 47 HG LEU 47 1.886 -1.657 2.025 352 HD11 LEU 47 1HD1 LEU 47 2.997 -0.865 4.025 353 HD12 LEU 47 2HD1 LEU 47 1.661 0.235 4.361 354 HD13 LEU 47 3HD1 LEU 47 2.672 0.486 2.938 355 HD21 LEU 47 1HD2 LEU 47 1.008 -3.162 3.400 356 HD22 LEU 47 2HD2 LEU 47 -0.441 -2.161 3.494 357 HD23 LEU 47 3HD2 LEU 47 0.845 -1.966 4.686 358 H PHE 48 H PHE 48 -3.018 -0.887 1.207 359 HA PHE 48 HA PHE 48 -3.527 0.995 -0.936 360 HB2 PHE 48 1HB PHE 48 -4.959 -1.080 -0.234 361 HB3 PHE 48 2HB PHE 48 -5.635 0.022 0.960 362 HD1 PHE 48 HD2 PHE 48 -5.117 -0.471 -2.671 363 HD2 PHE 48 HD1 PHE 48 -7.275 1.585 0.369 364 HE1 PHE 48 HE2 PHE 48 -6.661 0.414 -4.370 365 HE2 PHE 48 HE1 PHE 48 -8.823 2.472 -1.326 366 HZ PHE 48 HZ PHE 48 -8.516 1.888 -3.699 367 H CYS 49 H CYS 49 -3.106 3.068 -0.512 368 HA CYS 49 HA CYS 49 -3.473 4.158 2.146 369 HB2 CYS 49 1HB CYS 49 -2.693 5.653 -0.359 370 HB3 CYS 49 2HB CYS 49 -2.421 6.140 1.310 371 HG CYS 49 HG CYS 49 -0.926 3.420 -0.129 372 H VAL 50 H VAL 50 -5.154 5.331 2.834 373 HA VAL 50 HA VAL 50 -7.044 6.401 0.857 374 HB VAL 50 HB VAL 50 -7.783 4.748 3.272 375 HG11 VAL 50 1HG1 VAL 50 -10.027 5.463 1.656 376 HG12 VAL 50 2HG1 VAL 50 -9.745 5.781 3.369 377 HG13 VAL 50 3HG1 VAL 50 -9.180 6.927 2.153 378 HG21 VAL 50 1HG2 VAL 50 -9.129 3.665 1.224 379 HG22 VAL 50 2HG2 VAL 50 -7.727 4.285 0.352 380 HG23 VAL 50 3HG2 VAL 50 -7.506 3.153 1.687 381 H HIS 51 H HIS 51 -7.244 8.508 1.180 382 HA HIS 51 HA HIS 51 -7.318 9.520 3.937 383 HB2 HIS 51 1HB HIS 51 -5.081 9.880 2.665 384 HB3 HIS 51 2HB HIS 51 -5.978 11.093 1.756 385 HD1 HIS 51 HD1 HIS 51 -5.042 13.223 2.651 386 HD2 HIS 51 HD2 HIS 51 -6.121 10.585 5.673 387 HE1 HIS 51 HE1 HIS 51 -4.768 14.509 4.795 388 HE2 HIS 51 HE2 HIS 51 -5.346 12.866 6.614 389 H GLY 52 H GLY 52 -8.812 11.084 4.337 390 HA2 GLY 52 1HA GLY 52 -10.503 11.866 2.046 391 HA3 GLY 52 2HA GLY 52 -11.093 11.657 3.688 392 H ASP 53 H ASP 53 -8.381 13.458 2.233 393 HA ASP 53 HA ASP 53 -8.331 15.562 4.003 394 HB2 ASP 53 1HB ASP 53 -6.543 15.556 2.531 395 HB3 ASP 53 2HB ASP 53 -7.568 15.294 1.123 396 H GLY 54 H GLY 54 -10.027 15.539 0.859 397 HA2 GLY 54 1HA GLY 54 -11.446 17.967 1.529 398 HA3 GLY 54 2HA GLY 54 -11.618 17.027 0.054 399 H HIS 55 H HIS 55 -13.755 16.694 -0.104 400 HA HIS 55 HA HIS 55 -15.348 16.059 2.224 401 HB2 HIS 55 1HB HIS 55 -15.898 16.637 -0.650 402 HB3 HIS 55 2HB HIS 55 -17.105 15.730 0.257 403 HD1 HIS 55 HD1 HIS 55 -18.889 17.293 0.930 404 HD2 HIS 55 HD2 HIS 55 -15.126 19.024 1.256 405 HE1 HIS 55 HE1 HIS 55 -19.284 19.588 1.879 406 HE2 HIS 55 HE2 HIS 55 -17.002 20.648 1.988 407 H ALA 56 H ALA 56 -16.758 14.161 2.287 408 HA ALA 56 HA ALA 56 -15.356 11.765 2.070 409 HB1 ALA 56 1HB ALA 56 -17.177 11.903 3.589 410 HB2 ALA 56 2HB ALA 56 -18.311 12.293 2.294 411 HB3 ALA 56 3HB ALA 56 -17.599 10.682 2.388 412 H GLU 57 H GLU 57 -17.670 13.259 -0.145 413 HA GLU 57 HA GLU 57 -17.797 11.060 -1.943 414 HB2 GLU 57 1HB GLU 57 -19.485 12.933 -1.740 415 HB3 GLU 57 2HB GLU 57 -18.341 13.956 -2.598 416 HG2 GLU 57 1HG GLU 57 -19.746 13.240 -4.278 417 HG3 GLU 57 2HG GLU 57 -18.393 12.116 -4.402 418 H ASN 58 H ASN 58 -15.501 13.546 -1.410 419 HA ASN 58 HA ASN 58 -14.203 12.964 -3.989 420 HB2 ASN 58 1HB ASN 58 -13.894 15.368 -2.177 421 HB3 ASN 58 2HB ASN 58 -12.992 15.105 -3.667 422 HD21 ASN 58 1HD2 ASN 58 -16.402 14.557 -2.905 423 HD22 ASN 58 2HD2 ASN 58 -17.024 15.616 -4.120 424 H LEU 59 H LEU 59 -13.941 11.117 -1.938 425 HA LEU 59 HA LEU 59 -11.624 11.534 -0.353 426 HB2 LEU 59 1HB LEU 59 -13.291 9.904 0.277 427 HB3 LEU 59 2HB LEU 59 -13.014 9.001 -1.211 428 HG LEU 59 HG LEU 59 -10.564 8.824 -0.228 429 HD11 LEU 59 1HD1 LEU 59 -10.282 9.223 1.951 430 HD12 LEU 59 2HD1 LEU 59 -11.844 8.526 2.379 431 HD13 LEU 59 3HD1 LEU 59 -11.747 10.196 1.821 432 HD21 LEU 59 1HD2 LEU 59 -11.438 6.777 -0.582 433 HD22 LEU 59 2HD2 LEU 59 -13.005 7.207 0.105 434 HD23 LEU 59 3HD2 LEU 59 -11.658 6.796 1.168 435 H VAL 60 H VAL 60 -9.548 10.596 -0.576 436 HA VAL 60 HA VAL 60 -8.801 10.041 -3.373 437 HB VAL 60 HB VAL 60 -7.293 11.420 -1.168 438 HG11 VAL 60 1HG1 VAL 60 -6.226 9.913 -3.500 439 HG12 VAL 60 2HG1 VAL 60 -5.443 11.428 -3.048 440 HG13 VAL 60 3HG1 VAL 60 -5.557 10.111 -1.881 441 HG21 VAL 60 1HG2 VAL 60 -7.959 13.219 -2.289 442 HG22 VAL 60 2HG2 VAL 60 -6.974 12.685 -3.651 443 HG23 VAL 60 3HG2 VAL 60 -8.673 12.222 -3.556 444 H GLN 61 H GLN 61 -7.868 8.149 -3.843 445 HA GLN 61 HA GLN 61 -6.728 6.548 -1.662 446 HB2 GLN 61 1HB GLN 61 -8.606 5.488 -3.780 447 HB3 GLN 61 2HB GLN 61 -7.800 4.528 -2.547 448 HG2 GLN 61 1HG GLN 61 -9.053 5.572 -0.810 449 HG3 GLN 61 2HG GLN 61 -9.724 6.754 -1.932 450 HE21 GLN 61 1HE2 GLN 61 -10.838 4.544 -0.144 451 HE22 GLN 61 2HE2 GLN 61 -11.932 3.698 -1.179 452 H TRP 62 H TRP 62 -4.708 6.027 -2.132 453 HA TRP 62 HA TRP 62 -4.008 5.398 -4.913 454 HB2 TRP 62 1HB TRP 62 -2.000 6.705 -4.823 455 HB3 TRP 62 2HB TRP 62 -3.332 7.750 -4.337 456 HD1 TRP 62 HD1 TRP 62 -0.020 6.465 -3.172 457 HE1 TRP 62 HE1 TRP 62 0.475 7.341 -0.803 458 HE3 TRP 62 HE3 TRP 62 -4.635 8.339 -2.018 459 HZ2 TRP 62 HZ2 TRP 62 -0.907 8.653 1.280 460 HZ3 TRP 62 HZ3 TRP 62 -4.965 9.388 0.183 461 HH2 TRP 62 HH2 TRP 62 -3.139 9.540 1.797 462 H GLU 63 H GLU 63 -2.254 3.958 -5.171 463 HA GLU 63 HA GLU 63 -1.834 2.247 -2.841 464 HB2 GLU 63 1HB GLU 63 -1.368 1.854 -5.793 465 HB3 GLU 63 2HB GLU 63 -0.793 0.709 -4.588 466 HG2 GLU 63 1HG GLU 63 -2.985 0.156 -3.922 467 HG3 GLU 63 2HG GLU 63 -3.674 1.525 -4.794 468 H MET 64 H MET 64 0.247 1.532 -2.208 469 HA MET 64 HA MET 64 2.498 3.138 -3.201 470 HB2 MET 64 1HB MET 64 1.526 2.860 -0.386 471 HB3 MET 64 2HB MET 64 3.249 3.049 -0.681 472 HG2 MET 64 1HG MET 64 2.798 5.134 -1.893 473 HG3 MET 64 2HG MET 64 1.081 4.949 -1.542 474 HE1 MET 64 1HE MET 64 4.349 6.702 0.923 475 HE2 MET 64 2HE MET 64 4.541 4.949 0.925 476 HE3 MET 64 3HE MET 64 4.461 5.826 -0.604 477 H GLU 65 H GLU 65 3.302 1.370 -4.338 478 HA GLU 65 HA GLU 65 4.019 -1.006 -2.773 479 HB2 GLU 65 1HB GLU 65 2.903 -1.719 -4.693 480 HB3 GLU 65 2HB GLU 65 3.652 -0.490 -5.703 481 HG2 GLU 65 1HG GLU 65 4.514 -2.682 -6.244 482 HG3 GLU 65 2HG GLU 65 5.785 -1.668 -5.563 483 H VAL 66 H VAL 66 6.121 -1.746 -2.636 484 HA VAL 66 HA VAL 66 8.181 0.221 -3.373 485 HB VAL 66 HB VAL 66 8.374 -1.980 -1.314 486 HG11 VAL 66 1HG1 VAL 66 10.560 -1.537 -1.844 487 HG12 VAL 66 2HG1 VAL 66 10.229 0.140 -2.284 488 HG13 VAL 66 3HG1 VAL 66 10.286 -0.333 -0.585 489 HG21 VAL 66 1HG2 VAL 66 8.375 0.129 0.226 490 HG22 VAL 66 2HG2 VAL 66 7.517 0.875 -1.122 491 HG23 VAL 66 3HG2 VAL 66 6.849 -0.554 -0.334 492 H CYS 67 H CYS 67 8.968 -0.336 -5.321 493 HA CYS 67 HA CYS 67 10.009 -3.071 -5.617 494 HB2 CYS 67 1HB CYS 67 7.861 -2.394 -6.982 495 HB3 CYS 67 2HB CYS 67 9.026 -1.573 -8.014 496 HG CYS 67 HG CYS 67 9.711 -3.644 -9.360 497 H LYS 68 H LYS 68 11.637 -3.169 -7.477 498 HA LYS 68 HA LYS 68 13.560 -1.030 -7.046 499 HB2 LYS 68 1HB LYS 68 15.139 -2.519 -8.212 500 HB3 LYS 68 2HB LYS 68 14.348 -3.326 -6.864 501 HG2 LYS 68 1HG LYS 68 12.679 -4.077 -8.779 502 HG3 LYS 68 2HG LYS 68 14.111 -3.814 -9.777 503 HD2 LYS 68 1HD LYS 68 14.202 -5.460 -7.264 504 HD3 LYS 68 2HD LYS 68 13.753 -6.158 -8.821 505 HE2 LYS 68 1HE LYS 68 16.259 -4.551 -8.587 506 HE3 LYS 68 2HE LYS 68 16.238 -6.218 -8.012 507 HZ1 LYS 68 1HZ LYS 68 15.976 -7.038 -10.107 508 HZ2 LYS 68 2HZ LYS 68 16.872 -5.650 -10.469 509 HZ3 LYS 68 3HZ LYS 68 15.195 -5.656 -10.692 510 H LEU 69 H LEU 69 14.353 0.325 -8.606 511 HA LEU 69 HA LEU 69 12.674 0.773 -10.893 512 HB2 LEU 69 1HB LEU 69 15.270 2.103 -10.135 513 HB3 LEU 69 2HB LEU 69 14.107 2.684 -11.325 514 HG LEU 69 HG LEU 69 13.470 2.400 -8.394 515 HD11 LEU 69 1HD1 LEU 69 15.346 3.982 -8.780 516 HD12 LEU 69 2HD1 LEU 69 13.890 4.747 -8.144 517 HD13 LEU 69 3HD1 LEU 69 14.293 4.905 -9.853 518 HD21 LEU 69 1HD2 LEU 69 11.540 2.429 -9.866 519 HD22 LEU 69 2HD2 LEU 69 12.137 3.890 -10.654 520 HD23 LEU 69 3HD2 LEU 69 11.643 3.940 -8.961 521 HA PRO 70 HA PRO 70 14.907 -1.609 -13.848 522 HB2 PRO 70 1HB PRO 70 14.140 -0.311 -16.106 523 HB3 PRO 70 2HB PRO 70 13.063 -1.380 -15.199 524 HG2 PRO 70 1HG PRO 70 13.241 1.608 -15.158 525 HG3 PRO 70 2HG PRO 70 11.801 0.573 -15.186 526 HD2 PRO 70 1HD PRO 70 12.719 1.730 -12.917 527 HD3 PRO 70 2HD PRO 70 11.905 0.152 -12.923 528 H ARG 71 H ARG 71 14.993 1.905 -14.485 529 HA ARG 71 HA ARG 71 17.539 1.761 -15.781 530 HB2 ARG 71 1HB ARG 71 15.625 3.510 -16.064 531 HB3 ARG 71 2HB ARG 71 16.379 4.300 -14.685 532 HG2 ARG 71 1HG ARG 71 17.671 3.695 -17.336 533 HG3 ARG 71 2HG ARG 71 17.180 5.279 -16.734 534 HD2 ARG 71 1HD ARG 71 18.760 4.602 -14.724 535 HD3 ARG 71 2HD ARG 71 19.491 3.575 -15.957 536 HE ARG 71 HE ARG 71 20.408 5.442 -16.892 537 HH11 ARG 71 1HH1 ARG 71 17.753 6.404 -14.856 538 HH12 ARG 71 2HH1 ARG 71 18.057 8.100 -15.039 539 HH21 ARG 71 1HH2 ARG 71 20.818 7.672 -17.141 540 HH22 ARG 71 2HH2 ARG 71 19.800 8.820 -16.339 541 H LEU 72 H LEU 72 16.415 2.904 -12.614 542 HA LEU 72 HA LEU 72 19.153 3.378 -11.752 543 HB2 LEU 72 1HB LEU 72 16.488 3.773 -10.408 544 HB3 LEU 72 2HB LEU 72 18.032 4.077 -9.613 545 HG LEU 72 HG LEU 72 18.463 5.707 -11.569 546 HD11 LEU 72 1HD1 LEU 72 16.850 5.510 -13.137 547 HD12 LEU 72 2HD1 LEU 72 16.019 6.669 -12.099 548 HD13 LEU 72 3HD1 LEU 72 15.640 4.950 -11.983 549 HD21 LEU 72 1HD2 LEU 72 17.048 7.462 -10.382 550 HD22 LEU 72 2HD2 LEU 72 18.230 6.589 -9.407 551 HD23 LEU 72 3HD2 LEU 72 16.522 6.155 -9.320 552 H SER 73 H SER 73 19.822 2.529 -9.586 553 HA SER 73 HA SER 73 18.968 -0.277 -9.315 554 HB2 SER 73 1HB SER 73 21.231 -0.692 -8.369 555 HB3 SER 73 2HB SER 73 21.287 -0.100 -10.029 556 HG SER 73 HG SER 73 21.751 1.385 -7.657 557 H LEU 74 H LEU 74 17.354 1.395 -8.031 558 HA LEU 74 HA LEU 74 17.985 0.877 -5.230 559 HB2 LEU 74 1HB LEU 74 16.987 3.571 -6.124 560 HB3 LEU 74 2HB LEU 74 17.463 3.086 -4.499 561 HG LEU 74 HG LEU 74 19.509 3.000 -6.662 562 HD11 LEU 74 1HD1 LEU 74 18.173 5.212 -6.718 563 HD12 LEU 74 2HD1 LEU 74 19.934 5.276 -6.659 564 HD13 LEU 74 3HD1 LEU 74 18.993 5.555 -5.195 565 HD21 LEU 74 1HD2 LEU 74 19.539 3.666 -3.721 566 HD22 LEU 74 2HD2 LEU 74 20.953 3.685 -4.775 567 HD23 LEU 74 3HD2 LEU 74 20.097 2.172 -4.475 568 H ASN 75 H ASN 75 15.984 1.530 -3.846 569 HA ASN 75 HA ASN 75 13.669 0.319 -5.151 570 HB2 ASN 75 1HB ASN 75 13.759 1.030 -2.239 571 HB3 ASN 75 2HB ASN 75 12.912 -0.293 -3.036 572 HD21 ASN 75 1HD2 ASN 75 13.793 -2.231 -2.925 573 HD22 ASN 75 2HD2 ASN 75 15.430 -2.575 -2.494 574 H GLY 76 H GLY 76 12.120 1.563 -5.958 575 HA2 GLY 76 1HA GLY 76 11.743 4.252 -4.791 576 HA3 GLY 76 2HA GLY 76 11.467 3.867 -6.484 577 H VAL 77 H VAL 77 9.749 4.924 -4.189 578 HA VAL 77 HA VAL 77 7.693 2.884 -3.978 579 HB VAL 77 HB VAL 77 7.507 5.726 -2.992 580 HG11 VAL 77 1HG1 VAL 77 5.418 4.496 -3.010 581 HG12 VAL 77 2HG1 VAL 77 6.168 3.163 -2.130 582 HG13 VAL 77 3HG1 VAL 77 5.966 4.732 -1.351 583 HG21 VAL 77 1HG2 VAL 77 8.263 4.720 -0.786 584 HG22 VAL 77 2HG2 VAL 77 8.841 3.345 -1.727 585 HG23 VAL 77 3HG2 VAL 77 9.509 4.952 -2.013 586 H ARG 78 H ARG 78 6.348 2.604 -5.629 587 HA ARG 78 HA ARG 78 5.736 4.800 -7.431 588 HB2 ARG 78 1HB ARG 78 4.285 2.828 -8.457 589 HB3 ARG 78 2HB ARG 78 6.020 2.937 -8.725 590 HG2 ARG 78 1HG ARG 78 6.465 1.277 -7.089 591 HG3 ARG 78 2HG ARG 78 4.797 1.311 -6.513 592 HD2 ARG 78 1HD ARG 78 4.703 -0.545 -7.837 593 HD3 ARG 78 2HD ARG 78 4.293 0.686 -9.030 594 HE ARG 78 HE ARG 78 6.971 0.530 -9.249 595 HH11 ARG 78 1HH1 ARG 78 4.462 -1.884 -9.242 596 HH12 ARG 78 2HH1 ARG 78 5.327 -2.973 -10.275 597 HH21 ARG 78 1HH2 ARG 78 8.120 -0.896 -10.609 598 HH22 ARG 78 2HH2 ARG 78 7.408 -2.411 -11.050 599 H PHE 79 H PHE 79 3.812 5.827 -7.599 600 HA PHE 79 HA PHE 79 1.728 5.065 -5.661 601 HB2 PHE 79 1HB PHE 79 2.576 7.768 -6.693 602 HB3 PHE 79 2HB PHE 79 1.037 7.516 -5.876 603 HD1 PHE 79 HD2 PHE 79 4.539 6.371 -5.268 604 HD2 PHE 79 HD1 PHE 79 1.074 8.306 -3.731 605 HE1 PHE 79 HE2 PHE 79 5.657 6.636 -3.092 606 HE2 PHE 79 HE1 PHE 79 2.186 8.575 -1.553 607 HZ PHE 79 HZ PHE 79 4.480 7.738 -1.231 608 H LYS 80 H LYS 80 -0.092 4.319 -6.502 609 HA LYS 80 HA LYS 80 -0.752 5.026 -9.284 610 HB2 LYS 80 1HB LYS 80 -0.302 2.556 -8.473 611 HB3 LYS 80 2HB LYS 80 -1.964 2.665 -7.907 612 HG2 LYS 80 1HG LYS 80 -1.382 3.478 -10.703 613 HG3 LYS 80 2HG LYS 80 -1.371 1.758 -10.308 614 HD2 LYS 80 1HD LYS 80 -3.647 2.261 -9.171 615 HD3 LYS 80 2HD LYS 80 -3.629 3.721 -10.162 616 HE2 LYS 80 1HE LYS 80 -4.715 2.304 -11.585 617 HE3 LYS 80 2HE LYS 80 -3.049 1.991 -12.072 618 HZ1 LYS 80 1HZ LYS 80 -3.861 -0.118 -11.791 619 HZ2 LYS 80 2HZ LYS 80 -4.871 0.304 -10.502 620 HZ3 LYS 80 3HZ LYS 80 -3.203 0.162 -10.258 621 H ARG 81 H ARG 81 -2.347 6.445 -9.459 622 HA ARG 81 HA ARG 81 -4.081 7.110 -7.310 623 HB2 ARG 81 1HB ARG 81 -3.483 8.793 -8.933 624 HB3 ARG 81 2HB ARG 81 -4.159 7.832 -10.242 625 HG2 ARG 81 1HG ARG 81 -6.388 8.140 -9.375 626 HG3 ARG 81 2HG ARG 81 -5.752 8.997 -7.969 627 HD2 ARG 81 1HD ARG 81 -6.361 10.761 -9.302 628 HD3 ARG 81 2HD ARG 81 -4.680 10.548 -9.789 629 HE ARG 81 HE ARG 81 -7.039 10.017 -11.377 630 HH11 ARG 81 1HH1 ARG 81 -3.615 9.526 -10.986 631 HH12 ARG 81 2HH1 ARG 81 -3.345 9.154 -12.657 632 HH21 ARG 81 1HH2 ARG 81 -6.697 9.530 -13.579 633 HH22 ARG 81 2HH2 ARG 81 -5.099 9.157 -14.131 634 H ILE 82 H ILE 82 -5.708 5.895 -6.625 635 HA ILE 82 HA ILE 82 -6.964 3.961 -8.378 636 HB ILE 82 HB ILE 82 -7.588 4.599 -5.493 637 HG12 ILE 82 1HG1 ILE 82 -5.290 3.844 -5.699 638 HG13 ILE 82 2HG1 ILE 82 -6.265 2.555 -5.002 639 HG21 ILE 82 1HG2 ILE 82 -8.838 2.890 -7.443 640 HG22 ILE 82 2HG2 ILE 82 -8.223 1.946 -6.087 641 HG23 ILE 82 3HG2 ILE 82 -9.346 3.274 -5.798 642 HD11 ILE 82 1HD1 ILE 82 -4.743 2.622 -7.475 643 HD12 ILE 82 2HD1 ILE 82 -5.311 1.248 -6.525 644 HD13 ILE 82 3HD1 ILE 82 -6.388 2.023 -7.687 645 H SER 83 H SER 83 -8.247 6.473 -6.189 646 HA SER 83 HA SER 83 -10.369 6.975 -8.171 647 HB2 SER 83 1HB SER 83 -10.702 7.098 -5.165 648 HB3 SER 83 2HB SER 83 -11.963 7.317 -6.379 649 HG SER 83 HG SER 83 -12.227 5.246 -6.044 650 H GLY 84 H GLY 84 -11.557 9.146 -7.417 651 HA2 GLY 84 1HA GLY 84 -11.415 11.421 -7.065 652 HA3 GLY 84 2HA GLY 84 -9.865 11.153 -6.280 653 H THR 85 H THR 85 -10.592 13.277 -8.105 654 HA THR 85 HA THR 85 -9.516 12.782 -10.684 655 HB THR 85 HB THR 85 -11.064 14.667 -10.154 656 HG1 THR 85 HG1 THR 85 -10.091 16.008 -11.645 657 HG21 THR 85 1HG2 THR 85 -9.827 16.777 -9.336 658 HG22 THR 85 2HG2 THR 85 -8.636 15.649 -8.688 659 HG23 THR 85 3HG2 THR 85 -10.310 15.577 -8.139 660 H SER 86 H SER 86 -7.654 14.347 -11.442 661 HA SER 86 HA SER 86 -5.271 13.378 -10.315 662 HB2 SER 86 1HB SER 86 -4.289 15.381 -11.719 663 HB3 SER 86 2HB SER 86 -5.010 13.993 -12.532 664 HG SER 86 HG SER 86 -6.228 15.446 -13.437 665 H ILE 87 H ILE 87 -6.703 16.638 -10.182 666 HA ILE 87 HA ILE 87 -4.876 17.990 -8.697 667 HB ILE 87 HB ILE 87 -7.878 18.083 -8.558 668 HG12 ILE 87 1HG1 ILE 87 -7.238 20.430 -9.543 669 HG13 ILE 87 2HG1 ILE 87 -5.705 19.645 -9.908 670 HG21 ILE 87 1HG2 ILE 87 -5.924 19.866 -7.113 671 HG22 ILE 87 2HG2 ILE 87 -7.650 20.184 -7.283 672 HG23 ILE 87 3HG2 ILE 87 -7.098 18.774 -6.379 673 HD11 ILE 87 1HD1 ILE 87 -7.711 19.699 -11.625 674 HD12 ILE 87 2HD1 ILE 87 -6.608 18.326 -11.515 675 HD13 ILE 87 3HD1 ILE 87 -8.186 18.256 -10.731 676 H ALA 88 H ALA 88 -7.666 16.375 -7.165 677 HA ALA 88 HA ALA 88 -6.845 16.554 -4.546 678 HB1 ALA 88 1HB ALA 88 -8.094 14.017 -4.888 679 HB2 ALA 88 2HB ALA 88 -8.777 15.509 -4.240 680 HB3 ALA 88 3HB ALA 88 -8.862 15.178 -5.970 681 H PHE 89 H PHE 89 -6.259 13.817 -6.757 682 HA PHE 89 HA PHE 89 -4.808 12.183 -5.090 683 HB2 PHE 89 1HB PHE 89 -5.372 11.342 -7.229 684 HB3 PHE 89 2HB PHE 89 -4.579 12.681 -8.053 685 HD1 PHE 89 HD1 PHE 89 -3.304 10.521 -5.313 686 HD2 PHE 89 HD2 PHE 89 -2.979 11.677 -9.396 687 HE1 PHE 89 HE1 PHE 89 -1.259 9.170 -5.529 688 HE2 PHE 89 HE2 PHE 89 -0.934 10.327 -9.619 689 HZ PHE 89 HZ PHE 89 -0.071 9.071 -7.684 690 H LYS 90 H LYS 90 -3.312 14.415 -7.438 691 HA LYS 90 HA LYS 90 -0.712 14.232 -6.516 692 HB2 LYS 90 1HB LYS 90 -2.243 16.326 -7.995 693 HB3 LYS 90 2HB LYS 90 -0.636 16.726 -7.402 694 HG2 LYS 90 1HG LYS 90 0.148 14.615 -8.590 695 HG3 LYS 90 2HG LYS 90 -1.423 14.628 -9.395 696 HD2 LYS 90 1HD LYS 90 0.175 17.138 -9.387 697 HD3 LYS 90 2HD LYS 90 0.691 15.824 -10.448 698 HE2 LYS 90 1HE LYS 90 -2.146 16.811 -10.396 699 HE3 LYS 90 2HE LYS 90 -0.917 17.565 -11.410 700 HZ1 LYS 90 1HZ LYS 90 -2.173 15.887 -12.618 701 HZ2 LYS 90 2HZ LYS 90 -1.706 14.703 -11.504 702 HZ3 LYS 90 3HZ LYS 90 -0.546 15.441 -12.489 703 H ASN 91 H ASN 91 -3.407 15.928 -5.153 704 HA ASN 91 HA ASN 91 -2.138 17.861 -3.611 705 HB2 ASN 91 1HB ASN 91 -4.677 17.322 -3.958 706 HB3 ASN 91 2HB ASN 91 -4.475 16.334 -2.514 707 HD21 ASN 91 1HD2 ASN 91 -5.649 19.128 -3.412 708 HD22 ASN 91 2HD2 ASN 91 -5.260 20.122 -2.053 709 H ILE 92 H ILE 92 -3.366 14.789 -2.285 710 HA ILE 92 HA ILE 92 -1.762 14.922 0.036 711 HB ILE 92 HB ILE 92 -3.810 13.616 0.010 712 HG12 ILE 92 1HG1 ILE 92 -2.868 11.440 0.926 713 HG13 ILE 92 2HG1 ILE 92 -1.277 12.039 0.470 714 HG21 ILE 92 1HG2 ILE 92 -2.405 11.707 -1.851 715 HG22 ILE 92 2HG2 ILE 92 -4.054 11.580 -1.240 716 HG23 ILE 92 3HG2 ILE 92 -3.624 12.878 -2.354 717 HD11 ILE 92 1HD1 ILE 92 -1.428 12.601 2.701 718 HD12 ILE 92 2HD1 ILE 92 -1.906 14.095 1.896 719 HD13 ILE 92 3HD1 ILE 92 -3.134 13.033 2.583 720 H ALA 93 H ALA 93 -1.288 13.460 -3.115 721 HA ALA 93 HA ALA 93 0.810 11.728 -2.595 722 HB1 ALA 93 1HB ALA 93 1.416 12.876 -5.061 723 HB2 ALA 93 2HB ALA 93 0.453 11.427 -4.767 724 HB3 ALA 93 3HB ALA 93 -0.338 12.997 -4.915 725 H SER 94 H SER 94 0.837 15.223 -3.001 726 HA SER 94 HA SER 94 3.667 15.489 -3.114 727 HB2 SER 94 1HB SER 94 1.835 17.179 -3.836 728 HB3 SER 94 2HB SER 94 1.827 17.661 -2.140 729 HG SER 94 HG SER 94 3.753 18.052 -4.093 730 H LYS 95 H LYS 95 1.501 14.836 -0.587 731 HA LYS 95 HA LYS 95 3.123 15.993 1.512 732 HB2 LYS 95 1HB LYS 95 0.766 14.113 1.735 733 HB3 LYS 95 2HB LYS 95 1.474 15.061 3.037 734 HG2 LYS 95 1HG LYS 95 0.315 16.352 0.591 735 HG3 LYS 95 2HG LYS 95 -0.679 15.919 1.984 736 HD2 LYS 95 1HD LYS 95 0.337 17.472 3.357 737 HD3 LYS 95 2HD LYS 95 1.818 17.507 2.397 738 HE2 LYS 95 1HE LYS 95 0.321 18.528 0.555 739 HE3 LYS 95 2HE LYS 95 -0.812 18.845 1.868 740 HZ1 LYS 95 1HZ LYS 95 0.748 20.701 1.339 741 HZ2 LYS 95 2HZ LYS 95 2.015 19.738 1.912 742 HZ3 LYS 95 3HZ LYS 95 0.769 20.206 2.957 743 H ILE 96 H ILE 96 2.380 12.772 0.251 744 HA ILE 96 HA ILE 96 4.002 11.406 2.172 745 HB ILE 96 HB ILE 96 3.156 10.293 -0.493 746 HG12 ILE 96 1HG1 ILE 96 1.130 11.172 0.383 747 HG13 ILE 96 2HG1 ILE 96 1.123 9.459 0.790 748 HG21 ILE 96 1HG2 ILE 96 4.607 8.808 0.589 749 HG22 ILE 96 2HG2 ILE 96 3.897 9.128 2.170 750 HG23 ILE 96 3HG2 ILE 96 2.995 8.203 0.970 751 HD11 ILE 96 1HD1 ILE 96 2.187 10.328 3.028 752 HD12 ILE 96 2HD1 ILE 96 1.393 11.830 2.553 753 HD13 ILE 96 3HD1 ILE 96 0.444 10.359 2.766 754 H ALA 97 H ALA 97 4.360 11.676 -1.370 755 HA ALA 97 HA ALA 97 6.842 10.700 -1.748 756 HB1 ALA 97 1HB ALA 97 5.126 12.148 -3.281 757 HB2 ALA 97 2HB ALA 97 6.491 13.257 -3.138 758 HB3 ALA 97 3HB ALA 97 6.736 11.634 -3.784 759 H ASN 98 H ASN 98 6.054 13.634 -0.071 760 HA ASN 98 HA ASN 98 8.865 14.440 0.038 761 HB2 ASN 98 1HB ASN 98 6.264 15.805 0.547 762 HB3 ASN 98 2HB ASN 98 7.677 16.374 1.431 763 HD21 ASN 98 1HD2 ASN 98 8.458 18.112 0.499 764 HD22 ASN 98 2HD2 ASN 98 8.643 18.364 -1.200 765 H GLU 99 H GLU 99 6.182 14.232 2.385 766 HA GLU 99 HA GLU 99 7.544 14.318 4.724 767 HB2 GLU 99 1HB GLU 99 5.172 12.630 3.955 768 HB3 GLU 99 2HB GLU 99 5.792 12.662 5.600 769 HG2 GLU 99 1HG GLU 99 5.002 15.158 4.137 770 HG3 GLU 99 2HG GLU 99 3.852 14.199 5.067 771 H LEU 100 H LEU 100 7.174 11.474 2.650 772 HA LEU 100 HA LEU 100 8.167 9.448 4.129 773 HB2 LEU 100 1HB LEU 100 8.679 10.173 1.266 774 HB3 LEU 100 2HB LEU 100 9.368 8.712 1.972 775 HG LEU 100 HG LEU 100 6.435 9.354 1.673 776 HD11 LEU 100 1HD1 LEU 100 6.915 6.999 0.398 777 HD12 LEU 100 2HD1 LEU 100 8.395 7.895 0.060 778 HD13 LEU 100 3HD1 LEU 100 6.831 8.575 -0.388 779 HD21 LEU 100 1HD2 LEU 100 6.203 6.947 2.443 780 HD22 LEU 100 2HD2 LEU 100 6.616 8.135 3.679 781 HD23 LEU 100 3HD2 LEU 100 7.865 7.078 3.019 782 H LYS 101 H LYS 101 9.645 10.020 5.696 783 HA LYS 101 HA LYS 101 12.077 11.398 5.092 784 HB2 LYS 101 1HB LYS 101 10.916 10.066 7.501 785 HB3 LYS 101 2HB LYS 101 12.641 10.410 7.480 786 HG2 LYS 101 1HG LYS 101 12.034 12.796 6.929 787 HG3 LYS 101 2HG LYS 101 10.364 12.360 7.297 788 HD2 LYS 101 1HD LYS 101 12.689 12.043 9.194 789 HD3 LYS 101 2HD LYS 101 11.548 13.389 9.214 790 HE2 LYS 101 1HE LYS 101 9.722 11.888 9.696 791 HE3 LYS 101 2HE LYS 101 10.783 10.490 9.533 792 HZ1 LYS 101 1HZ LYS 101 10.742 10.769 11.789 793 HZ2 LYS 101 2HZ LYS 101 10.619 12.453 11.709 794 HZ3 LYS 101 3HZ LYS 101 12.102 11.698 11.404 795 H LEU 102 H LEU 102 12.697 9.940 3.298 796 HA LEU 102 HA LEU 102 14.250 7.662 4.327 797 HB2 LEU 102 1HB LEU 102 12.974 7.728 1.606 798 HB3 LEU 102 2HB LEU 102 13.736 6.359 2.415 799 HG LEU 102 HG LEU 102 11.311 7.579 3.646 800 HD11 LEU 102 1HD1 LEU 102 9.874 6.138 2.284 801 HD12 LEU 102 2HD1 LEU 102 11.264 5.693 1.294 802 HD13 LEU 102 3HD1 LEU 102 10.689 7.360 1.307 803 HD21 LEU 102 1HD2 LEU 102 10.935 5.121 4.137 804 HD22 LEU 102 2HD2 LEU 102 12.323 5.875 4.921 805 HD23 LEU 102 3HD2 LEU 102 12.560 4.848 3.507 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 17.957 17.468 -30.023 2 HA2 GLY 1 1HA GLY 1 18.182 17.662 -32.922 3 HA3 GLY 1 2HA GLY 1 18.477 16.230 -31.948 4 H SER 2 H SER 2 16.700 17.020 -34.368 5 HA SER 2 HA SER 2 14.018 16.605 -33.534 6 HB2 SER 2 1HB SER 2 14.678 17.700 -35.682 7 HB3 SER 2 2HB SER 2 15.199 16.125 -36.280 8 HG SER 2 HG SER 2 12.997 15.422 -35.854 9 H SER 3 H SER 3 12.887 14.787 -33.206 10 HA SER 3 HA SER 3 13.697 12.252 -34.297 11 HB2 SER 3 1HB SER 3 15.213 12.320 -32.402 12 HB3 SER 3 2HB SER 3 13.887 12.729 -31.313 13 HG SER 3 HG SER 3 14.651 10.405 -31.563 14 H GLY 4 H GLY 4 12.130 10.581 -33.951 15 HA2 GLY 4 1HA GLY 4 9.462 11.682 -33.521 16 HA3 GLY 4 2HA GLY 4 9.842 10.122 -34.237 17 H SER 5 H SER 5 8.597 11.620 -31.562 18 HA SER 5 HA SER 5 9.497 9.671 -29.612 19 HB2 SER 5 1HB SER 5 7.631 12.038 -29.467 20 HB3 SER 5 2HB SER 5 7.856 10.931 -28.114 21 HG SER 5 HG SER 5 10.139 11.983 -29.322 22 H SER 6 H SER 6 7.664 8.750 -28.160 23 HA SER 6 HA SER 6 5.145 8.165 -29.286 24 HB2 SER 6 1HB SER 6 5.540 5.726 -29.745 25 HB3 SER 6 2HB SER 6 6.328 6.811 -30.890 26 HG SER 6 HG SER 6 8.069 5.763 -30.375 27 H GLY 7 H GLY 7 3.894 6.682 -27.977 28 HA2 GLY 7 1HA GLY 7 3.574 5.333 -26.053 29 HA3 GLY 7 2HA GLY 7 5.129 5.879 -25.443 30 H ARG 8 H ARG 8 2.066 5.939 -24.646 31 HA ARG 8 HA ARG 8 1.991 8.765 -23.844 32 HB2 ARG 8 1HB ARG 8 -0.397 8.408 -23.418 33 HB3 ARG 8 2HB ARG 8 0.028 7.981 -25.069 34 HG2 ARG 8 1HG ARG 8 0.199 5.581 -24.224 35 HG3 ARG 8 2HG ARG 8 -0.634 6.163 -22.781 36 HD2 ARG 8 1HD ARG 8 -2.519 6.873 -24.089 37 HD3 ARG 8 2HD ARG 8 -1.671 6.503 -25.590 38 HE ARG 8 HE ARG 8 -2.991 4.635 -23.826 39 HH11 ARG 8 1HH1 ARG 8 -0.684 5.067 -26.396 40 HH12 ARG 8 2HH1 ARG 8 -0.805 3.432 -26.956 41 HH21 ARG 8 1HH2 ARG 8 -3.160 2.480 -24.554 42 HH22 ARG 8 2HH2 ARG 8 -2.215 1.961 -25.908 43 H PHE 9 H PHE 9 1.268 5.532 -22.524 44 HA PHE 9 HA PHE 9 1.226 6.456 -19.823 45 HB2 PHE 9 1HB PHE 9 0.150 4.317 -20.942 46 HB3 PHE 9 2HB PHE 9 1.683 3.579 -20.491 47 HD1 PHE 9 HD2 PHE 9 -0.895 5.797 -18.949 48 HD2 PHE 9 HD1 PHE 9 1.731 2.480 -18.487 49 HE1 PHE 9 HE2 PHE 9 -1.741 5.451 -16.665 50 HE2 PHE 9 HE1 PHE 9 0.889 2.127 -16.202 51 HZ PHE 9 HZ PHE 9 -0.848 3.614 -15.288 52 H THR 10 H THR 10 2.883 6.815 -18.510 53 HA THR 10 HA THR 10 5.453 5.494 -19.080 54 HB THR 10 HB THR 10 6.633 7.533 -18.359 55 HG1 THR 10 HG1 THR 10 5.551 9.312 -17.762 56 HG21 THR 10 1HG2 THR 10 5.198 8.890 -20.393 57 HG22 THR 10 2HG2 THR 10 5.185 7.171 -20.789 58 HG23 THR 10 3HG2 THR 10 6.717 8.006 -20.533 59 H TRP 11 H TRP 11 3.534 7.209 -16.630 60 HA TRP 11 HA TRP 11 3.644 7.157 -14.335 61 HB2 TRP 11 1HB TRP 11 2.329 5.121 -15.051 62 HB3 TRP 11 2HB TRP 11 3.799 4.179 -14.820 63 HD1 TRP 11 HD1 TRP 11 3.572 6.795 -12.216 64 HE1 TRP 11 HE1 TRP 11 2.748 5.786 -9.996 65 HE3 TRP 11 HE3 TRP 11 1.978 2.250 -13.931 66 HZ2 TRP 11 HZ2 TRP 11 1.578 3.382 -9.091 67 HZ3 TRP 11 HZ3 TRP 11 1.019 0.653 -12.324 68 HH2 TRP 11 HH2 TRP 11 0.825 1.209 -9.954 69 H SER 12 H SER 12 6.076 7.869 -15.028 70 HA SER 12 HA SER 12 8.106 6.035 -14.150 71 HB2 SER 12 1HB SER 12 9.657 7.885 -14.527 72 HB3 SER 12 2HB SER 12 8.547 7.740 -15.889 73 HG SER 12 HG SER 12 7.288 9.419 -14.805 74 H MET 13 H MET 13 9.785 7.021 -12.518 75 HA MET 13 HA MET 13 8.342 8.136 -10.211 76 HB2 MET 13 1HB MET 13 8.637 5.680 -9.956 77 HB3 MET 13 2HB MET 13 10.377 5.905 -10.072 78 HG2 MET 13 1HG MET 13 9.533 5.644 -7.757 79 HG3 MET 13 2HG MET 13 10.431 7.134 -8.036 80 HE1 MET 13 1HE MET 13 8.432 8.908 -5.708 81 HE2 MET 13 2HE MET 13 8.122 7.225 -5.286 82 HE3 MET 13 3HE MET 13 9.712 7.707 -5.878 83 H LYS 14 H LYS 14 9.542 9.458 -8.836 84 HA LYS 14 HA LYS 14 12.125 10.341 -9.940 85 HB2 LYS 14 1HB LYS 14 10.060 11.855 -8.334 86 HB3 LYS 14 2HB LYS 14 11.644 12.495 -8.752 87 HG2 LYS 14 1HG LYS 14 9.670 11.563 -10.815 88 HG3 LYS 14 2HG LYS 14 9.726 13.222 -10.213 89 HD2 LYS 14 1HD LYS 14 12.229 11.945 -11.223 90 HD3 LYS 14 2HD LYS 14 11.038 12.545 -12.379 91 HE2 LYS 14 1HE LYS 14 12.079 14.236 -10.123 92 HE3 LYS 14 2HE LYS 14 12.900 14.142 -11.680 93 HZ1 LYS 14 1HZ LYS 14 10.035 14.733 -11.676 94 HZ2 LYS 14 2HZ LYS 14 11.246 15.269 -12.728 95 HZ3 LYS 14 3HZ LYS 14 11.092 15.962 -11.193 96 H THR 15 H THR 15 10.470 10.480 -6.782 97 HA THR 15 HA THR 15 12.742 10.610 -5.203 98 HB THR 15 HB THR 15 10.074 9.354 -4.535 99 HG1 THR 15 HG1 THR 15 11.150 11.967 -4.326 100 HG21 THR 15 1HG2 THR 15 10.737 9.786 -2.175 101 HG22 THR 15 2HG2 THR 15 12.359 10.181 -2.743 102 HG23 THR 15 3HG2 THR 15 11.718 8.553 -2.965 103 H THR 16 H THR 16 14.226 9.192 -4.508 104 HA THR 16 HA THR 16 13.730 6.321 -4.888 105 HB THR 16 HB THR 16 15.902 5.939 -5.827 106 HG1 THR 16 HG1 THR 16 17.444 7.485 -5.937 107 HG21 THR 16 1HG2 THR 16 15.017 8.344 -7.369 108 HG22 THR 16 2HG2 THR 16 13.955 6.941 -7.255 109 HG23 THR 16 3HG2 THR 16 15.564 6.774 -7.957 110 H SER 17 H SER 17 14.903 4.938 -3.500 111 HA SER 17 HA SER 17 16.330 6.252 -1.292 112 HB2 SER 17 1HB SER 17 14.037 5.807 -0.534 113 HB3 SER 17 2HB SER 17 14.210 4.111 -0.984 114 HG SER 17 HG SER 17 14.587 4.593 1.281 115 H SER 18 H SER 18 18.282 5.413 -1.050 116 HA SER 18 HA SER 18 18.932 2.869 -2.289 117 HB2 SER 18 1HB SER 18 21.281 3.475 -1.565 118 HB3 SER 18 2HB SER 18 20.520 4.618 -2.672 119 HG SER 18 HG SER 18 21.631 5.459 -0.697 120 H MET 19 H MET 19 17.695 1.528 -0.849 121 HA MET 19 HA MET 19 19.254 0.452 1.260 122 HB2 MET 19 1HB MET 19 17.614 0.884 3.099 123 HB3 MET 19 2HB MET 19 18.482 2.314 2.558 124 HG2 MET 19 1HG MET 19 16.404 2.653 1.026 125 HG3 MET 19 2HG MET 19 15.619 1.580 2.183 126 HE1 MET 19 1HE MET 19 14.542 3.796 4.889 127 HE2 MET 19 2HE MET 19 13.857 3.182 3.385 128 HE3 MET 19 3HE MET 19 14.852 2.131 4.394 129 H ASP 20 H ASP 20 17.937 -1.256 2.498 130 HA ASP 20 HA ASP 20 16.822 -3.039 0.643 131 HB2 ASP 20 1HB ASP 20 16.969 -2.947 3.633 132 HB3 ASP 20 2HB ASP 20 15.959 -4.164 2.857 133 HA PRO 21 HA PRO 21 12.616 -1.821 0.300 134 HB2 PRO 21 1HB PRO 21 11.453 -4.225 -0.188 135 HB3 PRO 21 2HB PRO 21 12.444 -3.377 -1.382 136 HG2 PRO 21 1HG PRO 21 13.191 -5.627 0.445 137 HG3 PRO 21 2HG PRO 21 13.588 -5.398 -1.268 138 HD2 PRO 21 1HD PRO 21 15.343 -4.851 0.720 139 HD3 PRO 21 2HD PRO 21 15.311 -3.940 -0.803 140 H SER 22 H SER 22 13.690 -3.957 2.750 141 HA SER 22 HA SER 22 11.221 -4.519 4.015 142 HB2 SER 22 1HB SER 22 14.062 -4.491 5.042 143 HB3 SER 22 2HB SER 22 12.689 -4.987 6.030 144 HG SER 22 HG SER 22 12.455 -6.764 4.851 145 H ASP 23 H ASP 23 13.789 -2.225 4.951 146 HA ASP 23 HA ASP 23 12.346 -0.935 6.964 147 HB2 ASP 23 1HB ASP 23 14.819 -0.750 6.549 148 HB3 ASP 23 2HB ASP 23 14.455 0.337 5.212 149 H MET 24 H MET 24 12.472 -0.365 3.496 150 HA MET 24 HA MET 24 11.269 2.113 3.317 151 HB2 MET 24 1HB MET 24 11.376 -0.281 1.552 152 HB3 MET 24 2HB MET 24 10.209 0.971 1.151 153 HG2 MET 24 1HG MET 24 13.006 1.792 1.707 154 HG3 MET 24 2HG MET 24 12.658 0.981 0.181 155 HE1 MET 24 1HE MET 24 9.882 2.620 -1.235 156 HE2 MET 24 2HE MET 24 11.326 3.201 -2.064 157 HE3 MET 24 3HE MET 24 11.268 1.549 -1.449 158 H MET 25 H MET 25 9.854 -0.968 4.113 159 HA MET 25 HA MET 25 7.136 -0.083 3.766 160 HB2 MET 25 1HB MET 25 8.442 -2.568 4.815 161 HB3 MET 25 2HB MET 25 6.733 -2.284 5.120 162 HG2 MET 25 1HG MET 25 6.725 -1.844 2.509 163 HG3 MET 25 2HG MET 25 8.136 -2.896 2.586 164 HE1 MET 25 1HE MET 25 4.436 -3.068 1.817 165 HE2 MET 25 2HE MET 25 3.759 -3.982 3.165 166 HE3 MET 25 3HE MET 25 4.465 -2.389 3.445 167 H ARG 26 H ARG 26 9.439 -0.343 6.394 168 HA ARG 26 HA ARG 26 7.595 0.048 8.512 169 HB2 ARG 26 1HB ARG 26 10.573 0.534 8.347 170 HB3 ARG 26 2HB ARG 26 9.638 0.651 9.832 171 HG2 ARG 26 1HG ARG 26 8.980 -1.721 9.549 172 HG3 ARG 26 2HG ARG 26 10.050 -1.808 8.148 173 HD2 ARG 26 1HD ARG 26 11.972 -1.445 9.472 174 HD3 ARG 26 2HD ARG 26 11.010 -0.937 10.860 175 HE ARG 26 HE ARG 26 10.542 -3.650 9.994 176 HH11 ARG 26 1HH1 ARG 26 12.399 -1.544 12.052 177 HH12 ARG 26 2HH1 ARG 26 12.825 -2.797 13.170 178 HH21 ARG 26 1HH2 ARG 26 11.095 -5.308 11.459 179 HH22 ARG 26 2HH2 ARG 26 12.083 -4.938 12.832 180 H GLU 27 H GLU 27 9.397 2.217 6.431 181 HA GLU 27 HA GLU 27 8.828 4.572 7.964 182 HB2 GLU 27 1HB GLU 27 10.797 4.310 6.429 183 HB3 GLU 27 2HB GLU 27 9.682 4.399 5.072 184 HG2 GLU 27 1HG GLU 27 10.368 6.565 5.179 185 HG3 GLU 27 2HG GLU 27 8.951 6.636 6.224 186 H ILE 28 H ILE 28 7.764 3.538 4.717 187 HA ILE 28 HA ILE 28 5.926 5.367 4.064 188 HB ILE 28 HB ILE 28 5.695 2.378 3.814 189 HG12 ILE 28 1HG1 ILE 28 6.248 4.569 1.801 190 HG13 ILE 28 2HG1 ILE 28 7.463 3.522 2.526 191 HG21 ILE 28 1HG2 ILE 28 3.730 4.488 3.085 192 HG22 ILE 28 2HG2 ILE 28 3.947 3.123 1.990 193 HG23 ILE 28 3HG2 ILE 28 3.461 2.843 3.661 194 HD11 ILE 28 1HD1 ILE 28 5.757 1.692 1.503 195 HD12 ILE 28 2HD1 ILE 28 5.586 3.007 0.339 196 HD13 ILE 28 3HD1 ILE 28 7.177 2.318 0.665 197 H ARG 29 H ARG 29 4.931 2.468 5.896 198 HA ARG 29 HA ARG 29 2.393 3.320 6.580 199 HB2 ARG 29 1HB ARG 29 4.314 1.503 8.031 200 HB3 ARG 29 2HB ARG 29 2.661 1.762 8.575 201 HG2 ARG 29 1HG ARG 29 1.758 0.755 6.651 202 HG3 ARG 29 2HG ARG 29 3.304 0.814 5.801 203 HD2 ARG 29 1HD ARG 29 2.520 -1.433 6.795 204 HD3 ARG 29 2HD ARG 29 4.194 -0.938 7.038 205 HE ARG 29 HE ARG 29 2.408 -0.156 9.159 206 HH11 ARG 29 1HH1 ARG 29 4.506 -2.647 7.928 207 HH12 ARG 29 2HH1 ARG 29 4.774 -3.370 9.479 208 HH21 ARG 29 1HH2 ARG 29 2.754 -1.099 11.207 209 HH22 ARG 29 2HH2 ARG 29 3.776 -2.489 11.344 210 H LYS 30 H LYS 30 5.469 4.124 8.034 211 HA LYS 30 HA LYS 30 4.509 5.229 10.443 212 HB2 LYS 30 1HB LYS 30 6.934 4.636 9.707 213 HB3 LYS 30 2HB LYS 30 6.956 6.265 9.046 214 HG2 LYS 30 1HG LYS 30 6.170 6.966 11.414 215 HG3 LYS 30 2HG LYS 30 6.785 5.383 11.893 216 HD2 LYS 30 1HD LYS 30 8.641 6.715 12.209 217 HD3 LYS 30 2HD LYS 30 8.909 6.123 10.568 218 HE2 LYS 30 1HE LYS 30 7.509 8.722 11.138 219 HE3 LYS 30 2HE LYS 30 9.261 8.612 10.974 220 HZ1 LYS 30 1HZ LYS 30 7.179 8.207 8.936 221 HZ2 LYS 30 2HZ LYS 30 8.673 7.433 8.764 222 HZ3 LYS 30 3HZ LYS 30 8.600 9.121 8.848 223 H VAL 31 H VAL 31 5.363 6.768 7.349 224 HA VAL 31 HA VAL 31 4.606 9.381 8.142 225 HB VAL 31 HB VAL 31 5.063 8.108 5.457 226 HG11 VAL 31 1HG1 VAL 31 4.132 10.914 6.035 227 HG12 VAL 31 2HG1 VAL 31 4.878 10.424 4.512 228 HG13 VAL 31 3HG1 VAL 31 3.349 9.704 5.018 229 HG21 VAL 31 1HG2 VAL 31 6.530 10.098 7.165 230 HG22 VAL 31 2HG2 VAL 31 7.084 8.526 6.592 231 HG23 VAL 31 3HG2 VAL 31 6.903 9.864 5.458 232 H LEU 32 H LEU 32 2.922 6.815 6.373 233 HA LEU 32 HA LEU 32 0.630 8.204 5.645 234 HB2 LEU 32 1HB LEU 32 1.171 5.330 6.280 235 HB3 LEU 32 2HB LEU 32 -0.467 5.869 5.915 236 HG LEU 32 HG LEU 32 1.811 6.379 4.026 237 HD11 LEU 32 1HD1 LEU 32 0.007 4.078 3.563 238 HD12 LEU 32 2HD1 LEU 32 1.296 3.871 4.749 239 HD13 LEU 32 3HD1 LEU 32 1.689 4.318 3.089 240 HD21 LEU 32 1HD2 LEU 32 -0.545 7.485 3.946 241 HD22 LEU 32 2HD2 LEU 32 -1.053 5.919 3.313 242 HD23 LEU 32 3HD2 LEU 32 0.180 6.854 2.467 243 H GLY 33 H GLY 33 1.523 6.765 8.721 244 HA2 GLY 33 1HA GLY 33 -1.075 7.063 9.902 245 HA3 GLY 33 2HA GLY 33 0.418 6.681 10.748 246 H ALA 34 H ALA 34 1.785 9.058 9.663 247 HA ALA 34 HA ALA 34 1.191 10.859 11.751 248 HB1 ALA 34 1HB ALA 34 2.800 12.345 10.693 249 HB2 ALA 34 2HB ALA 34 3.407 10.689 10.720 250 HB3 ALA 34 3HB ALA 34 2.760 11.367 9.226 251 H ASN 35 H ASN 35 0.287 10.782 8.341 252 HA ASN 35 HA ASN 35 -1.065 13.334 8.496 253 HB2 ASN 35 1HB ASN 35 -0.830 11.263 6.309 254 HB3 ASN 35 2HB ASN 35 -1.774 12.740 6.138 255 HD21 ASN 35 1HD2 ASN 35 1.336 11.334 6.091 256 HD22 ASN 35 2HD2 ASN 35 2.229 12.767 5.724 257 H ASN 36 H ASN 36 -1.806 10.404 9.674 258 HA ASN 36 HA ASN 36 -3.722 9.448 10.443 259 HB2 ASN 36 1HB ASN 36 -5.175 11.927 9.511 260 HB3 ASN 36 2HB ASN 36 -5.665 10.804 10.777 261 HD21 ASN 36 1HD2 ASN 36 -4.879 13.783 10.542 262 HD22 ASN 36 2HD2 ASN 36 -3.841 14.015 11.903 263 H CYS 37 H CYS 37 -2.873 8.748 7.905 264 HA CYS 37 HA CYS 37 -5.288 8.644 6.255 265 HB2 CYS 37 1HB CYS 37 -2.432 7.853 5.650 266 HB3 CYS 37 2HB CYS 37 -3.769 7.711 4.515 267 HG CYS 37 HG CYS 37 -3.049 10.745 5.872 268 H ASP 38 H ASP 38 -5.690 6.517 5.122 269 HA ASP 38 HA ASP 38 -5.454 4.340 7.089 270 HB2 ASP 38 1HB ASP 38 -7.592 5.147 5.175 271 HB3 ASP 38 2HB ASP 38 -7.401 3.429 5.516 272 H TYR 39 H TYR 39 -3.992 2.855 6.602 273 HA TYR 39 HA TYR 39 -3.550 2.196 3.763 274 HB2 TYR 39 1HB TYR 39 -1.219 1.633 4.375 275 HB3 TYR 39 2HB TYR 39 -1.597 3.326 4.672 276 HD1 TYR 39 HD2 TYR 39 -0.839 0.095 6.225 277 HD2 TYR 39 HD1 TYR 39 -1.706 4.200 6.931 278 HE1 TYR 39 HE2 TYR 39 -0.075 -0.150 8.550 279 HE2 TYR 39 HE1 TYR 39 -0.943 3.967 9.258 280 HH TYR 39 HH TYR 39 0.919 1.855 10.379 281 H GLU 40 H GLU 40 -4.102 0.198 3.228 282 HA GLU 40 HA GLU 40 -4.165 -1.856 5.340 283 HB2 GLU 40 1HB GLU 40 -6.371 -1.100 4.259 284 HB3 GLU 40 2HB GLU 40 -5.812 -1.947 2.823 285 HG2 GLU 40 1HG GLU 40 -5.759 -4.032 3.996 286 HG3 GLU 40 2HG GLU 40 -6.108 -3.231 5.527 287 H GLN 41 H GLN 41 -3.670 -4.041 4.692 288 HA GLN 41 HA GLN 41 -1.432 -4.133 2.888 289 HB2 GLN 41 1HB GLN 41 -1.346 -5.399 4.957 290 HB3 GLN 41 2HB GLN 41 -2.790 -6.295 4.504 291 HG2 GLN 41 1HG GLN 41 -1.680 -7.615 3.016 292 HG3 GLN 41 2HG GLN 41 -0.454 -6.394 2.677 293 HE21 GLN 41 1HE2 GLN 41 1.360 -7.523 3.061 294 HE22 GLN 41 2HE2 GLN 41 1.770 -8.235 4.581 295 H ARG 42 H ARG 42 -1.855 -4.107 0.768 296 HA ARG 42 HA ARG 42 -4.177 -5.498 -0.293 297 HB2 ARG 42 1HB ARG 42 -2.231 -3.498 -1.326 298 HB3 ARG 42 2HB ARG 42 -2.998 -4.562 -2.498 299 HG2 ARG 42 1HG ARG 42 -4.733 -3.189 -0.520 300 HG3 ARG 42 2HG ARG 42 -4.042 -2.234 -1.833 301 HD2 ARG 42 1HD ARG 42 -5.976 -2.924 -2.832 302 HD3 ARG 42 2HD ARG 42 -4.912 -4.253 -3.291 303 HE ARG 42 HE ARG 42 -6.303 -4.705 -0.822 304 HH11 ARG 42 1HH1 ARG 42 -6.494 -4.940 -4.290 305 HH12 ARG 42 2HH1 ARG 42 -7.682 -6.202 -4.269 306 HH21 ARG 42 1HH2 ARG 42 -7.867 -6.365 -0.781 307 HH22 ARG 42 2HH2 ARG 42 -8.463 -7.010 -2.273 308 H GLU 43 H GLU 43 -0.814 -5.348 -1.459 309 HA GLU 43 HA GLU 43 -0.984 -8.236 -2.012 310 HB2 GLU 43 1HB GLU 43 0.895 -6.306 -3.362 311 HB3 GLU 43 2HB GLU 43 0.469 -7.935 -3.866 312 HG2 GLU 43 1HG GLU 43 -1.556 -5.729 -3.742 313 HG3 GLU 43 2HG GLU 43 -0.548 -6.004 -5.162 314 H ARG 44 H ARG 44 1.498 -9.022 -2.346 315 HA ARG 44 HA ARG 44 2.560 -9.461 0.123 316 HB2 ARG 44 1HB ARG 44 3.281 -10.639 -1.912 317 HB3 ARG 44 2HB ARG 44 4.121 -9.192 -2.452 318 HG2 ARG 44 1HG ARG 44 5.493 -9.353 -0.338 319 HG3 ARG 44 2HG ARG 44 4.787 -10.955 -0.116 320 HD2 ARG 44 1HD ARG 44 5.583 -11.260 -2.616 321 HD3 ARG 44 2HD ARG 44 6.717 -9.988 -2.164 322 HE ARG 44 HE ARG 44 7.851 -11.507 -0.884 323 HH11 ARG 44 1HH1 ARG 44 4.702 -12.784 -1.641 324 HH12 ARG 44 2HH1 ARG 44 5.036 -14.351 -0.981 325 HH21 ARG 44 1HH2 ARG 44 8.302 -13.566 -0.012 326 HH22 ARG 44 2HH2 ARG 44 7.083 -14.795 -0.054 327 H PHE 45 H PHE 45 3.446 -6.832 -2.093 328 HA PHE 45 HA PHE 45 4.540 -5.374 0.212 329 HB2 PHE 45 1HB PHE 45 5.864 -6.004 -2.381 330 HB3 PHE 45 2HB PHE 45 6.158 -4.418 -1.677 331 HD1 PHE 45 HD2 PHE 45 7.015 -4.326 0.721 332 HD2 PHE 45 HD1 PHE 45 7.036 -7.869 -1.639 333 HE1 PHE 45 HE2 PHE 45 8.721 -5.299 2.203 334 HE2 PHE 45 HE1 PHE 45 8.741 -8.848 -0.160 335 HZ PHE 45 HZ PHE 45 9.587 -7.562 1.764 336 H LEU 46 H LEU 46 1.948 -5.176 -0.991 337 HA LEU 46 HA LEU 46 2.090 -2.402 -1.961 338 HB2 LEU 46 1HB LEU 46 1.583 -3.978 -3.803 339 HB3 LEU 46 2HB LEU 46 0.151 -4.503 -2.920 340 HG LEU 46 HG LEU 46 -0.993 -2.532 -3.349 341 HD11 LEU 46 1HD1 LEU 46 1.721 -1.339 -3.615 342 HD12 LEU 46 2HD1 LEU 46 0.328 -0.783 -2.689 343 HD13 LEU 46 3HD1 LEU 46 0.366 -0.569 -4.439 344 HD21 LEU 46 1HD2 LEU 46 -1.051 -2.358 -5.661 345 HD22 LEU 46 2HD2 LEU 46 -0.344 -3.954 -5.407 346 HD23 LEU 46 3HD2 LEU 46 0.690 -2.587 -5.824 347 H LEU 47 H LEU 47 0.854 -1.003 -0.877 348 HA LEU 47 HA LEU 47 -1.242 -2.088 0.888 349 HB2 LEU 47 1HB LEU 47 0.523 0.307 1.374 350 HB3 LEU 47 2HB LEU 47 -0.756 -0.266 2.443 351 HG LEU 47 HG LEU 47 1.552 -2.048 1.760 352 HD11 LEU 47 1HD1 LEU 47 1.523 0.237 3.704 353 HD12 LEU 47 2HD1 LEU 47 2.742 -0.176 2.498 354 HD13 LEU 47 3HD1 LEU 47 2.555 -1.174 3.940 355 HD21 LEU 47 1HD2 LEU 47 0.620 -3.388 3.266 356 HD22 LEU 47 2HD2 LEU 47 -0.760 -2.291 3.311 357 HD23 LEU 47 3HD2 LEU 47 0.562 -2.094 4.462 358 H PHE 48 H PHE 48 -3.150 -0.913 1.105 359 HA PHE 48 HA PHE 48 -3.688 0.910 -1.113 360 HB2 PHE 48 1HB PHE 48 -5.151 -1.122 -0.520 361 HB3 PHE 48 2HB PHE 48 -5.731 -0.150 0.828 362 HD1 PHE 48 HD2 PHE 48 -5.481 -0.277 -2.859 363 HD2 PHE 48 HD1 PHE 48 -7.368 1.501 0.517 364 HE1 PHE 48 HE2 PHE 48 -7.122 0.795 -4.345 365 HE2 PHE 48 HE1 PHE 48 -9.013 2.575 -0.964 366 HZ PHE 48 HZ PHE 48 -8.891 2.224 -3.399 367 H CYS 49 H CYS 49 -3.206 2.967 -0.663 368 HA CYS 49 HA CYS 49 -3.579 4.031 2.011 369 HB2 CYS 49 1HB CYS 49 -2.632 5.471 -0.472 370 HB3 CYS 49 2HB CYS 49 -2.463 6.012 1.194 371 HG CYS 49 HG CYS 49 -1.055 3.038 0.484 372 H VAL 50 H VAL 50 -5.126 5.447 2.639 373 HA VAL 50 HA VAL 50 -6.972 6.502 0.617 374 HB VAL 50 HB VAL 50 -7.779 4.956 3.079 375 HG11 VAL 50 1HG1 VAL 50 -10.138 5.540 2.159 376 HG12 VAL 50 2HG1 VAL 50 -9.282 6.714 3.161 377 HG13 VAL 50 3HG1 VAL 50 -9.312 6.906 1.408 378 HG21 VAL 50 1HG2 VAL 50 -9.211 3.823 1.232 379 HG22 VAL 50 2HG2 VAL 50 -8.038 4.539 0.128 380 HG23 VAL 50 3HG2 VAL 50 -7.502 3.414 1.375 381 H HIS 51 H HIS 51 -7.441 8.584 0.924 382 HA HIS 51 HA HIS 51 -7.241 9.723 3.616 383 HB2 HIS 51 1HB HIS 51 -5.113 10.038 2.126 384 HB3 HIS 51 2HB HIS 51 -6.092 11.248 1.302 385 HD1 HIS 51 HD1 HIS 51 -4.867 13.304 2.098 386 HD2 HIS 51 HD2 HIS 51 -6.068 10.832 5.214 387 HE1 HIS 51 HE1 HIS 51 -4.442 14.617 4.200 388 HE2 HIS 51 HE2 HIS 51 -5.097 13.069 6.076 389 H GLY 52 H GLY 52 -8.317 11.804 3.834 390 HA2 GLY 52 1HA GLY 52 -10.195 12.456 1.674 391 HA3 GLY 52 2HA GLY 52 -10.846 12.063 3.258 392 H ASP 53 H ASP 53 -8.709 14.304 1.549 393 HA ASP 53 HA ASP 53 -8.823 16.198 3.751 394 HB2 ASP 53 1HB ASP 53 -6.790 15.688 2.177 395 HB3 ASP 53 2HB ASP 53 -7.592 16.818 1.090 396 H GLY 54 H GLY 54 -11.162 15.406 1.938 397 HA2 GLY 54 1HA GLY 54 -12.136 18.138 1.601 398 HA3 GLY 54 2HA GLY 54 -12.106 17.126 0.164 399 H HIS 55 H HIS 55 -14.061 16.393 -0.297 400 HA HIS 55 HA HIS 55 -15.881 15.739 1.920 401 HB2 HIS 55 1HB HIS 55 -16.777 16.059 -0.926 402 HB3 HIS 55 2HB HIS 55 -17.696 16.290 0.559 403 HD1 HIS 55 HD1 HIS 55 -18.244 18.669 0.866 404 HD2 HIS 55 HD2 HIS 55 -14.507 18.173 -0.880 405 HE1 HIS 55 HE1 HIS 55 -17.343 20.993 0.535 406 HE2 HIS 55 HE2 HIS 55 -15.118 20.671 -0.600 407 H ALA 56 H ALA 56 -17.517 13.976 1.289 408 HA ALA 56 HA ALA 56 -16.091 11.573 0.859 409 HB1 ALA 56 1HB ALA 56 -18.407 10.554 0.784 410 HB2 ALA 56 2HB ALA 56 -17.998 11.457 2.244 411 HB3 ALA 56 3HB ALA 56 -19.029 12.189 1.015 412 H GLU 57 H GLU 57 -18.442 13.323 -1.163 413 HA GLU 57 HA GLU 57 -18.521 11.584 -3.319 414 HB2 GLU 57 1HB GLU 57 -18.843 13.885 -4.617 415 HB3 GLU 57 2HB GLU 57 -20.088 13.225 -3.566 416 HG2 GLU 57 1HG GLU 57 -19.717 14.775 -1.917 417 HG3 GLU 57 2HG GLU 57 -18.053 15.070 -2.419 418 H ASN 58 H ASN 58 -15.955 13.577 -2.246 419 HA ASN 58 HA ASN 58 -14.444 12.936 -4.689 420 HB2 ASN 58 1HB ASN 58 -13.165 15.160 -3.921 421 HB3 ASN 58 2HB ASN 58 -14.540 15.194 -5.021 422 HD21 ASN 58 1HD2 ASN 58 -16.627 15.683 -4.140 423 HD22 ASN 58 2HD2 ASN 58 -16.756 16.666 -2.725 424 H LEU 59 H LEU 59 -14.186 11.088 -2.938 425 HA LEU 59 HA LEU 59 -12.168 11.677 -0.946 426 HB2 LEU 59 1HB LEU 59 -14.135 9.990 -0.795 427 HB3 LEU 59 2HB LEU 59 -13.061 8.922 -1.697 428 HG LEU 59 HG LEU 59 -13.142 8.698 0.858 429 HD11 LEU 59 1HD1 LEU 59 -10.873 8.654 -0.990 430 HD12 LEU 59 2HD1 LEU 59 -11.444 7.428 0.141 431 HD13 LEU 59 3HD1 LEU 59 -10.424 8.748 0.713 432 HD21 LEU 59 1HD2 LEU 59 -12.913 11.223 1.139 433 HD22 LEU 59 2HD2 LEU 59 -11.206 10.992 0.763 434 HD23 LEU 59 3HD2 LEU 59 -11.914 10.201 2.172 435 H VAL 60 H VAL 60 -10.065 10.880 -0.925 436 HA VAL 60 HA VAL 60 -9.011 10.179 -3.574 437 HB VAL 60 HB VAL 60 -7.697 11.371 -1.139 438 HG11 VAL 60 1HG1 VAL 60 -5.603 11.372 -2.509 439 HG12 VAL 60 2HG1 VAL 60 -6.123 9.776 -1.964 440 HG13 VAL 60 3HG1 VAL 60 -6.408 10.276 -3.632 441 HG21 VAL 60 1HG2 VAL 60 -7.031 12.917 -3.263 442 HG22 VAL 60 2HG2 VAL 60 -8.627 12.347 -3.752 443 HG23 VAL 60 3HG2 VAL 60 -8.427 13.204 -2.224 444 H GLN 61 H GLN 61 -8.247 8.207 -3.970 445 HA GLN 61 HA GLN 61 -7.363 6.535 -1.730 446 HB2 GLN 61 1HB GLN 61 -9.184 5.539 -3.925 447 HB3 GLN 61 2HB GLN 61 -8.588 4.617 -2.552 448 HG2 GLN 61 1HG GLN 61 -9.791 6.511 -1.182 449 HG3 GLN 61 2HG GLN 61 -10.716 6.684 -2.672 450 HE21 GLN 61 1HE2 GLN 61 -10.830 5.330 0.238 451 HE22 GLN 61 2HE2 GLN 61 -11.773 3.922 -0.095 452 H TRP 62 H TRP 62 -5.344 5.949 -2.125 453 HA TRP 62 HA TRP 62 -4.619 5.054 -4.816 454 HB2 TRP 62 1HB TRP 62 -2.713 6.419 -4.992 455 HB3 TRP 62 2HB TRP 62 -3.964 7.506 -4.393 456 HD1 TRP 62 HD1 TRP 62 -0.535 6.294 -3.620 457 HE1 TRP 62 HE1 TRP 62 0.238 7.209 -1.342 458 HE3 TRP 62 HE3 TRP 62 -5.008 8.072 -1.898 459 HZ2 TRP 62 HZ2 TRP 62 -0.898 8.510 0.890 460 HZ3 TRP 62 HZ3 TRP 62 -5.079 9.137 0.319 461 HH2 TRP 62 HH2 TRP 62 -3.066 9.351 1.682 462 H GLU 63 H GLU 63 -2.564 3.839 -4.845 463 HA GLU 63 HA GLU 63 -2.110 2.480 -2.270 464 HB2 GLU 63 1HB GLU 63 -1.581 1.223 -4.950 465 HB3 GLU 63 2HB GLU 63 -1.795 0.436 -3.392 466 HG2 GLU 63 1HG GLU 63 -4.176 1.210 -3.431 467 HG3 GLU 63 2HG GLU 63 -3.904 1.737 -5.091 468 H MET 64 H MET 64 0.092 1.347 -2.223 469 HA MET 64 HA MET 64 2.165 2.828 -3.648 470 HB2 MET 64 1HB MET 64 1.922 2.689 -0.644 471 HB3 MET 64 2HB MET 64 3.416 3.114 -1.466 472 HG2 MET 64 1HG MET 64 2.403 5.062 -2.426 473 HG3 MET 64 2HG MET 64 0.824 4.601 -1.794 474 HE1 MET 64 1HE MET 64 4.281 5.613 -1.295 475 HE2 MET 64 2HE MET 64 3.795 7.189 -0.669 476 HE3 MET 64 3HE MET 64 4.502 5.988 0.414 477 H GLU 65 H GLU 65 3.230 1.234 -4.632 478 HA GLU 65 HA GLU 65 3.677 -1.285 -3.199 479 HB2 GLU 65 1HB GLU 65 2.686 -1.632 -5.342 480 HB3 GLU 65 2HB GLU 65 3.835 -0.553 -6.120 481 HG2 GLU 65 1HG GLU 65 5.641 -2.152 -5.570 482 HG3 GLU 65 2HG GLU 65 4.423 -3.250 -4.926 483 H VAL 66 H VAL 66 5.697 -2.083 -2.793 484 HA VAL 66 HA VAL 66 7.950 -0.272 -3.375 485 HB VAL 66 HB VAL 66 7.653 -2.154 -1.029 486 HG11 VAL 66 1HG1 VAL 66 9.887 -0.493 -2.058 487 HG12 VAL 66 2HG1 VAL 66 9.662 -0.579 -0.310 488 HG13 VAL 66 3HG1 VAL 66 9.919 -2.055 -1.240 489 HG21 VAL 66 1HG2 VAL 66 6.175 -0.134 -0.995 490 HG22 VAL 66 2HG2 VAL 66 7.326 -0.224 0.338 491 HG23 VAL 66 3HG2 VAL 66 7.632 0.859 -1.020 492 H CYS 67 H CYS 67 9.482 -1.052 -4.656 493 HA CYS 67 HA CYS 67 10.466 -3.709 -4.498 494 HB2 CYS 67 1HB CYS 67 8.204 -3.812 -5.833 495 HB3 CYS 67 2HB CYS 67 9.183 -3.179 -7.151 496 HG CYS 67 HG CYS 67 9.631 -5.603 -7.914 497 H LYS 68 H LYS 68 12.241 -4.098 -5.975 498 HA LYS 68 HA LYS 68 13.881 -1.842 -6.326 499 HB2 LYS 68 1HB LYS 68 14.026 -4.712 -7.125 500 HB3 LYS 68 2HB LYS 68 15.139 -3.584 -7.886 501 HG2 LYS 68 1HG LYS 68 16.124 -3.010 -5.816 502 HG3 LYS 68 2HG LYS 68 14.843 -3.814 -4.905 503 HD2 LYS 68 1HD LYS 68 16.669 -5.288 -6.790 504 HD3 LYS 68 2HD LYS 68 17.053 -5.049 -5.083 505 HE2 LYS 68 1HE LYS 68 16.018 -7.092 -4.999 506 HE3 LYS 68 2HE LYS 68 14.640 -6.024 -4.735 507 HZ1 LYS 68 1HZ LYS 68 15.164 -6.556 -7.511 508 HZ2 LYS 68 2HZ LYS 68 13.711 -6.643 -6.649 509 HZ3 LYS 68 3HZ LYS 68 14.786 -7.949 -6.628 510 H LEU 69 H LEU 69 13.298 -0.248 -7.675 511 HA LEU 69 HA LEU 69 11.709 -0.136 -9.808 512 HB2 LEU 69 1HB LEU 69 14.445 1.126 -9.818 513 HB3 LEU 69 2HB LEU 69 13.024 1.675 -10.704 514 HG LEU 69 HG LEU 69 13.363 1.711 -7.705 515 HD11 LEU 69 1HD1 LEU 69 14.741 3.361 -8.917 516 HD12 LEU 69 2HD1 LEU 69 13.484 4.108 -7.931 517 HD13 LEU 69 3HD1 LEU 69 13.279 3.988 -9.679 518 HD21 LEU 69 1HD2 LEU 69 11.267 3.200 -7.971 519 HD22 LEU 69 2HD2 LEU 69 11.079 1.447 -8.017 520 HD23 LEU 69 3HD2 LEU 69 11.074 2.374 -9.517 521 HA PRO 70 HA PRO 70 13.153 -2.855 -12.954 522 HB2 PRO 70 1HB PRO 70 11.976 -1.692 -15.106 523 HB3 PRO 70 2HB PRO 70 11.074 -2.620 -13.903 524 HG2 PRO 70 1HG PRO 70 11.384 0.346 -14.164 525 HG3 PRO 70 2HG PRO 70 9.929 -0.599 -13.797 526 HD2 PRO 70 1HD PRO 70 11.361 0.672 -11.883 527 HD3 PRO 70 2HD PRO 70 10.498 -0.849 -11.578 528 H ARG 71 H ARG 71 13.406 0.632 -13.609 529 HA ARG 71 HA ARG 71 15.488 0.281 -15.556 530 HB2 ARG 71 1HB ARG 71 14.603 2.812 -14.162 531 HB3 ARG 71 2HB ARG 71 15.566 2.707 -15.629 532 HG2 ARG 71 1HG ARG 71 12.861 1.458 -15.567 533 HG3 ARG 71 2HG ARG 71 13.012 3.206 -15.753 534 HD2 ARG 71 1HD ARG 71 12.879 1.951 -17.905 535 HD3 ARG 71 2HD ARG 71 14.320 2.952 -17.736 536 HE ARG 71 HE ARG 71 15.617 1.045 -17.693 537 HH11 ARG 71 1HH1 ARG 71 12.245 0.206 -17.475 538 HH12 ARG 71 2HH1 ARG 71 12.515 -1.486 -17.735 539 HH21 ARG 71 1HH2 ARG 71 15.985 -1.179 -18.036 540 HH22 ARG 71 2HH2 ARG 71 14.643 -2.273 -18.053 541 H LEU 72 H LEU 72 15.339 1.573 -12.244 542 HA LEU 72 HA LEU 72 18.268 1.449 -12.111 543 HB2 LEU 72 1HB LEU 72 16.334 2.745 -10.197 544 HB3 LEU 72 2HB LEU 72 18.091 2.871 -10.159 545 HG LEU 72 HG LEU 72 17.713 3.888 -12.573 546 HD11 LEU 72 1HD1 LEU 72 15.082 3.527 -11.749 547 HD12 LEU 72 2HD1 LEU 72 15.646 4.497 -13.110 548 HD13 LEU 72 3HD1 LEU 72 15.390 5.251 -11.536 549 HD21 LEU 72 1HD2 LEU 72 17.386 6.149 -11.336 550 HD22 LEU 72 2HD2 LEU 72 18.848 5.205 -11.053 551 HD23 LEU 72 3HD2 LEU 72 17.533 5.168 -9.878 552 H SER 73 H SER 73 19.325 0.377 -10.424 553 HA SER 73 HA SER 73 17.883 -1.918 -9.401 554 HB2 SER 73 1HB SER 73 20.157 -2.175 -10.343 555 HB3 SER 73 2HB SER 73 20.792 -1.146 -9.060 556 HG SER 73 HG SER 73 20.068 -2.707 -7.557 557 H LEU 74 H LEU 74 17.031 0.560 -8.330 558 HA LEU 74 HA LEU 74 17.930 0.316 -5.534 559 HB2 LEU 74 1HB LEU 74 16.776 2.742 -6.901 560 HB3 LEU 74 2HB LEU 74 17.317 2.650 -5.227 561 HG LEU 74 HG LEU 74 19.234 2.127 -7.467 562 HD11 LEU 74 1HD1 LEU 74 19.691 4.370 -7.804 563 HD12 LEU 74 2HD1 LEU 74 18.874 4.866 -6.322 564 HD13 LEU 74 3HD1 LEU 74 17.929 4.347 -7.718 565 HD21 LEU 74 1HD2 LEU 74 19.427 3.035 -4.608 566 HD22 LEU 74 2HD2 LEU 74 20.775 3.162 -5.739 567 HD23 LEU 74 3HD2 LEU 74 20.100 1.581 -5.344 568 H ASN 75 H ASN 75 16.218 1.056 -3.942 569 HA ASN 75 HA ASN 75 13.651 -0.137 -4.730 570 HB2 ASN 75 1HB ASN 75 14.448 0.404 -1.885 571 HB3 ASN 75 2HB ASN 75 13.338 -0.811 -2.513 572 HD21 ASN 75 1HD2 ASN 75 14.070 -2.802 -2.815 573 HD22 ASN 75 2HD2 ASN 75 15.730 -3.279 -2.757 574 H GLY 76 H GLY 76 12.626 1.634 -5.635 575 HA2 GLY 76 1HA GLY 76 12.400 4.075 -4.038 576 HA3 GLY 76 2HA GLY 76 11.889 3.877 -5.707 577 H VAL 77 H VAL 77 9.944 4.994 -4.918 578 HA VAL 77 HA VAL 77 8.060 3.079 -3.701 579 HB VAL 77 HB VAL 77 8.044 6.081 -3.355 580 HG11 VAL 77 1HG1 VAL 77 6.104 5.877 -2.101 581 HG12 VAL 77 2HG1 VAL 77 5.829 4.742 -3.425 582 HG13 VAL 77 3HG1 VAL 77 6.333 4.148 -1.842 583 HG21 VAL 77 1HG2 VAL 77 8.803 5.777 -1.163 584 HG22 VAL 77 2HG2 VAL 77 8.472 4.044 -1.191 585 HG23 VAL 77 3HG2 VAL 77 9.818 4.700 -2.123 586 H ARG 78 H ARG 78 6.166 2.759 -4.732 587 HA ARG 78 HA ARG 78 5.747 4.242 -7.232 588 HB2 ARG 78 1HB ARG 78 5.938 1.622 -7.022 589 HB3 ARG 78 2HB ARG 78 4.248 1.746 -6.553 590 HG2 ARG 78 1HG ARG 78 3.677 2.763 -8.645 591 HG3 ARG 78 2HG ARG 78 5.377 2.867 -9.106 592 HD2 ARG 78 1HD ARG 78 4.533 0.997 -10.256 593 HD3 ARG 78 2HD ARG 78 5.436 0.339 -8.893 594 HE ARG 78 HE ARG 78 2.828 0.582 -8.033 595 HH11 ARG 78 1HH1 ARG 78 4.524 -1.115 -10.555 596 HH12 ARG 78 2HH1 ARG 78 3.407 -2.439 -10.595 597 HH21 ARG 78 1HH2 ARG 78 1.351 -1.155 -8.075 598 HH22 ARG 78 2HH2 ARG 78 1.602 -2.461 -9.184 599 H PHE 79 H PHE 79 3.748 5.128 -7.747 600 HA PHE 79 HA PHE 79 1.762 5.215 -5.579 601 HB2 PHE 79 1HB PHE 79 2.738 7.555 -7.229 602 HB3 PHE 79 2HB PHE 79 1.369 7.611 -6.123 603 HD1 PHE 79 HD2 PHE 79 4.913 6.431 -6.024 604 HD2 PHE 79 HD1 PHE 79 1.794 8.607 -4.111 605 HE1 PHE 79 HE2 PHE 79 6.437 6.984 -4.173 606 HE2 PHE 79 HE1 PHE 79 3.314 9.164 -2.259 607 HZ PHE 79 HZ PHE 79 5.638 8.351 -2.287 608 H LYS 80 H LYS 80 0.197 3.979 -6.460 609 HA LYS 80 HA LYS 80 -0.632 4.516 -9.224 610 HB2 LYS 80 1HB LYS 80 -0.089 2.156 -8.418 611 HB3 LYS 80 2HB LYS 80 -1.571 2.245 -7.476 612 HG2 LYS 80 1HG LYS 80 -2.716 2.816 -9.699 613 HG3 LYS 80 2HG LYS 80 -1.236 2.217 -10.452 614 HD2 LYS 80 1HD LYS 80 -1.602 0.053 -9.761 615 HD3 LYS 80 2HD LYS 80 -2.581 0.548 -8.378 616 HE2 LYS 80 1HE LYS 80 -4.294 1.336 -10.101 617 HE3 LYS 80 2HE LYS 80 -3.362 0.412 -11.277 618 HZ1 LYS 80 1HZ LYS 80 -4.858 -1.152 -10.618 619 HZ2 LYS 80 2HZ LYS 80 -5.007 -0.538 -9.049 620 HZ3 LYS 80 3HZ LYS 80 -3.648 -1.451 -9.474 621 H ARG 81 H ARG 81 -2.480 5.537 -9.658 622 HA ARG 81 HA ARG 81 -4.163 6.374 -7.440 623 HB2 ARG 81 1HB ARG 81 -3.461 8.041 -9.096 624 HB3 ARG 81 2HB ARG 81 -4.244 7.116 -10.369 625 HG2 ARG 81 1HG ARG 81 -6.380 7.425 -8.930 626 HG3 ARG 81 2HG ARG 81 -5.469 8.741 -8.187 627 HD2 ARG 81 1HD ARG 81 -5.450 9.995 -10.107 628 HD3 ARG 81 2HD ARG 81 -5.572 8.583 -11.157 629 HE ARG 81 HE ARG 81 -7.953 8.785 -9.723 630 HH11 ARG 81 1HH1 ARG 81 -6.180 10.570 -12.129 631 HH12 ARG 81 2HH1 ARG 81 -7.596 11.263 -12.847 632 HH21 ARG 81 1HH2 ARG 81 -9.825 9.691 -10.659 633 HH22 ARG 81 2HH2 ARG 81 -9.669 10.763 -12.009 634 H ILE 82 H ILE 82 -6.379 5.991 -7.294 635 HA ILE 82 HA ILE 82 -7.424 3.875 -9.058 636 HB ILE 82 HB ILE 82 -7.964 4.121 -6.096 637 HG12 ILE 82 1HG1 ILE 82 -5.652 3.366 -6.638 638 HG13 ILE 82 2HG1 ILE 82 -6.609 2.136 -5.819 639 HG21 ILE 82 1HG2 ILE 82 -9.848 3.075 -6.812 640 HG22 ILE 82 2HG2 ILE 82 -9.080 2.449 -8.270 641 HG23 ILE 82 3HG2 ILE 82 -8.792 1.666 -6.717 642 HD11 ILE 82 1HD1 ILE 82 -5.410 2.124 -8.476 643 HD12 ILE 82 2HD1 ILE 82 -5.868 0.783 -7.426 644 HD13 ILE 82 3HD1 ILE 82 -7.081 1.564 -8.440 645 H SER 83 H SER 83 -8.511 6.189 -6.565 646 HA SER 83 HA SER 83 -10.709 6.951 -8.372 647 HB2 SER 83 1HB SER 83 -10.895 6.674 -5.362 648 HB3 SER 83 2HB SER 83 -12.195 7.179 -6.441 649 HG SER 83 HG SER 83 -12.014 4.847 -5.738 650 H GLY 84 H GLY 84 -11.785 9.061 -7.374 651 HA2 GLY 84 1HA GLY 84 -11.553 11.270 -6.734 652 HA3 GLY 84 2HA GLY 84 -9.968 10.873 -6.087 653 H THR 85 H THR 85 -10.848 13.182 -7.687 654 HA THR 85 HA THR 85 -9.920 12.973 -10.340 655 HB THR 85 HB THR 85 -11.355 14.827 -9.536 656 HG1 THR 85 HG1 THR 85 -8.935 15.921 -10.528 657 HG21 THR 85 1HG2 THR 85 -9.259 16.543 -8.566 658 HG22 THR 85 2HG2 THR 85 -9.371 15.092 -7.569 659 HG23 THR 85 3HG2 THR 85 -10.790 16.112 -7.806 660 H SER 86 H SER 86 -8.018 14.168 -11.211 661 HA SER 86 HA SER 86 -5.632 13.148 -10.198 662 HB2 SER 86 1HB SER 86 -6.033 15.535 -12.017 663 HB3 SER 86 2HB SER 86 -4.508 14.682 -11.778 664 HG SER 86 HG SER 86 -6.786 13.911 -13.181 665 H ILE 87 H ILE 87 -6.612 16.581 -10.223 666 HA ILE 87 HA ILE 87 -4.647 17.693 -8.727 667 HB ILE 87 HB ILE 87 -7.599 18.296 -8.571 668 HG12 ILE 87 1HG1 ILE 87 -5.358 19.693 -10.047 669 HG13 ILE 87 2HG1 ILE 87 -6.495 18.569 -10.784 670 HG21 ILE 87 1HG2 ILE 87 -7.202 19.718 -6.917 671 HG22 ILE 87 2HG2 ILE 87 -5.511 19.223 -6.888 672 HG23 ILE 87 3HG2 ILE 87 -6.020 20.559 -7.920 673 HD11 ILE 87 1HD1 ILE 87 -7.545 20.489 -11.317 674 HD12 ILE 87 2HD1 ILE 87 -8.230 20.285 -9.704 675 HD13 ILE 87 3HD1 ILE 87 -6.864 21.372 -9.952 676 H ALA 88 H ALA 88 -7.557 16.126 -7.409 677 HA ALA 88 HA ALA 88 -6.912 16.486 -4.695 678 HB1 ALA 88 1HB ALA 88 -8.512 14.173 -5.750 679 HB2 ALA 88 2HB ALA 88 -8.679 15.016 -4.210 680 HB3 ALA 88 3HB ALA 88 -9.149 15.817 -5.709 681 H PHE 89 H PHE 89 -5.979 14.053 -7.033 682 HA PHE 89 HA PHE 89 -4.926 12.195 -5.146 683 HB2 PHE 89 1HB PHE 89 -5.523 11.344 -7.290 684 HB3 PHE 89 2HB PHE 89 -4.537 12.545 -8.117 685 HD1 PHE 89 HD1 PHE 89 -3.776 10.248 -5.285 686 HD2 PHE 89 HD2 PHE 89 -2.889 11.434 -9.275 687 HE1 PHE 89 HE1 PHE 89 -1.895 8.663 -5.334 688 HE2 PHE 89 HE2 PHE 89 -1.007 9.850 -9.331 689 HZ PHE 89 HZ PHE 89 -0.508 8.461 -7.359 690 H LYS 90 H LYS 90 -3.491 14.722 -7.174 691 HA LYS 90 HA LYS 90 -0.825 14.239 -6.258 692 HB2 LYS 90 1HB LYS 90 -2.172 16.249 -7.989 693 HB3 LYS 90 2HB LYS 90 -0.629 16.704 -7.276 694 HG2 LYS 90 1HG LYS 90 0.106 15.797 -9.223 695 HG3 LYS 90 2HG LYS 90 0.099 14.347 -8.217 696 HD2 LYS 90 1HD LYS 90 -1.035 13.552 -10.033 697 HD3 LYS 90 2HD LYS 90 -2.392 14.189 -9.101 698 HE2 LYS 90 1HE LYS 90 -2.544 14.865 -11.437 699 HE3 LYS 90 2HE LYS 90 -2.306 16.263 -10.391 700 HZ1 LYS 90 1HZ LYS 90 -0.269 16.666 -11.239 701 HZ2 LYS 90 2HZ LYS 90 -0.895 15.857 -12.586 702 HZ3 LYS 90 3HZ LYS 90 0.094 15.032 -11.489 703 H ASN 91 H ASN 91 -3.518 15.930 -5.013 704 HA ASN 91 HA ASN 91 -2.142 17.914 -3.513 705 HB2 ASN 91 1HB ASN 91 -4.909 16.778 -3.507 706 HB3 ASN 91 2HB ASN 91 -4.390 17.753 -2.135 707 HD21 ASN 91 1HD2 ASN 91 -6.458 18.642 -3.565 708 HD22 ASN 91 2HD2 ASN 91 -6.008 20.002 -4.531 709 H ILE 92 H ILE 92 -3.093 14.593 -2.891 710 HA ILE 92 HA ILE 92 -2.271 14.728 -0.113 711 HB ILE 92 HB ILE 92 -4.159 13.331 -0.551 712 HG12 ILE 92 1HG1 ILE 92 -3.400 11.187 0.351 713 HG13 ILE 92 2HG1 ILE 92 -1.743 11.561 -0.111 714 HG21 ILE 92 1HG2 ILE 92 -3.676 11.204 -2.001 715 HG22 ILE 92 2HG2 ILE 92 -4.135 12.725 -2.765 716 HG23 ILE 92 3HG2 ILE 92 -2.442 12.234 -2.726 717 HD11 ILE 92 1HD1 ILE 92 -1.406 12.851 1.685 718 HD12 ILE 92 2HD1 ILE 92 -3.022 13.555 1.614 719 HD13 ILE 92 3HD1 ILE 92 -2.783 11.968 2.345 720 H ALA 93 H ALA 93 -0.983 13.724 -3.179 721 HA ALA 93 HA ALA 93 1.036 11.981 -2.350 722 HB1 ALA 93 1HB ALA 93 0.214 13.079 -4.754 723 HB2 ALA 93 2HB ALA 93 1.865 13.668 -4.557 724 HB3 ALA 93 3HB ALA 93 1.536 11.936 -4.520 725 H SER 94 H SER 94 0.889 15.487 -2.376 726 HA SER 94 HA SER 94 3.630 15.994 -1.953 727 HB2 SER 94 1HB SER 94 2.054 17.736 -2.686 728 HB3 SER 94 2HB SER 94 1.237 17.656 -1.125 729 HG SER 94 HG SER 94 2.645 19.084 -0.520 730 H LYS 95 H LYS 95 0.940 15.441 0.266 731 HA LYS 95 HA LYS 95 2.223 16.067 2.665 732 HB2 LYS 95 1HB LYS 95 -0.102 14.381 1.889 733 HB3 LYS 95 2HB LYS 95 0.564 14.144 3.499 734 HG2 LYS 95 1HG LYS 95 -1.275 15.726 3.539 735 HG3 LYS 95 2HG LYS 95 0.241 16.512 3.990 736 HD2 LYS 95 1HD LYS 95 0.394 17.159 1.501 737 HD3 LYS 95 2HD LYS 95 -1.322 16.749 1.439 738 HE2 LYS 95 1HE LYS 95 -1.154 19.094 1.836 739 HE3 LYS 95 2HE LYS 95 -1.683 18.336 3.337 740 HZ1 LYS 95 1HZ LYS 95 1.026 18.337 3.539 741 HZ2 LYS 95 2HZ LYS 95 -0.017 19.449 4.273 742 HZ3 LYS 95 3HZ LYS 95 0.706 19.820 2.790 743 H ILE 96 H ILE 96 2.144 13.051 0.822 744 HA ILE 96 HA ILE 96 3.693 11.612 2.775 745 HB ILE 96 HB ILE 96 3.227 10.777 -0.081 746 HG12 ILE 96 1HG1 ILE 96 1.081 11.423 1.007 747 HG13 ILE 96 2HG1 ILE 96 1.170 9.709 0.616 748 HG21 ILE 96 1HG2 ILE 96 3.965 9.377 2.461 749 HG22 ILE 96 2HG2 ILE 96 3.218 8.501 1.126 750 HG23 ILE 96 3HG2 ILE 96 4.761 9.322 0.888 751 HD11 ILE 96 1HD1 ILE 96 2.088 9.652 3.135 752 HD12 ILE 96 2HD1 ILE 96 1.020 11.054 3.226 753 HD13 ILE 96 3HD1 ILE 96 0.384 9.493 2.708 754 H ALA 97 H ALA 97 4.345 12.371 -0.652 755 HA ALA 97 HA ALA 97 6.938 11.744 -0.904 756 HB1 ALA 97 1HB ALA 97 7.108 13.985 -2.270 757 HB2 ALA 97 2HB ALA 97 6.085 12.658 -2.821 758 HB3 ALA 97 3HB ALA 97 5.369 14.033 -1.980 759 H ASN 98 H ASN 98 5.734 14.645 0.727 760 HA ASN 98 HA ASN 98 8.324 15.703 1.284 761 HB2 ASN 98 1HB ASN 98 5.546 16.322 2.247 762 HB3 ASN 98 2HB ASN 98 6.944 17.080 3.004 763 HD21 ASN 98 1HD2 ASN 98 8.085 18.625 1.909 764 HD22 ASN 98 2HD2 ASN 98 7.554 19.310 0.414 765 H GLU 99 H GLU 99 5.872 14.697 3.661 766 HA GLU 99 HA GLU 99 7.363 14.435 5.879 767 HB2 GLU 99 1HB GLU 99 5.053 12.875 4.840 768 HB3 GLU 99 2HB GLU 99 5.890 12.237 6.248 769 HG2 GLU 99 1HG GLU 99 4.482 14.872 5.967 770 HG3 GLU 99 2HG GLU 99 4.100 13.539 7.056 771 H LEU 100 H LEU 100 7.353 12.199 3.168 772 HA LEU 100 HA LEU 100 8.636 10.005 4.153 773 HB2 LEU 100 1HB LEU 100 8.821 11.417 1.526 774 HB3 LEU 100 2HB LEU 100 9.843 10.017 1.844 775 HG LEU 100 HG LEU 100 6.841 10.123 1.669 776 HD11 LEU 100 1HD1 LEU 100 7.053 9.023 -0.286 777 HD12 LEU 100 2HD1 LEU 100 8.463 8.111 0.252 778 HD13 LEU 100 3HD1 LEU 100 8.647 9.778 -0.291 779 HD21 LEU 100 1HD2 LEU 100 8.620 8.145 2.998 780 HD22 LEU 100 2HD2 LEU 100 7.240 7.546 2.078 781 HD23 LEU 100 3HD2 LEU 100 6.988 8.663 3.420 782 H LYS 101 H LYS 101 10.318 9.933 5.486 783 HA LYS 101 HA LYS 101 12.501 11.858 5.169 784 HB2 LYS 101 1HB LYS 101 11.480 10.182 7.405 785 HB3 LYS 101 2HB LYS 101 13.203 10.537 7.384 786 HG2 LYS 101 1HG LYS 101 10.979 12.567 7.362 787 HG3 LYS 101 2HG LYS 101 11.991 12.142 8.744 788 HD2 LYS 101 1HD LYS 101 13.931 12.763 7.057 789 HD3 LYS 101 2HD LYS 101 12.652 13.725 6.313 790 HE2 LYS 101 1HE LYS 101 13.691 15.177 7.834 791 HE3 LYS 101 2HE LYS 101 12.218 14.651 8.647 792 HZ1 LYS 101 1HZ LYS 101 14.562 14.622 9.831 793 HZ2 LYS 101 2HZ LYS 101 14.639 13.089 9.120 794 HZ3 LYS 101 3HZ LYS 101 13.373 13.469 10.176 795 H LEU 102 H LEU 102 12.052 9.529 3.382 796 HA LEU 102 HA LEU 102 13.942 7.507 3.936 797 HB2 LEU 102 1HB LEU 102 13.039 8.402 1.209 798 HB3 LEU 102 2HB LEU 102 13.649 6.815 1.671 799 HG LEU 102 HG LEU 102 11.086 7.914 2.789 800 HD11 LEU 102 1HD1 LEU 102 11.618 6.698 0.129 801 HD12 LEU 102 2HD1 LEU 102 10.458 7.941 0.593 802 HD13 LEU 102 3HD1 LEU 102 10.141 6.250 0.982 803 HD21 LEU 102 1HD2 LEU 102 10.623 5.453 2.991 804 HD22 LEU 102 2HD2 LEU 102 11.923 6.061 4.015 805 HD23 LEU 102 3HD2 LEU 102 12.305 5.173 2.540 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 9.886 28.750 -23.688 2 HA2 GLY 1 1HA GLY 1 11.439 27.620 -21.965 3 HA3 GLY 1 2HA GLY 1 9.996 28.402 -21.335 4 H SER 2 H SER 2 8.065 26.564 -22.196 5 HA SER 2 HA SER 2 8.793 24.193 -20.603 6 HB2 SER 2 1HB SER 2 7.133 25.635 -19.478 7 HB3 SER 2 2HB SER 2 6.067 25.484 -20.875 8 HG SER 2 HG SER 2 5.828 23.991 -18.940 9 H SER 3 H SER 3 9.378 22.848 -22.269 10 HA SER 3 HA SER 3 7.851 22.565 -24.659 11 HB2 SER 3 1HB SER 3 10.076 20.949 -23.420 12 HB3 SER 3 2HB SER 3 9.294 20.462 -24.923 13 HG SER 3 HG SER 3 11.284 22.042 -24.773 14 H GLY 4 H GLY 4 6.383 21.009 -25.253 15 HA2 GLY 4 1HA GLY 4 5.326 19.367 -23.036 16 HA3 GLY 4 2HA GLY 4 4.345 20.021 -24.340 17 H SER 5 H SER 5 5.272 17.223 -23.229 18 HA SER 5 HA SER 5 5.417 16.017 -25.892 19 HB2 SER 5 1HB SER 5 7.332 15.465 -23.620 20 HB3 SER 5 2HB SER 5 7.133 14.382 -24.998 21 HG SER 5 HG SER 5 8.840 16.137 -25.032 22 H SER 6 H SER 6 4.494 13.979 -26.055 23 HA SER 6 HA SER 6 2.370 13.400 -24.331 24 HB2 SER 6 1HB SER 6 3.757 11.503 -26.241 25 HB3 SER 6 2HB SER 6 2.130 11.318 -25.586 26 HG SER 6 HG SER 6 1.427 12.621 -27.068 27 H GLY 7 H GLY 7 2.856 13.105 -22.208 28 HA2 GLY 7 1HA GLY 7 4.559 10.773 -21.582 29 HA3 GLY 7 2HA GLY 7 4.642 12.256 -20.642 30 H ARG 8 H ARG 8 3.947 11.570 -18.688 31 HA ARG 8 HA ARG 8 1.149 10.731 -18.521 32 HB2 ARG 8 1HB ARG 8 3.514 9.225 -17.456 33 HB3 ARG 8 2HB ARG 8 1.968 9.138 -16.622 34 HG2 ARG 8 1HG ARG 8 0.960 8.435 -18.829 35 HG3 ARG 8 2HG ARG 8 2.614 8.257 -19.418 36 HD2 ARG 8 1HD ARG 8 2.917 6.813 -17.265 37 HD3 ARG 8 2HD ARG 8 1.160 6.690 -17.333 38 HE ARG 8 HE ARG 8 1.435 5.153 -18.983 39 HH11 ARG 8 1HH1 ARG 8 4.192 7.279 -19.008 40 HH12 ARG 8 2HH1 ARG 8 4.991 6.441 -20.296 41 HH21 ARG 8 1HH2 ARG 8 2.478 4.040 -20.679 42 HH22 ARG 8 2HH2 ARG 8 4.015 4.599 -21.246 43 H PHE 9 H PHE 9 0.074 11.462 -16.725 44 HA PHE 9 HA PHE 9 1.592 13.297 -14.999 45 HB2 PHE 9 1HB PHE 9 -1.185 13.339 -16.091 46 HB3 PHE 9 2HB PHE 9 -0.893 14.095 -14.528 47 HD1 PHE 9 HD1 PHE 9 0.983 15.840 -14.407 48 HD2 PHE 9 HD2 PHE 9 -0.758 14.497 -18.052 49 HE1 PHE 9 HE1 PHE 9 1.796 17.869 -15.539 50 HE2 PHE 9 HE2 PHE 9 0.052 16.523 -19.189 51 HZ PHE 9 HZ PHE 9 1.332 18.211 -17.933 52 H THR 10 H THR 10 -0.859 10.759 -15.002 53 HA THR 10 HA THR 10 -1.284 10.738 -12.196 54 HB THR 10 HB THR 10 -2.388 8.587 -12.538 55 HG1 THR 10 HG1 THR 10 -1.398 8.771 -15.208 56 HG21 THR 10 1HG2 THR 10 -3.988 10.090 -13.085 57 HG22 THR 10 2HG2 THR 10 -3.761 9.434 -14.706 58 HG23 THR 10 3HG2 THR 10 -2.952 10.930 -14.239 59 H TRP 11 H TRP 11 0.384 8.333 -14.243 60 HA TRP 11 HA TRP 11 1.709 7.195 -11.954 61 HB2 TRP 11 1HB TRP 11 1.542 6.585 -14.861 62 HB3 TRP 11 2HB TRP 11 2.957 5.995 -13.992 63 HD1 TRP 11 HD1 TRP 11 -0.506 5.049 -14.799 64 HE1 TRP 11 HE1 TRP 11 -1.264 3.049 -13.367 65 HE3 TRP 11 HE3 TRP 11 3.251 5.064 -11.332 66 HZ2 TRP 11 HZ2 TRP 11 -0.385 1.661 -11.071 67 HZ3 TRP 11 HZ3 TRP 11 3.218 3.367 -9.550 68 HH2 TRP 11 HH2 TRP 11 1.437 1.703 -9.423 69 H SER 12 H SER 12 3.270 8.376 -11.032 70 HA SER 12 HA SER 12 5.545 9.160 -12.686 71 HB2 SER 12 1HB SER 12 5.655 11.398 -11.770 72 HB3 SER 12 2HB SER 12 4.059 11.161 -12.482 73 HG SER 12 HG SER 12 3.789 12.094 -10.478 74 H MET 13 H MET 13 7.511 9.290 -11.565 75 HA MET 13 HA MET 13 7.459 8.494 -8.739 76 HB2 MET 13 1HB MET 13 7.911 6.608 -10.541 77 HB3 MET 13 2HB MET 13 9.530 7.294 -10.523 78 HG2 MET 13 1HG MET 13 8.031 6.140 -8.185 79 HG3 MET 13 2HG MET 13 9.426 5.441 -9.005 80 HE1 MET 13 1HE MET 13 9.312 8.471 -5.680 81 HE2 MET 13 2HE MET 13 7.958 7.896 -6.653 82 HE3 MET 13 3HE MET 13 8.822 6.779 -5.595 83 H LYS 14 H LYS 14 8.779 9.670 -7.507 84 HA LYS 14 HA LYS 14 11.062 11.029 -8.763 85 HB2 LYS 14 1HB LYS 14 8.843 12.239 -7.155 86 HB3 LYS 14 2HB LYS 14 10.453 12.943 -7.076 87 HG2 LYS 14 1HG LYS 14 9.143 12.442 -9.717 88 HG3 LYS 14 2HG LYS 14 8.753 13.881 -8.770 89 HD2 LYS 14 1HD LYS 14 11.618 13.204 -9.229 90 HD3 LYS 14 2HD LYS 14 10.691 13.900 -10.560 91 HE2 LYS 14 1HE LYS 14 11.446 15.821 -9.595 92 HE3 LYS 14 2HE LYS 14 9.960 15.605 -8.670 93 HZ1 LYS 14 1HZ LYS 14 12.597 14.599 -7.762 94 HZ2 LYS 14 2HZ LYS 14 11.169 14.707 -6.862 95 HZ3 LYS 14 3HZ LYS 14 11.984 16.115 -7.327 96 H THR 15 H THR 15 9.524 10.554 -5.576 97 HA THR 15 HA THR 15 11.738 10.806 -3.973 98 HB THR 15 HB THR 15 9.449 8.865 -3.594 99 HG1 THR 15 HG1 THR 15 9.829 11.604 -3.038 100 HG21 THR 15 1HG2 THR 15 11.694 9.732 -1.823 101 HG22 THR 15 2HG2 THR 15 10.971 8.135 -2.020 102 HG23 THR 15 3HG2 THR 15 10.118 9.384 -1.113 103 H THR 16 H THR 16 13.368 9.488 -3.245 104 HA THR 16 HA THR 16 13.537 6.744 -4.207 105 HB THR 16 HB THR 16 15.974 7.230 -4.918 106 HG1 THR 16 HG1 THR 16 14.884 9.796 -4.661 107 HG21 THR 16 1HG2 THR 16 15.300 7.207 -7.098 108 HG22 THR 16 2HG2 THR 16 14.109 8.487 -6.857 109 HG23 THR 16 3HG2 THR 16 13.752 6.840 -6.337 110 H SER 17 H SER 17 15.158 5.489 -3.129 111 HA SER 17 HA SER 17 16.677 6.645 -0.976 112 HB2 SER 17 1HB SER 17 14.282 6.358 -0.098 113 HB3 SER 17 2HB SER 17 14.585 4.623 -0.183 114 HG SER 17 HG SER 17 15.607 4.808 1.630 115 H SER 18 H SER 18 18.247 5.249 -0.155 116 HA SER 18 HA SER 18 18.773 2.936 -1.849 117 HB2 SER 18 1HB SER 18 20.516 4.722 -1.321 118 HB3 SER 18 2HB SER 18 20.577 4.043 0.306 119 HG SER 18 HG SER 18 21.173 2.048 -0.634 120 H MET 19 H MET 19 17.440 3.613 1.176 121 HA MET 19 HA MET 19 18.316 1.399 2.686 122 HB2 MET 19 1HB MET 19 15.865 3.142 2.830 123 HB3 MET 19 2HB MET 19 16.116 1.805 3.945 124 HG2 MET 19 1HG MET 19 17.855 2.838 5.014 125 HG3 MET 19 2HG MET 19 18.283 3.811 3.609 126 HE1 MET 19 1HE MET 19 14.239 4.586 5.454 127 HE2 MET 19 2HE MET 19 14.970 3.032 5.051 128 HE3 MET 19 3HE MET 19 15.289 3.777 6.619 129 H ASP 20 H ASP 20 17.620 -0.669 2.831 130 HA ASP 20 HA ASP 20 16.497 -1.995 0.719 131 HB2 ASP 20 1HB ASP 20 15.835 -3.759 2.475 132 HB3 ASP 20 2HB ASP 20 17.538 -3.332 2.342 133 HA PRO 21 HA PRO 21 12.187 -1.168 0.643 134 HB2 PRO 21 1HB PRO 21 11.233 -3.521 -0.318 135 HB3 PRO 21 2HB PRO 21 12.120 -2.364 -1.318 136 HG2 PRO 21 1HG PRO 21 13.101 -4.857 0.018 137 HG3 PRO 21 2HG PRO 21 13.442 -4.254 -1.615 138 HD2 PRO 21 1HD PRO 21 15.180 -3.959 0.440 139 HD3 PRO 21 2HD PRO 21 15.037 -2.768 -0.868 140 H SER 22 H SER 22 13.392 -3.905 2.429 141 HA SER 22 HA SER 22 10.998 -4.770 3.621 142 HB2 SER 22 1HB SER 22 13.862 -4.917 4.581 143 HB3 SER 22 2HB SER 22 12.518 -5.716 5.397 144 HG SER 22 HG SER 22 12.115 -6.774 3.338 145 H ASP 23 H ASP 23 13.310 -2.268 4.527 146 HA ASP 23 HA ASP 23 11.981 -1.674 7.011 147 HB2 ASP 23 1HB ASP 23 14.437 -1.344 6.638 148 HB3 ASP 23 2HB ASP 23 14.044 -0.018 5.547 149 H MET 24 H MET 24 11.907 -0.495 3.725 150 HA MET 24 HA MET 24 10.691 1.983 4.104 151 HB2 MET 24 1HB MET 24 10.731 0.004 1.862 152 HB3 MET 24 2HB MET 24 9.641 1.381 1.766 153 HG2 MET 24 1HG MET 24 12.494 1.874 2.432 154 HG3 MET 24 2HG MET 24 12.069 1.472 0.770 155 HE1 MET 24 1HE MET 24 10.088 3.114 -0.633 156 HE2 MET 24 2HE MET 24 11.002 4.619 -0.723 157 HE3 MET 24 3HE MET 24 11.842 3.070 -0.817 158 H MET 25 H MET 25 9.276 -1.247 3.880 159 HA MET 25 HA MET 25 6.578 -0.480 3.797 160 HB2 MET 25 1HB MET 25 8.041 -2.964 4.574 161 HB3 MET 25 2HB MET 25 6.334 -2.835 4.978 162 HG2 MET 25 1HG MET 25 7.515 -2.583 2.221 163 HG3 MET 25 2HG MET 25 6.678 -3.993 2.866 164 HE1 MET 25 1HE MET 25 4.464 -4.492 2.570 165 HE2 MET 25 2HE MET 25 3.881 -3.494 3.903 166 HE3 MET 25 3HE MET 25 3.097 -3.405 2.325 167 H ARG 26 H ARG 26 8.832 -0.809 6.452 168 HA ARG 26 HA ARG 26 6.842 -0.666 8.509 169 HB2 ARG 26 1HB ARG 26 9.817 -0.673 8.398 170 HB3 ARG 26 2HB ARG 26 9.057 -0.016 9.841 171 HG2 ARG 26 1HG ARG 26 7.803 -2.139 10.087 172 HG3 ARG 26 2HG ARG 26 8.711 -2.787 8.720 173 HD2 ARG 26 1HD ARG 26 10.806 -2.191 10.039 174 HD3 ARG 26 2HD ARG 26 9.736 -1.960 11.422 175 HE ARG 26 HE ARG 26 9.399 -4.501 10.129 176 HH11 ARG 26 1HH1 ARG 26 11.241 -2.720 12.486 177 HH12 ARG 26 2HH1 ARG 26 11.711 -4.130 13.376 178 HH21 ARG 26 1HH2 ARG 26 10.012 -6.365 11.292 179 HH22 ARG 26 2HH2 ARG 26 11.012 -6.203 12.695 180 H GLU 27 H GLU 27 9.184 1.621 7.127 181 HA GLU 27 HA GLU 27 8.455 3.807 8.761 182 HB2 GLU 27 1HB GLU 27 10.578 3.759 7.569 183 HB3 GLU 27 2HB GLU 27 9.738 3.758 6.024 184 HG2 GLU 27 1HG GLU 27 10.357 5.957 6.223 185 HG3 GLU 27 2HG GLU 27 8.717 5.988 6.870 186 H ILE 28 H ILE 28 7.644 3.108 5.358 187 HA ILE 28 HA ILE 28 6.035 5.143 4.676 188 HB ILE 28 HB ILE 28 5.607 2.208 4.175 189 HG12 ILE 28 1HG1 ILE 28 6.424 4.445 2.313 190 HG13 ILE 28 2HG1 ILE 28 7.567 3.415 3.168 191 HG21 ILE 28 1HG2 ILE 28 3.418 3.038 3.997 192 HG22 ILE 28 2HG2 ILE 28 3.957 4.534 3.237 193 HG23 ILE 28 3HG2 ILE 28 4.031 3.015 2.344 194 HD11 ILE 28 1HD1 ILE 28 6.292 1.477 2.026 195 HD12 ILE 28 2HD1 ILE 28 5.718 2.735 0.930 196 HD13 ILE 28 3HD1 ILE 28 7.447 2.428 1.093 197 H ARG 29 H ARG 29 4.825 2.277 6.426 198 HA ARG 29 HA ARG 29 2.230 3.197 6.850 199 HB2 ARG 29 1HB ARG 29 3.962 1.279 8.398 200 HB3 ARG 29 2HB ARG 29 2.299 1.615 8.861 201 HG2 ARG 29 1HG ARG 29 1.465 0.727 6.821 202 HG3 ARG 29 2HG ARG 29 3.087 0.625 6.134 203 HD2 ARG 29 1HD ARG 29 1.742 -1.125 8.121 204 HD3 ARG 29 2HD ARG 29 2.797 -1.548 6.773 205 HE ARG 29 HE ARG 29 4.627 -1.308 8.154 206 HH11 ARG 29 1HH1 ARG 29 1.768 -0.112 9.741 207 HH12 ARG 29 2HH1 ARG 29 2.529 0.028 11.291 208 HH21 ARG 29 1HH2 ARG 29 5.640 -1.128 10.190 209 HH22 ARG 29 2HH2 ARG 29 4.731 -0.550 11.546 210 H LYS 30 H LYS 30 5.184 3.770 8.668 211 HA LYS 30 HA LYS 30 4.031 4.932 10.954 212 HB2 LYS 30 1HB LYS 30 6.427 4.172 10.667 213 HB3 LYS 30 2HB LYS 30 6.711 5.656 9.766 214 HG2 LYS 30 1HG LYS 30 5.662 6.740 11.943 215 HG3 LYS 30 2HG LYS 30 6.269 5.249 12.668 216 HD2 LYS 30 1HD LYS 30 8.032 6.778 12.895 217 HD3 LYS 30 2HD LYS 30 8.478 5.791 11.502 218 HE2 LYS 30 1HE LYS 30 8.031 7.490 9.993 219 HE3 LYS 30 2HE LYS 30 6.952 8.331 11.105 220 HZ1 LYS 30 1HZ LYS 30 9.868 8.407 10.930 221 HZ2 LYS 30 2HZ LYS 30 9.178 8.541 12.468 222 HZ3 LYS 30 3HZ LYS 30 8.772 9.653 11.260 223 H VAL 31 H VAL 31 5.137 6.352 7.902 224 HA VAL 31 HA VAL 31 4.650 9.045 8.624 225 HB VAL 31 HB VAL 31 4.699 7.828 5.859 226 HG11 VAL 31 1HG1 VAL 31 4.585 9.893 4.979 227 HG12 VAL 31 2HG1 VAL 31 3.835 10.313 6.521 228 HG13 VAL 31 3HG1 VAL 31 5.556 10.607 6.267 229 HG21 VAL 31 1HG2 VAL 31 6.950 7.857 5.889 230 HG22 VAL 31 2HG2 VAL 31 7.022 9.334 6.851 231 HG23 VAL 31 3HG2 VAL 31 6.740 7.781 7.639 232 H LEU 32 H LEU 32 2.753 6.745 6.675 233 HA LEU 32 HA LEU 32 0.596 8.371 6.078 234 HB2 LEU 32 1HB LEU 32 0.806 5.413 6.540 235 HB3 LEU 32 2HB LEU 32 -0.719 6.173 6.091 236 HG LEU 32 HG LEU 32 1.688 6.621 4.384 237 HD11 LEU 32 1HD1 LEU 32 0.357 4.049 4.843 238 HD12 LEU 32 2HD1 LEU 32 1.934 4.406 4.141 239 HD13 LEU 32 3HD1 LEU 32 0.481 4.529 3.150 240 HD21 LEU 32 1HD2 LEU 32 -0.275 7.886 3.854 241 HD22 LEU 32 2HD2 LEU 32 -1.283 6.440 3.908 242 HD23 LEU 32 3HD2 LEU 32 -0.082 6.631 2.630 243 H GLY 33 H GLY 33 0.768 6.028 8.772 244 HA2 GLY 33 1HA GLY 33 -1.579 6.543 10.049 245 HA3 GLY 33 2HA GLY 33 -0.092 6.169 10.908 246 H ALA 34 H ALA 34 1.326 8.539 10.156 247 HA ALA 34 HA ALA 34 0.492 10.271 12.218 248 HB1 ALA 34 1HB ALA 34 2.612 10.869 11.952 249 HB2 ALA 34 2HB ALA 34 2.687 10.092 10.371 250 HB3 ALA 34 3HB ALA 34 2.129 11.759 10.508 251 H ASN 35 H ASN 35 -0.086 10.250 8.755 252 HA ASN 35 HA ASN 35 -1.391 12.845 8.833 253 HB2 ASN 35 1HB ASN 35 -0.796 10.878 6.629 254 HB3 ASN 35 2HB ASN 35 -1.831 12.279 6.368 255 HD21 ASN 35 1HD2 ASN 35 1.206 11.177 6.020 256 HD22 ASN 35 2HD2 ASN 35 2.078 12.668 6.060 257 H ASN 36 H ASN 36 -2.602 10.939 10.489 258 HA ASN 36 HA ASN 36 -4.534 9.714 10.833 259 HB2 ASN 36 1HB ASN 36 -5.701 12.149 9.472 260 HB3 ASN 36 2HB ASN 36 -6.479 11.133 10.682 261 HD21 ASN 36 1HD2 ASN 36 -5.376 14.053 10.367 262 HD22 ASN 36 2HD2 ASN 36 -4.659 14.336 11.914 263 H CYS 37 H CYS 37 -3.325 8.798 8.491 264 HA CYS 37 HA CYS 37 -5.555 8.477 6.608 265 HB2 CYS 37 1HB CYS 37 -2.580 8.087 6.329 266 HB3 CYS 37 2HB CYS 37 -3.714 7.457 5.141 267 HG CYS 37 HG CYS 37 -2.664 10.597 5.639 268 H ASP 38 H ASP 38 -5.416 6.210 5.470 269 HA ASP 38 HA ASP 38 -5.143 4.155 7.564 270 HB2 ASP 38 1HB ASP 38 -7.532 4.813 6.974 271 HB3 ASP 38 2HB ASP 38 -7.237 4.095 5.393 272 H TYR 39 H TYR 39 -4.033 2.367 7.034 273 HA TYR 39 HA TYR 39 -3.371 1.940 4.196 274 HB2 TYR 39 1HB TYR 39 -1.112 1.230 4.886 275 HB3 TYR 39 2HB TYR 39 -1.430 2.907 5.316 276 HD1 TYR 39 HD2 TYR 39 -1.413 -0.536 6.727 277 HD2 TYR 39 HD1 TYR 39 -1.129 3.636 7.515 278 HE1 TYR 39 HE2 TYR 39 -0.800 -1.024 9.059 279 HE2 TYR 39 HE1 TYR 39 -0.514 3.159 9.848 280 HH TYR 39 HH TYR 39 -0.951 0.217 11.300 281 H GLU 40 H GLU 40 -3.728 -0.055 3.459 282 HA GLU 40 HA GLU 40 -4.088 -2.222 5.422 283 HB2 GLU 40 1HB GLU 40 -6.203 -1.273 4.269 284 HB3 GLU 40 2HB GLU 40 -5.615 -2.106 2.837 285 HG2 GLU 40 1HG GLU 40 -7.129 -3.582 3.830 286 HG3 GLU 40 2HG GLU 40 -5.535 -4.199 4.260 287 H GLN 41 H GLN 41 -3.235 -4.200 4.922 288 HA GLN 41 HA GLN 41 -1.119 -4.261 3.020 289 HB2 GLN 41 1HB GLN 41 -0.901 -5.521 5.059 290 HB3 GLN 41 2HB GLN 41 -2.369 -6.426 4.714 291 HG2 GLN 41 1HG GLN 41 -1.349 -7.778 3.189 292 HG3 GLN 41 2HG GLN 41 -0.147 -6.564 2.752 293 HE21 GLN 41 1HE2 GLN 41 1.579 -7.949 2.977 294 HE22 GLN 41 2HE2 GLN 41 2.123 -8.526 4.512 295 H ARG 42 H ARG 42 -1.678 -4.165 0.918 296 HA ARG 42 HA ARG 42 -3.896 -5.761 -0.083 297 HB2 ARG 42 1HB ARG 42 -2.192 -3.568 -1.188 298 HB3 ARG 42 2HB ARG 42 -3.030 -4.636 -2.305 299 HG2 ARG 42 1HG ARG 42 -4.564 -3.373 -0.087 300 HG3 ARG 42 2HG ARG 42 -4.130 -2.408 -1.499 301 HD2 ARG 42 1HD ARG 42 -6.164 -3.231 -2.163 302 HD3 ARG 42 2HD ARG 42 -5.088 -4.471 -2.807 303 HE ARG 42 HE ARG 42 -5.786 -5.289 -0.261 304 HH11 ARG 42 1HH1 ARG 42 -7.409 -4.599 -3.263 305 HH12 ARG 42 2HH1 ARG 42 -8.691 -5.729 -2.980 306 HH21 ARG 42 1HH2 ARG 42 -7.469 -6.780 0.123 307 HH22 ARG 42 2HH2 ARG 42 -8.725 -6.969 -1.053 308 H GLU 43 H GLU 43 -0.637 -5.194 -1.406 309 HA GLU 43 HA GLU 43 -0.535 -8.049 -2.114 310 HB2 GLU 43 1HB GLU 43 1.148 -5.866 -3.332 311 HB3 GLU 43 2HB GLU 43 0.871 -7.489 -3.946 312 HG2 GLU 43 1HG GLU 43 -1.296 -5.423 -3.693 313 HG3 GLU 43 2HG GLU 43 -0.334 -5.657 -5.151 314 H ARG 44 H ARG 44 2.031 -8.537 -2.541 315 HA ARG 44 HA ARG 44 3.158 -9.116 -0.140 316 HB2 ARG 44 1HB ARG 44 4.290 -8.667 -2.856 317 HB3 ARG 44 2HB ARG 44 5.420 -8.788 -1.514 318 HG2 ARG 44 1HG ARG 44 3.303 -10.862 -1.930 319 HG3 ARG 44 2HG ARG 44 4.823 -10.914 -2.826 320 HD2 ARG 44 1HD ARG 44 6.002 -10.779 -0.602 321 HD3 ARG 44 2HD ARG 44 4.430 -11.029 0.156 322 HE ARG 44 HE ARG 44 5.174 -13.014 -1.809 323 HH11 ARG 44 1HH1 ARG 44 5.207 -12.086 1.546 324 HH12 ARG 44 2HH1 ARG 44 5.404 -13.707 2.127 325 HH21 ARG 44 1HH2 ARG 44 5.433 -15.151 -1.057 326 HH22 ARG 44 2HH2 ARG 44 5.534 -15.449 0.646 327 H PHE 45 H PHE 45 3.902 -6.216 -2.073 328 HA PHE 45 HA PHE 45 4.756 -4.898 0.418 329 HB2 PHE 45 1HB PHE 45 6.059 -4.824 -2.300 330 HB3 PHE 45 2HB PHE 45 6.363 -3.589 -1.083 331 HD1 PHE 45 HD1 PHE 45 6.870 -7.086 -2.014 332 HD2 PHE 45 HD2 PHE 45 7.640 -4.084 0.903 333 HE1 PHE 45 HE1 PHE 45 8.602 -8.514 -1.006 334 HE2 PHE 45 HE2 PHE 45 9.374 -5.506 1.915 335 HZ PHE 45 HZ PHE 45 9.857 -7.725 0.960 336 H LEU 46 H LEU 46 2.302 -4.971 -1.506 337 HA LEU 46 HA LEU 46 2.102 -2.084 -2.002 338 HB2 LEU 46 1HB LEU 46 1.647 -3.850 -3.806 339 HB3 LEU 46 2HB LEU 46 0.148 -4.162 -2.933 340 HG LEU 46 HG LEU 46 0.756 -1.370 -3.780 341 HD11 LEU 46 1HD1 LEU 46 0.423 -3.635 -5.587 342 HD12 LEU 46 2HD1 LEU 46 0.980 -1.994 -5.912 343 HD13 LEU 46 3HD1 LEU 46 -0.748 -2.342 -5.850 344 HD21 LEU 46 1HD2 LEU 46 -1.597 -3.024 -3.061 345 HD22 LEU 46 2HD2 LEU 46 -1.834 -1.746 -4.254 346 HD23 LEU 46 3HD2 LEU 46 -1.216 -1.352 -2.649 347 H LEU 47 H LEU 47 0.656 -0.830 -0.958 348 HA LEU 47 HA LEU 47 -1.271 -2.148 0.834 349 HB2 LEU 47 1HB LEU 47 0.273 0.351 1.497 350 HB3 LEU 47 2HB LEU 47 -0.841 -0.522 2.548 351 HG LEU 47 HG LEU 47 1.612 -1.899 1.542 352 HD11 LEU 47 1HD1 LEU 47 2.116 0.438 2.538 353 HD12 LEU 47 2HD1 LEU 47 3.019 -0.962 3.118 354 HD13 LEU 47 3HD1 LEU 47 1.687 -0.314 4.075 355 HD21 LEU 47 1HD2 LEU 47 1.083 -2.429 4.237 356 HD22 LEU 47 2HD2 LEU 47 0.765 -3.477 2.855 357 HD23 LEU 47 3HD2 LEU 47 -0.491 -2.386 3.442 358 H PHE 48 H PHE 48 -3.103 -0.785 1.445 359 HA PHE 48 HA PHE 48 -3.860 0.980 -0.773 360 HB2 PHE 48 1HB PHE 48 -5.270 -1.053 -0.125 361 HB3 PHE 48 2HB PHE 48 -5.717 -0.147 1.317 362 HD1 PHE 48 HD2 PHE 48 -5.789 -0.047 -2.386 363 HD2 PHE 48 HD1 PHE 48 -7.425 1.444 1.250 364 HE1 PHE 48 HE2 PHE 48 -7.573 1.077 -3.653 365 HE2 PHE 48 HE1 PHE 48 -9.212 2.569 -0.011 366 HZ PHE 48 HZ PHE 48 -9.288 2.388 -2.466 367 H CYS 49 H CYS 49 -3.352 3.035 -0.341 368 HA CYS 49 HA CYS 49 -3.510 4.073 2.362 369 HB2 CYS 49 1HB CYS 49 -2.916 5.766 -0.040 370 HB3 CYS 49 2HB CYS 49 -2.299 5.911 1.601 371 HG CYS 49 HG CYS 49 -1.351 3.049 0.234 372 H VAL 50 H VAL 50 -4.799 5.843 2.994 373 HA VAL 50 HA VAL 50 -6.937 6.681 1.192 374 HB VAL 50 HB VAL 50 -7.439 5.378 3.868 375 HG11 VAL 50 1HG1 VAL 50 -9.088 6.885 4.069 376 HG12 VAL 50 2HG1 VAL 50 -8.992 7.362 2.373 377 HG13 VAL 50 3HG1 VAL 50 -9.901 5.922 2.836 378 HG21 VAL 50 1HG2 VAL 50 -9.110 4.153 2.204 379 HG22 VAL 50 2HG2 VAL 50 -7.873 4.612 1.034 380 HG23 VAL 50 3HG2 VAL 50 -7.445 3.616 2.425 381 H HIS 51 H HIS 51 -7.526 8.758 1.480 382 HA HIS 51 HA HIS 51 -7.038 10.111 3.998 383 HB2 HIS 51 1HB HIS 51 -4.899 10.200 2.564 384 HB3 HIS 51 2HB HIS 51 -5.802 11.294 1.520 385 HD1 HIS 51 HD1 HIS 51 -4.847 13.533 1.996 386 HD2 HIS 51 HD2 HIS 51 -5.597 11.388 5.474 387 HE1 HIS 51 HE1 HIS 51 -4.357 15.121 3.883 388 HE2 HIS 51 HE2 HIS 51 -4.735 13.775 5.978 389 H GLY 52 H GLY 52 -7.975 12.272 4.059 390 HA2 GLY 52 1HA GLY 52 -9.917 12.787 1.905 391 HA3 GLY 52 2HA GLY 52 -10.464 12.708 3.574 392 H ASP 53 H ASP 53 -8.679 14.555 1.217 393 HA ASP 53 HA ASP 53 -8.376 16.758 3.133 394 HB2 ASP 53 1HB ASP 53 -6.940 17.754 1.284 395 HB3 ASP 53 2HB ASP 53 -6.313 16.300 2.055 396 H GLY 54 H GLY 54 -10.910 16.634 2.681 397 HA2 GLY 54 1HA GLY 54 -11.764 19.016 1.697 398 HA3 GLY 54 2HA GLY 54 -11.746 17.985 0.274 399 H HIS 55 H HIS 55 -13.582 16.978 -0.173 400 HA HIS 55 HA HIS 55 -15.580 16.708 1.963 401 HB2 HIS 55 1HB HIS 55 -15.820 16.846 -1.039 402 HB3 HIS 55 2HB HIS 55 -17.158 16.338 -0.014 403 HD1 HIS 55 HD1 HIS 55 -18.651 18.162 0.734 404 HD2 HIS 55 HD2 HIS 55 -14.872 19.569 -0.267 405 HE1 HIS 55 HE1 HIS 55 -18.784 20.663 0.955 406 HE2 HIS 55 HE2 HIS 55 -16.511 21.498 0.261 407 H ALA 56 H ALA 56 -16.531 14.765 2.440 408 HA ALA 56 HA ALA 56 -15.115 12.432 2.289 409 HB1 ALA 56 1HB ALA 56 -16.913 12.545 3.810 410 HB2 ALA 56 2HB ALA 56 -18.080 12.869 2.527 411 HB3 ALA 56 3HB ALA 56 -17.337 11.275 2.661 412 H GLU 57 H GLU 57 -17.831 13.326 0.155 413 HA GLU 57 HA GLU 57 -17.720 11.093 -1.510 414 HB2 GLU 57 1HB GLU 57 -19.516 12.899 -1.402 415 HB3 GLU 57 2HB GLU 57 -18.474 13.859 -2.443 416 HG2 GLU 57 1HG GLU 57 -18.628 12.258 -4.201 417 HG3 GLU 57 2HG GLU 57 -19.461 11.111 -3.154 418 H ASN 58 H ASN 58 -15.605 13.782 -1.273 419 HA ASN 58 HA ASN 58 -14.369 13.133 -3.860 420 HB2 ASN 58 1HB ASN 58 -14.185 15.587 -2.107 421 HB3 ASN 58 2HB ASN 58 -13.139 15.320 -3.499 422 HD21 ASN 58 1HD2 ASN 58 -16.514 15.582 -2.518 423 HD22 ASN 58 2HD2 ASN 58 -17.088 16.215 -4.020 424 H LEU 59 H LEU 59 -14.015 11.406 -1.636 425 HA LEU 59 HA LEU 59 -11.523 11.940 -0.347 426 HB2 LEU 59 1HB LEU 59 -13.453 10.415 0.415 427 HB3 LEU 59 2HB LEU 59 -12.736 9.216 -0.661 428 HG LEU 59 HG LEU 59 -10.573 9.649 0.708 429 HD11 LEU 59 1HD1 LEU 59 -11.546 11.616 1.895 430 HD12 LEU 59 2HD1 LEU 59 -10.886 10.375 2.960 431 HD13 LEU 59 3HD1 LEU 59 -12.630 10.507 2.734 432 HD21 LEU 59 1HD2 LEU 59 -11.148 7.550 1.177 433 HD22 LEU 59 2HD2 LEU 59 -12.870 7.927 1.118 434 HD23 LEU 59 3HD2 LEU 59 -11.959 8.189 2.606 435 H VAL 60 H VAL 60 -9.508 11.019 -0.725 436 HA VAL 60 HA VAL 60 -9.118 10.036 -3.467 437 HB VAL 60 HB VAL 60 -7.285 11.452 -1.549 438 HG11 VAL 60 1HG1 VAL 60 -5.660 11.122 -3.622 439 HG12 VAL 60 2HG1 VAL 60 -5.722 9.969 -2.288 440 HG13 VAL 60 3HG1 VAL 60 -6.589 9.632 -3.788 441 HG21 VAL 60 1HG2 VAL 60 -8.929 12.500 -3.347 442 HG22 VAL 60 2HG2 VAL 60 -7.341 13.193 -3.021 443 HG23 VAL 60 3HG2 VAL 60 -7.576 12.147 -4.421 444 H GLN 61 H GLN 61 -8.040 8.147 -3.888 445 HA GLN 61 HA GLN 61 -7.059 6.578 -1.616 446 HB2 GLN 61 1HB GLN 61 -9.226 5.814 -3.532 447 HB3 GLN 61 2HB GLN 61 -8.168 4.565 -2.889 448 HG2 GLN 61 1HG GLN 61 -8.984 4.764 -0.768 449 HG3 GLN 61 2HG GLN 61 -9.434 6.455 -0.981 450 HE21 GLN 61 1HE2 GLN 61 -11.262 5.070 0.225 451 HE22 GLN 61 2HE2 GLN 61 -12.574 4.640 -0.812 452 H TRP 62 H TRP 62 -5.007 6.146 -2.052 453 HA TRP 62 HA TRP 62 -4.309 5.216 -4.749 454 HB2 TRP 62 1HB TRP 62 -2.377 6.581 -4.876 455 HB3 TRP 62 2HB TRP 62 -3.673 7.652 -4.349 456 HD1 TRP 62 HD1 TRP 62 -0.251 6.549 -3.425 457 HE1 TRP 62 HE1 TRP 62 0.408 7.512 -1.131 458 HE3 TRP 62 HE3 TRP 62 -4.837 8.211 -1.895 459 HZ2 TRP 62 HZ2 TRP 62 -0.850 8.804 1.041 460 HZ3 TRP 62 HZ3 TRP 62 -5.023 9.299 0.304 461 HH2 TRP 62 HH2 TRP 62 -3.070 9.588 1.740 462 H GLU 63 H GLU 63 -2.681 3.675 -4.854 463 HA GLU 63 HA GLU 63 -2.076 2.381 -2.297 464 HB2 GLU 63 1HB GLU 63 -1.645 1.283 -5.076 465 HB3 GLU 63 2HB GLU 63 -1.610 0.390 -3.562 466 HG2 GLU 63 1HG GLU 63 -4.034 1.039 -3.275 467 HG3 GLU 63 2HG GLU 63 -3.985 1.594 -4.947 468 H MET 64 H MET 64 0.103 1.329 -2.125 469 HA MET 64 HA MET 64 2.225 2.752 -3.540 470 HB2 MET 64 1HB MET 64 1.987 2.652 -0.528 471 HB3 MET 64 2HB MET 64 3.409 3.207 -1.401 472 HG2 MET 64 1HG MET 64 2.187 5.051 -2.331 473 HG3 MET 64 2HG MET 64 0.682 4.453 -1.636 474 HE1 MET 64 1HE MET 64 4.050 6.435 -0.896 475 HE2 MET 64 2HE MET 64 4.216 6.091 0.826 476 HE3 MET 64 3HE MET 64 4.316 4.779 -0.350 477 H GLU 65 H GLU 65 3.559 1.265 -4.311 478 HA GLU 65 HA GLU 65 4.032 -1.165 -2.712 479 HB2 GLU 65 1HB GLU 65 2.868 -1.994 -4.544 480 HB3 GLU 65 2HB GLU 65 3.566 -0.818 -5.648 481 HG2 GLU 65 1HG GLU 65 5.697 -1.979 -5.572 482 HG3 GLU 65 2HG GLU 65 5.038 -3.139 -4.420 483 H VAL 66 H VAL 66 6.066 -1.472 -2.103 484 HA VAL 66 HA VAL 66 8.145 0.291 -3.032 485 HB VAL 66 HB VAL 66 8.546 -2.079 -1.221 486 HG11 VAL 66 1HG1 VAL 66 9.907 0.603 -1.184 487 HG12 VAL 66 2HG1 VAL 66 10.416 -0.893 -0.398 488 HG13 VAL 66 3HG1 VAL 66 10.488 -0.749 -2.155 489 HG21 VAL 66 1HG2 VAL 66 6.853 0.191 -0.765 490 HG22 VAL 66 2HG2 VAL 66 7.173 -1.190 0.285 491 HG23 VAL 66 3HG2 VAL 66 8.221 0.228 0.347 492 H CYS 67 H CYS 67 9.668 -0.115 -4.510 493 HA CYS 67 HA CYS 67 10.482 -2.795 -5.171 494 HB2 CYS 67 1HB CYS 67 8.300 -2.137 -6.506 495 HB3 CYS 67 2HB CYS 67 9.441 -1.248 -7.507 496 HG CYS 67 HG CYS 67 10.832 -3.396 -8.408 497 H LYS 68 H LYS 68 12.132 -2.750 -6.991 498 HA LYS 68 HA LYS 68 13.894 -0.470 -6.532 499 HB2 LYS 68 1HB LYS 68 14.283 -3.249 -7.593 500 HB3 LYS 68 2HB LYS 68 15.491 -2.010 -7.906 501 HG2 LYS 68 1HG LYS 68 16.309 -3.000 -6.002 502 HG3 LYS 68 2HG LYS 68 15.399 -1.642 -5.336 503 HD2 LYS 68 1HD LYS 68 14.791 -3.490 -4.016 504 HD3 LYS 68 2HD LYS 68 13.443 -3.266 -5.134 505 HE2 LYS 68 1HE LYS 68 14.564 -4.993 -6.610 506 HE3 LYS 68 2HE LYS 68 15.633 -5.328 -5.249 507 HZ1 LYS 68 1HZ LYS 68 13.289 -6.555 -5.672 508 HZ2 LYS 68 2HZ LYS 68 12.815 -5.332 -4.604 509 HZ3 LYS 68 3HZ LYS 68 14.030 -6.421 -4.157 510 H LEU 69 H LEU 69 14.386 1.018 -8.030 511 HA LEU 69 HA LEU 69 12.864 1.137 -10.443 512 HB2 LEU 69 1HB LEU 69 15.228 2.849 -9.717 513 HB3 LEU 69 2HB LEU 69 13.909 3.242 -10.818 514 HG LEU 69 HG LEU 69 13.276 2.745 -7.947 515 HD11 LEU 69 1HD1 LEU 69 15.292 4.461 -8.481 516 HD12 LEU 69 2HD1 LEU 69 14.157 4.652 -7.146 517 HD13 LEU 69 3HD1 LEU 69 13.900 5.530 -8.653 518 HD21 LEU 69 1HD2 LEU 69 12.129 4.975 -9.496 519 HD22 LEU 69 2HD2 LEU 69 11.347 3.809 -8.428 520 HD23 LEU 69 3HD2 LEU 69 11.754 3.355 -10.083 521 HA PRO 70 HA PRO 70 15.593 -1.010 -13.156 522 HB2 PRO 70 1HB PRO 70 14.726 0.029 -15.510 523 HB3 PRO 70 2HB PRO 70 13.801 -1.161 -14.586 524 HG2 PRO 70 1HG PRO 70 13.477 1.813 -14.704 525 HG3 PRO 70 2HG PRO 70 12.233 0.550 -14.729 526 HD2 PRO 70 1HD PRO 70 12.840 1.953 -12.494 527 HD3 PRO 70 2HD PRO 70 12.300 0.263 -12.443 528 H ARG 71 H ARG 71 15.122 2.432 -13.990 529 HA ARG 71 HA ARG 71 17.633 2.705 -15.267 530 HB2 ARG 71 1HB ARG 71 15.600 4.189 -15.568 531 HB3 ARG 71 2HB ARG 71 16.017 4.931 -14.029 532 HG2 ARG 71 1HG ARG 71 17.944 5.905 -14.874 533 HG3 ARG 71 2HG ARG 71 18.022 4.794 -16.242 534 HD2 ARG 71 1HD ARG 71 16.052 5.840 -17.220 535 HD3 ARG 71 2HD ARG 71 15.925 6.923 -15.835 536 HE ARG 71 HE ARG 71 17.719 7.165 -18.067 537 HH11 ARG 71 1HH1 ARG 71 17.177 7.988 -14.728 538 HH12 ARG 71 2HH1 ARG 71 18.196 9.388 -14.772 539 HH21 ARG 71 1HH2 ARG 71 19.064 9.006 -18.137 540 HH22 ARG 71 2HH2 ARG 71 19.268 9.967 -16.712 541 H LEU 72 H LEU 72 16.542 4.192 -12.211 542 HA LEU 72 HA LEU 72 19.201 4.780 -11.376 543 HB2 LEU 72 1HB LEU 72 16.535 4.846 -9.997 544 HB3 LEU 72 2HB LEU 72 18.033 5.230 -9.152 545 HG LEU 72 HG LEU 72 18.318 6.952 -11.124 546 HD11 LEU 72 1HD1 LEU 72 15.422 6.232 -11.175 547 HD12 LEU 72 2HD1 LEU 72 16.520 6.575 -12.512 548 HD13 LEU 72 3HD1 LEU 72 15.920 7.892 -11.503 549 HD21 LEU 72 1HD2 LEU 72 17.226 7.039 -8.476 550 HD22 LEU 72 2HD2 LEU 72 16.428 8.239 -9.493 551 HD23 LEU 72 3HD2 LEU 72 18.184 8.250 -9.329 552 H SER 73 H SER 73 20.240 3.956 -9.444 553 HA SER 73 HA SER 73 19.796 1.071 -9.152 554 HB2 SER 73 1HB SER 73 22.186 2.842 -8.664 555 HB3 SER 73 2HB SER 73 22.110 1.195 -8.037 556 HG SER 73 HG SER 73 21.577 0.657 -10.342 557 H LEU 74 H LEU 74 17.922 2.495 -7.832 558 HA LEU 74 HA LEU 74 18.560 1.887 -5.055 559 HB2 LEU 74 1HB LEU 74 17.392 4.545 -5.864 560 HB3 LEU 74 2HB LEU 74 17.733 3.999 -4.223 561 HG LEU 74 HG LEU 74 20.197 3.852 -5.115 562 HD11 LEU 74 1HD1 LEU 74 18.821 5.029 -7.327 563 HD12 LEU 74 2HD1 LEU 74 20.524 4.596 -7.176 564 HD13 LEU 74 3HD1 LEU 74 19.970 6.190 -6.662 565 HD21 LEU 74 1HD2 LEU 74 20.470 6.285 -4.493 566 HD22 LEU 74 2HD2 LEU 74 19.648 5.272 -3.306 567 HD23 LEU 74 3HD2 LEU 74 18.714 6.353 -4.341 568 H ASN 75 H ASN 75 16.516 2.162 -3.670 569 HA ASN 75 HA ASN 75 14.355 0.819 -5.074 570 HB2 ASN 75 1HB ASN 75 14.385 1.491 -2.139 571 HB3 ASN 75 2HB ASN 75 13.543 0.177 -2.955 572 HD21 ASN 75 1HD2 ASN 75 14.443 -1.750 -2.873 573 HD22 ASN 75 2HD2 ASN 75 16.096 -2.082 -2.492 574 H GLY 76 H GLY 76 12.556 1.788 -5.748 575 HA2 GLY 76 1HA GLY 76 11.928 4.455 -4.638 576 HA3 GLY 76 2HA GLY 76 11.704 4.044 -6.332 577 H VAL 77 H VAL 77 9.743 5.042 -4.428 578 HA VAL 77 HA VAL 77 7.999 2.795 -3.864 579 HB VAL 77 HB VAL 77 7.529 5.757 -3.498 580 HG11 VAL 77 1HG1 VAL 77 5.390 5.123 -3.307 581 HG12 VAL 77 2HG1 VAL 77 5.810 3.414 -3.183 582 HG13 VAL 77 3HG1 VAL 77 5.880 4.446 -1.754 583 HG21 VAL 77 1HG2 VAL 77 8.287 3.647 -1.480 584 HG22 VAL 77 2HG2 VAL 77 9.372 4.875 -2.131 585 HG23 VAL 77 3HG2 VAL 77 7.990 5.353 -1.147 586 H ARG 78 H ARG 78 6.079 2.331 -4.873 587 HA ARG 78 HA ARG 78 5.682 3.618 -7.481 588 HB2 ARG 78 1HB ARG 78 6.011 1.054 -7.139 589 HB3 ARG 78 2HB ARG 78 4.327 1.081 -6.632 590 HG2 ARG 78 1HG ARG 78 3.557 1.572 -8.729 591 HG3 ARG 78 2HG ARG 78 5.058 2.366 -9.212 592 HD2 ARG 78 1HD ARG 78 6.147 0.327 -9.588 593 HD3 ARG 78 2HD ARG 78 4.948 -0.582 -8.669 594 HE ARG 78 HE ARG 78 4.758 0.266 -11.429 595 HH11 ARG 78 1HH1 ARG 78 3.078 -0.913 -8.617 596 HH12 ARG 78 2HH1 ARG 78 1.738 -1.538 -9.519 597 HH21 ARG 78 1HH2 ARG 78 2.999 -0.554 -12.628 598 HH22 ARG 78 2HH2 ARG 78 1.695 -1.335 -11.801 599 H PHE 79 H PHE 79 4.203 5.173 -7.486 600 HA PHE 79 HA PHE 79 1.966 5.053 -5.608 601 HB2 PHE 79 1HB PHE 79 3.222 7.233 -7.237 602 HB3 PHE 79 2HB PHE 79 1.570 7.421 -6.658 603 HD1 PHE 79 HD2 PHE 79 4.942 6.460 -5.385 604 HD2 PHE 79 HD1 PHE 79 1.244 8.425 -4.621 605 HE1 PHE 79 HE2 PHE 79 5.798 7.217 -3.205 606 HE2 PHE 79 HE1 PHE 79 2.094 9.186 -2.441 607 HZ PHE 79 HZ PHE 79 4.373 8.580 -1.730 608 H LYS 80 H LYS 80 -0.023 4.504 -6.210 609 HA LYS 80 HA LYS 80 -0.733 4.650 -9.061 610 HB2 LYS 80 1HB LYS 80 -0.169 2.313 -8.401 611 HB3 LYS 80 2HB LYS 80 -1.458 2.375 -7.207 612 HG2 LYS 80 1HG LYS 80 -3.120 2.584 -8.912 613 HG3 LYS 80 2HG LYS 80 -1.885 2.763 -10.160 614 HD2 LYS 80 1HD LYS 80 -2.377 0.545 -10.417 615 HD3 LYS 80 2HD LYS 80 -1.093 0.426 -9.211 616 HE2 LYS 80 1HE LYS 80 -2.665 -0.892 -8.216 617 HE3 LYS 80 2HE LYS 80 -3.133 0.669 -7.545 618 HZ1 LYS 80 1HZ LYS 80 -5.139 0.232 -8.362 619 HZ2 LYS 80 2HZ LYS 80 -4.583 -1.060 -9.301 620 HZ3 LYS 80 3HZ LYS 80 -4.496 0.520 -9.901 621 H ARG 81 H ARG 81 -2.582 5.685 -9.440 622 HA ARG 81 HA ARG 81 -4.168 6.622 -7.218 623 HB2 ARG 81 1HB ARG 81 -3.550 7.986 -9.277 624 HB3 ARG 81 2HB ARG 81 -4.743 7.032 -10.149 625 HG2 ARG 81 1HG ARG 81 -6.496 7.827 -8.676 626 HG3 ARG 81 2HG ARG 81 -5.313 8.734 -7.731 627 HD2 ARG 81 1HD ARG 81 -6.099 10.389 -9.104 628 HD3 ARG 81 2HD ARG 81 -4.746 9.796 -10.066 629 HE ARG 81 HE ARG 81 -7.567 9.514 -10.656 630 HH11 ARG 81 1HH1 ARG 81 -4.320 8.461 -11.339 631 HH12 ARG 81 2HH1 ARG 81 -4.713 7.834 -12.905 632 HH21 ARG 81 1HH2 ARG 81 -8.098 8.693 -12.717 633 HH22 ARG 81 2HH2 ARG 81 -6.862 7.967 -13.688 634 H ILE 82 H ILE 82 -6.437 6.316 -7.000 635 HA ILE 82 HA ILE 82 -7.529 3.980 -8.411 636 HB ILE 82 HB ILE 82 -7.988 4.449 -5.471 637 HG12 ILE 82 1HG1 ILE 82 -5.587 4.003 -5.895 638 HG13 ILE 82 2HG1 ILE 82 -6.366 2.696 -5.010 639 HG21 ILE 82 1HG2 ILE 82 -9.043 2.646 -7.460 640 HG22 ILE 82 2HG2 ILE 82 -8.296 1.761 -6.131 641 HG23 ILE 82 3HG2 ILE 82 -9.576 2.929 -5.803 642 HD11 ILE 82 1HD1 ILE 82 -6.247 2.468 -7.958 643 HD12 ILE 82 2HD1 ILE 82 -4.749 2.255 -7.051 644 HD13 ILE 82 3HD1 ILE 82 -6.138 1.222 -6.715 645 H SER 83 H SER 83 -8.339 6.654 -6.201 646 HA SER 83 HA SER 83 -10.716 7.185 -7.837 647 HB2 SER 83 1HB SER 83 -11.457 5.884 -5.879 648 HB3 SER 83 2HB SER 83 -10.714 7.073 -4.810 649 HG SER 83 HG SER 83 -13.087 7.230 -5.372 650 H GLY 84 H GLY 84 -11.708 9.359 -7.205 651 HA2 GLY 84 1HA GLY 84 -11.491 11.609 -6.654 652 HA3 GLY 84 2HA GLY 84 -9.885 11.272 -6.023 653 H THR 85 H THR 85 -10.769 13.462 -7.738 654 HA THR 85 HA THR 85 -9.869 13.004 -10.398 655 HB THR 85 HB THR 85 -11.407 14.892 -9.538 656 HG1 THR 85 HG1 THR 85 -9.352 15.799 -11.261 657 HG21 THR 85 1HG2 THR 85 -10.373 16.944 -8.892 658 HG22 THR 85 2HG2 THR 85 -8.760 16.296 -9.193 659 HG23 THR 85 3HG2 THR 85 -9.720 15.684 -7.846 660 H SER 86 H SER 86 -7.964 13.749 -11.406 661 HA SER 86 HA SER 86 -5.574 13.100 -10.424 662 HB2 SER 86 1HB SER 86 -4.626 15.074 -11.837 663 HB3 SER 86 2HB SER 86 -5.541 13.804 -12.651 664 HG SER 86 HG SER 86 -6.670 15.440 -13.353 665 H ILE 87 H ILE 87 -6.552 16.530 -10.348 666 HA ILE 87 HA ILE 87 -4.650 17.609 -8.784 667 HB ILE 87 HB ILE 87 -7.607 18.145 -8.481 668 HG12 ILE 87 1HG1 ILE 87 -5.493 19.403 -10.242 669 HG13 ILE 87 2HG1 ILE 87 -6.866 18.439 -10.776 670 HG21 ILE 87 1HG2 ILE 87 -7.105 20.123 -7.368 671 HG22 ILE 87 2HG2 ILE 87 -5.979 18.966 -6.661 672 HG23 ILE 87 3HG2 ILE 87 -5.420 20.102 -7.887 673 HD11 ILE 87 1HD1 ILE 87 -8.093 20.266 -10.929 674 HD12 ILE 87 2HD1 ILE 87 -7.842 20.599 -9.215 675 HD13 ILE 87 3HD1 ILE 87 -6.711 21.231 -10.411 676 H ALA 88 H ALA 88 -7.624 16.187 -7.414 677 HA ALA 88 HA ALA 88 -6.944 16.363 -4.737 678 HB1 ALA 88 1HB ALA 88 -9.135 15.571 -5.928 679 HB2 ALA 88 2HB ALA 88 -8.434 13.968 -5.704 680 HB3 ALA 88 3HB ALA 88 -8.742 14.998 -4.306 681 H PHE 89 H PHE 89 -6.009 13.963 -7.126 682 HA PHE 89 HA PHE 89 -4.841 12.154 -5.246 683 HB2 PHE 89 1HB PHE 89 -5.533 11.209 -7.309 684 HB3 PHE 89 2HB PHE 89 -4.667 12.424 -8.243 685 HD1 PHE 89 HD1 PHE 89 -3.745 10.055 -5.507 686 HD2 PHE 89 HD2 PHE 89 -2.911 11.537 -9.409 687 HE1 PHE 89 HE1 PHE 89 -1.807 8.547 -5.662 688 HE2 PHE 89 HE2 PHE 89 -0.973 10.031 -9.571 689 HZ PHE 89 HZ PHE 89 -0.419 8.533 -7.696 690 H LYS 90 H LYS 90 -3.652 14.791 -7.252 691 HA LYS 90 HA LYS 90 -0.892 14.329 -6.605 692 HB2 LYS 90 1HB LYS 90 -2.424 16.375 -8.136 693 HB3 LYS 90 2HB LYS 90 -0.822 16.814 -7.558 694 HG2 LYS 90 1HG LYS 90 0.237 15.294 -8.914 695 HG3 LYS 90 2HG LYS 90 -1.181 14.249 -9.030 696 HD2 LYS 90 1HD LYS 90 -0.499 15.656 -11.087 697 HD3 LYS 90 2HD LYS 90 -2.202 15.599 -10.623 698 HE2 LYS 90 1HE LYS 90 -2.196 17.761 -9.831 699 HE3 LYS 90 2HE LYS 90 -0.463 17.750 -9.508 700 HZ1 LYS 90 1HZ LYS 90 -1.137 19.144 -11.427 701 HZ2 LYS 90 2HZ LYS 90 -1.634 17.744 -12.235 702 HZ3 LYS 90 3HZ LYS 90 -0.006 17.950 -11.823 703 H ASN 91 H ASN 91 -3.523 16.089 -5.214 704 HA ASN 91 HA ASN 91 -2.076 17.995 -3.727 705 HB2 ASN 91 1HB ASN 91 -4.662 17.708 -4.174 706 HB3 ASN 91 2HB ASN 91 -4.608 16.821 -2.653 707 HD21 ASN 91 1HD2 ASN 91 -5.474 19.631 -3.773 708 HD22 ASN 91 2HD2 ASN 91 -4.998 20.687 -2.491 709 H ILE 92 H ILE 92 -3.173 14.718 -2.935 710 HA ILE 92 HA ILE 92 -1.955 14.818 -0.314 711 HB ILE 92 HB ILE 92 -4.058 13.551 -0.751 712 HG12 ILE 92 1HG1 ILE 92 -3.535 11.775 0.735 713 HG13 ILE 92 2HG1 ILE 92 -1.871 11.690 0.169 714 HG21 ILE 92 1HG2 ILE 92 -4.205 12.101 -2.423 715 HG22 ILE 92 2HG2 ILE 92 -2.533 12.458 -2.856 716 HG23 ILE 92 3HG2 ILE 92 -2.893 11.141 -1.739 717 HD11 ILE 92 1HD1 ILE 92 -2.204 12.712 2.431 718 HD12 ILE 92 2HD1 ILE 92 -1.302 13.699 1.280 719 HD13 ILE 92 3HD1 ILE 92 -2.993 14.066 1.623 720 H ALA 93 H ALA 93 -1.084 13.822 -3.498 721 HA ALA 93 HA ALA 93 0.946 11.957 -2.805 722 HB1 ALA 93 1HB ALA 93 -0.239 12.319 -5.070 723 HB2 ALA 93 2HB ALA 93 0.987 13.559 -5.333 724 HB3 ALA 93 3HB ALA 93 1.470 11.884 -5.064 725 H SER 94 H SER 94 0.894 15.437 -3.332 726 HA SER 94 HA SER 94 3.686 15.841 -3.377 727 HB2 SER 94 1HB SER 94 1.727 17.459 -3.995 728 HB3 SER 94 2HB SER 94 1.797 17.906 -2.291 729 HG SER 94 HG SER 94 4.169 18.161 -2.774 730 H LYS 95 H LYS 95 1.553 15.042 -0.849 731 HA LYS 95 HA LYS 95 3.170 16.176 1.267 732 HB2 LYS 95 1HB LYS 95 0.883 14.214 1.496 733 HB3 LYS 95 2HB LYS 95 1.553 15.212 2.780 734 HG2 LYS 95 1HG LYS 95 0.255 16.355 0.323 735 HG3 LYS 95 2HG LYS 95 -0.626 15.993 1.809 736 HD2 LYS 95 1HD LYS 95 -0.116 18.183 2.203 737 HD3 LYS 95 2HD LYS 95 1.329 17.428 2.879 738 HE2 LYS 95 1HE LYS 95 2.309 19.003 1.551 739 HE3 LYS 95 2HE LYS 95 2.187 17.681 0.392 740 HZ1 LYS 95 1HZ LYS 95 0.854 20.233 0.414 741 HZ2 LYS 95 2HZ LYS 95 -0.186 18.934 0.114 742 HZ3 LYS 95 3HZ LYS 95 1.161 19.184 -0.878 743 H ILE 96 H ILE 96 2.086 12.841 0.599 744 HA ILE 96 HA ILE 96 3.781 11.474 2.243 745 HB ILE 96 HB ILE 96 3.125 10.548 -0.552 746 HG12 ILE 96 1HG1 ILE 96 1.022 11.149 0.290 747 HG13 ILE 96 2HG1 ILE 96 1.151 9.442 0.702 748 HG21 ILE 96 1HG2 ILE 96 3.216 8.317 0.446 749 HG22 ILE 96 2HG2 ILE 96 4.746 9.172 0.638 750 HG23 ILE 96 3HG2 ILE 96 3.638 9.030 2.003 751 HD11 ILE 96 1HD1 ILE 96 1.253 11.832 2.471 752 HD12 ILE 96 2HD1 ILE 96 0.349 10.328 2.653 753 HD13 ILE 96 3HD1 ILE 96 2.086 10.355 2.956 754 H ALA 97 H ALA 97 4.472 12.463 -1.104 755 HA ALA 97 HA ALA 97 6.967 11.380 -1.451 756 HB1 ALA 97 1HB ALA 97 6.995 14.039 -2.509 757 HB2 ALA 97 2HB ALA 97 6.835 12.502 -3.360 758 HB3 ALA 97 3HB ALA 97 5.401 13.324 -2.745 759 H ASN 98 H ASN 98 6.309 14.647 -0.168 760 HA ASN 98 HA ASN 98 9.009 15.130 0.561 761 HB2 ASN 98 1HB ASN 98 7.757 17.076 0.242 762 HB3 ASN 98 2HB ASN 98 6.393 16.468 1.175 763 HD21 ASN 98 1HD2 ASN 98 6.290 18.248 2.500 764 HD22 ASN 98 2HD2 ASN 98 7.485 18.593 3.699 765 H GLU 99 H GLU 99 6.155 14.696 2.663 766 HA GLU 99 HA GLU 99 7.273 14.516 5.100 767 HB2 GLU 99 1HB GLU 99 5.137 12.699 3.976 768 HB3 GLU 99 2HB GLU 99 5.527 12.817 5.686 769 HG2 GLU 99 1HG GLU 99 4.446 15.002 3.924 770 HG3 GLU 99 2HG GLU 99 3.594 14.154 5.213 771 H LEU 100 H LEU 100 7.066 11.782 2.830 772 HA LEU 100 HA LEU 100 8.153 9.745 4.217 773 HB2 LEU 100 1HB LEU 100 8.470 10.610 1.386 774 HB3 LEU 100 2HB LEU 100 9.450 9.267 1.972 775 HG LEU 100 HG LEU 100 6.440 9.328 2.115 776 HD11 LEU 100 1HD1 LEU 100 6.556 7.737 0.203 777 HD12 LEU 100 2HD1 LEU 100 8.260 8.151 0.024 778 HD13 LEU 100 3HD1 LEU 100 7.024 9.389 -0.203 779 HD21 LEU 100 1HD2 LEU 100 6.545 7.145 2.833 780 HD22 LEU 100 2HD2 LEU 100 7.960 7.836 3.627 781 HD23 LEU 100 3HD2 LEU 100 8.152 6.884 2.155 782 H LYS 101 H LYS 101 9.687 10.058 5.737 783 HA LYS 101 HA LYS 101 11.992 11.699 5.317 784 HB2 LYS 101 1HB LYS 101 10.770 11.023 7.539 785 HB3 LYS 101 2HB LYS 101 11.842 9.630 7.477 786 HG2 LYS 101 1HG LYS 101 12.776 12.490 7.404 787 HG3 LYS 101 2HG LYS 101 12.690 11.501 8.863 788 HD2 LYS 101 1HD LYS 101 14.160 9.832 7.594 789 HD3 LYS 101 2HD LYS 101 14.455 11.150 6.457 790 HE2 LYS 101 1HE LYS 101 15.091 12.522 8.535 791 HE3 LYS 101 2HE LYS 101 15.186 10.968 9.362 792 HZ1 LYS 101 1HZ LYS 101 17.224 10.762 8.560 793 HZ2 LYS 101 2HZ LYS 101 17.074 12.176 7.645 794 HZ3 LYS 101 3HZ LYS 101 16.593 10.692 6.992 795 H LEU 102 H LEU 102 12.480 10.471 3.239 796 HA LEU 102 HA LEU 102 14.374 8.307 3.867 797 HB2 LEU 102 1HB LEU 102 12.778 8.443 1.323 798 HB3 LEU 102 2HB LEU 102 13.771 7.111 1.913 799 HG LEU 102 HG LEU 102 11.280 8.003 3.342 800 HD11 LEU 102 1HD1 LEU 102 10.258 5.976 2.174 801 HD12 LEU 102 2HD1 LEU 102 11.573 6.139 1.010 802 HD13 LEU 102 3HD1 LEU 102 10.426 7.459 1.235 803 HD21 LEU 102 1HD2 LEU 102 11.370 5.800 4.314 804 HD22 LEU 102 2HD2 LEU 102 12.924 6.601 4.550 805 HD23 LEU 102 3HD2 LEU 102 12.747 5.368 3.300 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -0.252 19.282 -17.257 2 HA2 GLY 1 1HA GLY 1 -1.802 20.698 -16.300 3 HA3 GLY 1 2HA GLY 1 -1.106 22.013 -17.235 4 H SER 2 H SER 2 -1.555 21.608 -19.742 5 HA SER 2 HA SER 2 -4.468 21.454 -19.937 6 HB2 SER 2 1HB SER 2 -4.169 22.574 -22.118 7 HB3 SER 2 2HB SER 2 -3.405 23.480 -20.811 8 HG SER 2 HG SER 2 -1.483 23.054 -21.618 9 H SER 3 H SER 3 -3.230 18.996 -19.628 10 HA SER 3 HA SER 3 -4.138 17.646 -21.995 11 HB2 SER 3 1HB SER 3 -1.225 17.916 -21.405 12 HB3 SER 3 2HB SER 3 -1.806 16.368 -22.018 13 HG SER 3 HG SER 3 -1.445 17.443 -23.840 14 H GLY 4 H GLY 4 -4.916 15.674 -21.500 15 HA2 GLY 4 1HA GLY 4 -4.795 14.840 -18.726 16 HA3 GLY 4 2HA GLY 4 -5.783 14.125 -19.991 17 H SER 5 H SER 5 -4.652 12.394 -18.338 18 HA SER 5 HA SER 5 -2.030 11.567 -18.990 19 HB2 SER 5 1HB SER 5 -4.299 9.910 -17.859 20 HB3 SER 5 2HB SER 5 -2.584 9.502 -17.799 21 HG SER 5 HG SER 5 -3.982 10.993 -16.101 22 H SER 6 H SER 6 -1.249 10.295 -20.564 23 HA SER 6 HA SER 6 -2.919 8.503 -22.069 24 HB2 SER 6 1HB SER 6 -2.545 9.573 -24.258 25 HB3 SER 6 2HB SER 6 -3.466 10.622 -23.181 26 HG SER 6 HG SER 6 -0.668 10.844 -23.286 27 H GLY 7 H GLY 7 -1.710 6.779 -22.474 28 HA2 GLY 7 1HA GLY 7 0.378 6.169 -23.818 29 HA3 GLY 7 2HA GLY 7 1.215 7.132 -22.609 30 H ARG 8 H ARG 8 2.065 4.620 -22.916 31 HA ARG 8 HA ARG 8 0.878 2.526 -21.616 32 HB2 ARG 8 1HB ARG 8 3.738 3.354 -21.923 33 HB3 ARG 8 2HB ARG 8 3.345 1.968 -20.915 34 HG2 ARG 8 1HG ARG 8 2.059 1.084 -22.934 35 HG3 ARG 8 2HG ARG 8 2.913 2.321 -23.858 36 HD2 ARG 8 1HD ARG 8 5.056 1.385 -23.048 37 HD3 ARG 8 2HD ARG 8 4.157 0.106 -22.234 38 HE ARG 8 HE ARG 8 3.486 0.213 -24.985 39 HH11 ARG 8 1HH1 ARG 8 6.001 -0.799 -22.801 40 HH12 ARG 8 2HH1 ARG 8 6.597 -2.038 -23.854 41 HH21 ARG 8 1HH2 ARG 8 4.262 -1.416 -26.381 42 HH22 ARG 8 2HH2 ARG 8 5.608 -2.387 -25.891 43 H PHE 9 H PHE 9 0.378 2.000 -19.576 44 HA PHE 9 HA PHE 9 0.907 3.964 -17.492 45 HB2 PHE 9 1HB PHE 9 -1.023 1.717 -17.851 46 HB3 PHE 9 2HB PHE 9 -0.613 2.205 -16.209 47 HD1 PHE 9 HD1 PHE 9 -1.084 4.522 -15.461 48 HD2 PHE 9 HD2 PHE 9 -2.444 3.029 -19.208 49 HE1 PHE 9 HE1 PHE 9 -2.712 6.363 -15.601 50 HE2 PHE 9 HE2 PHE 9 -4.073 4.867 -19.354 51 HZ PHE 9 HZ PHE 9 -4.208 6.537 -17.549 52 H THR 10 H THR 10 3.009 3.676 -16.864 53 HA THR 10 HA THR 10 3.582 1.154 -15.473 54 HB THR 10 HB THR 10 5.904 1.181 -16.279 55 HG1 THR 10 HG1 THR 10 4.971 3.408 -17.779 56 HG21 THR 10 1HG2 THR 10 5.377 0.675 -18.730 57 HG22 THR 10 2HG2 THR 10 3.706 1.072 -18.328 58 HG23 THR 10 3HG2 THR 10 4.516 -0.264 -17.512 59 H TRP 11 H TRP 11 5.370 1.351 -13.908 60 HA TRP 11 HA TRP 11 5.011 3.368 -12.084 61 HB2 TRP 11 1HB TRP 11 7.718 2.109 -12.416 62 HB3 TRP 11 2HB TRP 11 6.871 2.537 -10.932 63 HD1 TRP 11 HD1 TRP 11 8.018 -0.438 -12.275 64 HE1 TRP 11 HE1 TRP 11 6.457 -2.447 -11.888 65 HE3 TRP 11 HE3 TRP 11 3.716 2.083 -11.146 66 HZ2 TRP 11 HZ2 TRP 11 3.759 -2.903 -11.195 67 HZ3 TRP 11 HZ3 TRP 11 1.689 0.786 -10.634 68 HH2 TRP 11 HH2 TRP 11 1.712 -1.656 -10.659 69 H SER 12 H SER 12 5.572 5.441 -11.930 70 HA SER 12 HA SER 12 7.952 6.469 -13.197 71 HB2 SER 12 1HB SER 12 6.813 8.136 -14.576 72 HB3 SER 12 2HB SER 12 6.321 6.512 -15.057 73 HG SER 12 HG SER 12 4.872 8.350 -13.455 74 H MET 13 H MET 13 8.797 7.603 -11.585 75 HA MET 13 HA MET 13 7.314 9.776 -10.407 76 HB2 MET 13 1HB MET 13 7.986 8.915 -8.049 77 HB3 MET 13 2HB MET 13 6.539 8.274 -8.815 78 HG2 MET 13 1HG MET 13 7.482 6.341 -8.091 79 HG3 MET 13 2HG MET 13 8.213 6.448 -9.691 80 HE1 MET 13 1HE MET 13 8.462 6.704 -6.004 81 HE2 MET 13 2HE MET 13 9.339 5.208 -6.327 82 HE3 MET 13 3HE MET 13 10.183 6.594 -5.634 83 H LYS 14 H LYS 14 8.702 11.062 -8.905 84 HA LYS 14 HA LYS 14 11.502 10.936 -9.803 85 HB2 LYS 14 1HB LYS 14 9.882 13.280 -8.791 86 HB3 LYS 14 2HB LYS 14 11.589 13.350 -9.209 87 HG2 LYS 14 1HG LYS 14 11.154 13.010 -11.492 88 HG3 LYS 14 2HG LYS 14 9.500 12.479 -11.180 89 HD2 LYS 14 1HD LYS 14 9.253 14.881 -10.156 90 HD3 LYS 14 2HD LYS 14 10.647 15.236 -11.179 91 HE2 LYS 14 1HE LYS 14 8.752 15.767 -12.476 92 HE3 LYS 14 2HE LYS 14 9.327 14.217 -13.087 93 HZ1 LYS 14 1HZ LYS 14 6.806 14.630 -12.531 94 HZ2 LYS 14 2HZ LYS 14 7.303 14.185 -10.977 95 HZ3 LYS 14 3HZ LYS 14 7.527 13.122 -12.274 96 H THR 15 H THR 15 10.385 9.393 -7.590 97 HA THR 15 HA THR 15 11.880 10.588 -5.347 98 HB THR 15 HB THR 15 9.689 8.522 -5.109 99 HG1 THR 15 HG1 THR 15 8.280 10.148 -4.846 100 HG21 THR 15 1HG2 THR 15 9.686 9.515 -2.735 101 HG22 THR 15 2HG2 THR 15 11.267 10.171 -3.157 102 HG23 THR 15 3HG2 THR 15 11.003 8.428 -3.174 103 H THR 16 H THR 16 13.333 9.332 -4.217 104 HA THR 16 HA THR 16 13.723 6.555 -5.038 105 HB THR 16 HB THR 16 16.290 7.167 -5.037 106 HG1 THR 16 HG1 THR 16 14.973 9.611 -5.373 107 HG21 THR 16 1HG2 THR 16 15.850 6.294 -7.053 108 HG22 THR 16 2HG2 THR 16 15.668 7.959 -7.607 109 HG23 THR 16 3HG2 THR 16 14.251 7.033 -7.114 110 H SER 17 H SER 17 14.882 5.289 -3.541 111 HA SER 17 HA SER 17 15.682 6.550 -1.032 112 HB2 SER 17 1HB SER 17 14.352 5.044 0.330 113 HB3 SER 17 2HB SER 17 13.287 5.906 -0.780 114 HG SER 17 HG SER 17 14.096 3.216 -0.810 115 H SER 18 H SER 18 17.492 5.682 -0.243 116 HA SER 18 HA SER 18 18.719 3.480 -1.634 117 HB2 SER 18 1HB SER 18 20.074 5.394 -0.921 118 HB3 SER 18 2HB SER 18 19.667 5.069 0.764 119 HG SER 18 HG SER 18 21.734 4.218 0.029 120 H MET 19 H MET 19 17.670 4.089 1.712 121 HA MET 19 HA MET 19 18.342 1.852 3.027 122 HB2 MET 19 1HB MET 19 16.013 1.975 4.123 123 HB3 MET 19 2HB MET 19 17.061 3.382 4.243 124 HG2 MET 19 1HG MET 19 15.836 4.256 2.186 125 HG3 MET 19 2HG MET 19 14.653 2.990 2.506 126 HE1 MET 19 1HE MET 19 12.615 3.967 5.274 127 HE2 MET 19 2HE MET 19 13.391 2.654 4.389 128 HE3 MET 19 3HE MET 19 14.058 3.194 5.930 129 H ASP 20 H ASP 20 17.511 -0.241 3.357 130 HA ASP 20 HA ASP 20 16.764 -1.625 1.030 131 HB2 ASP 20 1HB ASP 20 16.138 -3.445 2.841 132 HB3 ASP 20 2HB ASP 20 17.818 -3.013 2.534 133 HA PRO 21 HA PRO 21 12.390 -1.381 0.833 134 HB2 PRO 21 1HB PRO 21 11.705 -3.897 0.075 135 HB3 PRO 21 2HB PRO 21 12.495 -2.748 -1.011 136 HG2 PRO 21 1HG PRO 21 13.690 -4.998 0.561 137 HG3 PRO 21 2HG PRO 21 14.009 -4.510 -1.113 138 HD2 PRO 21 1HD PRO 21 15.656 -3.855 0.934 139 HD3 PRO 21 2HD PRO 21 15.426 -2.806 -0.480 140 H SER 22 H SER 22 13.883 -3.579 3.012 141 HA SER 22 HA SER 22 11.489 -4.583 4.218 142 HB2 SER 22 1HB SER 22 13.664 -5.792 4.299 143 HB3 SER 22 2HB SER 22 14.298 -4.523 5.348 144 HG SER 22 HG SER 22 11.908 -5.773 6.080 145 H ASP 23 H ASP 23 13.444 -1.757 4.591 146 HA ASP 23 HA ASP 23 12.262 -1.086 7.169 147 HB2 ASP 23 1HB ASP 23 14.232 0.469 5.477 148 HB3 ASP 23 2HB ASP 23 13.761 0.848 7.132 149 H MET 24 H MET 24 12.056 -0.194 3.795 150 HA MET 24 HA MET 24 10.698 2.229 3.996 151 HB2 MET 24 1HB MET 24 10.867 0.086 1.929 152 HB3 MET 24 2HB MET 24 9.625 1.318 1.746 153 HG2 MET 24 1HG MET 24 11.263 3.056 1.691 154 HG3 MET 24 2HG MET 24 12.548 1.923 2.103 155 HE1 MET 24 1HE MET 24 10.236 2.339 -1.772 156 HE2 MET 24 2HE MET 24 9.920 3.055 -0.192 157 HE3 MET 24 3HE MET 24 11.172 3.733 -1.233 158 H MET 25 H MET 25 9.235 -0.975 3.399 159 HA MET 25 HA MET 25 6.609 -0.453 3.492 160 HB2 MET 25 1HB MET 25 8.144 -2.704 4.759 161 HB3 MET 25 2HB MET 25 6.390 -2.642 4.860 162 HG2 MET 25 1HG MET 25 8.032 -2.731 2.341 163 HG3 MET 25 2HG MET 25 7.086 -4.049 3.027 164 HE1 MET 25 1HE MET 25 3.475 -3.223 2.235 165 HE2 MET 25 2HE MET 25 4.666 -4.473 2.593 166 HE3 MET 25 3HE MET 25 4.340 -3.203 3.773 167 H ARG 26 H ARG 26 8.676 -0.713 6.367 168 HA ARG 26 HA ARG 26 6.659 -0.304 8.278 169 HB2 ARG 26 1HB ARG 26 9.099 -1.089 8.597 170 HB3 ARG 26 2HB ARG 26 9.495 0.624 8.651 171 HG2 ARG 26 1HG ARG 26 8.354 0.958 10.639 172 HG3 ARG 26 2HG ARG 26 7.376 -0.497 10.436 173 HD2 ARG 26 1HD ARG 26 10.328 -0.789 10.672 174 HD3 ARG 26 2HD ARG 26 9.403 -0.416 12.126 175 HE ARG 26 HE ARG 26 8.059 -2.504 11.046 176 HH11 ARG 26 1HH1 ARG 26 11.395 -1.967 11.884 177 HH12 ARG 26 2HH1 ARG 26 11.710 -3.633 12.238 178 HH21 ARG 26 1HH2 ARG 26 8.461 -4.701 11.510 179 HH22 ARG 26 2HH2 ARG 26 10.041 -5.188 12.025 180 H GLU 27 H GLU 27 9.065 2.030 7.046 181 HA GLU 27 HA GLU 27 8.067 4.294 8.291 182 HB2 GLU 27 1HB GLU 27 10.127 4.630 7.298 183 HB3 GLU 27 2HB GLU 27 9.657 3.828 5.806 184 HG2 GLU 27 1HG GLU 27 8.707 5.701 4.928 185 HG3 GLU 27 2HG GLU 27 8.288 6.364 6.507 186 H ILE 28 H ILE 28 7.376 3.192 4.971 187 HA ILE 28 HA ILE 28 5.664 5.035 4.043 188 HB ILE 28 HB ILE 28 5.339 2.042 3.887 189 HG12 ILE 28 1HG1 ILE 28 6.405 4.112 1.954 190 HG13 ILE 28 2HG1 ILE 28 7.357 2.925 2.840 191 HG21 ILE 28 1HG2 ILE 28 3.162 3.000 3.521 192 HG22 ILE 28 2HG2 ILE 28 3.829 4.186 2.401 193 HG23 ILE 28 3HG2 ILE 28 3.824 2.475 1.973 194 HD11 ILE 28 1HD1 ILE 28 6.045 1.151 1.627 195 HD12 ILE 28 2HD1 ILE 28 5.415 2.444 0.605 196 HD13 ILE 28 3HD1 ILE 28 7.147 2.114 0.643 197 H ARG 29 H ARG 29 5.049 2.894 6.712 198 HA ARG 29 HA ARG 29 2.238 3.668 6.839 199 HB2 ARG 29 1HB ARG 29 3.888 1.720 8.452 200 HB3 ARG 29 2HB ARG 29 2.205 2.088 8.805 201 HG2 ARG 29 1HG ARG 29 1.462 1.125 6.792 202 HG3 ARG 29 2HG ARG 29 3.095 1.077 6.124 203 HD2 ARG 29 1HD ARG 29 2.194 -1.128 6.924 204 HD3 ARG 29 2HD ARG 29 3.745 -0.653 7.613 205 HE ARG 29 HE ARG 29 1.835 0.256 9.374 206 HH11 ARG 29 1HH1 ARG 29 2.798 -2.818 8.052 207 HH12 ARG 29 2HH1 ARG 29 2.317 -3.718 9.452 208 HH21 ARG 29 1HH2 ARG 29 1.198 -0.918 11.223 209 HH22 ARG 29 2HH2 ARG 29 1.406 -2.637 11.255 210 H LYS 30 H LYS 30 5.227 3.966 8.707 211 HA LYS 30 HA LYS 30 4.212 5.249 10.960 212 HB2 LYS 30 1HB LYS 30 6.395 5.660 11.539 213 HB3 LYS 30 2HB LYS 30 6.633 4.398 10.338 214 HG2 LYS 30 1HG LYS 30 7.154 6.058 8.652 215 HG3 LYS 30 2HG LYS 30 6.838 7.355 9.807 216 HD2 LYS 30 1HD LYS 30 8.677 6.551 11.210 217 HD3 LYS 30 2HD LYS 30 8.990 5.253 10.056 218 HE2 LYS 30 1HE LYS 30 9.756 6.736 8.421 219 HE3 LYS 30 2HE LYS 30 9.008 8.128 9.202 220 HZ1 LYS 30 1HZ LYS 30 11.050 6.694 10.713 221 HZ2 LYS 30 2HZ LYS 30 10.716 8.350 10.649 222 HZ3 LYS 30 3HZ LYS 30 11.580 7.613 9.396 223 H VAL 31 H VAL 31 4.610 6.405 7.744 224 HA VAL 31 HA VAL 31 4.427 9.204 8.540 225 HB VAL 31 HB VAL 31 4.524 8.030 5.758 226 HG11 VAL 31 1HG1 VAL 31 5.187 10.838 6.599 227 HG12 VAL 31 2HG1 VAL 31 4.921 10.215 4.970 228 HG13 VAL 31 3HG1 VAL 31 3.568 10.359 6.093 229 HG21 VAL 31 1HG2 VAL 31 6.534 7.475 7.043 230 HG22 VAL 31 2HG2 VAL 31 6.887 8.631 5.759 231 HG23 VAL 31 3HG2 VAL 31 6.757 9.181 7.429 232 H LEU 32 H LEU 32 2.558 6.796 6.726 233 HA LEU 32 HA LEU 32 0.413 8.417 5.988 234 HB2 LEU 32 1HB LEU 32 0.621 5.476 6.554 235 HB3 LEU 32 2HB LEU 32 -0.890 6.220 6.035 236 HG LEU 32 HG LEU 32 1.598 6.542 4.399 237 HD11 LEU 32 1HD1 LEU 32 1.144 4.096 4.952 238 HD12 LEU 32 2HD1 LEU 32 1.242 4.534 3.247 239 HD13 LEU 32 3HD1 LEU 32 -0.331 4.277 4.001 240 HD21 LEU 32 1HD2 LEU 32 -1.218 6.261 3.429 241 HD22 LEU 32 2HD2 LEU 32 0.148 7.082 2.675 242 HD23 LEU 32 3HD2 LEU 32 -0.644 7.797 4.080 243 H GLY 33 H GLY 33 0.302 6.004 8.617 244 HA2 GLY 33 1HA GLY 33 -2.008 6.753 9.844 245 HA3 GLY 33 2HA GLY 33 -0.617 6.143 10.729 246 H ALA 34 H ALA 34 1.006 8.496 9.887 247 HA ALA 34 HA ALA 34 0.418 10.154 12.122 248 HB1 ALA 34 1HB ALA 34 2.566 10.628 11.848 249 HB2 ALA 34 2HB ALA 34 2.572 9.810 10.285 250 HB3 ALA 34 3HB ALA 34 2.168 11.524 10.382 251 H ASN 35 H ASN 35 -0.017 10.505 8.628 252 HA ASN 35 HA ASN 35 -1.179 13.143 8.934 253 HB2 ASN 35 1HB ASN 35 -0.604 11.374 6.564 254 HB3 ASN 35 2HB ASN 35 -1.555 12.848 6.405 255 HD21 ASN 35 1HD2 ASN 35 1.497 11.553 6.307 256 HD22 ASN 35 2HD2 ASN 35 2.416 13.010 6.434 257 H ASN 36 H ASN 36 -2.427 10.623 10.044 258 HA ASN 36 HA ASN 36 -4.522 9.807 10.389 259 HB2 ASN 36 1HB ASN 36 -4.910 12.421 10.248 260 HB3 ASN 36 2HB ASN 36 -5.756 11.990 8.765 261 HD21 ASN 36 1HD2 ASN 36 -7.099 13.164 10.816 262 HD22 ASN 36 2HD2 ASN 36 -8.181 12.029 11.540 263 H CYS 37 H CYS 37 -3.014 8.984 8.066 264 HA CYS 37 HA CYS 37 -5.029 8.586 5.996 265 HB2 CYS 37 1HB CYS 37 -2.073 8.050 6.161 266 HB3 CYS 37 2HB CYS 37 -3.053 7.362 4.871 267 HG CYS 37 HG CYS 37 -3.070 10.721 5.438 268 H ASP 38 H ASP 38 -5.556 6.480 5.195 269 HA ASP 38 HA ASP 38 -5.379 4.407 7.277 270 HB2 ASP 38 1HB ASP 38 -7.507 5.105 5.282 271 HB3 ASP 38 2HB ASP 38 -7.399 3.462 5.908 272 H TYR 39 H TYR 39 -3.974 2.853 6.840 273 HA TYR 39 HA TYR 39 -3.493 2.134 4.025 274 HB2 TYR 39 1HB TYR 39 -1.305 1.277 4.783 275 HB3 TYR 39 2HB TYR 39 -1.500 2.990 5.137 276 HD1 TYR 39 HD1 TYR 39 -1.759 3.765 7.438 277 HD2 TYR 39 HD2 TYR 39 -1.186 -0.359 6.561 278 HE1 TYR 39 HE1 TYR 39 -1.220 3.344 9.801 279 HE2 TYR 39 HE2 TYR 39 -0.646 -0.792 8.921 280 HH TYR 39 HH TYR 39 -1.107 1.604 11.382 281 H GLU 40 H GLU 40 -3.218 -0.090 3.493 282 HA GLU 40 HA GLU 40 -4.168 -2.020 5.483 283 HB2 GLU 40 1HB GLU 40 -6.089 -1.220 4.061 284 HB3 GLU 40 2HB GLU 40 -5.267 -1.918 2.672 285 HG2 GLU 40 1HG GLU 40 -7.061 -3.337 3.667 286 HG3 GLU 40 2HG GLU 40 -5.484 -4.113 3.534 287 H GLN 41 H GLN 41 -3.702 -4.248 4.924 288 HA GLN 41 HA GLN 41 -1.172 -4.460 3.514 289 HB2 GLN 41 1HB GLN 41 -1.879 -5.553 5.805 290 HB3 GLN 41 2HB GLN 41 -2.545 -6.804 4.762 291 HG2 GLN 41 1HG GLN 41 0.301 -5.874 4.553 292 HG3 GLN 41 2HG GLN 41 -0.203 -7.171 5.636 293 HE21 GLN 41 1HE2 GLN 41 1.506 -7.032 3.152 294 HE22 GLN 41 2HE2 GLN 41 0.883 -8.285 2.138 295 H ARG 42 H ARG 42 -1.673 -4.322 1.345 296 HA ARG 42 HA ARG 42 -3.714 -6.009 0.192 297 HB2 ARG 42 1HB ARG 42 -1.839 -3.922 -0.829 298 HB3 ARG 42 2HB ARG 42 -2.536 -5.057 -1.976 299 HG2 ARG 42 1HG ARG 42 -4.061 -3.228 -0.133 300 HG3 ARG 42 2HG ARG 42 -3.847 -3.025 -1.873 301 HD2 ARG 42 1HD ARG 42 -5.899 -4.022 -1.859 302 HD3 ARG 42 2HD ARG 42 -4.877 -5.457 -1.923 303 HE ARG 42 HE ARG 42 -5.534 -4.609 0.747 304 HH11 ARG 42 1HH1 ARG 42 -6.537 -6.510 -1.992 305 HH12 ARG 42 2HH1 ARG 42 -7.534 -7.572 -1.054 306 HH21 ARG 42 1HH2 ARG 42 -6.843 -6.000 1.992 307 HH22 ARG 42 2HH2 ARG 42 -7.708 -7.280 1.212 308 H GLU 43 H GLU 43 -0.343 -5.596 -0.862 309 HA GLU 43 HA GLU 43 -0.184 -8.522 -1.169 310 HB2 GLU 43 1HB GLU 43 1.430 -6.515 -2.735 311 HB3 GLU 43 2HB GLU 43 1.220 -8.229 -3.066 312 HG2 GLU 43 1HG GLU 43 -1.258 -7.672 -3.376 313 HG3 GLU 43 2HG GLU 43 -0.731 -5.992 -3.459 314 H ARG 44 H ARG 44 2.246 -9.212 -1.302 315 HA ARG 44 HA ARG 44 3.386 -9.141 1.152 316 HB2 ARG 44 1HB ARG 44 4.652 -9.384 -1.564 317 HB3 ARG 44 2HB ARG 44 5.622 -9.476 -0.100 318 HG2 ARG 44 1HG ARG 44 4.169 -11.345 0.668 319 HG3 ARG 44 2HG ARG 44 3.373 -11.303 -0.906 320 HD2 ARG 44 1HD ARG 44 6.348 -11.536 -0.741 321 HD3 ARG 44 2HD ARG 44 5.340 -12.959 -0.481 322 HE ARG 44 HE ARG 44 4.418 -11.868 -2.813 323 HH11 ARG 44 1HH1 ARG 44 7.503 -12.990 -1.651 324 HH12 ARG 44 2HH1 ARG 44 8.064 -13.471 -3.218 325 HH21 ARG 44 1HH2 ARG 44 5.146 -12.498 -4.881 326 HH22 ARG 44 2HH2 ARG 44 6.724 -13.190 -5.054 327 H PHE 45 H PHE 45 4.315 -6.973 -1.523 328 HA PHE 45 HA PHE 45 5.322 -5.080 0.499 329 HB2 PHE 45 1HB PHE 45 6.390 -5.689 -2.260 330 HB3 PHE 45 2HB PHE 45 6.878 -4.277 -1.328 331 HD1 PHE 45 HD1 PHE 45 6.890 -7.967 -1.385 332 HD2 PHE 45 HD2 PHE 45 8.476 -4.441 0.396 333 HE1 PHE 45 HE1 PHE 45 8.608 -9.316 -0.252 334 HE2 PHE 45 HE2 PHE 45 10.196 -5.785 1.531 335 HZ PHE 45 HZ PHE 45 10.265 -8.225 1.207 336 H LEU 46 H LEU 46 2.635 -5.219 -0.522 337 HA LEU 46 HA LEU 46 2.492 -2.554 -1.747 338 HB2 LEU 46 1HB LEU 46 2.102 -4.556 -3.343 339 HB3 LEU 46 2HB LEU 46 0.554 -4.704 -2.513 340 HG LEU 46 HG LEU 46 1.297 -2.060 -3.665 341 HD11 LEU 46 1HD1 LEU 46 1.534 -2.852 -5.725 342 HD12 LEU 46 2HD1 LEU 46 -0.150 -3.369 -5.653 343 HD13 LEU 46 3HD1 LEU 46 1.136 -4.490 -5.206 344 HD21 LEU 46 1HD2 LEU 46 -1.371 -3.180 -4.059 345 HD22 LEU 46 2HD2 LEU 46 -0.880 -1.621 -3.396 346 HD23 LEU 46 3HD2 LEU 46 -0.897 -3.052 -2.365 347 H LEU 47 H LEU 47 0.915 -1.241 -0.960 348 HA LEU 47 HA LEU 47 -1.073 -2.389 0.865 349 HB2 LEU 47 1HB LEU 47 0.481 0.106 1.508 350 HB3 LEU 47 2HB LEU 47 -0.664 -0.745 2.543 351 HG LEU 47 HG LEU 47 1.928 -1.986 1.655 352 HD11 LEU 47 1HD1 LEU 47 2.991 -0.472 2.897 353 HD12 LEU 47 2HD1 LEU 47 2.256 -1.267 4.289 354 HD13 LEU 47 3HD1 LEU 47 1.488 0.152 3.577 355 HD21 LEU 47 1HD2 LEU 47 0.015 -2.543 3.919 356 HD22 LEU 47 2HD2 LEU 47 1.559 -3.360 3.671 357 HD23 LEU 47 3HD2 LEU 47 0.268 -3.534 2.482 358 H PHE 48 H PHE 48 -2.857 -0.884 1.346 359 HA PHE 48 HA PHE 48 -3.345 0.922 -0.930 360 HB2 PHE 48 1HB PHE 48 -4.789 -1.192 -0.640 361 HB3 PHE 48 2HB PHE 48 -5.511 -0.352 0.728 362 HD1 PHE 48 HD1 PHE 48 -6.597 1.901 0.309 363 HD2 PHE 48 HD2 PHE 48 -5.510 -0.776 -2.817 364 HE1 PHE 48 HE1 PHE 48 -8.140 3.060 -1.216 365 HE2 PHE 48 HE2 PHE 48 -7.050 0.380 -4.347 366 HZ PHE 48 HZ PHE 48 -8.368 2.301 -3.548 367 H CYS 49 H CYS 49 -3.281 2.995 -0.400 368 HA CYS 49 HA CYS 49 -3.776 3.796 2.366 369 HB2 CYS 49 1HB CYS 49 -2.834 5.585 0.131 370 HB3 CYS 49 2HB CYS 49 -2.647 5.821 1.864 371 HG CYS 49 HG CYS 49 -1.188 3.020 0.825 372 H VAL 50 H VAL 50 -5.219 5.480 2.909 373 HA VAL 50 HA VAL 50 -7.096 6.377 0.864 374 HB VAL 50 HB VAL 50 -7.881 4.733 3.259 375 HG11 VAL 50 1HG1 VAL 50 -9.380 6.902 1.906 376 HG12 VAL 50 2HG1 VAL 50 -10.268 5.430 2.306 377 HG13 VAL 50 3HG1 VAL 50 -9.453 6.343 3.577 378 HG21 VAL 50 1HG2 VAL 50 -9.433 3.971 1.157 379 HG22 VAL 50 2HG2 VAL 50 -7.939 4.434 0.342 380 HG23 VAL 50 3HG2 VAL 50 -7.908 3.208 1.609 381 H HIS 51 H HIS 51 -7.376 8.487 1.104 382 HA HIS 51 HA HIS 51 -7.556 9.631 3.787 383 HB2 HIS 51 1HB HIS 51 -5.167 9.775 2.686 384 HB3 HIS 51 2HB HIS 51 -5.897 11.090 1.769 385 HD1 HIS 51 HD1 HIS 51 -5.203 13.220 2.798 386 HD2 HIS 51 HD2 HIS 51 -6.033 10.328 5.663 387 HE1 HIS 51 HE1 HIS 51 -4.906 14.367 5.016 388 HE2 HIS 51 HE2 HIS 51 -5.330 12.575 6.735 389 H GLY 52 H GLY 52 -8.817 11.478 3.930 390 HA2 GLY 52 1HA GLY 52 -10.162 12.280 1.423 391 HA3 GLY 52 2HA GLY 52 -11.030 12.073 2.937 392 H ASP 53 H ASP 53 -8.072 13.776 1.897 393 HA ASP 53 HA ASP 53 -7.960 15.782 3.699 394 HB2 ASP 53 1HB ASP 53 -6.290 15.664 2.000 395 HB3 ASP 53 2HB ASP 53 -7.476 15.920 0.723 396 H GLY 54 H GLY 54 -10.233 15.537 1.029 397 HA2 GLY 54 1HA GLY 54 -11.434 18.104 1.816 398 HA3 GLY 54 2HA GLY 54 -11.717 17.267 0.297 399 H HIS 55 H HIS 55 -13.777 16.684 0.186 400 HA HIS 55 HA HIS 55 -15.193 15.904 2.620 401 HB2 HIS 55 1HB HIS 55 -16.036 16.774 -0.117 402 HB3 HIS 55 2HB HIS 55 -17.155 15.839 0.870 403 HD1 HIS 55 HD1 HIS 55 -18.065 16.977 3.027 404 HD2 HIS 55 HD2 HIS 55 -15.647 19.411 0.683 405 HE1 HIS 55 HE1 HIS 55 -18.425 19.312 3.889 406 HE2 HIS 55 HE2 HIS 55 -17.018 20.777 2.400 407 H ALA 56 H ALA 56 -16.753 14.048 2.415 408 HA ALA 56 HA ALA 56 -15.425 11.662 1.989 409 HB1 ALA 56 1HB ALA 56 -17.638 10.587 2.084 410 HB2 ALA 56 2HB ALA 56 -17.423 11.799 3.347 411 HB3 ALA 56 3HB ALA 56 -18.396 12.171 1.925 412 H GLU 57 H GLU 57 -17.834 13.193 -0.150 413 HA GLU 57 HA GLU 57 -17.589 11.283 -2.218 414 HB2 GLU 57 1HB GLU 57 -19.011 12.647 -3.468 415 HB3 GLU 57 2HB GLU 57 -19.456 13.016 -1.807 416 HG2 GLU 57 1HG GLU 57 -17.999 15.015 -1.909 417 HG3 GLU 57 2HG GLU 57 -17.702 14.666 -3.611 418 H ASN 58 H ASN 58 -15.405 13.538 -1.140 419 HA ASN 58 HA ASN 58 -14.077 13.665 -3.768 420 HB2 ASN 58 1HB ASN 58 -14.073 15.655 -1.496 421 HB3 ASN 58 2HB ASN 58 -12.922 15.720 -2.828 422 HD21 ASN 58 1HD2 ASN 58 -16.303 15.935 -1.956 423 HD22 ASN 58 2HD2 ASN 58 -16.807 16.808 -3.359 424 H LEU 59 H LEU 59 -13.920 11.597 -1.649 425 HA LEU 59 HA LEU 59 -11.436 11.853 -0.295 426 HB2 LEU 59 1HB LEU 59 -13.386 10.315 0.265 427 HB3 LEU 59 2HB LEU 59 -12.780 9.262 -1.012 428 HG LEU 59 HG LEU 59 -10.941 10.077 1.192 429 HD11 LEU 59 1HD1 LEU 59 -12.791 7.726 1.450 430 HD12 LEU 59 2HD1 LEU 59 -13.151 9.296 2.167 431 HD13 LEU 59 3HD1 LEU 59 -11.708 8.412 2.661 432 HD21 LEU 59 1HD2 LEU 59 -9.651 8.433 0.396 433 HD22 LEU 59 2HD2 LEU 59 -10.676 8.515 -1.037 434 HD23 LEU 59 3HD2 LEU 59 -11.010 7.323 0.220 435 H VAL 60 H VAL 60 -9.478 10.708 -0.694 436 HA VAL 60 HA VAL 60 -9.075 9.985 -3.524 437 HB VAL 60 HB VAL 60 -7.296 11.548 -1.673 438 HG11 VAL 60 1HG1 VAL 60 -5.732 10.033 -2.476 439 HG12 VAL 60 2HG1 VAL 60 -6.528 9.890 -4.045 440 HG13 VAL 60 3HG1 VAL 60 -5.629 11.353 -3.640 441 HG21 VAL 60 1HG2 VAL 60 -7.156 12.775 -4.046 442 HG22 VAL 60 2HG2 VAL 60 -8.744 12.024 -4.210 443 HG23 VAL 60 3HG2 VAL 60 -8.420 13.117 -2.864 444 H GLN 61 H GLN 61 -8.212 8.043 -3.922 445 HA GLN 61 HA GLN 61 -6.987 6.583 -1.676 446 HB2 GLN 61 1HB GLN 61 -8.795 5.482 -3.833 447 HB3 GLN 61 2HB GLN 61 -7.941 4.506 -2.646 448 HG2 GLN 61 1HG GLN 61 -9.183 5.559 -0.849 449 HG3 GLN 61 2HG GLN 61 -10.006 6.601 -2.009 450 HE21 GLN 61 1HE2 GLN 61 -10.899 4.457 -0.080 451 HE22 GLN 61 2HE2 GLN 61 -11.894 3.416 -1.035 452 H TRP 62 H TRP 62 -5.086 5.586 -2.057 453 HA TRP 62 HA TRP 62 -4.198 5.090 -4.776 454 HB2 TRP 62 1HB TRP 62 -2.222 6.419 -4.668 455 HB3 TRP 62 2HB TRP 62 -3.557 7.469 -4.203 456 HD1 TRP 62 HD1 TRP 62 -0.325 6.007 -2.910 457 HE1 TRP 62 HE1 TRP 62 0.170 6.966 -0.573 458 HE3 TRP 62 HE3 TRP 62 -4.796 8.321 -2.017 459 HZ2 TRP 62 HZ2 TRP 62 -1.158 8.500 1.389 460 HZ3 TRP 62 HZ3 TRP 62 -5.102 9.512 0.114 461 HH2 TRP 62 HH2 TRP 62 -3.321 9.598 1.781 462 H GLU 63 H GLU 63 -2.451 3.633 -4.915 463 HA GLU 63 HA GLU 63 -2.106 2.021 -2.500 464 HB2 GLU 63 1HB GLU 63 -1.304 1.394 -5.346 465 HB3 GLU 63 2HB GLU 63 -1.287 0.278 -3.988 466 HG2 GLU 63 1HG GLU 63 -3.726 0.486 -3.807 467 HG3 GLU 63 2HG GLU 63 -3.723 1.559 -5.206 468 H MET 64 H MET 64 0.126 0.940 -2.326 469 HA MET 64 HA MET 64 2.322 2.671 -3.136 470 HB2 MET 64 1HB MET 64 1.584 2.135 -0.261 471 HB3 MET 64 2HB MET 64 3.186 2.671 -0.748 472 HG2 MET 64 1HG MET 64 0.741 4.210 -1.525 473 HG3 MET 64 2HG MET 64 1.492 4.418 0.056 474 HE1 MET 64 1HE MET 64 3.288 5.947 0.550 475 HE2 MET 64 2HE MET 64 4.429 4.716 0.011 476 HE3 MET 64 3HE MET 64 4.615 6.386 -0.526 477 H GLU 65 H GLU 65 3.783 1.353 -3.983 478 HA GLU 65 HA GLU 65 4.317 -1.209 -2.640 479 HB2 GLU 65 1HB GLU 65 3.076 -1.845 -4.554 480 HB3 GLU 65 2HB GLU 65 3.922 -0.696 -5.580 481 HG2 GLU 65 1HG GLU 65 6.012 -2.057 -5.141 482 HG3 GLU 65 2HG GLU 65 4.946 -3.280 -4.452 483 H VAL 66 H VAL 66 6.443 -1.876 -2.586 484 HA VAL 66 HA VAL 66 8.405 0.192 -3.262 485 HB VAL 66 HB VAL 66 8.540 -2.192 -1.422 486 HG11 VAL 66 1HG1 VAL 66 10.694 -0.788 -2.776 487 HG12 VAL 66 2HG1 VAL 66 10.848 -0.733 -1.019 488 HG13 VAL 66 3HG1 VAL 66 10.728 -2.286 -1.846 489 HG21 VAL 66 1HG2 VAL 66 9.262 -0.101 0.070 490 HG22 VAL 66 2HG2 VAL 66 8.253 0.740 -1.107 491 HG23 VAL 66 3HG2 VAL 66 7.577 -0.576 -0.147 492 H CYS 67 H CYS 67 8.956 -0.078 -5.367 493 HA CYS 67 HA CYS 67 9.899 -2.747 -6.182 494 HB2 CYS 67 1HB CYS 67 7.919 -1.477 -7.394 495 HB3 CYS 67 2HB CYS 67 9.243 -0.638 -8.193 496 HG CYS 67 HG CYS 67 7.896 -3.330 -9.159 497 H LYS 68 H LYS 68 11.628 -2.651 -7.912 498 HA LYS 68 HA LYS 68 13.597 -0.594 -7.165 499 HB2 LYS 68 1HB LYS 68 15.326 -2.191 -7.766 500 HB3 LYS 68 2HB LYS 68 14.227 -2.911 -6.597 501 HG2 LYS 68 1HG LYS 68 13.086 -4.095 -8.420 502 HG3 LYS 68 2HG LYS 68 14.233 -3.401 -9.569 503 HD2 LYS 68 1HD LYS 68 15.127 -5.018 -7.197 504 HD3 LYS 68 2HD LYS 68 14.700 -5.768 -8.737 505 HE2 LYS 68 1HE LYS 68 16.936 -5.485 -9.073 506 HE3 LYS 68 2HE LYS 68 16.361 -3.929 -9.671 507 HZ1 LYS 68 1HZ LYS 68 17.454 -2.872 -8.074 508 HZ2 LYS 68 2HZ LYS 68 18.216 -4.334 -7.695 509 HZ3 LYS 68 3HZ LYS 68 16.820 -3.867 -6.861 510 H LEU 69 H LEU 69 14.973 0.265 -8.805 511 HA LEU 69 HA LEU 69 13.653 0.379 -11.417 512 HB2 LEU 69 1HB LEU 69 15.864 2.138 -10.377 513 HB3 LEU 69 2HB LEU 69 14.848 2.418 -11.790 514 HG LEU 69 HG LEU 69 13.716 2.327 -9.007 515 HD11 LEU 69 1HD1 LEU 69 15.533 4.249 -9.998 516 HD12 LEU 69 2HD1 LEU 69 14.596 4.296 -8.505 517 HD13 LEU 69 3HD1 LEU 69 13.934 4.992 -9.984 518 HD21 LEU 69 1HD2 LEU 69 12.078 2.107 -10.734 519 HD22 LEU 69 2HD2 LEU 69 12.776 3.449 -11.642 520 HD23 LEU 69 3HD2 LEU 69 11.978 3.748 -10.097 521 HA PRO 70 HA PRO 70 16.796 -2.060 -13.311 522 HB2 PRO 70 1HB PRO 70 16.433 -1.264 -15.881 523 HB3 PRO 70 2HB PRO 70 15.313 -2.345 -15.043 524 HG2 PRO 70 1HG PRO 70 15.102 0.603 -15.520 525 HG3 PRO 70 2HG PRO 70 13.851 -0.645 -15.662 526 HD2 PRO 70 1HD PRO 70 14.051 0.977 -13.503 527 HD3 PRO 70 2HD PRO 70 13.465 -0.694 -13.390 528 H ARG 71 H ARG 71 16.596 1.370 -14.229 529 HA ARG 71 HA ARG 71 19.254 1.523 -15.220 530 HB2 ARG 71 1HB ARG 71 17.237 3.594 -14.378 531 HB3 ARG 71 2HB ARG 71 18.853 4.038 -14.910 532 HG2 ARG 71 1HG ARG 71 16.749 2.596 -16.505 533 HG3 ARG 71 2HG ARG 71 17.347 4.237 -16.756 534 HD2 ARG 71 1HD ARG 71 19.657 3.070 -17.005 535 HD3 ARG 71 2HD ARG 71 18.694 1.624 -17.301 536 HE ARG 71 HE ARG 71 18.242 2.429 -19.383 537 HH11 ARG 71 1HH1 ARG 71 19.179 5.093 -17.347 538 HH12 ARG 71 2HH1 ARG 71 19.152 6.254 -18.633 539 HH21 ARG 71 1HH2 ARG 71 18.205 3.948 -21.084 540 HH22 ARG 71 2HH2 ARG 71 18.597 5.602 -20.758 541 H LEU 72 H LEU 72 17.759 2.430 -12.131 542 HA LEU 72 HA LEU 72 20.381 3.052 -11.013 543 HB2 LEU 72 1HB LEU 72 17.564 3.402 -10.039 544 HB3 LEU 72 2HB LEU 72 18.945 3.600 -8.962 545 HG LEU 72 HG LEU 72 19.783 5.385 -10.507 546 HD11 LEU 72 1HD1 LEU 72 18.840 5.249 -12.554 547 HD12 LEU 72 2HD1 LEU 72 17.651 6.328 -11.825 548 HD13 LEU 72 3HD1 LEU 72 17.322 4.599 -11.935 549 HD21 LEU 72 1HD2 LEU 72 17.034 5.989 -9.448 550 HD22 LEU 72 2HD2 LEU 72 18.420 7.072 -9.575 551 HD23 LEU 72 3HD2 LEU 72 18.432 5.757 -8.398 552 H SER 73 H SER 73 20.409 2.331 -8.512 553 HA SER 73 HA SER 73 19.903 -0.574 -8.493 554 HB2 SER 73 1HB SER 73 22.276 0.976 -7.451 555 HB3 SER 73 2HB SER 73 21.938 -0.684 -6.963 556 HG SER 73 HG SER 73 22.360 -1.381 -8.969 557 H LEU 74 H LEU 74 18.364 1.802 -7.446 558 HA LEU 74 HA LEU 74 18.223 0.940 -4.632 559 HB2 LEU 74 1HB LEU 74 17.213 3.607 -5.490 560 HB3 LEU 74 2HB LEU 74 17.820 3.088 -3.919 561 HG LEU 74 HG LEU 74 20.097 2.931 -5.290 562 HD11 LEU 74 1HD1 LEU 74 19.506 5.387 -6.583 563 HD12 LEU 74 2HD1 LEU 74 18.337 4.184 -7.125 564 HD13 LEU 74 3HD1 LEU 74 20.065 3.872 -7.293 565 HD21 LEU 74 1HD2 LEU 74 20.740 4.714 -4.057 566 HD22 LEU 74 2HD2 LEU 74 19.158 4.479 -3.313 567 HD23 LEU 74 3HD2 LEU 74 19.370 5.702 -4.567 568 H ASN 75 H ASN 75 15.993 1.490 -3.668 569 HA ASN 75 HA ASN 75 13.955 0.551 -5.569 570 HB2 ASN 75 1HB ASN 75 13.944 0.382 -2.547 571 HB3 ASN 75 2HB ASN 75 12.744 -0.315 -3.632 572 HD21 ASN 75 1HD2 ASN 75 14.889 -1.320 -1.649 573 HD22 ASN 75 2HD2 ASN 75 15.629 -2.622 -2.510 574 H GLY 76 H GLY 76 12.058 1.643 -5.842 575 HA2 GLY 76 1HA GLY 76 11.794 4.185 -4.355 576 HA3 GLY 76 2HA GLY 76 11.417 4.034 -6.065 577 H VAL 77 H VAL 77 9.592 5.052 -4.237 578 HA VAL 77 HA VAL 77 7.733 2.951 -3.523 579 HB VAL 77 HB VAL 77 7.179 5.908 -3.407 580 HG11 VAL 77 1HG1 VAL 77 5.965 4.913 -1.274 581 HG12 VAL 77 2HG1 VAL 77 5.207 4.896 -2.867 582 HG13 VAL 77 3HG1 VAL 77 5.993 3.443 -2.248 583 HG21 VAL 77 1HG2 VAL 77 8.272 6.130 -1.373 584 HG22 VAL 77 2HG2 VAL 77 8.335 4.389 -1.100 585 HG23 VAL 77 3HG2 VAL 77 9.390 5.131 -2.303 586 H ARG 78 H ARG 78 5.676 2.654 -4.390 587 HA ARG 78 HA ARG 78 5.357 3.694 -7.118 588 HB2 ARG 78 1HB ARG 78 5.384 1.149 -6.458 589 HB3 ARG 78 2HB ARG 78 3.709 1.453 -6.015 590 HG2 ARG 78 1HG ARG 78 4.965 1.800 -8.726 591 HG3 ARG 78 2HG ARG 78 3.766 0.598 -8.243 592 HD2 ARG 78 1HD ARG 78 2.382 2.114 -9.229 593 HD3 ARG 78 2HD ARG 78 2.398 2.772 -7.593 594 HE ARG 78 HE ARG 78 4.423 4.098 -8.719 595 HH11 ARG 78 1HH1 ARG 78 1.189 3.467 -9.841 596 HH12 ARG 78 2HH1 ARG 78 1.084 4.929 -10.765 597 HH21 ARG 78 1HH2 ARG 78 4.298 6.026 -9.930 598 HH22 ARG 78 2HH2 ARG 78 2.853 6.384 -10.815 599 H PHE 79 H PHE 79 4.117 5.451 -7.191 600 HA PHE 79 HA PHE 79 1.859 5.697 -5.341 601 HB2 PHE 79 1HB PHE 79 3.179 7.737 -7.143 602 HB3 PHE 79 2HB PHE 79 1.803 8.070 -6.096 603 HD1 PHE 79 HD2 PHE 79 5.382 7.241 -6.179 604 HD2 PHE 79 HD1 PHE 79 2.075 8.374 -3.750 605 HE1 PHE 79 HE2 PHE 79 6.920 7.746 -4.326 606 HE2 PHE 79 HE1 PHE 79 3.608 8.883 -1.894 607 HZ PHE 79 HZ PHE 79 6.034 8.567 -2.180 608 H LYS 80 H LYS 80 0.155 4.620 -6.163 609 HA LYS 80 HA LYS 80 -0.621 5.208 -8.944 610 HB2 LYS 80 1HB LYS 80 -0.081 2.817 -8.429 611 HB3 LYS 80 2HB LYS 80 -1.423 2.807 -7.293 612 HG2 LYS 80 1HG LYS 80 -3.003 3.163 -9.049 613 HG3 LYS 80 2HG LYS 80 -1.711 3.423 -10.224 614 HD2 LYS 80 1HD LYS 80 -0.946 1.076 -9.746 615 HD3 LYS 80 2HD LYS 80 -2.424 0.861 -8.805 616 HE2 LYS 80 1HE LYS 80 -2.984 0.015 -10.899 617 HE3 LYS 80 2HE LYS 80 -3.640 1.651 -10.929 618 HZ1 LYS 80 1HZ LYS 80 -2.514 1.238 -12.976 619 HZ2 LYS 80 2HZ LYS 80 -1.114 0.722 -12.180 620 HZ3 LYS 80 3HZ LYS 80 -1.587 2.344 -12.093 621 H ARG 81 H ARG 81 -2.446 6.303 -9.258 622 HA ARG 81 HA ARG 81 -4.086 7.001 -6.973 623 HB2 ARG 81 1HB ARG 81 -3.512 8.786 -8.482 624 HB3 ARG 81 2HB ARG 81 -4.129 7.886 -9.860 625 HG2 ARG 81 1HG ARG 81 -6.386 7.968 -8.603 626 HG3 ARG 81 2HG ARG 81 -5.635 9.278 -7.689 627 HD2 ARG 81 1HD ARG 81 -6.685 10.409 -9.414 628 HD3 ARG 81 2HD ARG 81 -5.039 10.233 -10.020 629 HE ARG 81 HE ARG 81 -6.353 8.041 -10.974 630 HH11 ARG 81 1HH1 ARG 81 -6.855 11.481 -11.153 631 HH12 ARG 81 2HH1 ARG 81 -7.625 11.420 -12.704 632 HH21 ARG 81 1HH2 ARG 81 -7.364 7.947 -13.016 633 HH22 ARG 81 2HH2 ARG 81 -7.915 9.408 -13.763 634 H ILE 82 H ILE 82 -6.255 6.535 -6.719 635 HA ILE 82 HA ILE 82 -7.316 4.436 -8.497 636 HB ILE 82 HB ILE 82 -7.973 4.820 -5.575 637 HG12 ILE 82 1HG1 ILE 82 -5.626 4.090 -5.950 638 HG13 ILE 82 2HG1 ILE 82 -6.600 2.868 -5.138 639 HG21 ILE 82 1HG2 ILE 82 -8.499 2.258 -6.913 640 HG22 ILE 82 2HG2 ILE 82 -9.482 3.163 -5.763 641 HG23 ILE 82 3HG2 ILE 82 -9.484 3.611 -7.469 642 HD11 ILE 82 1HD1 ILE 82 -4.985 2.391 -7.245 643 HD12 ILE 82 2HD1 ILE 82 -6.386 1.407 -6.820 644 HD13 ILE 82 3HD1 ILE 82 -6.526 2.651 -8.061 645 H SER 83 H SER 83 -8.334 7.017 -6.260 646 HA SER 83 HA SER 83 -10.536 7.629 -8.112 647 HB2 SER 83 1HB SER 83 -11.368 6.362 -6.118 648 HB3 SER 83 2HB SER 83 -10.781 7.673 -5.095 649 HG SER 83 HG SER 83 -12.940 7.618 -6.870 650 H GLY 84 H GLY 84 -11.493 9.839 -7.632 651 HA2 GLY 84 1HA GLY 84 -11.254 12.090 -7.053 652 HA3 GLY 84 2HA GLY 84 -9.677 11.723 -6.369 653 H THR 85 H THR 85 -10.136 13.974 -7.939 654 HA THR 85 HA THR 85 -9.241 13.432 -10.633 655 HB THR 85 HB THR 85 -10.813 15.335 -9.943 656 HG1 THR 85 HG1 THR 85 -10.142 16.446 -11.709 657 HG21 THR 85 1HG2 THR 85 -8.182 16.644 -9.242 658 HG22 THR 85 2HG2 THR 85 -9.420 16.166 -8.080 659 HG23 THR 85 3HG2 THR 85 -9.765 17.420 -9.270 660 H SER 86 H SER 86 -7.318 14.472 -11.542 661 HA SER 86 HA SER 86 -4.963 13.712 -10.434 662 HB2 SER 86 1HB SER 86 -3.871 15.490 -11.842 663 HB3 SER 86 2HB SER 86 -5.029 14.483 -12.712 664 HG SER 86 HG SER 86 -6.537 16.329 -11.986 665 H ILE 87 H ILE 87 -6.365 16.973 -10.136 666 HA ILE 87 HA ILE 87 -4.432 18.136 -8.543 667 HB ILE 87 HB ILE 87 -7.403 18.575 -8.672 668 HG12 ILE 87 1HG1 ILE 87 -6.497 20.818 -9.576 669 HG13 ILE 87 2HG1 ILE 87 -4.951 19.986 -9.701 670 HG21 ILE 87 1HG2 ILE 87 -5.411 20.109 -7.007 671 HG22 ILE 87 2HG2 ILE 87 -7.076 20.602 -7.314 672 HG23 ILE 87 3HG2 ILE 87 -6.747 19.126 -6.407 673 HD11 ILE 87 1HD1 ILE 87 -6.337 20.061 -11.791 674 HD12 ILE 87 2HD1 ILE 87 -5.803 18.457 -11.286 675 HD13 ILE 87 3HD1 ILE 87 -7.464 18.968 -10.989 676 H ALA 88 H ALA 88 -7.371 16.437 -7.456 677 HA ALA 88 HA ALA 88 -6.879 16.622 -4.709 678 HB1 ALA 88 1HB ALA 88 -9.048 15.991 -5.627 679 HB2 ALA 88 2HB ALA 88 -8.370 14.465 -6.197 680 HB3 ALA 88 3HB ALA 88 -8.477 14.790 -4.467 681 H PHE 89 H PHE 89 -5.964 14.122 -7.050 682 HA PHE 89 HA PHE 89 -4.838 12.310 -5.231 683 HB2 PHE 89 1HB PHE 89 -5.277 11.533 -7.432 684 HB3 PHE 89 2HB PHE 89 -4.324 12.824 -8.157 685 HD1 PHE 89 HD1 PHE 89 -3.593 10.383 -5.435 686 HD2 PHE 89 HD2 PHE 89 -2.537 11.906 -9.267 687 HE1 PHE 89 HE1 PHE 89 -1.628 8.902 -5.478 688 HE2 PHE 89 HE2 PHE 89 -0.571 10.426 -9.317 689 HZ PHE 89 HZ PHE 89 -0.115 8.921 -7.421 690 H LYS 90 H LYS 90 -3.086 14.528 -7.409 691 HA LYS 90 HA LYS 90 -0.573 14.217 -6.277 692 HB2 LYS 90 1HB LYS 90 -1.882 16.367 -7.883 693 HB3 LYS 90 2HB LYS 90 -0.320 16.706 -7.150 694 HG2 LYS 90 1HG LYS 90 0.583 14.685 -8.280 695 HG3 LYS 90 2HG LYS 90 -0.967 14.514 -9.108 696 HD2 LYS 90 1HD LYS 90 0.631 17.056 -9.238 697 HD3 LYS 90 2HD LYS 90 0.915 15.718 -10.355 698 HE2 LYS 90 1HE LYS 90 -1.387 15.830 -11.113 699 HE3 LYS 90 2HE LYS 90 -1.736 17.098 -9.939 700 HZ1 LYS 90 1HZ LYS 90 0.209 18.291 -11.169 701 HZ2 LYS 90 2HZ LYS 90 -1.354 18.321 -11.814 702 HZ3 LYS 90 3HZ LYS 90 -0.202 17.249 -12.436 703 H ASN 91 H ASN 91 -3.256 16.229 -5.272 704 HA ASN 91 HA ASN 91 -1.962 17.981 -3.545 705 HB2 ASN 91 1HB ASN 91 -4.721 16.884 -3.751 706 HB3 ASN 91 2HB ASN 91 -4.280 17.685 -2.245 707 HD21 ASN 91 1HD2 ASN 91 -5.641 19.410 -2.558 708 HD22 ASN 91 2HD2 ASN 91 -5.364 20.617 -3.763 709 H ILE 92 H ILE 92 -3.200 14.717 -2.935 710 HA ILE 92 HA ILE 92 -2.266 14.753 -0.196 711 HB ILE 92 HB ILE 92 -4.313 13.554 -0.662 712 HG12 ILE 92 1HG1 ILE 92 -3.768 11.393 0.361 713 HG13 ILE 92 2HG1 ILE 92 -2.070 11.618 -0.044 714 HG21 ILE 92 1HG2 ILE 92 -2.623 11.978 -2.588 715 HG22 ILE 92 2HG2 ILE 92 -4.202 11.436 -2.021 716 HG23 ILE 92 3HG2 ILE 92 -4.062 12.937 -2.937 717 HD11 ILE 92 1HD1 ILE 92 -1.813 13.333 1.528 718 HD12 ILE 92 2HD1 ILE 92 -3.555 13.541 1.709 719 HD13 ILE 92 3HD1 ILE 92 -2.769 12.095 2.342 720 H ALA 93 H ALA 93 -1.281 13.399 -3.283 721 HA ALA 93 HA ALA 93 0.676 11.612 -2.381 722 HB1 ALA 93 1HB ALA 93 0.632 11.191 -4.560 723 HB2 ALA 93 2HB ALA 93 -0.155 12.733 -4.895 724 HB3 ALA 93 3HB ALA 93 1.604 12.641 -4.808 725 H SER 94 H SER 94 0.870 15.061 -3.156 726 HA SER 94 HA SER 94 3.632 15.384 -2.944 727 HB2 SER 94 1HB SER 94 1.738 17.056 -3.666 728 HB3 SER 94 2HB SER 94 1.778 17.528 -1.967 729 HG SER 94 HG SER 94 4.214 17.332 -3.306 730 H LYS 95 H LYS 95 1.297 14.742 -0.530 731 HA LYS 95 HA LYS 95 2.794 15.837 1.672 732 HB2 LYS 95 1HB LYS 95 0.548 13.826 1.813 733 HB3 LYS 95 2HB LYS 95 1.087 14.923 3.078 734 HG2 LYS 95 1HG LYS 95 0.113 16.077 0.517 735 HG3 LYS 95 2HG LYS 95 -1.063 15.422 1.658 736 HD2 LYS 95 1HD LYS 95 -0.374 16.924 3.363 737 HD3 LYS 95 2HD LYS 95 1.052 17.416 2.446 738 HE2 LYS 95 1HE LYS 95 -1.781 17.886 1.534 739 HE3 LYS 95 2HE LYS 95 -0.832 19.067 2.435 740 HZ1 LYS 95 1HZ LYS 95 0.859 18.841 0.597 741 HZ2 LYS 95 2HZ LYS 95 -0.582 19.623 0.186 742 HZ3 LYS 95 3HZ LYS 95 -0.327 18.019 -0.287 743 H ILE 96 H ILE 96 2.217 12.617 0.315 744 HA ILE 96 HA ILE 96 3.857 11.306 2.280 745 HB ILE 96 HB ILE 96 2.989 10.138 -0.357 746 HG12 ILE 96 1HG1 ILE 96 0.914 10.790 0.423 747 HG13 ILE 96 2HG1 ILE 96 1.075 9.221 1.205 748 HG21 ILE 96 1HG2 ILE 96 4.162 9.126 2.140 749 HG22 ILE 96 2HG2 ILE 96 2.835 8.166 1.490 750 HG23 ILE 96 3HG2 ILE 96 4.257 8.488 0.499 751 HD11 ILE 96 1HD1 ILE 96 0.343 10.527 2.936 752 HD12 ILE 96 2HD1 ILE 96 2.091 10.625 3.153 753 HD13 ILE 96 3HD1 ILE 96 1.223 11.950 2.379 754 H ALA 97 H ALA 97 4.167 11.480 -1.272 755 HA ALA 97 HA ALA 97 6.681 10.572 -1.633 756 HB1 ALA 97 1HB ALA 97 5.179 11.368 -3.431 757 HB2 ALA 97 2HB ALA 97 5.607 13.028 -3.013 758 HB3 ALA 97 3HB ALA 97 6.842 11.924 -3.620 759 H ASN 98 H ASN 98 5.794 13.678 -0.274 760 HA ASN 98 HA ASN 98 8.520 14.644 -0.253 761 HB2 ASN 98 1HB ASN 98 6.472 16.118 -0.530 762 HB3 ASN 98 2HB ASN 98 6.148 15.845 1.179 763 HD21 ASN 98 1HD2 ASN 98 7.196 17.025 2.657 764 HD22 ASN 98 2HD2 ASN 98 8.432 18.178 2.300 765 H GLU 99 H GLU 99 6.132 14.273 2.372 766 HA GLU 99 HA GLU 99 7.722 14.414 4.545 767 HB2 GLU 99 1HB GLU 99 5.376 12.619 3.992 768 HB3 GLU 99 2HB GLU 99 6.190 12.585 5.550 769 HG2 GLU 99 1HG GLU 99 5.151 15.134 4.367 770 HG3 GLU 99 2HG GLU 99 4.129 14.060 5.320 771 H LEU 100 H LEU 100 7.273 11.515 2.551 772 HA LEU 100 HA LEU 100 8.549 9.560 3.851 773 HB2 LEU 100 1HB LEU 100 8.743 10.383 0.981 774 HB3 LEU 100 2HB LEU 100 9.647 8.989 1.571 775 HG LEU 100 HG LEU 100 6.666 9.339 1.393 776 HD11 LEU 100 1HD1 LEU 100 7.882 6.859 0.494 777 HD12 LEU 100 2HD1 LEU 100 8.520 8.273 -0.344 778 HD13 LEU 100 3HD1 LEU 100 6.786 7.955 -0.348 779 HD21 LEU 100 1HD2 LEU 100 6.898 6.866 2.375 780 HD22 LEU 100 2HD2 LEU 100 6.636 8.281 3.396 781 HD23 LEU 100 3HD2 LEU 100 8.261 7.623 3.199 782 H LYS 101 H LYS 101 10.152 10.029 5.278 783 HA LYS 101 HA LYS 101 12.409 11.657 4.585 784 HB2 LYS 101 1HB LYS 101 11.793 9.911 6.969 785 HB3 LYS 101 2HB LYS 101 13.288 10.824 6.814 786 HG2 LYS 101 1HG LYS 101 11.747 12.863 6.481 787 HG3 LYS 101 2HG LYS 101 10.495 11.830 7.173 788 HD2 LYS 101 1HD LYS 101 13.121 12.078 8.569 789 HD3 LYS 101 2HD LYS 101 11.943 13.385 8.709 790 HE2 LYS 101 1HE LYS 101 10.308 11.387 9.246 791 HE3 LYS 101 2HE LYS 101 11.808 10.580 9.701 792 HZ1 LYS 101 1HZ LYS 101 10.902 13.196 10.775 793 HZ2 LYS 101 2HZ LYS 101 12.274 12.334 11.259 794 HZ3 LYS 101 3HZ LYS 101 10.732 11.714 11.573 795 H LEU 102 H LEU 102 12.295 9.761 2.665 796 HA LEU 102 HA LEU 102 14.211 7.668 3.362 797 HB2 LEU 102 1HB LEU 102 12.940 8.076 0.675 798 HB3 LEU 102 2HB LEU 102 13.618 6.599 1.356 799 HG LEU 102 HG LEU 102 11.209 7.837 2.619 800 HD11 LEU 102 1HD1 LEU 102 11.179 6.067 0.179 801 HD12 LEU 102 2HD1 LEU 102 10.665 7.752 0.251 802 HD13 LEU 102 3HD1 LEU 102 9.772 6.519 1.141 803 HD21 LEU 102 1HD2 LEU 102 10.826 5.213 2.730 804 HD22 LEU 102 2HD2 LEU 102 11.827 6.065 3.906 805 HD23 LEU 102 3HD2 LEU 102 12.581 5.208 2.562 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 6.756 18.482 -29.689 2 HA2 GLY 1 1HA GLY 1 4.425 17.362 -29.554 3 HA3 GLY 1 2HA GLY 1 5.161 16.503 -28.209 4 H SER 2 H SER 2 3.252 19.064 -29.001 5 HA SER 2 HA SER 2 4.014 20.563 -26.581 6 HB2 SER 2 1HB SER 2 2.826 22.496 -27.635 7 HB3 SER 2 2HB SER 2 4.234 21.953 -28.548 8 HG SER 2 HG SER 2 1.753 20.839 -29.179 9 H SER 3 H SER 3 1.748 18.476 -27.854 10 HA SER 3 HA SER 3 -0.213 19.270 -25.811 11 HB2 SER 3 1HB SER 3 -0.725 18.563 -28.695 12 HB3 SER 3 2HB SER 3 -1.979 18.395 -27.467 13 HG SER 3 HG SER 3 -1.436 20.685 -26.968 14 H GLY 4 H GLY 4 -0.853 17.666 -24.507 15 HA2 GLY 4 1HA GLY 4 -0.029 14.927 -25.234 16 HA3 GLY 4 2HA GLY 4 -0.145 15.529 -23.587 17 H SER 5 H SER 5 -2.015 14.612 -26.432 18 HA SER 5 HA SER 5 -4.561 14.815 -25.205 19 HB2 SER 5 1HB SER 5 -3.584 13.292 -27.624 20 HB3 SER 5 2HB SER 5 -5.274 13.302 -27.120 21 HG SER 5 HG SER 5 -3.763 15.290 -28.305 22 H SER 6 H SER 6 -2.782 11.868 -26.149 23 HA SER 6 HA SER 6 -3.295 10.607 -23.622 24 HB2 SER 6 1HB SER 6 -5.439 10.432 -25.173 25 HB3 SER 6 2HB SER 6 -4.516 9.122 -25.910 26 HG SER 6 HG SER 6 -5.115 9.355 -23.144 27 H GLY 7 H GLY 7 -1.609 9.343 -23.209 28 HA2 GLY 7 1HA GLY 7 -0.243 8.044 -25.481 29 HA3 GLY 7 2HA GLY 7 0.669 8.896 -24.243 30 H ARG 8 H ARG 8 1.572 6.530 -24.429 31 HA ARG 8 HA ARG 8 0.099 4.506 -23.046 32 HB2 ARG 8 1HB ARG 8 2.989 4.725 -23.886 33 HB3 ARG 8 2HB ARG 8 2.342 3.321 -23.048 34 HG2 ARG 8 1HG ARG 8 0.875 2.821 -24.856 35 HG3 ARG 8 2HG ARG 8 1.254 4.348 -25.656 36 HD2 ARG 8 1HD ARG 8 3.316 3.625 -26.360 37 HD3 ARG 8 2HD ARG 8 3.474 2.461 -25.045 38 HE ARG 8 HE ARG 8 1.399 1.846 -26.953 39 HH11 ARG 8 1HH1 ARG 8 4.750 1.458 -26.095 40 HH12 ARG 8 2HH1 ARG 8 4.955 0.009 -27.022 41 HH21 ARG 8 1HH2 ARG 8 1.656 -0.061 -28.177 42 HH22 ARG 8 2HH2 ARG 8 3.194 -0.854 -28.207 43 H PHE 9 H PHE 9 0.456 3.676 -20.978 44 HA PHE 9 HA PHE 9 1.499 5.632 -19.082 45 HB2 PHE 9 1HB PHE 9 -0.100 3.100 -18.658 46 HB3 PHE 9 2HB PHE 9 0.406 4.191 -17.372 47 HD1 PHE 9 HD2 PHE 9 -1.793 3.787 -20.282 48 HD2 PHE 9 HD1 PHE 9 -0.702 6.277 -17.007 49 HE1 PHE 9 HE2 PHE 9 -3.831 5.123 -20.623 50 HE2 PHE 9 HE1 PHE 9 -2.739 7.616 -17.342 51 HZ PHE 9 HZ PHE 9 -4.305 7.041 -19.153 52 H THR 10 H THR 10 3.263 5.336 -17.837 53 HA THR 10 HA THR 10 4.622 2.727 -17.963 54 HB THR 10 HB THR 10 6.803 4.031 -17.922 55 HG1 THR 10 HG1 THR 10 6.747 6.152 -18.224 56 HG21 THR 10 1HG2 THR 10 4.974 4.033 -20.311 57 HG22 THR 10 2HG2 THR 10 6.276 2.908 -19.926 58 HG23 THR 10 3HG2 THR 10 6.653 4.560 -20.414 59 H TRP 11 H TRP 11 6.522 2.761 -16.284 60 HA TRP 11 HA TRP 11 5.333 3.617 -13.743 61 HB2 TRP 11 1HB TRP 11 7.148 1.393 -14.554 62 HB3 TRP 11 2HB TRP 11 7.294 2.023 -12.915 63 HD1 TRP 11 HD1 TRP 11 4.005 1.480 -14.883 64 HE1 TRP 11 HE1 TRP 11 2.532 -0.145 -13.536 65 HE3 TRP 11 HE3 TRP 11 7.270 0.360 -11.112 66 HZ2 TRP 11 HZ2 TRP 11 2.728 -1.696 -11.186 67 HZ3 TRP 11 HZ3 TRP 11 6.549 -1.203 -9.354 68 HH2 TRP 11 HH2 TRP 11 4.325 -2.209 -9.392 69 H SER 12 H SER 12 6.285 5.776 -14.815 70 HA SER 12 HA SER 12 9.092 6.178 -14.278 71 HB2 SER 12 1HB SER 12 8.730 8.443 -15.062 72 HB3 SER 12 2HB SER 12 7.906 7.327 -16.150 73 HG SER 12 HG SER 12 6.196 8.464 -15.744 74 H MET 13 H MET 13 9.924 7.738 -12.778 75 HA MET 13 HA MET 13 8.327 8.964 -10.789 76 HB2 MET 13 1HB MET 13 8.096 6.605 -10.058 77 HB3 MET 13 2HB MET 13 9.844 6.507 -9.895 78 HG2 MET 13 1HG MET 13 9.522 8.555 -8.312 79 HG3 MET 13 2HG MET 13 7.863 7.967 -8.220 80 HE1 MET 13 1HE MET 13 8.036 6.748 -5.253 81 HE2 MET 13 2HE MET 13 9.700 7.256 -4.966 82 HE3 MET 13 3HE MET 13 8.607 8.292 -5.885 83 H LYS 14 H LYS 14 9.554 10.229 -9.323 84 HA LYS 14 HA LYS 14 12.312 10.666 -10.228 85 HB2 LYS 14 1HB LYS 14 10.421 12.454 -8.690 86 HB3 LYS 14 2HB LYS 14 12.083 12.873 -9.086 87 HG2 LYS 14 1HG LYS 14 10.130 12.134 -11.230 88 HG3 LYS 14 2HG LYS 14 10.195 13.771 -10.575 89 HD2 LYS 14 1HD LYS 14 12.696 13.689 -11.076 90 HD3 LYS 14 2HD LYS 14 12.338 12.254 -12.039 91 HE2 LYS 14 1HE LYS 14 12.302 14.043 -13.562 92 HE3 LYS 14 2HE LYS 14 10.608 13.680 -13.237 93 HZ1 LYS 14 1HZ LYS 14 11.044 15.507 -11.381 94 HZ2 LYS 14 2HZ LYS 14 10.537 15.903 -12.945 95 HZ3 LYS 14 3HZ LYS 14 12.172 16.031 -12.528 96 H THR 15 H THR 15 10.456 10.772 -7.181 97 HA THR 15 HA THR 15 12.617 10.766 -5.436 98 HB THR 15 HB THR 15 9.930 9.465 -4.951 99 HG1 THR 15 HG1 THR 15 9.276 11.491 -4.271 100 HG21 THR 15 1HG2 THR 15 12.214 9.507 -3.354 101 HG22 THR 15 2HG2 THR 15 10.570 9.135 -2.837 102 HG23 THR 15 3HG2 THR 15 11.186 10.782 -2.702 103 H THR 16 H THR 16 14.187 9.334 -5.176 104 HA THR 16 HA THR 16 13.553 6.473 -5.474 105 HB THR 16 HB THR 16 15.900 6.160 -6.319 106 HG1 THR 16 HG1 THR 16 17.158 7.852 -6.447 107 HG21 THR 16 1HG2 THR 16 13.629 7.317 -7.733 108 HG22 THR 16 2HG2 THR 16 14.676 5.973 -8.187 109 HG23 THR 16 3HG2 THR 16 15.167 7.630 -8.537 110 H SER 17 H SER 17 14.627 5.047 -4.098 111 HA SER 17 HA SER 17 16.230 6.273 -1.956 112 HB2 SER 17 1HB SER 17 13.784 5.743 -1.339 113 HB3 SER 17 2HB SER 17 14.268 4.049 -1.417 114 HG SER 17 HG SER 17 16.085 4.977 0.042 115 H SER 18 H SER 18 18.182 5.400 -1.944 116 HA SER 18 HA SER 18 18.595 2.744 -3.075 117 HB2 SER 18 1HB SER 18 20.087 4.525 -3.829 118 HB3 SER 18 2HB SER 18 20.580 4.844 -2.166 119 HG SER 18 HG SER 18 21.628 3.113 -3.861 120 H MET 19 H MET 19 17.465 1.756 -1.217 121 HA MET 19 HA MET 19 19.370 0.807 0.700 122 HB2 MET 19 1HB MET 19 18.343 1.577 2.706 123 HB3 MET 19 2HB MET 19 18.590 2.989 1.688 124 HG2 MET 19 1HG MET 19 16.203 2.755 0.956 125 HG3 MET 19 2HG MET 19 16.018 1.528 2.207 126 HE1 MET 19 1HE MET 19 14.654 3.533 4.894 127 HE2 MET 19 2HE MET 19 13.905 3.331 3.310 128 HE3 MET 19 3HE MET 19 14.835 2.011 4.021 129 H ASP 20 H ASP 20 18.066 -0.589 2.421 130 HA ASP 20 HA ASP 20 16.796 -2.635 0.967 131 HB2 ASP 20 1HB ASP 20 17.229 -2.057 3.865 132 HB3 ASP 20 2HB ASP 20 16.075 -3.311 3.423 133 HA PRO 21 HA PRO 21 12.643 -1.196 0.693 134 HB2 PRO 21 1HB PRO 21 11.407 -3.582 0.303 135 HB3 PRO 21 2HB PRO 21 12.366 -2.782 -0.947 136 HG2 PRO 21 1HG PRO 21 13.138 -5.011 0.895 137 HG3 PRO 21 2HG PRO 21 13.469 -4.826 -0.837 138 HD2 PRO 21 1HD PRO 21 15.316 -4.280 1.066 139 HD3 PRO 21 2HD PRO 21 15.242 -3.399 -0.474 140 H SER 22 H SER 22 13.568 -3.687 2.975 141 HA SER 22 HA SER 22 11.145 -3.891 4.390 142 HB2 SER 22 1HB SER 22 12.568 -4.782 6.244 143 HB3 SER 22 2HB SER 22 12.881 -5.552 4.689 144 HG SER 22 HG SER 22 14.545 -4.088 6.265 145 H ASP 23 H ASP 23 13.674 -1.518 4.431 146 HA ASP 23 HA ASP 23 12.845 -0.335 6.933 147 HB2 ASP 23 1HB ASP 23 14.961 0.202 4.905 148 HB3 ASP 23 2HB ASP 23 14.451 1.542 5.928 149 H MET 24 H MET 24 12.055 -0.026 3.596 150 HA MET 24 HA MET 24 11.000 2.638 3.762 151 HB2 MET 24 1HB MET 24 11.114 0.497 1.701 152 HB3 MET 24 2HB MET 24 9.850 1.709 1.534 153 HG2 MET 24 1HG MET 24 11.376 3.443 1.263 154 HG3 MET 24 2HG MET 24 12.703 2.505 1.944 155 HE1 MET 24 1HE MET 24 10.561 3.527 -0.693 156 HE2 MET 24 2HE MET 24 11.751 3.570 -1.994 157 HE3 MET 24 3HE MET 24 10.566 2.265 -1.925 158 H MET 25 H MET 25 9.500 -0.579 3.388 159 HA MET 25 HA MET 25 6.853 0.124 3.518 160 HB2 MET 25 1HB MET 25 8.378 -2.297 4.356 161 HB3 MET 25 2HB MET 25 6.692 -2.173 4.841 162 HG2 MET 25 1HG MET 25 7.723 -2.034 2.017 163 HG3 MET 25 2HG MET 25 6.954 -3.429 2.771 164 HE1 MET 25 1HE MET 25 4.737 -4.008 2.084 165 HE2 MET 25 2HE MET 25 4.330 -3.333 3.661 166 HE3 MET 25 3HE MET 25 3.337 -2.949 2.254 167 H ARG 26 H ARG 26 9.166 -0.105 6.144 168 HA ARG 26 HA ARG 26 7.356 -0.006 8.295 169 HB2 ARG 26 1HB ARG 26 10.256 0.566 7.932 170 HB3 ARG 26 2HB ARG 26 9.481 1.165 9.392 171 HG2 ARG 26 1HG ARG 26 8.993 -0.975 10.161 172 HG3 ARG 26 2HG ARG 26 9.198 -1.696 8.563 173 HD2 ARG 26 1HD ARG 26 11.105 -2.313 9.817 174 HD3 ARG 26 2HD ARG 26 11.630 -1.041 8.715 175 HE ARG 26 HE ARG 26 12.097 0.277 10.523 176 HH11 ARG 26 1HH1 ARG 26 10.028 -2.335 11.530 177 HH12 ARG 26 2HH1 ARG 26 10.153 -1.958 13.216 178 HH21 ARG 26 1HH2 ARG 26 12.271 0.784 12.740 179 HH22 ARG 26 2HH2 ARG 26 11.429 -0.183 13.903 180 H GLU 27 H GLU 27 9.331 2.638 6.930 181 HA GLU 27 HA GLU 27 8.112 4.701 8.371 182 HB2 GLU 27 1HB GLU 27 9.358 6.157 7.088 183 HB3 GLU 27 2HB GLU 27 10.265 4.666 6.878 184 HG2 GLU 27 1HG GLU 27 9.299 4.299 4.725 185 HG3 GLU 27 2HG GLU 27 8.181 5.645 4.944 186 H ILE 28 H ILE 28 7.374 3.383 5.167 187 HA ILE 28 HA ILE 28 5.437 5.189 4.354 188 HB ILE 28 HB ILE 28 5.555 2.215 3.845 189 HG12 ILE 28 1HG1 ILE 28 6.342 4.463 1.994 190 HG13 ILE 28 2HG1 ILE 28 7.485 3.725 3.111 191 HG21 ILE 28 1HG2 ILE 28 3.789 4.360 2.732 192 HG22 ILE 28 2HG2 ILE 28 4.198 2.939 1.773 193 HG23 ILE 28 3HG2 ILE 28 3.359 2.751 3.313 194 HD11 ILE 28 1HD1 ILE 28 6.625 2.829 0.535 195 HD12 ILE 28 2HD1 ILE 28 7.911 2.203 1.569 196 HD13 ILE 28 3HD1 ILE 28 6.262 1.606 1.753 197 H ARG 29 H ARG 29 5.195 2.506 6.602 198 HA ARG 29 HA ARG 29 2.325 2.661 6.799 199 HB2 ARG 29 1HB ARG 29 4.455 1.112 8.248 200 HB3 ARG 29 2HB ARG 29 2.796 1.129 8.833 201 HG2 ARG 29 1HG ARG 29 2.010 0.173 6.765 202 HG3 ARG 29 2HG ARG 29 3.631 0.265 6.072 203 HD2 ARG 29 1HD ARG 29 3.628 -1.915 6.745 204 HD3 ARG 29 2HD ARG 29 4.240 -1.156 8.214 205 HE ARG 29 HE ARG 29 1.401 -1.345 8.237 206 HH11 ARG 29 1HH1 ARG 29 4.320 -3.182 8.710 207 HH12 ARG 29 2HH1 ARG 29 3.583 -4.325 9.783 208 HH21 ARG 29 1HH2 ARG 29 0.418 -2.844 9.649 209 HH22 ARG 29 2HH2 ARG 29 1.363 -4.132 10.315 210 H LYS 30 H LYS 30 5.077 4.005 8.454 211 HA LYS 30 HA LYS 30 3.619 4.871 10.768 212 HB2 LYS 30 1HB LYS 30 5.969 4.476 11.017 213 HB3 LYS 30 2HB LYS 30 6.352 5.567 9.692 214 HG2 LYS 30 1HG LYS 30 5.368 7.420 11.088 215 HG3 LYS 30 2HG LYS 30 5.330 6.272 12.428 216 HD2 LYS 30 1HD LYS 30 7.823 6.930 10.867 217 HD3 LYS 30 2HD LYS 30 7.353 7.763 12.350 218 HE2 LYS 30 1HE LYS 30 7.549 4.777 12.280 219 HE3 LYS 30 2HE LYS 30 8.998 5.761 12.476 220 HZ1 LYS 30 1HZ LYS 30 6.808 5.294 14.330 221 HZ2 LYS 30 2HZ LYS 30 7.428 6.866 14.300 222 HZ3 LYS 30 3HZ LYS 30 8.450 5.561 14.638 223 H VAL 31 H VAL 31 5.184 6.676 8.114 224 HA VAL 31 HA VAL 31 4.245 9.190 8.643 225 HB VAL 31 HB VAL 31 4.768 7.828 6.015 226 HG11 VAL 31 1HG1 VAL 31 4.627 10.056 4.950 227 HG12 VAL 31 2HG1 VAL 31 3.069 9.477 5.543 228 HG13 VAL 31 3HG1 VAL 31 3.960 10.701 6.449 229 HG21 VAL 31 1HG2 VAL 31 6.626 8.408 7.611 230 HG22 VAL 31 2HG2 VAL 31 6.770 9.107 5.998 231 HG23 VAL 31 3HG2 VAL 31 6.222 10.104 7.346 232 H LEU 32 H LEU 32 2.619 6.747 6.621 233 HA LEU 32 HA LEU 32 0.368 8.165 5.914 234 HB2 LEU 32 1HB LEU 32 0.730 5.246 6.531 235 HB3 LEU 32 2HB LEU 32 -0.786 5.903 5.918 236 HG LEU 32 HG LEU 32 1.809 6.237 4.438 237 HD11 LEU 32 1HD1 LEU 32 1.689 4.194 3.501 238 HD12 LEU 32 2HD1 LEU 32 -0.073 4.157 3.543 239 HD13 LEU 32 3HD1 LEU 32 0.851 3.782 4.997 240 HD21 LEU 32 1HD2 LEU 32 0.408 6.677 2.560 241 HD22 LEU 32 2HD2 LEU 32 -0.168 7.673 3.896 242 HD23 LEU 32 3HD2 LEU 32 -1.037 6.203 3.452 243 H GLY 33 H GLY 33 0.454 5.828 8.616 244 HA2 GLY 33 1HA GLY 33 -1.945 6.336 9.786 245 HA3 GLY 33 2HA GLY 33 -0.502 5.952 10.713 246 H ALA 34 H ALA 34 0.973 8.302 10.123 247 HA ALA 34 HA ALA 34 0.059 10.012 12.145 248 HB1 ALA 34 1HB ALA 34 1.901 10.883 9.938 249 HB2 ALA 34 2HB ALA 34 1.875 11.405 11.623 250 HB3 ALA 34 3HB ALA 34 2.417 9.778 11.212 251 H ASN 35 H ASN 35 -0.317 10.148 8.637 252 HA ASN 35 HA ASN 35 -1.747 12.672 8.789 253 HB2 ASN 35 1HB ASN 35 -1.350 10.925 6.356 254 HB3 ASN 35 2HB ASN 35 -1.754 12.639 6.393 255 HD21 ASN 35 1HD2 ASN 35 0.722 10.333 6.328 256 HD22 ASN 35 2HD2 ASN 35 2.062 11.413 6.479 257 H ASN 36 H ASN 36 -3.000 10.661 10.242 258 HA ASN 36 HA ASN 36 -4.925 9.425 10.448 259 HB2 ASN 36 1HB ASN 36 -5.887 11.840 8.900 260 HB3 ASN 36 2HB ASN 36 -6.944 10.713 9.746 261 HD21 ASN 36 1HD2 ASN 36 -7.249 10.934 11.883 262 HD22 ASN 36 2HD2 ASN 36 -6.485 12.135 12.862 263 H CYS 37 H CYS 37 -3.302 8.857 8.024 264 HA CYS 37 HA CYS 37 -5.269 8.193 5.998 265 HB2 CYS 37 1HB CYS 37 -2.293 8.122 6.188 266 HB3 CYS 37 2HB CYS 37 -3.071 7.051 5.030 267 HG CYS 37 HG CYS 37 -3.006 10.453 5.053 268 H ASP 38 H ASP 38 -5.896 6.137 5.408 269 HA ASP 38 HA ASP 38 -5.394 4.063 7.425 270 HB2 ASP 38 1HB ASP 38 -7.633 4.448 5.436 271 HB3 ASP 38 2HB ASP 38 -7.426 2.969 6.369 272 H TYR 39 H TYR 39 -3.886 2.633 6.910 273 HA TYR 39 HA TYR 39 -3.494 1.943 4.077 274 HB2 TYR 39 1HB TYR 39 -1.255 1.089 4.862 275 HB3 TYR 39 2HB TYR 39 -1.481 2.828 5.012 276 HD1 TYR 39 HD1 TYR 39 -2.247 3.697 7.331 277 HD2 TYR 39 HD2 TYR 39 -0.541 -0.149 6.697 278 HE1 TYR 39 HE1 TYR 39 -1.659 3.571 9.716 279 HE2 TYR 39 HE2 TYR 39 0.051 -0.286 9.081 280 HH TYR 39 HH TYR 39 -1.234 1.633 11.408 281 H GLU 40 H GLU 40 -3.652 -0.131 3.389 282 HA GLU 40 HA GLU 40 -4.186 -2.204 5.408 283 HB2 GLU 40 1HB GLU 40 -5.647 -1.880 2.781 284 HB3 GLU 40 2HB GLU 40 -5.910 -3.157 3.960 285 HG2 GLU 40 1HG GLU 40 -6.619 -1.450 5.596 286 HG3 GLU 40 2HG GLU 40 -6.447 -0.222 4.344 287 H GLN 41 H GLN 41 -3.216 -4.137 5.087 288 HA GLN 41 HA GLN 41 -1.169 -4.286 3.074 289 HB2 GLN 41 1HB GLN 41 -1.044 -5.160 5.487 290 HB3 GLN 41 2HB GLN 41 -1.986 -6.528 4.909 291 HG2 GLN 41 1HG GLN 41 0.125 -7.354 4.693 292 HG3 GLN 41 2HG GLN 41 -0.110 -6.659 3.090 293 HE21 GLN 41 1HE2 GLN 41 2.197 -6.599 2.946 294 HE22 GLN 41 2HE2 GLN 41 3.080 -5.312 3.687 295 H ARG 42 H ARG 42 -1.976 -4.549 1.053 296 HA ARG 42 HA ARG 42 -4.076 -6.481 0.540 297 HB2 ARG 42 1HB ARG 42 -2.678 -4.377 -1.043 298 HB3 ARG 42 2HB ARG 42 -3.434 -5.703 -1.915 299 HG2 ARG 42 1HG ARG 42 -5.020 -4.273 0.153 300 HG3 ARG 42 2HG ARG 42 -4.739 -3.488 -1.402 301 HD2 ARG 42 1HD ARG 42 -5.603 -5.566 -2.503 302 HD3 ARG 42 2HD ARG 42 -6.055 -6.151 -0.903 303 HE ARG 42 HE ARG 42 -7.135 -3.570 -1.411 304 HH11 ARG 42 1HH1 ARG 42 -7.562 -6.953 -2.116 305 HH12 ARG 42 2HH1 ARG 42 -9.266 -6.814 -2.393 306 HH21 ARG 42 1HH2 ARG 42 -9.379 -3.374 -1.773 307 HH22 ARG 42 2HH2 ARG 42 -10.299 -4.778 -2.199 308 H GLU 43 H GLU 43 -0.836 -5.933 -0.858 309 HA GLU 43 HA GLU 43 -0.629 -8.844 -1.257 310 HB2 GLU 43 1HB GLU 43 0.598 -6.563 -2.809 311 HB3 GLU 43 2HB GLU 43 1.060 -8.245 -3.029 312 HG2 GLU 43 1HG GLU 43 -1.134 -8.818 -3.786 313 HG3 GLU 43 2HG GLU 43 -1.742 -7.213 -3.384 314 H ARG 44 H ARG 44 1.961 -9.254 -1.653 315 HA ARG 44 HA ARG 44 3.080 -9.243 0.906 316 HB2 ARG 44 1HB ARG 44 3.723 -10.815 -0.890 317 HB3 ARG 44 2HB ARG 44 4.517 -9.497 -1.741 318 HG2 ARG 44 1HG ARG 44 6.137 -9.260 0.008 319 HG3 ARG 44 2HG ARG 44 5.280 -10.428 1.016 320 HD2 ARG 44 1HD ARG 44 6.427 -11.090 -1.688 321 HD3 ARG 44 2HD ARG 44 7.312 -11.308 -0.179 322 HE ARG 44 HE ARG 44 4.777 -12.589 -0.086 323 HH11 ARG 44 1HH1 ARG 44 8.001 -12.903 -1.361 324 HH12 ARG 44 2HH1 ARG 44 7.948 -14.634 -1.424 325 HH21 ARG 44 1HH2 ARG 44 4.695 -14.867 -0.164 326 HH22 ARG 44 2HH2 ARG 44 6.066 -15.750 -0.744 327 H PHE 45 H PHE 45 3.566 -7.061 -1.829 328 HA PHE 45 HA PHE 45 4.889 -5.184 0.006 329 HB2 PHE 45 1HB PHE 45 5.799 -6.093 -2.704 330 HB3 PHE 45 2HB PHE 45 6.203 -4.475 -2.140 331 HD1 PHE 45 HD2 PHE 45 7.183 -4.432 0.338 332 HD2 PHE 45 HD1 PHE 45 7.312 -7.764 -2.308 333 HE1 PHE 45 HE2 PHE 45 9.097 -5.345 1.586 334 HE2 PHE 45 HE1 PHE 45 9.226 -8.682 -1.064 335 HZ PHE 45 HZ PHE 45 10.122 -7.472 0.885 336 H LEU 46 H LEU 46 2.212 -5.064 -0.463 337 HA LEU 46 HA LEU 46 1.999 -2.568 -1.972 338 HB2 LEU 46 1HB LEU 46 1.296 -4.561 -3.378 339 HB3 LEU 46 2HB LEU 46 -0.052 -4.748 -2.259 340 HG LEU 46 HG LEU 46 -0.723 -2.387 -2.873 341 HD11 LEU 46 1HD1 LEU 46 0.109 -1.558 -5.033 342 HD12 LEU 46 2HD1 LEU 46 1.291 -2.865 -5.064 343 HD13 LEU 46 3HD1 LEU 46 1.375 -1.630 -3.808 344 HD21 LEU 46 1HD2 LEU 46 -2.139 -3.222 -4.415 345 HD22 LEU 46 2HD2 LEU 46 -1.427 -4.761 -3.929 346 HD23 LEU 46 3HD2 LEU 46 -0.845 -3.937 -5.376 347 H LEU 47 H LEU 47 0.462 -1.141 -1.201 348 HA LEU 47 HA LEU 47 -1.142 -1.999 1.102 349 HB2 LEU 47 1HB LEU 47 0.543 0.499 1.006 350 HB3 LEU 47 2HB LEU 47 -0.555 0.046 2.307 351 HG LEU 47 HG LEU 47 1.746 -1.726 1.569 352 HD11 LEU 47 1HD1 LEU 47 1.847 0.644 3.429 353 HD12 LEU 47 2HD1 LEU 47 2.713 0.479 1.902 354 HD13 LEU 47 3HD1 LEU 47 3.102 -0.583 3.255 355 HD21 LEU 47 1HD2 LEU 47 -0.332 -2.012 3.315 356 HD22 LEU 47 2HD2 LEU 47 0.934 -1.361 4.356 357 HD23 LEU 47 3HD2 LEU 47 1.220 -2.841 3.438 358 H PHE 48 H PHE 48 -2.886 -0.476 1.637 359 HA PHE 48 HA PHE 48 -3.798 0.988 -0.753 360 HB2 PHE 48 1HB PHE 48 -5.085 -1.108 -0.098 361 HB3 PHE 48 2HB PHE 48 -5.600 -0.230 1.338 362 HD1 PHE 48 HD2 PHE 48 -5.860 -0.446 -2.310 363 HD2 PHE 48 HD1 PHE 48 -7.214 1.538 1.203 364 HE1 PHE 48 HE2 PHE 48 -7.711 0.549 -3.590 365 HE2 PHE 48 HE1 PHE 48 -9.068 2.536 -0.070 366 HZ PHE 48 HZ PHE 48 -9.318 2.042 -2.470 367 H CYS 49 H CYS 49 -3.119 3.024 -0.221 368 HA CYS 49 HA CYS 49 -3.572 4.129 2.399 369 HB2 CYS 49 1HB CYS 49 -2.744 5.595 -0.110 370 HB3 CYS 49 2HB CYS 49 -2.523 6.122 1.554 371 HG CYS 49 HG CYS 49 -0.998 3.331 0.304 372 H VAL 50 H VAL 50 -5.005 5.770 2.956 373 HA VAL 50 HA VAL 50 -6.974 6.638 0.989 374 HB VAL 50 HB VAL 50 -7.646 5.022 3.433 375 HG11 VAL 50 1HG1 VAL 50 -10.074 5.794 2.536 376 HG12 VAL 50 2HG1 VAL 50 -9.223 6.571 3.873 377 HG13 VAL 50 3HG1 VAL 50 -9.143 7.265 2.253 378 HG21 VAL 50 1HG2 VAL 50 -7.734 4.638 0.577 379 HG22 VAL 50 2HG2 VAL 50 -7.964 3.465 1.874 380 HG23 VAL 50 3HG2 VAL 50 -9.330 4.418 1.293 381 H HIS 51 H HIS 51 -7.435 8.723 1.252 382 HA HIS 51 HA HIS 51 -7.322 9.918 3.914 383 HB2 HIS 51 1HB HIS 51 -5.081 10.151 2.634 384 HB3 HIS 51 2HB HIS 51 -5.947 11.312 1.632 385 HD1 HIS 51 HD1 HIS 51 -5.981 13.650 2.464 386 HD2 HIS 51 HD2 HIS 51 -5.103 10.933 5.482 387 HE1 HIS 51 HE1 HIS 51 -5.433 15.043 4.484 388 HE2 HIS 51 HE2 HIS 51 -4.822 13.379 6.274 389 H GLY 52 H GLY 52 -8.382 11.998 4.045 390 HA2 GLY 52 1HA GLY 52 -10.118 12.622 1.750 391 HA3 GLY 52 2HA GLY 52 -10.830 12.368 3.337 392 H ASP 53 H ASP 53 -8.838 14.477 1.384 393 HA ASP 53 HA ASP 53 -8.808 16.499 3.498 394 HB2 ASP 53 1HB ASP 53 -6.727 15.939 2.176 395 HB3 ASP 53 2HB ASP 53 -7.512 16.663 0.775 396 H GLY 54 H GLY 54 -11.329 16.193 2.790 397 HA2 GLY 54 1HA GLY 54 -12.260 18.664 2.056 398 HA3 GLY 54 2HA GLY 54 -12.117 17.787 0.540 399 H HIS 55 H HIS 55 -13.965 16.932 -0.106 400 HA HIS 55 HA HIS 55 -15.991 16.245 1.899 401 HB2 HIS 55 1HB HIS 55 -16.250 16.575 -1.098 402 HB3 HIS 55 2HB HIS 55 -17.577 16.246 0.013 403 HD1 HIS 55 HD1 HIS 55 -18.826 18.257 0.701 404 HD2 HIS 55 HD2 HIS 55 -14.903 19.161 -0.325 405 HE1 HIS 55 HE1 HIS 55 -18.636 20.756 0.907 406 HE2 HIS 55 HE2 HIS 55 -16.278 21.288 0.199 407 H ALA 56 H ALA 56 -17.205 14.266 1.679 408 HA ALA 56 HA ALA 56 -15.689 11.974 1.549 409 HB1 ALA 56 1HB ALA 56 -17.771 11.828 2.623 410 HB2 ALA 56 2HB ALA 56 -18.641 12.399 1.199 411 HB3 ALA 56 3HB ALA 56 -17.917 10.791 1.203 412 H GLU 57 H GLU 57 -17.788 13.300 -1.005 413 HA GLU 57 HA GLU 57 -17.243 11.307 -2.914 414 HB2 GLU 57 1HB GLU 57 -17.812 14.092 -3.809 415 HB3 GLU 57 2HB GLU 57 -18.482 12.571 -4.383 416 HG2 GLU 57 1HG GLU 57 -20.301 13.383 -3.310 417 HG3 GLU 57 2HG GLU 57 -19.541 12.537 -1.963 418 H ASN 58 H ASN 58 -15.356 13.911 -1.763 419 HA ASN 58 HA ASN 58 -13.591 13.817 -4.106 420 HB2 ASN 58 1HB ASN 58 -13.768 15.769 -1.804 421 HB3 ASN 58 2HB ASN 58 -12.507 15.822 -3.033 422 HD21 ASN 58 1HD2 ASN 58 -15.968 15.145 -3.305 423 HD22 ASN 58 2HD2 ASN 58 -16.313 16.442 -4.394 424 H LEU 59 H LEU 59 -13.695 11.622 -2.262 425 HA LEU 59 HA LEU 59 -11.439 11.785 -0.498 426 HB2 LEU 59 1HB LEU 59 -13.507 10.294 -0.276 427 HB3 LEU 59 2HB LEU 59 -12.730 9.253 -1.467 428 HG LEU 59 HG LEU 59 -10.773 9.104 0.132 429 HD11 LEU 59 1HD1 LEU 59 -12.580 9.794 2.360 430 HD12 LEU 59 2HD1 LEU 59 -11.922 11.146 1.439 431 HD13 LEU 59 3HD1 LEU 59 -10.834 9.989 2.207 432 HD21 LEU 59 1HD2 LEU 59 -11.636 7.199 1.003 433 HD22 LEU 59 2HD2 LEU 59 -12.916 7.537 -0.162 434 HD23 LEU 59 3HD2 LEU 59 -13.125 7.981 1.532 435 H VAL 60 H VAL 60 -9.447 10.717 -0.702 436 HA VAL 60 HA VAL 60 -8.703 10.061 -3.479 437 HB VAL 60 HB VAL 60 -7.018 11.274 -1.287 438 HG11 VAL 60 1HG1 VAL 60 -5.519 11.353 -3.584 439 HG12 VAL 60 2HG1 VAL 60 -5.306 10.210 -2.256 440 HG13 VAL 60 3HG1 VAL 60 -6.268 9.758 -3.664 441 HG21 VAL 60 1HG2 VAL 60 -8.285 12.298 -3.782 442 HG22 VAL 60 2HG2 VAL 60 -8.149 13.054 -2.195 443 HG23 VAL 60 3HG2 VAL 60 -6.747 12.986 -3.261 444 H GLN 61 H GLN 61 -7.866 8.107 -3.884 445 HA GLN 61 HA GLN 61 -6.855 6.503 -1.644 446 HB2 GLN 61 1HB GLN 61 -8.860 5.592 -3.713 447 HB3 GLN 61 2HB GLN 61 -8.019 4.511 -2.610 448 HG2 GLN 61 1HG GLN 61 -9.198 5.231 -0.781 449 HG3 GLN 61 2HG GLN 61 -9.554 6.803 -1.495 450 HE21 GLN 61 1HE2 GLN 61 -11.637 5.803 -0.395 451 HE22 GLN 61 2HE2 GLN 61 -12.724 5.062 -1.515 452 H TRP 62 H TRP 62 -4.897 5.749 -2.070 453 HA TRP 62 HA TRP 62 -4.213 4.944 -4.794 454 HB2 TRP 62 1HB TRP 62 -2.162 6.207 -4.836 455 HB3 TRP 62 2HB TRP 62 -3.486 7.318 -4.498 456 HD1 TRP 62 HD1 TRP 62 -0.161 6.305 -3.227 457 HE1 TRP 62 HE1 TRP 62 0.298 7.394 -0.940 458 HE3 TRP 62 HE3 TRP 62 -4.874 7.978 -2.164 459 HZ2 TRP 62 HZ2 TRP 62 -1.147 8.778 1.051 460 HZ3 TRP 62 HZ3 TRP 62 -5.251 9.175 -0.048 461 HH2 TRP 62 HH2 TRP 62 -3.425 9.566 1.525 462 H GLU 63 H GLU 63 -2.492 3.450 -4.926 463 HA GLU 63 HA GLU 63 -2.014 2.028 -2.410 464 HB2 GLU 63 1HB GLU 63 -1.355 1.046 -5.183 465 HB3 GLU 63 2HB GLU 63 -1.532 0.098 -3.713 466 HG2 GLU 63 1HG GLU 63 -3.916 0.581 -3.671 467 HG3 GLU 63 2HG GLU 63 -3.750 1.563 -5.126 468 H MET 64 H MET 64 0.200 0.844 -2.395 469 HA MET 64 HA MET 64 2.365 2.390 -3.551 470 HB2 MET 64 1HB MET 64 2.024 2.146 -0.557 471 HB3 MET 64 2HB MET 64 3.448 2.788 -1.365 472 HG2 MET 64 1HG MET 64 2.030 4.565 -2.345 473 HG3 MET 64 2HG MET 64 0.677 3.955 -1.396 474 HE1 MET 64 1HE MET 64 4.621 4.815 -0.397 475 HE2 MET 64 2HE MET 64 3.865 5.800 -1.650 476 HE3 MET 64 3HE MET 64 4.186 6.491 -0.059 477 H GLU 65 H GLU 65 3.955 1.063 -4.137 478 HA GLU 65 HA GLU 65 4.428 -1.386 -2.606 479 HB2 GLU 65 1HB GLU 65 3.175 -2.412 -4.235 480 HB3 GLU 65 2HB GLU 65 3.577 -1.211 -5.454 481 HG2 GLU 65 1HG GLU 65 5.828 -2.167 -5.636 482 HG3 GLU 65 2HG GLU 65 5.388 -3.394 -4.449 483 H VAL 66 H VAL 66 6.534 -1.874 -2.376 484 HA VAL 66 HA VAL 66 8.469 -0.121 -3.706 485 HB VAL 66 HB VAL 66 8.927 -1.981 -1.371 486 HG11 VAL 66 1HG1 VAL 66 10.641 -0.218 -2.965 487 HG12 VAL 66 2HG1 VAL 66 10.793 -0.003 -1.220 488 HG13 VAL 66 3HG1 VAL 66 11.062 -1.590 -1.941 489 HG21 VAL 66 1HG2 VAL 66 9.047 0.403 -0.226 490 HG22 VAL 66 2HG2 VAL 66 7.929 0.815 -1.526 491 HG23 VAL 66 3HG2 VAL 66 7.524 -0.470 -0.388 492 H CYS 67 H CYS 67 9.772 -0.845 -5.255 493 HA CYS 67 HA CYS 67 10.808 -3.497 -5.323 494 HB2 CYS 67 1HB CYS 67 8.460 -3.829 -6.174 495 HB3 CYS 67 2HB CYS 67 8.873 -2.795 -7.536 496 HG CYS 67 HG CYS 67 11.211 -4.757 -7.860 497 H LYS 68 H LYS 68 12.464 -3.750 -6.844 498 HA LYS 68 HA LYS 68 13.929 -1.483 -7.496 499 HB2 LYS 68 1HB LYS 68 14.876 -3.758 -7.352 500 HB3 LYS 68 2HB LYS 68 14.039 -4.192 -8.837 501 HG2 LYS 68 1HG LYS 68 15.348 -2.160 -9.826 502 HG3 LYS 68 2HG LYS 68 16.409 -2.432 -8.442 503 HD2 LYS 68 1HD LYS 68 16.932 -4.624 -9.150 504 HD3 LYS 68 2HD LYS 68 15.612 -4.641 -10.323 505 HE2 LYS 68 1HE LYS 68 17.899 -2.699 -10.509 506 HE3 LYS 68 2HE LYS 68 17.978 -4.310 -11.221 507 HZ1 LYS 68 1HZ LYS 68 16.111 -3.806 -12.602 508 HZ2 LYS 68 2HZ LYS 68 17.247 -2.567 -12.787 509 HZ3 LYS 68 3HZ LYS 68 15.869 -2.315 -11.840 510 H LEU 69 H LEU 69 13.525 0.070 -8.913 511 HA LEU 69 HA LEU 69 11.495 0.036 -10.817 512 HB2 LEU 69 1HB LEU 69 13.999 1.709 -10.912 513 HB3 LEU 69 2HB LEU 69 12.456 2.069 -11.685 514 HG LEU 69 HG LEU 69 12.848 1.931 -8.699 515 HD11 LEU 69 1HD1 LEU 69 14.098 3.786 -9.150 516 HD12 LEU 69 2HD1 LEU 69 12.493 4.513 -9.086 517 HD13 LEU 69 3HD1 LEU 69 13.233 4.146 -10.644 518 HD21 LEU 69 1HD2 LEU 69 10.688 2.758 -8.503 519 HD22 LEU 69 2HD2 LEU 69 10.547 1.593 -9.820 520 HD23 LEU 69 3HD2 LEU 69 10.643 3.319 -10.175 521 HA PRO 70 HA PRO 70 13.159 -2.327 -14.145 522 HB2 PRO 70 1HB PRO 70 11.574 -1.388 -16.139 523 HB3 PRO 70 2HB PRO 70 10.994 -2.503 -14.895 524 HG2 PRO 70 1HG PRO 70 10.676 0.468 -15.073 525 HG3 PRO 70 2HG PRO 70 9.482 -0.759 -14.613 526 HD2 PRO 70 1HD PRO 70 10.804 0.741 -12.788 527 HD3 PRO 70 2HD PRO 70 10.297 -0.929 -12.464 528 H ARG 71 H ARG 71 13.124 1.137 -14.117 529 HA ARG 71 HA ARG 71 14.855 1.292 -16.469 530 HB2 ARG 71 1HB ARG 71 12.839 2.877 -15.890 531 HB3 ARG 71 2HB ARG 71 14.025 3.682 -14.872 532 HG2 ARG 71 1HG ARG 71 14.614 3.123 -17.751 533 HG3 ARG 71 2HG ARG 71 13.659 4.529 -17.274 534 HD2 ARG 71 1HD ARG 71 15.429 5.558 -16.254 535 HD3 ARG 71 2HD ARG 71 16.231 4.036 -15.869 536 HE ARG 71 HE ARG 71 16.225 4.370 -18.651 537 HH11 ARG 71 1HH1 ARG 71 17.650 5.771 -15.800 538 HH12 ARG 71 2HH1 ARG 71 19.082 6.302 -16.619 539 HH21 ARG 71 1HH2 ARG 71 18.105 5.065 -19.739 540 HH22 ARG 71 2HH2 ARG 71 19.339 5.901 -18.859 541 H LEU 72 H LEU 72 14.828 2.464 -13.100 542 HA LEU 72 HA LEU 72 17.719 2.846 -13.217 543 HB2 LEU 72 1HB LEU 72 15.582 3.632 -11.268 544 HB3 LEU 72 2HB LEU 72 17.287 3.703 -10.826 545 HG LEU 72 HG LEU 72 17.477 5.164 -12.993 546 HD11 LEU 72 1HD1 LEU 72 14.669 4.728 -12.832 547 HD12 LEU 72 2HD1 LEU 72 15.579 5.667 -14.015 548 HD13 LEU 72 3HD1 LEU 72 14.995 6.437 -12.540 549 HD21 LEU 72 1HD2 LEU 72 17.250 7.128 -11.656 550 HD22 LEU 72 2HD2 LEU 72 17.879 5.845 -10.622 551 HD23 LEU 72 3HD2 LEU 72 16.178 6.303 -10.525 552 H SER 73 H SER 73 19.055 2.069 -11.404 553 HA SER 73 HA SER 73 18.314 -0.680 -10.733 554 HB2 SER 73 1HB SER 73 20.938 0.804 -10.772 555 HB3 SER 73 2HB SER 73 20.776 -0.775 -10.003 556 HG SER 73 HG SER 73 21.385 -1.166 -12.082 557 H LEU 74 H LEU 74 16.971 1.330 -9.312 558 HA LEU 74 HA LEU 74 18.020 0.849 -6.608 559 HB2 LEU 74 1HB LEU 74 16.585 3.388 -7.255 560 HB3 LEU 74 2HB LEU 74 17.679 3.033 -5.920 561 HG LEU 74 HG LEU 74 18.742 3.109 -8.711 562 HD11 LEU 74 1HD1 LEU 74 17.312 5.175 -8.191 563 HD12 LEU 74 2HD1 LEU 74 18.968 5.427 -8.743 564 HD13 LEU 74 3HD1 LEU 74 18.575 5.585 -7.031 565 HD21 LEU 74 1HD2 LEU 74 20.143 4.234 -6.360 566 HD22 LEU 74 2HD2 LEU 74 20.768 3.286 -7.710 567 HD23 LEU 74 3HD2 LEU 74 19.911 2.486 -6.392 568 H ASN 75 H ASN 75 16.158 1.644 -4.990 569 HA ASN 75 HA ASN 75 13.706 0.292 -5.901 570 HB2 ASN 75 1HB ASN 75 14.879 0.537 -3.123 571 HB3 ASN 75 2HB ASN 75 13.303 -0.167 -3.474 572 HD21 ASN 75 1HD2 ASN 75 14.040 -2.115 -2.539 573 HD22 ASN 75 2HD2 ASN 75 15.070 -3.188 -3.419 574 H GLY 76 H GLY 76 12.236 1.774 -6.458 575 HA2 GLY 76 1HA GLY 76 11.984 4.189 -4.783 576 HA3 GLY 76 2HA GLY 76 11.480 4.074 -6.463 577 H VAL 77 H VAL 77 9.721 5.095 -4.697 578 HA VAL 77 HA VAL 77 7.929 2.957 -3.844 579 HB VAL 77 HB VAL 77 7.856 5.943 -3.430 580 HG11 VAL 77 1HG1 VAL 77 5.856 3.913 -2.442 581 HG12 VAL 77 2HG1 VAL 77 5.846 5.649 -2.124 582 HG13 VAL 77 3HG1 VAL 77 5.575 5.050 -3.761 583 HG21 VAL 77 1HG2 VAL 77 8.936 3.710 -1.971 584 HG22 VAL 77 2HG2 VAL 77 9.101 5.437 -1.657 585 HG23 VAL 77 3HG2 VAL 77 7.721 4.551 -1.008 586 H ARG 78 H ARG 78 5.902 2.604 -4.672 587 HA ARG 78 HA ARG 78 5.378 3.831 -7.281 588 HB2 ARG 78 1HB ARG 78 5.434 1.436 -7.355 589 HB3 ARG 78 2HB ARG 78 4.345 1.311 -5.980 590 HG2 ARG 78 1HG ARG 78 2.881 0.893 -7.665 591 HG3 ARG 78 2HG ARG 78 2.731 2.649 -7.581 592 HD2 ARG 78 1HD ARG 78 4.300 2.899 -9.413 593 HD3 ARG 78 2HD ARG 78 4.555 1.155 -9.461 594 HE ARG 78 HE ARG 78 2.583 0.926 -10.610 595 HH11 ARG 78 1HH1 ARG 78 2.771 4.128 -9.259 596 HH12 ARG 78 2HH1 ARG 78 1.382 4.712 -10.114 597 HH21 ARG 78 1HH2 ARG 78 0.753 1.682 -11.742 598 HH22 ARG 78 2HH2 ARG 78 0.235 3.320 -11.526 599 H PHE 79 H PHE 79 3.485 4.877 -7.761 600 HA PHE 79 HA PHE 79 1.556 5.240 -5.571 601 HB2 PHE 79 1HB PHE 79 2.761 7.391 -7.318 602 HB3 PHE 79 2HB PHE 79 1.339 7.639 -6.310 603 HD1 PHE 79 HD2 PHE 79 4.887 6.536 -6.115 604 HD2 PHE 79 HD1 PHE 79 1.592 8.356 -4.129 605 HE1 PHE 79 HE2 PHE 79 6.342 7.078 -4.206 606 HE2 PHE 79 HE1 PHE 79 3.041 8.902 -2.217 607 HZ PHE 79 HZ PHE 79 5.419 8.261 -2.254 608 H LYS 80 H LYS 80 -0.035 3.983 -6.431 609 HA LYS 80 HA LYS 80 -0.879 4.460 -9.191 610 HB2 LYS 80 1HB LYS 80 -0.576 2.129 -7.967 611 HB3 LYS 80 2HB LYS 80 -2.217 2.458 -7.426 612 HG2 LYS 80 1HG LYS 80 -1.503 2.640 -10.325 613 HG3 LYS 80 2HG LYS 80 -1.856 1.082 -9.573 614 HD2 LYS 80 1HD LYS 80 -4.034 1.956 -8.832 615 HD3 LYS 80 2HD LYS 80 -3.679 3.488 -9.634 616 HE2 LYS 80 1HE LYS 80 -3.626 0.889 -11.132 617 HE3 LYS 80 2HE LYS 80 -5.135 1.764 -10.872 618 HZ1 LYS 80 1HZ LYS 80 -4.543 3.392 -12.297 619 HZ2 LYS 80 2HZ LYS 80 -3.586 2.171 -12.970 620 HZ3 LYS 80 3HZ LYS 80 -2.896 3.304 -11.920 621 H ARG 81 H ARG 81 -2.732 5.465 -9.730 622 HA ARG 81 HA ARG 81 -4.257 6.706 -7.581 623 HB2 ARG 81 1HB ARG 81 -3.376 7.919 -9.676 624 HB3 ARG 81 2HB ARG 81 -4.700 7.133 -10.526 625 HG2 ARG 81 1HG ARG 81 -6.260 8.170 -8.859 626 HG3 ARG 81 2HG ARG 81 -4.884 9.098 -8.259 627 HD2 ARG 81 1HD ARG 81 -6.178 10.404 -9.854 628 HD3 ARG 81 2HD ARG 81 -4.566 10.064 -10.484 629 HE ARG 81 HE ARG 81 -6.516 8.146 -11.330 630 HH11 ARG 81 1HH1 ARG 81 -5.175 11.295 -11.972 631 HH12 ARG 81 2HH1 ARG 81 -5.613 11.283 -13.648 632 HH21 ARG 81 1HH2 ARG 81 -7.098 8.119 -13.535 633 HH22 ARG 81 2HH2 ARG 81 -6.708 9.477 -14.536 634 H ILE 82 H ILE 82 -6.164 5.978 -6.916 635 HA ILE 82 HA ILE 82 -7.508 3.914 -8.514 636 HB ILE 82 HB ILE 82 -7.853 4.629 -5.600 637 HG12 ILE 82 1HG1 ILE 82 -5.731 3.536 -5.980 638 HG13 ILE 82 2HG1 ILE 82 -6.830 2.382 -5.233 639 HG21 ILE 82 1HG2 ILE 82 -9.868 3.690 -5.884 640 HG22 ILE 82 2HG2 ILE 82 -9.426 2.980 -7.436 641 HG23 ILE 82 3HG2 ILE 82 -8.976 2.170 -5.936 642 HD11 ILE 82 1HD1 ILE 82 -5.794 1.143 -6.884 643 HD12 ILE 82 2HD1 ILE 82 -7.309 1.626 -7.649 644 HD13 ILE 82 3HD1 ILE 82 -5.814 2.476 -8.039 645 H SER 83 H SER 83 -8.394 6.652 -6.402 646 HA SER 83 HA SER 83 -10.545 7.310 -8.291 647 HB2 SER 83 1HB SER 83 -10.805 7.016 -5.294 648 HB3 SER 83 2HB SER 83 -11.991 7.867 -6.284 649 HG SER 83 HG SER 83 -12.543 5.998 -7.256 650 H GLY 84 H GLY 84 -11.568 9.525 -7.482 651 HA2 GLY 84 1HA GLY 84 -11.257 11.751 -6.908 652 HA3 GLY 84 2HA GLY 84 -9.668 11.336 -6.282 653 H THR 85 H THR 85 -10.389 13.620 -7.895 654 HA THR 85 HA THR 85 -9.619 13.259 -10.592 655 HB THR 85 HB THR 85 -10.889 15.233 -9.758 656 HG1 THR 85 HG1 THR 85 -9.470 16.775 -10.994 657 HG21 THR 85 1HG2 THR 85 -9.934 15.969 -7.796 658 HG22 THR 85 2HG2 THR 85 -9.241 17.115 -8.944 659 HG23 THR 85 3HG2 THR 85 -8.289 15.740 -8.385 660 H SER 86 H SER 86 -7.687 14.666 -11.445 661 HA SER 86 HA SER 86 -5.312 13.422 -10.462 662 HB2 SER 86 1HB SER 86 -5.657 15.612 -12.524 663 HB3 SER 86 2HB SER 86 -4.171 14.706 -12.237 664 HG SER 86 HG SER 86 -6.248 14.043 -13.770 665 H ILE 87 H ILE 87 -6.833 16.525 -10.040 666 HA ILE 87 HA ILE 87 -4.591 17.943 -9.059 667 HB ILE 87 HB ILE 87 -7.554 18.354 -8.754 668 HG12 ILE 87 1HG1 ILE 87 -5.466 20.090 -10.077 669 HG13 ILE 87 2HG1 ILE 87 -6.334 18.817 -10.929 670 HG21 ILE 87 1HG2 ILE 87 -5.313 19.766 -7.379 671 HG22 ILE 87 2HG2 ILE 87 -6.753 20.666 -7.853 672 HG23 ILE 87 3HG2 ILE 87 -6.893 19.292 -6.756 673 HD11 ILE 87 1HD1 ILE 87 -7.562 21.231 -9.618 674 HD12 ILE 87 2HD1 ILE 87 -7.338 20.976 -11.349 675 HD13 ILE 87 3HD1 ILE 87 -8.447 19.947 -10.442 676 H ALA 88 H ALA 88 -7.426 16.911 -7.162 677 HA ALA 88 HA ALA 88 -6.287 17.169 -4.658 678 HB1 ALA 88 1HB ALA 88 -8.067 14.925 -4.651 679 HB2 ALA 88 2HB ALA 88 -8.322 16.554 -4.022 680 HB3 ALA 88 3HB ALA 88 -8.702 16.189 -5.705 681 H PHE 89 H PHE 89 -5.729 14.754 -7.044 682 HA PHE 89 HA PHE 89 -4.751 12.731 -5.269 683 HB2 PHE 89 1HB PHE 89 -5.584 12.007 -7.389 684 HB3 PHE 89 2HB PHE 89 -4.532 13.122 -8.254 685 HD1 PHE 89 HD1 PHE 89 -4.169 10.394 -5.729 686 HD2 PHE 89 HD2 PHE 89 -2.752 12.171 -9.327 687 HE1 PHE 89 HE1 PHE 89 -2.470 8.626 -5.929 688 HE2 PHE 89 HE2 PHE 89 -1.051 10.405 -9.534 689 HZ PHE 89 HZ PHE 89 -0.909 8.629 -7.833 690 H LYS 90 H LYS 90 -3.237 15.142 -7.388 691 HA LYS 90 HA LYS 90 -0.568 14.420 -6.714 692 HB2 LYS 90 1HB LYS 90 -1.340 15.677 -8.786 693 HB3 LYS 90 2HB LYS 90 -1.476 17.100 -7.761 694 HG2 LYS 90 1HG LYS 90 1.012 16.453 -7.149 695 HG3 LYS 90 2HG LYS 90 0.940 15.682 -8.735 696 HD2 LYS 90 1HD LYS 90 0.365 18.579 -8.114 697 HD3 LYS 90 2HD LYS 90 1.784 17.943 -8.951 698 HE2 LYS 90 1HE LYS 90 0.407 17.178 -10.782 699 HE3 LYS 90 2HE LYS 90 -1.057 17.660 -9.926 700 HZ1 LYS 90 1HZ LYS 90 0.121 19.187 -11.731 701 HZ2 LYS 90 2HZ LYS 90 0.943 19.732 -10.356 702 HZ3 LYS 90 3HZ LYS 90 -0.745 19.825 -10.425 703 H ASN 91 H ASN 91 -2.964 16.431 -5.244 704 HA ASN 91 HA ASN 91 -1.209 18.055 -3.702 705 HB2 ASN 91 1HB ASN 91 -4.131 17.496 -3.744 706 HB3 ASN 91 2HB ASN 91 -3.460 18.168 -2.261 707 HD21 ASN 91 1HD2 ASN 91 -5.158 19.778 -3.220 708 HD22 ASN 91 2HD2 ASN 91 -4.472 21.071 -4.137 709 H ILE 92 H ILE 92 -3.462 15.543 -2.546 710 HA ILE 92 HA ILE 92 -2.386 15.212 -0.028 711 HB ILE 92 HB ILE 92 -4.498 14.194 -0.642 712 HG12 ILE 92 1HG1 ILE 92 -4.259 12.102 0.507 713 HG13 ILE 92 2HG1 ILE 92 -2.562 11.982 0.055 714 HG21 ILE 92 1HG2 ILE 92 -4.820 12.811 -2.378 715 HG22 ILE 92 2HG2 ILE 92 -3.255 13.406 -2.930 716 HG23 ILE 92 3HG2 ILE 92 -3.356 11.887 -2.040 717 HD11 ILE 92 1HD1 ILE 92 -2.901 12.610 2.408 718 HD12 ILE 92 2HD1 ILE 92 -2.008 13.828 1.496 719 HD13 ILE 92 3HD1 ILE 92 -3.711 14.083 1.875 720 H ALA 93 H ALA 93 -1.257 13.955 -3.081 721 HA ALA 93 HA ALA 93 0.479 11.961 -2.077 722 HB1 ALA 93 1HB ALA 93 -0.044 13.241 -4.647 723 HB2 ALA 93 2HB ALA 93 1.638 12.757 -4.427 724 HB3 ALA 93 3HB ALA 93 0.350 11.563 -4.273 725 H SER 94 H SER 94 0.935 15.389 -2.817 726 HA SER 94 HA SER 94 3.709 15.510 -2.479 727 HB2 SER 94 1HB SER 94 1.479 17.480 -2.388 728 HB3 SER 94 2HB SER 94 3.025 17.976 -1.701 729 HG SER 94 HG SER 94 3.868 17.090 -3.824 730 H LYS 95 H LYS 95 1.222 15.031 -0.196 731 HA LYS 95 HA LYS 95 2.664 16.059 2.078 732 HB2 LYS 95 1HB LYS 95 0.214 14.289 1.956 733 HB3 LYS 95 2HB LYS 95 0.832 15.083 3.398 734 HG2 LYS 95 1HG LYS 95 0.042 16.649 0.968 735 HG3 LYS 95 2HG LYS 95 -1.140 16.159 2.183 736 HD2 LYS 95 1HD LYS 95 -0.261 17.540 3.792 737 HD3 LYS 95 2HD LYS 95 1.357 17.509 3.086 738 HE2 LYS 95 1HE LYS 95 -0.987 18.868 1.775 739 HE3 LYS 95 2HE LYS 95 0.101 19.693 2.890 740 HZ1 LYS 95 1HZ LYS 95 1.229 18.246 0.595 741 HZ2 LYS 95 2HZ LYS 95 1.835 19.595 1.416 742 HZ3 LYS 95 3HZ LYS 95 0.536 19.770 0.346 743 H ILE 96 H ILE 96 2.343 13.021 0.420 744 HA ILE 96 HA ILE 96 3.512 11.480 2.569 745 HB ILE 96 HB ILE 96 3.047 10.624 -0.287 746 HG12 ILE 96 1HG1 ILE 96 0.954 11.408 0.747 747 HG13 ILE 96 2HG1 ILE 96 0.934 9.665 0.498 748 HG21 ILE 96 1HG2 ILE 96 3.068 8.365 0.651 749 HG22 ILE 96 2HG2 ILE 96 4.588 9.205 0.955 750 HG23 ILE 96 3HG2 ILE 96 3.402 9.032 2.249 751 HD11 ILE 96 1HD1 ILE 96 1.966 10.175 3.088 752 HD12 ILE 96 2HD1 ILE 96 0.486 11.111 2.880 753 HD13 ILE 96 3HD1 ILE 96 0.468 9.365 2.632 754 H ALA 97 H ALA 97 4.485 11.907 -0.838 755 HA ALA 97 HA ALA 97 7.021 10.982 -0.778 756 HB1 ALA 97 1HB ALA 97 7.548 12.861 -2.456 757 HB2 ALA 97 2HB ALA 97 6.267 11.715 -2.853 758 HB3 ALA 97 3HB ALA 97 5.858 13.320 -2.247 759 H ASN 98 H ASN 98 6.120 14.336 0.035 760 HA ASN 98 HA ASN 98 8.666 15.236 0.725 761 HB2 ASN 98 1HB ASN 98 6.515 16.592 0.424 762 HB3 ASN 98 2HB ASN 98 6.146 16.167 2.093 763 HD21 ASN 98 1HD2 ASN 98 6.986 18.683 0.516 764 HD22 ASN 98 2HD2 ASN 98 8.191 19.391 1.532 765 H GLU 99 H GLU 99 6.087 14.074 2.900 766 HA GLU 99 HA GLU 99 7.443 14.187 5.291 767 HB2 GLU 99 1HB GLU 99 5.251 12.460 4.242 768 HB3 GLU 99 2HB GLU 99 5.999 12.008 5.768 769 HG2 GLU 99 1HG GLU 99 5.508 14.293 6.614 770 HG3 GLU 99 2HG GLU 99 4.621 14.602 5.122 771 H LEU 100 H LEU 100 7.285 11.394 3.083 772 HA LEU 100 HA LEU 100 8.754 9.528 4.342 773 HB2 LEU 100 1HB LEU 100 9.063 10.348 1.458 774 HB3 LEU 100 2HB LEU 100 9.638 8.828 2.140 775 HG LEU 100 HG LEU 100 6.743 9.668 2.039 776 HD11 LEU 100 1HD1 LEU 100 6.508 8.708 0.025 777 HD12 LEU 100 2HD1 LEU 100 7.670 7.430 0.383 778 HD13 LEU 100 3HD1 LEU 100 8.238 9.020 -0.128 779 HD21 LEU 100 1HD2 LEU 100 6.335 7.916 3.337 780 HD22 LEU 100 2HD2 LEU 100 8.073 7.699 3.544 781 HD23 LEU 100 3HD2 LEU 100 7.227 6.854 2.246 782 H LYS 101 H LYS 101 10.665 9.441 5.303 783 HA LYS 101 HA LYS 101 12.669 11.483 4.658 784 HB2 LYS 101 1HB LYS 101 12.052 9.850 7.079 785 HB3 LYS 101 2HB LYS 101 13.710 10.385 6.835 786 HG2 LYS 101 1HG LYS 101 12.707 12.725 6.543 787 HG3 LYS 101 2HG LYS 101 11.247 12.037 7.259 788 HD2 LYS 101 1HD LYS 101 12.640 11.290 9.193 789 HD3 LYS 101 2HD LYS 101 13.996 12.179 8.494 790 HE2 LYS 101 1HE LYS 101 12.524 14.224 8.540 791 HE3 LYS 101 2HE LYS 101 11.376 13.283 9.490 792 HZ1 LYS 101 1HZ LYS 101 13.059 12.969 11.177 793 HZ2 LYS 101 2HZ LYS 101 12.840 14.621 10.886 794 HZ3 LYS 101 3HZ LYS 101 14.194 13.824 10.258 795 H LEU 102 H LEU 102 13.053 10.157 2.649 796 HA LEU 102 HA LEU 102 14.921 7.950 3.215 797 HB2 LEU 102 1HB LEU 102 13.472 8.420 0.622 798 HB3 LEU 102 2HB LEU 102 14.371 6.987 1.113 799 HG LEU 102 HG LEU 102 11.864 7.861 2.525 800 HD11 LEU 102 1HD1 LEU 102 10.807 6.007 1.112 801 HD12 LEU 102 2HD1 LEU 102 12.174 6.238 0.022 802 HD13 LEU 102 3HD1 LEU 102 11.071 7.575 0.348 803 HD21 LEU 102 1HD2 LEU 102 13.752 5.646 2.713 804 HD22 LEU 102 2HD2 LEU 102 12.072 5.125 2.592 805 HD23 LEU 102 3HD2 LEU 102 12.563 6.227 3.879 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -3.060 24.741 -23.645 2 HA2 GLY 1 1HA GLY 1 -1.308 26.638 -24.985 3 HA3 GLY 1 2HA GLY 1 -0.808 25.234 -24.054 4 H SER 2 H SER 2 0.674 24.672 -25.705 5 HA SER 2 HA SER 2 0.098 24.325 -28.396 6 HB2 SER 2 1HB SER 2 1.984 22.614 -26.762 7 HB3 SER 2 2HB SER 2 2.056 22.904 -28.500 8 HG SER 2 HG SER 2 3.366 24.446 -27.889 9 H SER 3 H SER 3 -1.467 23.152 -29.271 10 HA SER 3 HA SER 3 -2.499 20.805 -27.911 11 HB2 SER 3 1HB SER 3 -3.372 22.020 -30.543 12 HB3 SER 3 2HB SER 3 -4.257 20.831 -29.588 13 HG SER 3 HG SER 3 -5.152 22.595 -28.824 14 H GLY 4 H GLY 4 -1.737 18.833 -28.265 15 HA2 GLY 4 1HA GLY 4 -1.522 17.271 -30.330 16 HA3 GLY 4 2HA GLY 4 -0.178 18.339 -30.705 17 H SER 5 H SER 5 1.764 17.838 -29.915 18 HA SER 5 HA SER 5 2.517 15.486 -28.877 19 HB2 SER 5 1HB SER 5 4.547 16.490 -28.115 20 HB3 SER 5 2HB SER 5 4.019 17.428 -29.513 21 HG SER 5 HG SER 5 2.899 18.681 -27.632 22 H SER 6 H SER 6 2.960 14.598 -26.822 23 HA SER 6 HA SER 6 1.878 15.935 -24.476 24 HB2 SER 6 1HB SER 6 -0.089 14.792 -25.296 25 HB3 SER 6 2HB SER 6 0.813 13.290 -25.493 26 HG SER 6 HG SER 6 -0.535 13.967 -23.409 27 H GLY 7 H GLY 7 3.509 15.809 -23.084 28 HA2 GLY 7 1HA GLY 7 5.660 14.054 -23.197 29 HA3 GLY 7 2HA GLY 7 5.167 14.935 -21.759 30 H ARG 8 H ARG 8 6.048 12.033 -22.541 31 HA ARG 8 HA ARG 8 3.859 10.426 -21.604 32 HB2 ARG 8 1HB ARG 8 5.892 9.823 -23.186 33 HB3 ARG 8 2HB ARG 8 6.664 9.406 -21.662 34 HG2 ARG 8 1HG ARG 8 5.217 7.660 -21.250 35 HG3 ARG 8 2HG ARG 8 3.956 8.323 -22.292 36 HD2 ARG 8 1HD ARG 8 4.728 6.620 -23.613 37 HD3 ARG 8 2HD ARG 8 5.758 7.940 -24.166 38 HE ARG 8 HE ARG 8 7.180 6.798 -22.149 39 HH11 ARG 8 1HH1 ARG 8 5.708 5.606 -25.070 40 HH12 ARG 8 2HH1 ARG 8 6.870 4.341 -25.294 41 HH21 ARG 8 1HH2 ARG 8 8.715 5.135 -22.432 42 HH22 ARG 8 2HH2 ARG 8 8.579 4.073 -23.793 43 H PHE 9 H PHE 9 3.271 10.361 -19.545 44 HA PHE 9 HA PHE 9 5.151 11.048 -17.445 45 HB2 PHE 9 1HB PHE 9 2.642 11.746 -17.627 46 HB3 PHE 9 2HB PHE 9 2.331 10.150 -16.951 47 HD1 PHE 9 HD2 PHE 9 4.800 12.869 -16.271 48 HD2 PHE 9 HD1 PHE 9 1.847 10.226 -14.718 49 HE1 PHE 9 HE2 PHE 9 5.201 13.755 -14.011 50 HE2 PHE 9 HE1 PHE 9 2.243 11.108 -12.455 51 HZ PHE 9 HZ PHE 9 3.922 12.874 -12.099 52 H THR 10 H THR 10 6.544 9.438 -17.000 53 HA THR 10 HA THR 10 5.929 6.681 -17.145 54 HB THR 10 HB THR 10 8.131 7.644 -15.370 55 HG1 THR 10 HG1 THR 10 8.449 9.037 -17.043 56 HG21 THR 10 1HG2 THR 10 9.237 5.842 -16.996 57 HG22 THR 10 2HG2 THR 10 7.554 5.337 -17.147 58 HG23 THR 10 3HG2 THR 10 8.323 5.380 -15.561 59 H TRP 11 H TRP 11 6.243 5.198 -15.213 60 HA TRP 11 HA TRP 11 4.454 6.107 -13.094 61 HB2 TRP 11 1HB TRP 11 4.361 3.831 -14.449 62 HB3 TRP 11 2HB TRP 11 5.504 3.314 -13.212 63 HD1 TRP 11 HD1 TRP 11 2.632 5.696 -12.355 64 HE1 TRP 11 HE1 TRP 11 1.009 4.487 -10.765 65 HE3 TRP 11 HE3 TRP 11 4.668 1.010 -12.528 66 HZ2 TRP 11 HZ2 TRP 11 0.640 1.890 -9.722 67 HZ3 TRP 11 HZ3 TRP 11 3.620 -0.781 -11.204 68 HH2 TRP 11 HH2 TRP 11 1.649 -0.347 -9.830 69 H SER 12 H SER 12 6.335 7.511 -12.373 70 HA SER 12 HA SER 12 7.511 6.322 -10.062 71 HB2 SER 12 1HB SER 12 9.831 6.487 -10.625 72 HB3 SER 12 2HB SER 12 9.058 5.572 -11.919 73 HG SER 12 HG SER 12 9.542 8.364 -12.026 74 H MET 13 H MET 13 9.319 8.026 -9.237 75 HA MET 13 HA MET 13 8.696 10.760 -9.875 76 HB2 MET 13 1HB MET 13 7.827 11.392 -7.700 77 HB3 MET 13 2HB MET 13 6.801 10.153 -8.411 78 HG2 MET 13 1HG MET 13 8.948 9.595 -6.381 79 HG3 MET 13 2HG MET 13 7.255 9.874 -5.980 80 HE1 MET 13 1HE MET 13 9.676 7.756 -5.909 81 HE2 MET 13 2HE MET 13 8.676 6.385 -5.429 82 HE3 MET 13 3HE MET 13 9.506 6.369 -6.986 83 H LYS 14 H LYS 14 9.763 12.198 -8.012 84 HA LYS 14 HA LYS 14 12.514 11.256 -7.857 85 HB2 LYS 14 1HB LYS 14 11.246 13.940 -7.296 86 HB3 LYS 14 2HB LYS 14 12.959 13.608 -7.073 87 HG2 LYS 14 1HG LYS 14 11.586 13.171 -9.704 88 HG3 LYS 14 2HG LYS 14 12.257 14.736 -9.238 89 HD2 LYS 14 1HD LYS 14 14.446 13.912 -9.191 90 HD3 LYS 14 2HD LYS 14 13.909 12.233 -9.115 91 HE2 LYS 14 1HE LYS 14 14.768 12.697 -11.319 92 HE3 LYS 14 2HE LYS 14 13.024 12.452 -11.412 93 HZ1 LYS 14 1HZ LYS 14 14.511 15.009 -11.561 94 HZ2 LYS 14 2HZ LYS 14 12.841 14.946 -11.301 95 HZ3 LYS 14 3HZ LYS 14 13.499 14.322 -12.730 96 H THR 15 H THR 15 11.145 9.709 -6.207 97 HA THR 15 HA THR 15 11.807 10.754 -3.533 98 HB THR 15 HB THR 15 9.521 8.858 -4.080 99 HG1 THR 15 HG1 THR 15 8.207 10.569 -4.191 100 HG21 THR 15 1HG2 THR 15 9.497 8.619 -1.865 101 HG22 THR 15 2HG2 THR 15 9.218 10.352 -1.695 102 HG23 THR 15 3HG2 THR 15 10.864 9.721 -1.713 103 H THR 16 H THR 16 13.589 9.304 -5.122 104 HA THR 16 HA THR 16 13.589 6.538 -4.762 105 HB THR 16 HB THR 16 15.959 6.581 -5.225 106 HG1 THR 16 HG1 THR 16 17.185 8.291 -4.811 107 HG21 THR 16 1HG2 THR 16 15.919 8.325 -7.179 108 HG22 THR 16 2HG2 THR 16 14.217 8.477 -6.742 109 HG23 THR 16 3HG2 THR 16 14.866 6.912 -7.231 110 H SER 17 H SER 17 14.924 5.232 -3.337 111 HA SER 17 HA SER 17 15.512 6.480 -0.744 112 HB2 SER 17 1HB SER 17 14.275 4.942 0.487 113 HB3 SER 17 2HB SER 17 13.234 5.195 -0.914 114 HG SER 17 HG SER 17 14.971 3.023 -0.392 115 H SER 18 H SER 18 17.328 5.763 0.238 116 HA SER 18 HA SER 18 18.870 3.707 -1.189 117 HB2 SER 18 1HB SER 18 20.860 4.717 -0.210 118 HB3 SER 18 2HB SER 18 19.900 5.960 -1.011 119 HG SER 18 HG SER 18 18.961 6.204 1.239 120 H MET 19 H MET 19 17.050 2.513 0.283 121 HA MET 19 HA MET 19 18.607 1.266 2.387 122 HB2 MET 19 1HB MET 19 15.904 2.496 2.955 123 HB3 MET 19 2HB MET 19 16.806 1.469 4.062 124 HG2 MET 19 1HG MET 19 18.673 3.239 3.793 125 HG3 MET 19 2HG MET 19 17.374 4.268 3.194 126 HE1 MET 19 1HE MET 19 14.916 4.478 6.064 127 HE2 MET 19 2HE MET 19 15.055 4.010 4.369 128 HE3 MET 19 3HE MET 19 14.986 2.771 5.623 129 H ASP 20 H ASP 20 17.505 -0.700 3.241 130 HA ASP 20 HA ASP 20 16.653 -2.357 1.154 131 HB2 ASP 20 1HB ASP 20 16.671 -2.599 4.139 132 HB3 ASP 20 2HB ASP 20 15.836 -3.818 3.180 133 HA PRO 21 HA PRO 21 12.359 -1.523 0.731 134 HB2 PRO 21 1HB PRO 21 11.500 -3.937 -0.165 135 HB3 PRO 21 2HB PRO 21 12.438 -2.820 -1.164 136 HG2 PRO 21 1HG PRO 21 13.357 -5.225 0.363 137 HG3 PRO 21 2HG PRO 21 13.799 -4.702 -1.273 138 HD2 PRO 21 1HD PRO 21 15.393 -4.275 0.873 139 HD3 PRO 21 2HD PRO 21 15.323 -3.155 -0.503 140 H SER 22 H SER 22 13.540 -3.966 2.854 141 HA SER 22 HA SER 22 11.028 -4.812 3.908 142 HB2 SER 22 1HB SER 22 13.894 -5.153 4.695 143 HB3 SER 22 2HB SER 22 12.640 -5.525 5.878 144 HG SER 22 HG SER 22 11.741 -6.749 3.897 145 H ASP 23 H ASP 23 13.209 -2.187 4.566 146 HA ASP 23 HA ASP 23 11.917 -1.508 7.075 147 HB2 ASP 23 1HB ASP 23 14.119 -0.160 5.502 148 HB3 ASP 23 2HB ASP 23 13.500 0.437 7.039 149 H MET 24 H MET 24 12.053 -0.339 3.754 150 HA MET 24 HA MET 24 10.811 2.099 3.955 151 HB2 MET 24 1HB MET 24 10.700 -0.036 1.846 152 HB3 MET 24 2HB MET 24 9.771 1.446 1.665 153 HG2 MET 24 1HG MET 24 12.657 1.677 2.314 154 HG3 MET 24 2HG MET 24 12.202 1.190 0.682 155 HE1 MET 24 1HE MET 24 10.435 4.171 -0.819 156 HE2 MET 24 2HE MET 24 11.774 3.087 -1.197 157 HE3 MET 24 3HE MET 24 10.258 2.433 -0.577 158 H MET 25 H MET 25 9.357 -1.098 4.110 159 HA MET 25 HA MET 25 6.666 -0.366 3.879 160 HB2 MET 25 1HB MET 25 8.061 -2.661 5.228 161 HB3 MET 25 2HB MET 25 6.314 -2.486 5.318 162 HG2 MET 25 1HG MET 25 6.533 -2.274 2.707 163 HG3 MET 25 2HG MET 25 8.039 -3.143 2.993 164 HE1 MET 25 1HE MET 25 4.038 -3.439 3.864 165 HE2 MET 25 2HE MET 25 4.558 -3.264 2.188 166 HE3 MET 25 3HE MET 25 3.893 -4.799 2.750 167 H ARG 26 H ARG 26 8.800 -0.496 6.693 168 HA ARG 26 HA ARG 26 6.859 -0.007 8.662 169 HB2 ARG 26 1HB ARG 26 9.204 -0.784 9.072 170 HB3 ARG 26 2HB ARG 26 9.755 0.850 8.728 171 HG2 ARG 26 1HG ARG 26 8.588 1.714 10.629 172 HG3 ARG 26 2HG ARG 26 7.815 0.154 10.919 173 HD2 ARG 26 1HD ARG 26 9.832 -0.839 11.600 174 HD3 ARG 26 2HD ARG 26 10.800 0.469 10.922 175 HE ARG 26 HE ARG 26 9.064 1.407 12.971 176 HH11 ARG 26 1HH1 ARG 26 12.059 -0.278 12.413 177 HH12 ARG 26 2HH1 ARG 26 12.755 0.187 13.930 178 HH21 ARG 26 1HH2 ARG 26 9.969 2.026 14.971 179 HH22 ARG 26 2HH2 ARG 26 11.564 1.497 15.385 180 H GLU 27 H GLU 27 9.092 2.269 7.064 181 HA GLU 27 HA GLU 27 8.144 4.601 8.255 182 HB2 GLU 27 1HB GLU 27 10.213 4.590 7.008 183 HB3 GLU 27 2HB GLU 27 9.364 4.180 5.524 184 HG2 GLU 27 1HG GLU 27 9.639 6.408 5.203 185 HG3 GLU 27 2HG GLU 27 8.087 6.424 6.037 186 H ILE 28 H ILE 28 7.271 3.256 5.070 187 HA ILE 28 HA ILE 28 5.452 5.018 4.155 188 HB ILE 28 HB ILE 28 5.313 2.014 4.118 189 HG12 ILE 28 1HG1 ILE 28 5.923 4.077 1.990 190 HG13 ILE 28 2HG1 ILE 28 7.114 3.098 2.838 191 HG21 ILE 28 1HG2 ILE 28 3.604 2.375 2.264 192 HG22 ILE 28 2HG2 ILE 28 3.046 2.586 3.923 193 HG23 ILE 28 3HG2 ILE 28 3.400 3.997 2.925 194 HD11 ILE 28 1HD1 ILE 28 6.936 1.783 1.037 195 HD12 ILE 28 2HD1 ILE 28 5.493 1.177 1.851 196 HD13 ILE 28 3HD1 ILE 28 5.348 2.414 0.602 197 H ARG 29 H ARG 29 4.759 2.500 6.566 198 HA ARG 29 HA ARG 29 2.043 3.286 6.925 199 HB2 ARG 29 1HB ARG 29 3.902 1.544 8.540 200 HB3 ARG 29 2HB ARG 29 2.231 1.837 9.004 201 HG2 ARG 29 1HG ARG 29 1.436 0.814 6.976 202 HG3 ARG 29 2HG ARG 29 3.088 0.637 6.380 203 HD2 ARG 29 1HD ARG 29 2.265 -0.583 8.987 204 HD3 ARG 29 2HD ARG 29 1.907 -1.397 7.465 205 HE ARG 29 HE ARG 29 4.660 -0.596 7.781 206 HH11 ARG 29 1HH1 ARG 29 2.297 -3.100 8.297 207 HH12 ARG 29 2HH1 ARG 29 3.471 -4.372 8.374 208 HH21 ARG 29 1HH2 ARG 29 6.215 -2.262 7.881 209 HH22 ARG 29 2HH2 ARG 29 5.699 -3.894 8.138 210 H LYS 30 H LYS 30 4.849 3.521 9.119 211 HA LYS 30 HA LYS 30 3.848 4.966 11.162 212 HB2 LYS 30 1HB LYS 30 6.151 4.332 11.189 213 HB3 LYS 30 2HB LYS 30 6.504 5.312 9.772 214 HG2 LYS 30 1HG LYS 30 5.865 7.321 11.177 215 HG3 LYS 30 2HG LYS 30 5.907 6.233 12.566 216 HD2 LYS 30 1HD LYS 30 8.227 6.443 10.674 217 HD3 LYS 30 2HD LYS 30 8.027 7.578 12.012 218 HE2 LYS 30 1HE LYS 30 8.067 5.763 13.606 219 HE3 LYS 30 2HE LYS 30 8.122 4.577 12.303 220 HZ1 LYS 30 1HZ LYS 30 10.221 6.623 12.765 221 HZ2 LYS 30 2HZ LYS 30 10.283 5.324 11.684 222 HZ3 LYS 30 3HZ LYS 30 10.303 5.037 13.351 223 H VAL 31 H VAL 31 4.462 6.146 7.931 224 HA VAL 31 HA VAL 31 4.033 8.913 8.619 225 HB VAL 31 HB VAL 31 4.266 7.520 5.952 226 HG11 VAL 31 1HG1 VAL 31 2.964 9.355 5.401 227 HG12 VAL 31 2HG1 VAL 31 3.700 10.377 6.636 228 HG13 VAL 31 3HG1 VAL 31 4.600 9.971 5.175 229 HG21 VAL 31 1HG2 VAL 31 6.245 9.530 6.641 230 HG22 VAL 31 2HG2 VAL 31 6.198 8.208 7.807 231 HG23 VAL 31 3HG2 VAL 31 6.466 7.867 6.098 232 H LEU 32 H LEU 32 2.244 6.475 6.733 233 HA LEU 32 HA LEU 32 0.005 7.987 6.122 234 HB2 LEU 32 1HB LEU 32 0.277 5.041 6.674 235 HB3 LEU 32 2HB LEU 32 -1.202 5.778 6.063 236 HG LEU 32 HG LEU 32 1.350 6.166 4.561 237 HD11 LEU 32 1HD1 LEU 32 1.363 3.800 4.923 238 HD12 LEU 32 2HD1 LEU 32 0.820 4.106 3.274 239 HD13 LEU 32 3HD1 LEU 32 -0.350 3.679 4.522 240 HD21 LEU 32 1HD2 LEU 32 -0.078 6.446 2.709 241 HD22 LEU 32 2HD2 LEU 32 -0.849 7.317 4.035 242 HD23 LEU 32 3HD2 LEU 32 -1.449 5.728 3.554 243 H GLY 33 H GLY 33 0.706 6.103 9.036 244 HA2 GLY 33 1HA GLY 33 -1.805 6.373 10.271 245 HA3 GLY 33 2HA GLY 33 -0.287 6.076 11.104 246 H ALA 34 H ALA 34 1.064 8.441 10.380 247 HA ALA 34 HA ALA 34 0.094 10.206 12.364 248 HB1 ALA 34 1HB ALA 34 2.404 10.253 12.029 249 HB2 ALA 34 2HB ALA 34 2.241 10.427 10.281 250 HB3 ALA 34 3HB ALA 34 1.840 11.777 11.343 251 H ASN 35 H ASN 35 -0.253 10.092 8.875 252 HA ASN 35 HA ASN 35 -1.519 12.697 8.766 253 HB2 ASN 35 1HB ASN 35 -0.723 10.631 6.753 254 HB3 ASN 35 2HB ASN 35 -1.930 11.833 6.308 255 HD21 ASN 35 1HD2 ASN 35 1.373 11.185 6.803 256 HD22 ASN 35 2HD2 ASN 35 1.975 12.769 6.464 257 H ASN 36 H ASN 36 -2.730 10.539 10.364 258 HA ASN 36 HA ASN 36 -4.717 9.424 10.662 259 HB2 ASN 36 1HB ASN 36 -5.412 12.173 9.682 260 HB3 ASN 36 2HB ASN 36 -6.693 11.020 10.042 261 HD21 ASN 36 1HD2 ASN 36 -4.687 13.369 11.287 262 HD22 ASN 36 2HD2 ASN 36 -4.918 13.052 12.970 263 H CYS 37 H CYS 37 -3.636 8.327 8.487 264 HA CYS 37 HA CYS 37 -5.801 8.244 6.492 265 HB2 CYS 37 1HB CYS 37 -2.835 7.881 6.271 266 HB3 CYS 37 2HB CYS 37 -3.893 7.085 5.112 267 HG CYS 37 HG CYS 37 -3.335 10.410 5.542 268 H ASP 38 H ASP 38 -6.246 6.139 5.519 269 HA ASP 38 HA ASP 38 -5.954 3.986 7.503 270 HB2 ASP 38 1HB ASP 38 -8.116 4.755 5.607 271 HB3 ASP 38 2HB ASP 38 -7.897 3.038 5.932 272 H TYR 39 H TYR 39 -4.500 2.490 7.030 273 HA TYR 39 HA TYR 39 -3.935 1.916 4.197 274 HB2 TYR 39 1HB TYR 39 -1.732 1.062 5.028 275 HB3 TYR 39 2HB TYR 39 -1.976 2.786 5.284 276 HD1 TYR 39 HD1 TYR 39 -2.593 3.599 7.583 277 HD2 TYR 39 HD2 TYR 39 -1.334 -0.398 6.844 278 HE1 TYR 39 HE1 TYR 39 -2.102 3.317 9.977 279 HE2 TYR 39 HE2 TYR 39 -0.841 -0.691 9.235 280 HH TYR 39 HH TYR 39 -1.030 0.202 11.277 281 H GLU 40 H GLU 40 -3.589 -0.263 3.569 282 HA GLU 40 HA GLU 40 -4.406 -2.329 5.471 283 HB2 GLU 40 1HB GLU 40 -5.808 -1.625 2.918 284 HB3 GLU 40 2HB GLU 40 -5.800 -3.291 3.478 285 HG2 GLU 40 1HG GLU 40 -7.809 -2.249 4.225 286 HG3 GLU 40 2HG GLU 40 -6.771 -2.524 5.624 287 H GLN 41 H GLN 41 -3.516 -4.330 5.103 288 HA GLN 41 HA GLN 41 -1.195 -4.395 3.423 289 HB2 GLN 41 1HB GLN 41 -1.296 -5.497 5.647 290 HB3 GLN 41 2HB GLN 41 -2.469 -6.637 5.000 291 HG2 GLN 41 1HG GLN 41 -0.543 -7.848 4.820 292 HG3 GLN 41 2HG GLN 41 -0.609 -7.096 3.228 293 HE21 GLN 41 1HE2 GLN 41 1.705 -7.607 3.271 294 HE22 GLN 41 2HE2 GLN 41 2.787 -6.471 3.994 295 H ARG 42 H ARG 42 -1.411 -4.619 1.293 296 HA ARG 42 HA ARG 42 -3.540 -6.318 0.225 297 HB2 ARG 42 1HB ARG 42 -1.652 -4.440 -1.208 298 HB3 ARG 42 2HB ARG 42 -3.002 -5.298 -1.939 299 HG2 ARG 42 1HG ARG 42 -3.563 -3.541 0.386 300 HG3 ARG 42 2HG ARG 42 -3.201 -2.786 -1.167 301 HD2 ARG 42 1HD ARG 42 -5.306 -4.903 -0.751 302 HD3 ARG 42 2HD ARG 42 -5.629 -3.170 -0.756 303 HE ARG 42 HE ARG 42 -4.358 -3.596 -3.117 304 HH11 ARG 42 1HH1 ARG 42 -7.144 -5.004 -1.574 305 HH12 ARG 42 2HH1 ARG 42 -7.947 -5.370 -3.065 306 HH21 ARG 42 1HH2 ARG 42 -5.406 -4.074 -5.087 307 HH22 ARG 42 2HH2 ARG 42 -6.957 -4.842 -5.062 308 H GLU 43 H GLU 43 -0.233 -5.691 -0.927 309 HA GLU 43 HA GLU 43 0.048 -8.573 -1.421 310 HB2 GLU 43 1HB GLU 43 1.504 -6.210 -2.615 311 HB3 GLU 43 2HB GLU 43 1.902 -7.889 -2.954 312 HG2 GLU 43 1HG GLU 43 0.520 -6.839 -4.702 313 HG3 GLU 43 2HG GLU 43 -0.237 -8.254 -3.972 314 H ARG 44 H ARG 44 2.640 -9.027 -1.525 315 HA ARG 44 HA ARG 44 3.456 -9.195 1.143 316 HB2 ARG 44 1HB ARG 44 4.263 -10.698 -0.632 317 HB3 ARG 44 2HB ARG 44 5.160 -9.366 -1.349 318 HG2 ARG 44 1HG ARG 44 6.543 -9.206 0.650 319 HG3 ARG 44 2HG ARG 44 5.633 -10.525 1.389 320 HD2 ARG 44 1HD ARG 44 7.214 -10.727 -1.171 321 HD3 ARG 44 2HD ARG 44 7.780 -11.259 0.411 322 HE ARG 44 HE ARG 44 5.303 -12.474 -0.197 323 HH11 ARG 44 1HH1 ARG 44 8.677 -12.575 -1.051 324 HH12 ARG 44 2HH1 ARG 44 8.645 -14.245 -1.511 325 HH21 ARG 44 1HH2 ARG 44 5.248 -14.674 -0.799 326 HH22 ARG 44 2HH2 ARG 44 6.694 -15.438 -1.367 327 H PHE 45 H PHE 45 4.310 -6.888 -1.393 328 HA PHE 45 HA PHE 45 5.511 -5.179 0.680 329 HB2 PHE 45 1HB PHE 45 6.626 -6.032 -1.942 330 HB3 PHE 45 2HB PHE 45 6.913 -4.367 -1.449 331 HD1 PHE 45 HD2 PHE 45 7.615 -4.227 1.174 332 HD2 PHE 45 HD1 PHE 45 8.296 -7.508 -1.449 333 HE1 PHE 45 HE2 PHE 45 9.484 -4.968 2.593 334 HE2 PHE 45 HE1 PHE 45 10.165 -8.256 -0.035 335 HZ PHE 45 HZ PHE 45 10.762 -6.984 1.989 336 H LEU 46 H LEU 46 2.849 -5.019 -0.070 337 HA LEU 46 HA LEU 46 2.806 -2.369 -1.315 338 HB2 LEU 46 1HB LEU 46 2.224 -4.249 -2.952 339 HB3 LEU 46 2HB LEU 46 0.744 -4.436 -2.013 340 HG LEU 46 HG LEU 46 1.417 -1.745 -3.103 341 HD11 LEU 46 1HD1 LEU 46 1.570 -2.572 -5.176 342 HD12 LEU 46 2HD1 LEU 46 -0.174 -2.798 -5.049 343 HD13 LEU 46 3HD1 LEU 46 0.917 -4.141 -4.705 344 HD21 LEU 46 1HD2 LEU 46 -0.637 -2.686 -1.619 345 HD22 LEU 46 2HD2 LEU 46 -1.289 -2.890 -3.245 346 HD23 LEU 46 3HD2 LEU 46 -0.752 -1.299 -2.702 347 H LEU 47 H LEU 47 1.159 -1.016 -0.599 348 HA LEU 47 HA LEU 47 -0.696 -2.062 1.406 349 HB2 LEU 47 1HB LEU 47 1.264 0.179 1.834 350 HB3 LEU 47 2HB LEU 47 -0.171 -0.041 2.833 351 HG LEU 47 HG LEU 47 2.016 -2.097 2.542 352 HD11 LEU 47 1HD1 LEU 47 2.372 0.293 3.739 353 HD12 LEU 47 2HD1 LEU 47 3.151 -1.199 4.264 354 HD13 LEU 47 3HD1 LEU 47 1.691 -0.636 5.075 355 HD21 LEU 47 1HD2 LEU 47 -0.612 -2.211 3.589 356 HD22 LEU 47 2HD2 LEU 47 0.509 -2.269 4.950 357 HD23 LEU 47 3HD2 LEU 47 0.646 -3.447 3.644 358 H PHE 48 H PHE 48 -2.437 -0.542 1.925 359 HA PHE 48 HA PHE 48 -3.175 0.997 -0.447 360 HB2 PHE 48 1HB PHE 48 -4.660 -0.781 0.781 361 HB3 PHE 48 2HB PHE 48 -5.009 0.549 1.880 362 HD1 PHE 48 HD2 PHE 48 -4.735 0.121 -1.821 363 HD2 PHE 48 HD1 PHE 48 -7.000 1.591 1.469 364 HE1 PHE 48 HE2 PHE 48 -6.451 0.950 -3.377 365 HE2 PHE 48 HE1 PHE 48 -8.720 2.422 -0.082 366 HZ PHE 48 HZ PHE 48 -8.446 2.103 -2.508 367 H CYS 49 H CYS 49 -3.984 3.134 -0.308 368 HA CYS 49 HA CYS 49 -3.319 4.573 2.169 369 HB2 CYS 49 1HB CYS 49 -2.818 5.826 -0.511 370 HB3 CYS 49 2HB CYS 49 -2.127 6.241 1.052 371 HG CYS 49 HG CYS 49 -1.362 3.207 -0.239 372 H VAL 50 H VAL 50 -4.936 5.783 2.896 373 HA VAL 50 HA VAL 50 -6.911 6.826 0.987 374 HB VAL 50 HB VAL 50 -7.550 5.389 3.565 375 HG11 VAL 50 1HG1 VAL 50 -9.029 7.223 3.501 376 HG12 VAL 50 2HG1 VAL 50 -9.273 7.066 1.761 377 HG13 VAL 50 3HG1 VAL 50 -9.941 5.858 2.859 378 HG21 VAL 50 1HG2 VAL 50 -9.082 4.242 1.670 379 HG22 VAL 50 2HG2 VAL 50 -7.677 4.690 0.703 380 HG23 VAL 50 3HG2 VAL 50 -7.480 3.656 2.118 381 H HIS 51 H HIS 51 -7.585 8.867 1.377 382 HA HIS 51 HA HIS 51 -7.239 10.081 3.984 383 HB2 HIS 51 1HB HIS 51 -5.037 10.288 2.648 384 HB3 HIS 51 2HB HIS 51 -5.915 11.445 1.652 385 HD1 HIS 51 HD1 HIS 51 -5.149 13.693 2.332 386 HD2 HIS 51 HD2 HIS 51 -5.735 11.206 5.608 387 HE1 HIS 51 HE1 HIS 51 -4.727 15.130 4.351 388 HE2 HIS 51 HE2 HIS 51 -5.003 13.583 6.319 389 H GLY 52 H GLY 52 -8.398 12.033 4.238 390 HA2 GLY 52 1HA GLY 52 -10.648 12.258 2.428 391 HA3 GLY 52 2HA GLY 52 -10.438 13.116 3.947 392 H ASP 53 H ASP 53 -8.230 14.548 3.704 393 HA ASP 53 HA ASP 53 -7.590 16.614 2.956 394 HB2 ASP 53 1HB ASP 53 -6.671 16.615 0.741 395 HB3 ASP 53 2HB ASP 53 -6.424 15.007 1.416 396 H GLY 54 H GLY 54 -10.422 16.329 3.242 397 HA2 GLY 54 1HA GLY 54 -11.609 18.531 2.600 398 HA3 GLY 54 2HA GLY 54 -11.465 17.883 0.972 399 H HIS 55 H HIS 55 -13.606 17.617 0.522 400 HA HIS 55 HA HIS 55 -15.475 16.488 2.337 401 HB2 HIS 55 1HB HIS 55 -15.494 17.159 -0.581 402 HB3 HIS 55 2HB HIS 55 -16.791 16.168 0.082 403 HD1 HIS 55 HD1 HIS 55 -18.627 17.358 1.309 404 HD2 HIS 55 HD2 HIS 55 -15.346 19.802 0.585 405 HE1 HIS 55 HE1 HIS 55 -19.352 19.672 1.976 406 HE2 HIS 55 HE2 HIS 55 -17.380 21.147 1.448 407 H ALA 56 H ALA 56 -16.705 14.476 1.900 408 HA ALA 56 HA ALA 56 -14.918 12.262 1.693 409 HB1 ALA 56 1HB ALA 56 -16.956 10.891 1.996 410 HB2 ALA 56 2HB ALA 56 -16.782 12.154 3.216 411 HB3 ALA 56 3HB ALA 56 -17.924 12.362 1.889 412 H GLU 57 H GLU 57 -17.584 13.460 -0.334 413 HA GLU 57 HA GLU 57 -17.539 11.489 -2.289 414 HB2 GLU 57 1HB GLU 57 -18.828 12.922 -3.607 415 HB3 GLU 57 2HB GLU 57 -19.168 13.462 -1.969 416 HG2 GLU 57 1HG GLU 57 -17.473 15.250 -2.267 417 HG3 GLU 57 2HG GLU 57 -17.306 14.751 -3.949 418 H ASN 58 H ASN 58 -15.156 13.768 -1.533 419 HA ASN 58 HA ASN 58 -13.856 13.367 -4.147 420 HB2 ASN 58 1HB ASN 58 -13.489 15.651 -2.195 421 HB3 ASN 58 2HB ASN 58 -12.628 15.463 -3.720 422 HD21 ASN 58 1HD2 ASN 58 -15.689 16.160 -2.221 423 HD22 ASN 58 2HD2 ASN 58 -16.446 16.836 -3.619 424 H LEU 59 H LEU 59 -13.762 11.540 -1.905 425 HA LEU 59 HA LEU 59 -11.354 11.824 -0.450 426 HB2 LEU 59 1HB LEU 59 -13.337 10.311 0.051 427 HB3 LEU 59 2HB LEU 59 -12.664 9.212 -1.152 428 HG LEU 59 HG LEU 59 -10.519 9.363 0.337 429 HD11 LEU 59 1HD1 LEU 59 -10.677 10.254 2.376 430 HD12 LEU 59 2HD1 LEU 59 -12.265 9.543 2.661 431 HD13 LEU 59 3HD1 LEU 59 -12.125 11.062 1.776 432 HD21 LEU 59 1HD2 LEU 59 -11.562 7.534 1.814 433 HD22 LEU 59 2HD2 LEU 59 -11.513 7.275 0.070 434 HD23 LEU 59 3HD2 LEU 59 -13.014 7.782 0.846 435 H VAL 60 H VAL 60 -9.337 10.864 -0.738 436 HA VAL 60 HA VAL 60 -8.733 10.131 -3.522 437 HB VAL 60 HB VAL 60 -6.875 11.135 -1.361 438 HG11 VAL 60 1HG1 VAL 60 -5.199 11.267 -3.147 439 HG12 VAL 60 2HG1 VAL 60 -5.738 9.609 -2.878 440 HG13 VAL 60 3HG1 VAL 60 -6.339 10.518 -4.265 441 HG21 VAL 60 1HG2 VAL 60 -6.780 13.187 -2.603 442 HG22 VAL 60 2HG2 VAL 60 -7.795 12.516 -3.880 443 HG23 VAL 60 3HG2 VAL 60 -8.472 12.811 -2.279 444 H GLN 61 H GLN 61 -7.745 8.233 -4.019 445 HA GLN 61 HA GLN 61 -6.870 6.489 -1.835 446 HB2 GLN 61 1HB GLN 61 -9.014 5.905 -3.844 447 HB3 GLN 61 2HB GLN 61 -8.019 4.593 -3.226 448 HG2 GLN 61 1HG GLN 61 -8.667 5.329 -0.915 449 HG3 GLN 61 2HG GLN 61 -9.833 6.413 -1.672 450 HE21 GLN 61 1HE2 GLN 61 -10.912 4.722 -0.015 451 HE22 GLN 61 2HE2 GLN 61 -11.699 3.412 -0.820 452 H TRP 62 H TRP 62 -4.897 5.771 -2.248 453 HA TRP 62 HA TRP 62 -4.167 4.965 -4.947 454 HB2 TRP 62 1HB TRP 62 -2.202 6.330 -5.079 455 HB3 TRP 62 2HB TRP 62 -3.557 7.394 -4.711 456 HD1 TRP 62 HD1 TRP 62 -0.136 6.638 -3.601 457 HE1 TRP 62 HE1 TRP 62 0.354 7.741 -1.327 458 HE3 TRP 62 HE3 TRP 62 -4.908 7.892 -2.262 459 HZ2 TRP 62 HZ2 TRP 62 -1.091 8.979 0.758 460 HZ3 TRP 62 HZ3 TRP 62 -5.268 9.033 -0.112 461 HH2 TRP 62 HH2 TRP 62 -3.398 9.564 1.365 462 H GLU 63 H GLU 63 -2.343 3.577 -5.032 463 HA GLU 63 HA GLU 63 -1.780 2.285 -2.460 464 HB2 GLU 63 1HB GLU 63 -1.355 1.262 -5.273 465 HB3 GLU 63 2HB GLU 63 -1.061 0.353 -3.798 466 HG2 GLU 63 1HG GLU 63 -3.541 0.799 -3.283 467 HG3 GLU 63 2HG GLU 63 -3.665 1.204 -4.994 468 H MET 64 H MET 64 0.423 1.410 -2.144 469 HA MET 64 HA MET 64 2.538 2.836 -3.560 470 HB2 MET 64 1HB MET 64 2.018 3.054 -0.599 471 HB3 MET 64 2HB MET 64 3.590 3.398 -1.306 472 HG2 MET 64 1HG MET 64 2.686 5.196 -2.600 473 HG3 MET 64 2HG MET 64 1.045 4.784 -2.106 474 HE1 MET 64 1HE MET 64 4.523 5.424 -0.817 475 HE2 MET 64 2HE MET 64 4.339 6.530 0.544 476 HE3 MET 64 3HE MET 64 4.020 4.808 0.757 477 H GLU 65 H GLU 65 3.813 1.244 -4.235 478 HA GLU 65 HA GLU 65 4.423 -0.947 -2.360 479 HB2 GLU 65 1HB GLU 65 3.320 -2.073 -4.042 480 HB3 GLU 65 2HB GLU 65 3.853 -0.952 -5.287 481 HG2 GLU 65 1HG GLU 65 6.091 -1.908 -5.206 482 HG3 GLU 65 2HG GLU 65 5.575 -3.021 -3.941 483 H VAL 66 H VAL 66 6.553 -1.763 -2.343 484 HA VAL 66 HA VAL 66 8.547 0.192 -3.247 485 HB VAL 66 HB VAL 66 8.728 -1.976 -1.153 486 HG11 VAL 66 1HG1 VAL 66 10.815 -0.089 -2.218 487 HG12 VAL 66 2HG1 VAL 66 10.956 -0.896 -0.655 488 HG13 VAL 66 3HG1 VAL 66 10.877 -1.849 -2.138 489 HG21 VAL 66 1HG2 VAL 66 9.340 0.490 -0.038 490 HG22 VAL 66 2HG2 VAL 66 7.977 0.822 -1.107 491 HG23 VAL 66 3HG2 VAL 66 7.832 -0.405 0.151 492 H CYS 67 H CYS 67 9.305 -0.308 -5.208 493 HA CYS 67 HA CYS 67 10.181 -3.082 -5.672 494 HB2 CYS 67 1HB CYS 67 8.126 -2.117 -7.008 495 HB3 CYS 67 2HB CYS 67 9.378 -1.327 -7.959 496 HG CYS 67 HG CYS 67 8.288 -3.845 -9.023 497 H LYS 68 H LYS 68 11.849 -3.194 -7.476 498 HA LYS 68 HA LYS 68 13.821 -1.067 -7.016 499 HB2 LYS 68 1HB LYS 68 14.491 -3.365 -6.415 500 HB3 LYS 68 2HB LYS 68 14.219 -3.871 -8.078 501 HG2 LYS 68 1HG LYS 68 16.068 -2.708 -8.867 502 HG3 LYS 68 2HG LYS 68 16.139 -1.665 -7.445 503 HD2 LYS 68 1HD LYS 68 16.492 -4.593 -7.057 504 HD3 LYS 68 2HD LYS 68 17.821 -3.682 -7.780 505 HE2 LYS 68 1HE LYS 68 18.121 -2.376 -5.882 506 HE3 LYS 68 2HE LYS 68 16.499 -2.708 -5.277 507 HZ1 LYS 68 1HZ LYS 68 17.769 -5.152 -5.421 508 HZ2 LYS 68 2HZ LYS 68 17.402 -4.276 -4.022 509 HZ3 LYS 68 3HZ LYS 68 18.914 -4.097 -4.759 510 H LEU 69 H LEU 69 14.298 0.311 -8.592 511 HA LEU 69 HA LEU 69 13.002 0.379 -11.051 512 HB2 LEU 69 1HB LEU 69 15.674 1.603 -10.383 513 HB3 LEU 69 2HB LEU 69 14.592 2.096 -11.685 514 HG LEU 69 HG LEU 69 13.867 2.283 -8.766 515 HD11 LEU 69 1HD1 LEU 69 15.887 3.699 -9.835 516 HD12 LEU 69 2HD1 LEU 69 14.810 4.321 -8.585 517 HD13 LEU 69 3HD1 LEU 69 14.523 4.726 -10.277 518 HD21 LEU 69 1HD2 LEU 69 12.710 3.669 -11.180 519 HD22 LEU 69 2HD2 LEU 69 12.104 3.719 -9.524 520 HD23 LEU 69 3HD2 LEU 69 12.029 2.217 -10.446 521 HA PRO 70 HA PRO 70 15.135 -2.626 -13.475 522 HB2 PRO 70 1HB PRO 70 14.400 -1.738 -15.933 523 HB3 PRO 70 2HB PRO 70 13.294 -2.591 -14.849 524 HG2 PRO 70 1HG PRO 70 13.561 0.348 -15.352 525 HG3 PRO 70 2HG PRO 70 12.091 -0.631 -15.194 526 HD2 PRO 70 1HD PRO 70 13.052 0.891 -13.171 527 HD3 PRO 70 2HD PRO 70 12.190 -0.636 -12.891 528 H ARG 71 H ARG 71 15.322 0.708 -14.745 529 HA ARG 71 HA ARG 71 17.776 0.316 -16.094 530 HB2 ARG 71 1HB ARG 71 16.131 2.683 -15.318 531 HB3 ARG 71 2HB ARG 71 17.792 2.952 -15.831 532 HG2 ARG 71 1HG ARG 71 16.581 3.195 -17.788 533 HG3 ARG 71 2HG ARG 71 17.164 1.532 -17.881 534 HD2 ARG 71 1HD ARG 71 14.954 0.846 -16.850 535 HD3 ARG 71 2HD ARG 71 14.412 2.498 -17.146 536 HE ARG 71 HE ARG 71 14.280 2.031 -19.397 537 HH11 ARG 71 1HH1 ARG 71 15.909 -0.561 -17.739 538 HH12 ARG 71 2HH1 ARG 71 15.868 -1.633 -19.101 539 HH21 ARG 71 1HH2 ARG 71 14.219 0.630 -21.196 540 HH22 ARG 71 2HH2 ARG 71 14.907 -0.954 -21.066 541 H LEU 72 H LEU 72 16.985 1.715 -12.932 542 HA LEU 72 HA LEU 72 19.837 1.916 -12.307 543 HB2 LEU 72 1HB LEU 72 17.490 2.830 -10.657 544 HB3 LEU 72 2HB LEU 72 19.186 3.245 -10.417 545 HG LEU 72 HG LEU 72 17.714 4.040 -12.911 546 HD11 LEU 72 1HD1 LEU 72 16.344 5.121 -11.431 547 HD12 LEU 72 2HD1 LEU 72 17.633 6.313 -11.600 548 HD13 LEU 72 3HD1 LEU 72 17.594 5.250 -10.193 549 HD21 LEU 72 1HD2 LEU 72 19.859 5.648 -11.654 550 HD22 LEU 72 2HD2 LEU 72 19.514 5.346 -13.357 551 HD23 LEU 72 3HD2 LEU 72 20.329 4.116 -12.391 552 H SER 73 H SER 73 20.127 1.508 -9.751 553 HA SER 73 HA SER 73 19.115 -1.219 -9.272 554 HB2 SER 73 1HB SER 73 21.471 -1.352 -9.653 555 HB3 SER 73 2HB SER 73 21.785 0.024 -8.596 556 HG SER 73 HG SER 73 21.085 -2.614 -7.928 557 H LEU 74 H LEU 74 18.025 1.449 -8.449 558 HA LEU 74 HA LEU 74 18.213 1.166 -5.528 559 HB2 LEU 74 1HB LEU 74 17.413 3.476 -7.279 560 HB3 LEU 74 2HB LEU 74 17.132 3.457 -5.539 561 HG LEU 74 HG LEU 74 19.876 3.151 -6.736 562 HD11 LEU 74 1HD1 LEU 74 18.493 5.343 -7.253 563 HD12 LEU 74 2HD1 LEU 74 20.201 5.404 -6.821 564 HD13 LEU 74 3HD1 LEU 74 18.971 5.743 -5.603 565 HD21 LEU 74 1HD2 LEU 74 20.109 2.525 -4.560 566 HD22 LEU 74 2HD2 LEU 74 18.725 3.475 -4.019 567 HD23 LEU 74 3HD2 LEU 74 20.262 4.271 -4.362 568 H ASN 75 H ASN 75 16.028 2.106 -4.512 569 HA ASN 75 HA ASN 75 13.844 0.561 -5.745 570 HB2 ASN 75 1HB ASN 75 14.259 1.192 -2.814 571 HB3 ASN 75 2HB ASN 75 12.953 0.223 -3.491 572 HD21 ASN 75 1HD2 ASN 75 13.395 -1.687 -2.546 573 HD22 ASN 75 2HD2 ASN 75 14.848 -2.587 -2.803 574 H GLY 76 H GLY 76 11.889 1.514 -6.059 575 HA2 GLY 76 1HA GLY 76 11.536 4.260 -5.042 576 HA3 GLY 76 2HA GLY 76 11.270 3.899 -6.741 577 H VAL 77 H VAL 77 9.519 4.807 -4.399 578 HA VAL 77 HA VAL 77 7.580 2.666 -4.187 579 HB VAL 77 HB VAL 77 7.394 5.517 -3.203 580 HG11 VAL 77 1HG1 VAL 77 5.802 4.085 -1.572 581 HG12 VAL 77 2HG1 VAL 77 5.227 4.908 -3.024 582 HG13 VAL 77 3HG1 VAL 77 5.596 3.183 -3.073 583 HG21 VAL 77 1HG2 VAL 77 8.567 4.963 -1.378 584 HG22 VAL 77 2HG2 VAL 77 7.790 3.385 -1.243 585 HG23 VAL 77 3HG2 VAL 77 9.154 3.606 -2.339 586 H ARG 78 H ARG 78 6.138 2.292 -5.725 587 HA ARG 78 HA ARG 78 5.503 4.318 -7.692 588 HB2 ARG 78 1HB ARG 78 4.617 2.613 -8.985 589 HB3 ARG 78 2HB ARG 78 5.850 1.760 -8.066 590 HG2 ARG 78 1HG ARG 78 3.896 1.285 -6.411 591 HG3 ARG 78 2HG ARG 78 2.883 1.652 -7.809 592 HD2 ARG 78 1HD ARG 78 4.371 -0.023 -9.067 593 HD3 ARG 78 2HD ARG 78 4.894 -0.547 -7.466 594 HE ARG 78 HE ARG 78 2.110 -0.537 -7.480 595 HH11 ARG 78 1HH1 ARG 78 4.728 -2.211 -9.050 596 HH12 ARG 78 2HH1 ARG 78 3.829 -3.675 -9.275 597 HH21 ARG 78 1HH2 ARG 78 0.917 -2.458 -7.771 598 HH22 ARG 78 2HH2 ARG 78 1.661 -3.814 -8.548 599 H PHE 79 H PHE 79 3.620 5.413 -7.897 600 HA PHE 79 HA PHE 79 1.612 4.995 -5.785 601 HB2 PHE 79 1HB PHE 79 2.470 7.488 -7.249 602 HB3 PHE 79 2HB PHE 79 0.982 7.411 -6.311 603 HD1 PHE 79 HD2 PHE 79 4.492 6.256 -5.766 604 HD2 PHE 79 HD1 PHE 79 1.175 8.486 -4.302 605 HE1 PHE 79 HE2 PHE 79 5.757 6.792 -3.726 606 HE2 PHE 79 HE1 PHE 79 2.436 9.027 -2.260 607 HZ PHE 79 HZ PHE 79 4.730 8.178 -1.969 608 H LYS 80 H LYS 80 -0.151 4.006 -6.489 609 HA LYS 80 HA LYS 80 -0.952 4.315 -9.292 610 HB2 LYS 80 1HB LYS 80 -0.658 2.040 -7.978 611 HB3 LYS 80 2HB LYS 80 -2.291 2.399 -7.432 612 HG2 LYS 80 1HG LYS 80 -3.200 2.112 -9.509 613 HG3 LYS 80 2HG LYS 80 -1.707 2.545 -10.343 614 HD2 LYS 80 1HD LYS 80 -0.720 0.426 -9.810 615 HD3 LYS 80 2HD LYS 80 -2.078 0.004 -8.763 616 HE2 LYS 80 1HE LYS 80 -3.519 0.279 -10.873 617 HE3 LYS 80 2HE LYS 80 -1.996 0.201 -11.757 618 HZ1 LYS 80 1HZ LYS 80 -1.714 -1.922 -10.231 619 HZ2 LYS 80 2HZ LYS 80 -2.505 -1.989 -11.725 620 HZ3 LYS 80 3HZ LYS 80 -3.404 -1.894 -10.295 621 H ARG 81 H ARG 81 -2.544 5.660 -9.787 622 HA ARG 81 HA ARG 81 -4.162 6.852 -7.721 623 HB2 ARG 81 1HB ARG 81 -3.325 8.215 -9.573 624 HB3 ARG 81 2HB ARG 81 -4.204 7.215 -10.722 625 HG2 ARG 81 1HG ARG 81 -6.316 7.947 -9.787 626 HG3 ARG 81 2HG ARG 81 -5.465 8.897 -8.567 627 HD2 ARG 81 1HD ARG 81 -6.179 10.365 -10.327 628 HD3 ARG 81 2HD ARG 81 -4.424 10.211 -10.396 629 HE ARG 81 HE ARG 81 -5.382 8.306 -12.120 630 HH11 ARG 81 1HH1 ARG 81 -5.671 11.760 -11.800 631 HH12 ARG 81 2HH1 ARG 81 -5.858 12.033 -13.500 632 HH21 ARG 81 1HH2 ARG 81 -5.628 8.652 -14.361 633 HH22 ARG 81 2HH2 ARG 81 -5.834 10.265 -14.956 634 H ILE 82 H ILE 82 -5.759 5.642 -6.906 635 HA ILE 82 HA ILE 82 -7.200 3.727 -8.496 636 HB ILE 82 HB ILE 82 -7.776 4.689 -5.691 637 HG12 ILE 82 1HG1 ILE 82 -5.558 3.715 -5.803 638 HG13 ILE 82 2HG1 ILE 82 -6.644 2.584 -5.004 639 HG21 ILE 82 1HG2 ILE 82 -9.291 2.961 -5.466 640 HG22 ILE 82 2HG2 ILE 82 -9.577 3.483 -7.125 641 HG23 ILE 82 3HG2 ILE 82 -8.606 2.045 -6.808 642 HD11 ILE 82 1HD1 ILE 82 -5.923 1.040 -6.412 643 HD12 ILE 82 2HD1 ILE 82 -6.752 1.911 -7.703 644 HD13 ILE 82 3HD1 ILE 82 -5.052 2.238 -7.368 645 H SER 83 H SER 83 -8.411 6.417 -6.489 646 HA SER 83 HA SER 83 -10.282 7.099 -8.649 647 HB2 SER 83 1HB SER 83 -11.038 6.884 -5.725 648 HB3 SER 83 2HB SER 83 -12.105 7.362 -7.044 649 HG SER 83 HG SER 83 -11.597 5.227 -7.954 650 H GLY 84 H GLY 84 -11.433 9.252 -8.069 651 HA2 GLY 84 1HA GLY 84 -11.326 11.448 -7.274 652 HA3 GLY 84 2HA GLY 84 -9.805 11.063 -6.483 653 H THR 85 H THR 85 -10.728 13.276 -8.340 654 HA THR 85 HA THR 85 -9.512 13.080 -10.835 655 HB THR 85 HB THR 85 -10.974 14.933 -10.360 656 HG1 THR 85 HG1 THR 85 -9.372 15.387 -11.897 657 HG21 THR 85 1HG2 THR 85 -10.082 15.059 -7.911 658 HG22 THR 85 2HG2 THR 85 -10.670 16.522 -8.702 659 HG23 THR 85 3HG2 THR 85 -8.937 16.217 -8.585 660 H SER 86 H SER 86 -7.629 14.799 -11.340 661 HA SER 86 HA SER 86 -5.300 13.695 -10.026 662 HB2 SER 86 1HB SER 86 -5.484 14.067 -12.528 663 HB3 SER 86 2HB SER 86 -5.350 15.794 -12.200 664 HG SER 86 HG SER 86 -3.375 14.903 -10.913 665 H ILE 87 H ILE 87 -7.228 16.511 -9.800 666 HA ILE 87 HA ILE 87 -5.293 18.347 -8.860 667 HB ILE 87 HB ILE 87 -8.279 18.228 -8.455 668 HG12 ILE 87 1HG1 ILE 87 -6.558 20.030 -10.172 669 HG13 ILE 87 2HG1 ILE 87 -7.445 18.629 -10.761 670 HG21 ILE 87 1HG2 ILE 87 -7.951 20.683 -7.809 671 HG22 ILE 87 2HG2 ILE 87 -7.559 19.459 -6.603 672 HG23 ILE 87 3HG2 ILE 87 -6.269 20.245 -7.512 673 HD11 ILE 87 1HD1 ILE 87 -9.466 19.927 -9.634 674 HD12 ILE 87 2HD1 ILE 87 -8.421 21.305 -9.981 675 HD13 ILE 87 3HD1 ILE 87 -8.938 20.240 -11.287 676 H ALA 88 H ALA 88 -7.803 16.598 -7.019 677 HA ALA 88 HA ALA 88 -6.589 17.176 -4.505 678 HB1 ALA 88 1HB ALA 88 -8.979 16.831 -4.665 679 HB2 ALA 88 2HB ALA 88 -8.729 15.179 -5.231 680 HB3 ALA 88 3HB ALA 88 -8.270 15.627 -3.588 681 H PHE 89 H PHE 89 -6.378 14.547 -6.793 682 HA PHE 89 HA PHE 89 -5.282 12.576 -5.128 683 HB2 PHE 89 1HB PHE 89 -5.994 11.820 -7.227 684 HB3 PHE 89 2HB PHE 89 -5.143 13.101 -8.082 685 HD1 PHE 89 HD1 PHE 89 -4.263 10.348 -5.715 686 HD2 PHE 89 HD2 PHE 89 -3.356 12.409 -9.327 687 HE1 PHE 89 HE1 PHE 89 -2.373 8.823 -6.107 688 HE2 PHE 89 HE2 PHE 89 -1.465 10.887 -9.725 689 HZ PHE 89 HZ PHE 89 -0.971 9.090 -8.114 690 H LYS 90 H LYS 90 -3.742 15.132 -7.032 691 HA LYS 90 HA LYS 90 -1.079 14.357 -6.354 692 HB2 LYS 90 1HB LYS 90 -1.695 15.667 -8.391 693 HB3 LYS 90 2HB LYS 90 -2.053 17.039 -7.351 694 HG2 LYS 90 1HG LYS 90 0.418 16.587 -6.521 695 HG3 LYS 90 2HG LYS 90 0.559 15.873 -8.129 696 HD2 LYS 90 1HD LYS 90 -0.446 18.661 -7.561 697 HD3 LYS 90 2HD LYS 90 1.199 18.265 -8.065 698 HE2 LYS 90 1HE LYS 90 0.092 17.110 -10.071 699 HE3 LYS 90 2HE LYS 90 -1.360 17.998 -9.612 700 HZ1 LYS 90 1HZ LYS 90 0.778 18.912 -11.127 701 HZ2 LYS 90 2HZ LYS 90 0.845 19.752 -9.661 702 HZ3 LYS 90 3HZ LYS 90 -0.563 19.797 -10.596 703 H ASN 91 H ASN 91 -3.362 16.758 -5.122 704 HA ASN 91 HA ASN 91 -1.913 18.312 -3.476 705 HB2 ASN 91 1HB ASN 91 -4.562 16.972 -2.962 706 HB3 ASN 91 2HB ASN 91 -3.868 18.117 -1.818 707 HD21 ASN 91 1HD2 ASN 91 -6.226 18.775 -2.768 708 HD22 ASN 91 2HD2 ASN 91 -6.121 20.031 -3.950 709 H ILE 92 H ILE 92 -3.155 15.121 -2.472 710 HA ILE 92 HA ILE 92 -1.565 15.102 -0.087 711 HB ILE 92 HB ILE 92 -3.717 13.931 -0.178 712 HG12 ILE 92 1HG1 ILE 92 -2.857 11.675 0.685 713 HG13 ILE 92 2HG1 ILE 92 -1.244 12.282 0.326 714 HG21 ILE 92 1HG2 ILE 92 -3.873 11.781 -1.409 715 HG22 ILE 92 2HG2 ILE 92 -3.731 13.188 -2.461 716 HG23 ILE 92 3HG2 ILE 92 -2.330 12.155 -2.178 717 HD11 ILE 92 1HD1 ILE 92 -1.970 12.540 2.696 718 HD12 ILE 92 2HD1 ILE 92 -1.475 14.039 1.909 719 HD13 ILE 92 3HD1 ILE 92 -3.187 13.687 2.137 720 H ALA 93 H ALA 93 -1.232 13.866 -3.337 721 HA ALA 93 HA ALA 93 0.737 11.943 -2.991 722 HB1 ALA 93 1HB ALA 93 1.217 12.171 -5.292 723 HB2 ALA 93 2HB ALA 93 -0.499 12.536 -5.115 724 HB3 ALA 93 3HB ALA 93 0.664 13.846 -5.319 725 H SER 94 H SER 94 0.972 15.427 -2.936 726 HA SER 94 HA SER 94 3.852 15.458 -3.075 727 HB2 SER 94 1HB SER 94 2.275 17.318 -3.870 728 HB3 SER 94 2HB SER 94 2.102 17.742 -2.167 729 HG SER 94 HG SER 94 4.494 17.822 -2.187 730 H LYS 95 H LYS 95 1.490 15.058 -0.638 731 HA LYS 95 HA LYS 95 3.158 15.974 1.537 732 HB2 LYS 95 1HB LYS 95 0.605 14.365 1.682 733 HB3 LYS 95 2HB LYS 95 1.349 15.289 2.981 734 HG2 LYS 95 1HG LYS 95 0.550 16.694 0.479 735 HG3 LYS 95 2HG LYS 95 -0.688 16.244 1.653 736 HD2 LYS 95 1HD LYS 95 0.380 17.518 3.372 737 HD3 LYS 95 2HD LYS 95 1.794 17.804 2.355 738 HE2 LYS 95 1HE LYS 95 0.417 19.107 0.810 739 HE3 LYS 95 2HE LYS 95 -0.999 18.812 1.818 740 HZ1 LYS 95 1HZ LYS 95 -0.356 20.838 2.593 741 HZ2 LYS 95 2HZ LYS 95 1.288 20.575 2.297 742 HZ3 LYS 95 3HZ LYS 95 0.546 19.859 3.638 743 H ILE 96 H ILE 96 2.331 12.947 -0.012 744 HA ILE 96 HA ILE 96 3.529 11.307 2.024 745 HB ILE 96 HB ILE 96 2.831 10.509 -0.801 746 HG12 ILE 96 1HG1 ILE 96 0.904 11.532 0.412 747 HG13 ILE 96 2HG1 ILE 96 0.661 9.834 0.020 748 HG21 ILE 96 1HG2 ILE 96 4.264 9.109 0.984 749 HG22 ILE 96 2HG2 ILE 96 2.639 8.624 1.462 750 HG23 ILE 96 3HG2 ILE 96 3.186 8.360 -0.193 751 HD11 ILE 96 1HD1 ILE 96 1.856 10.072 2.609 752 HD12 ILE 96 2HD1 ILE 96 0.406 11.073 2.511 753 HD13 ILE 96 3HD1 ILE 96 0.316 9.350 2.146 754 H ALA 97 H ALA 97 4.406 12.239 -1.297 755 HA ALA 97 HA ALA 97 6.851 10.895 -1.427 756 HB1 ALA 97 1HB ALA 97 6.287 13.523 -2.779 757 HB2 ALA 97 2HB ALA 97 7.343 12.219 -3.324 758 HB3 ALA 97 3HB ALA 97 5.594 11.994 -3.322 759 H ASN 98 H ASN 98 5.983 13.932 0.061 760 HA ASN 98 HA ASN 98 8.707 14.788 0.443 761 HB2 ASN 98 1HB ASN 98 6.010 15.835 1.148 762 HB3 ASN 98 2HB ASN 98 7.374 16.387 2.115 763 HD21 ASN 98 1HD2 ASN 98 6.842 18.483 1.238 764 HD22 ASN 98 2HD2 ASN 98 7.442 18.929 -0.319 765 H GLU 99 H GLU 99 6.171 14.315 2.894 766 HA GLU 99 HA GLU 99 7.594 14.092 5.142 767 HB2 GLU 99 1HB GLU 99 5.199 12.577 4.202 768 HB3 GLU 99 2HB GLU 99 5.945 12.109 5.724 769 HG2 GLU 99 1HG GLU 99 4.329 13.601 6.399 770 HG3 GLU 99 2HG GLU 99 5.768 14.615 6.315 771 H LEU 100 H LEU 100 7.087 11.354 2.922 772 HA LEU 100 HA LEU 100 8.354 9.317 4.132 773 HB2 LEU 100 1HB LEU 100 8.281 10.210 1.300 774 HB3 LEU 100 2HB LEU 100 9.384 8.902 1.723 775 HG LEU 100 HG LEU 100 6.388 8.903 2.086 776 HD11 LEU 100 1HD1 LEU 100 6.547 8.445 -0.122 777 HD12 LEU 100 2HD1 LEU 100 6.911 6.829 0.481 778 HD13 LEU 100 3HD1 LEU 100 8.222 7.905 -0.005 779 HD21 LEU 100 1HD2 LEU 100 8.484 7.315 3.299 780 HD22 LEU 100 2HD2 LEU 100 7.360 6.323 2.370 781 HD23 LEU 100 3HD2 LEU 100 6.758 7.369 3.657 782 H LYS 101 H LYS 101 9.997 9.864 5.531 783 HA LYS 101 HA LYS 101 12.272 11.393 4.731 784 HB2 LYS 101 1HB LYS 101 11.481 9.842 7.155 785 HB3 LYS 101 2HB LYS 101 13.180 10.245 6.943 786 HG2 LYS 101 1HG LYS 101 12.582 12.620 6.779 787 HG3 LYS 101 2HG LYS 101 10.888 12.198 7.040 788 HD2 LYS 101 1HD LYS 101 11.618 11.128 9.209 789 HD3 LYS 101 2HD LYS 101 13.193 11.884 8.954 790 HE2 LYS 101 1HE LYS 101 12.283 14.056 9.102 791 HE3 LYS 101 2HE LYS 101 10.632 13.458 8.945 792 HZ1 LYS 101 1HZ LYS 101 11.512 12.172 11.143 793 HZ2 LYS 101 2HZ LYS 101 10.609 13.602 11.160 794 HZ3 LYS 101 3HZ LYS 101 12.294 13.666 11.288 795 H LEU 102 H LEU 102 12.851 10.206 2.795 796 HA LEU 102 HA LEU 102 14.604 7.937 3.424 797 HB2 LEU 102 1HB LEU 102 12.973 8.029 0.906 798 HB3 LEU 102 2HB LEU 102 13.876 6.673 1.579 799 HG LEU 102 HG LEU 102 11.470 7.813 2.971 800 HD11 LEU 102 1HD1 LEU 102 10.419 5.663 1.857 801 HD12 LEU 102 2HD1 LEU 102 11.600 6.030 0.600 802 HD13 LEU 102 3HD1 LEU 102 10.390 7.231 1.051 803 HD21 LEU 102 1HD2 LEU 102 13.372 5.799 3.558 804 HD22 LEU 102 2HD2 LEU 102 11.832 5.003 3.234 805 HD23 LEU 102 3HD2 LEU 102 11.936 6.253 4.476 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 23.369 5.726 -30.178 2 HA2 GLY 1 1HA GLY 1 22.053 3.311 -29.247 3 HA3 GLY 1 2HA GLY 1 22.931 4.471 -28.260 4 H SER 2 H SER 2 20.528 3.394 -27.423 5 HA SER 2 HA SER 2 18.765 5.751 -27.555 6 HB2 SER 2 1HB SER 2 17.983 3.589 -28.783 7 HB3 SER 2 2HB SER 2 17.660 2.984 -27.158 8 HG SER 2 HG SER 2 15.883 4.107 -28.274 9 H SER 3 H SER 3 18.237 6.607 -25.650 10 HA SER 3 HA SER 3 18.841 5.046 -23.224 11 HB2 SER 3 1HB SER 3 18.805 8.059 -23.520 12 HB3 SER 3 2HB SER 3 19.299 7.148 -22.093 13 HG SER 3 HG SER 3 20.934 6.191 -23.538 14 H GLY 4 H GLY 4 16.526 7.155 -24.810 15 HA2 GLY 4 1HA GLY 4 14.615 6.602 -22.626 16 HA3 GLY 4 2HA GLY 4 14.575 8.051 -23.620 17 H SER 5 H SER 5 13.439 4.882 -23.235 18 HA SER 5 HA SER 5 11.995 5.089 -25.781 19 HB2 SER 5 1HB SER 5 13.826 3.529 -26.186 20 HB3 SER 5 2HB SER 5 13.379 2.598 -24.757 21 HG SER 5 HG SER 5 11.381 2.141 -25.790 22 H SER 6 H SER 6 10.003 3.887 -25.846 23 HA SER 6 HA SER 6 8.587 4.012 -23.369 24 HB2 SER 6 1HB SER 6 6.656 3.208 -24.702 25 HB3 SER 6 2HB SER 6 7.467 4.579 -25.460 26 HG SER 6 HG SER 6 7.828 1.844 -26.135 27 H GLY 7 H GLY 7 7.519 2.297 -22.282 28 HA2 GLY 7 1HA GLY 7 7.521 -0.381 -22.827 29 HA3 GLY 7 2HA GLY 7 9.104 -0.094 -22.120 30 H ARG 8 H ARG 8 8.920 1.362 -20.045 31 HA ARG 8 HA ARG 8 6.615 0.493 -18.446 32 HB2 ARG 8 1HB ARG 8 9.512 -0.019 -17.929 33 HB3 ARG 8 2HB ARG 8 8.453 0.282 -16.557 34 HG2 ARG 8 1HG ARG 8 6.969 -1.554 -17.496 35 HG3 ARG 8 2HG ARG 8 8.325 -1.952 -18.554 36 HD2 ARG 8 1HD ARG 8 8.430 -1.854 -15.541 37 HD3 ARG 8 2HD ARG 8 8.286 -3.322 -16.507 38 HE ARG 8 HE ARG 8 10.666 -1.805 -16.018 39 HH11 ARG 8 1HH1 ARG 8 9.074 -3.946 -18.255 40 HH12 ARG 8 2HH1 ARG 8 10.550 -4.531 -18.948 41 HH21 ARG 8 1HH2 ARG 8 12.616 -2.567 -16.923 42 HH22 ARG 8 2HH2 ARG 8 12.565 -3.746 -18.189 43 H PHE 9 H PHE 9 5.857 2.652 -18.678 44 HA PHE 9 HA PHE 9 7.426 4.672 -17.223 45 HB2 PHE 9 1HB PHE 9 5.561 4.815 -19.537 46 HB3 PHE 9 2HB PHE 9 5.558 6.171 -18.414 47 HD1 PHE 9 HD1 PHE 9 7.550 7.554 -18.129 48 HD2 PHE 9 HD2 PHE 9 7.425 4.392 -20.975 49 HE1 PHE 9 HE1 PHE 9 9.539 8.482 -19.242 50 HE2 PHE 9 HE2 PHE 9 9.414 5.314 -22.092 51 HZ PHE 9 HZ PHE 9 10.474 7.361 -21.225 52 H THR 10 H THR 10 6.792 4.287 -15.136 53 HA THR 10 HA THR 10 4.197 3.694 -14.272 54 HB THR 10 HB THR 10 4.928 4.269 -12.041 55 HG1 THR 10 HG1 THR 10 7.134 5.223 -11.892 56 HG21 THR 10 1HG2 THR 10 6.755 2.779 -13.841 57 HG22 THR 10 2HG2 THR 10 5.869 2.229 -12.419 58 HG23 THR 10 3HG2 THR 10 7.353 3.162 -12.227 59 H TRP 11 H TRP 11 3.312 5.365 -12.421 60 HA TRP 11 HA TRP 11 2.165 7.493 -13.942 61 HB2 TRP 11 1HB TRP 11 1.934 7.387 -10.964 62 HB3 TRP 11 2HB TRP 11 0.713 7.790 -12.168 63 HD1 TRP 11 HD1 TRP 11 -0.807 5.851 -13.050 64 HE1 TRP 11 HE1 TRP 11 -1.061 3.366 -12.431 65 HE3 TRP 11 HE3 TRP 11 3.373 5.304 -10.158 66 HZ2 TRP 11 HZ2 TRP 11 0.327 1.430 -10.916 67 HZ3 TRP 11 HZ3 TRP 11 3.837 3.103 -9.160 68 HH2 TRP 11 HH2 TRP 11 2.344 1.207 -9.532 69 H SER 12 H SER 12 4.326 7.398 -11.113 70 HA SER 12 HA SER 12 5.878 9.589 -11.971 71 HB2 SER 12 1HB SER 12 3.690 10.733 -11.316 72 HB3 SER 12 2HB SER 12 4.076 10.292 -9.653 73 HG SER 12 HG SER 12 5.920 11.540 -9.770 74 H MET 13 H MET 13 7.797 9.392 -11.019 75 HA MET 13 HA MET 13 7.923 8.188 -8.337 76 HB2 MET 13 1HB MET 13 8.596 6.735 -10.446 77 HB3 MET 13 2HB MET 13 10.100 7.635 -10.304 78 HG2 MET 13 1HG MET 13 8.841 5.948 -8.153 79 HG3 MET 13 2HG MET 13 10.223 5.501 -9.150 80 HE1 MET 13 1HE MET 13 10.163 6.992 -5.209 81 HE2 MET 13 2HE MET 13 9.495 8.416 -6.006 82 HE3 MET 13 3HE MET 13 8.779 6.830 -6.290 83 H LYS 14 H LYS 14 8.425 9.968 -7.172 84 HA LYS 14 HA LYS 14 10.901 11.381 -7.912 85 HB2 LYS 14 1HB LYS 14 8.246 12.472 -7.101 86 HB3 LYS 14 2HB LYS 14 9.689 13.318 -6.558 87 HG2 LYS 14 1HG LYS 14 10.428 13.491 -8.908 88 HG3 LYS 14 2HG LYS 14 8.913 12.736 -9.409 89 HD2 LYS 14 1HD LYS 14 8.355 14.947 -9.628 90 HD3 LYS 14 2HD LYS 14 7.864 14.670 -7.955 91 HE2 LYS 14 1HE LYS 14 9.102 16.724 -8.063 92 HE3 LYS 14 2HE LYS 14 10.079 15.521 -7.222 93 HZ1 LYS 14 1HZ LYS 14 10.699 15.328 -9.921 94 HZ2 LYS 14 2HZ LYS 14 11.682 15.916 -8.676 95 HZ3 LYS 14 3HZ LYS 14 10.700 16.979 -9.552 96 H THR 15 H THR 15 11.284 9.299 -6.379 97 HA THR 15 HA THR 15 12.208 10.403 -3.914 98 HB THR 15 HB THR 15 9.958 8.387 -3.778 99 HG1 THR 15 HG1 THR 15 8.865 10.196 -3.621 100 HG21 THR 15 1HG2 THR 15 10.552 7.846 -1.680 101 HG22 THR 15 2HG2 THR 15 10.980 9.508 -1.276 102 HG23 THR 15 3HG2 THR 15 12.138 8.478 -2.117 103 H THR 16 H THR 16 13.909 9.265 -3.150 104 HA THR 16 HA THR 16 14.277 6.493 -4.019 105 HB THR 16 HB THR 16 16.772 7.147 -4.393 106 HG1 THR 16 HG1 THR 16 17.167 9.220 -4.489 107 HG21 THR 16 1HG2 THR 16 14.698 6.629 -6.074 108 HG22 THR 16 2HG2 THR 16 16.364 6.882 -6.595 109 HG23 THR 16 3HG2 THR 16 15.212 8.217 -6.644 110 H SER 17 H SER 17 15.029 5.226 -2.439 111 HA SER 17 HA SER 17 16.358 6.498 -0.139 112 HB2 SER 17 1HB SER 17 13.965 5.856 0.327 113 HB3 SER 17 2HB SER 17 14.431 4.176 0.061 114 HG SER 17 HG SER 17 16.108 4.683 1.738 115 H SER 18 H SER 18 18.325 5.723 0.188 116 HA SER 18 HA SER 18 19.218 3.343 -1.169 117 HB2 SER 18 1HB SER 18 21.424 3.903 -0.161 118 HB3 SER 18 2HB SER 18 20.716 5.253 -1.047 119 HG SER 18 HG SER 18 20.266 4.986 1.716 120 H MET 19 H MET 19 17.346 2.353 0.343 121 HA MET 19 HA MET 19 18.805 0.896 2.419 122 HB2 MET 19 1HB MET 19 16.174 2.321 2.814 123 HB3 MET 19 2HB MET 19 16.742 1.047 3.885 124 HG2 MET 19 1HG MET 19 18.877 2.537 4.050 125 HG3 MET 19 2HG MET 19 17.787 3.808 3.502 126 HE1 MET 19 1HE MET 19 14.968 3.409 6.324 127 HE2 MET 19 2HE MET 19 15.401 4.342 4.891 128 HE3 MET 19 3HE MET 19 15.092 2.610 4.756 129 H ASP 20 H ASP 20 17.234 -0.916 3.292 130 HA ASP 20 HA ASP 20 16.579 -2.526 1.020 131 HB2 ASP 20 1HB ASP 20 16.471 -2.918 3.993 132 HB3 ASP 20 2HB ASP 20 15.694 -4.080 2.921 133 HA PRO 21 HA PRO 21 12.305 -1.659 0.535 134 HB2 PRO 21 1HB PRO 21 11.372 -4.081 -0.261 135 HB3 PRO 21 2HB PRO 21 12.358 -3.044 -1.298 136 HG2 PRO 21 1HG PRO 21 13.179 -5.406 0.347 137 HG3 PRO 21 2HG PRO 21 13.655 -4.974 -1.305 138 HD2 PRO 21 1HD PRO 21 15.241 -4.503 0.838 139 HD3 PRO 21 2HD PRO 21 15.223 -3.446 -0.588 140 H SER 22 H SER 22 13.103 -4.558 2.409 141 HA SER 22 HA SER 22 10.608 -4.994 3.584 142 HB2 SER 22 1HB SER 22 11.783 -6.309 5.247 143 HB3 SER 22 2HB SER 22 12.538 -6.575 3.676 144 HG SER 22 HG SER 22 13.623 -5.598 5.937 145 H ASP 23 H ASP 23 13.224 -2.820 4.472 146 HA ASP 23 HA ASP 23 12.040 -2.037 6.965 147 HB2 ASP 23 1HB ASP 23 14.541 -1.935 6.213 148 HB3 ASP 23 2HB ASP 23 14.081 -0.383 5.518 149 H MET 24 H MET 24 12.054 -0.817 3.672 150 HA MET 24 HA MET 24 11.081 1.736 4.015 151 HB2 MET 24 1HB MET 24 10.706 -0.311 1.861 152 HB3 MET 24 2HB MET 24 9.834 1.213 1.774 153 HG2 MET 24 1HG MET 24 12.767 1.280 2.242 154 HG3 MET 24 2HG MET 24 12.173 0.899 0.628 155 HE1 MET 24 1HE MET 24 11.442 3.429 -1.111 156 HE2 MET 24 2HE MET 24 10.492 2.068 -0.513 157 HE3 MET 24 3HE MET 24 9.926 3.720 -0.257 158 H MET 25 H MET 25 9.107 -1.191 3.488 159 HA MET 25 HA MET 25 6.594 -0.263 3.632 160 HB2 MET 25 1HB MET 25 7.693 -2.674 5.082 161 HB3 MET 25 2HB MET 25 5.976 -2.356 4.870 162 HG2 MET 25 1HG MET 25 7.940 -2.686 2.615 163 HG3 MET 25 2HG MET 25 6.907 -3.968 3.245 164 HE1 MET 25 1HE MET 25 3.580 -3.476 1.705 165 HE2 MET 25 2HE MET 25 4.788 -4.534 2.433 166 HE3 MET 25 3HE MET 25 3.993 -3.299 3.410 167 H ARG 26 H ARG 26 8.623 -0.887 6.488 168 HA ARG 26 HA ARG 26 6.824 -0.189 8.468 169 HB2 ARG 26 1HB ARG 26 9.243 -1.106 8.640 170 HB3 ARG 26 2HB ARG 26 9.721 0.586 8.651 171 HG2 ARG 26 1HG ARG 26 8.071 0.848 10.588 172 HG3 ARG 26 2HG ARG 26 8.098 -0.914 10.671 173 HD2 ARG 26 1HD ARG 26 10.597 -0.771 10.838 174 HD3 ARG 26 2HD ARG 26 10.420 0.976 10.993 175 HE ARG 26 HE ARG 26 9.764 0.677 13.162 176 HH11 ARG 26 1HH1 ARG 26 9.510 -2.357 11.474 177 HH12 ARG 26 2HH1 ARG 26 9.151 -3.271 12.901 178 HH21 ARG 26 1HH2 ARG 26 9.293 -0.515 15.049 179 HH22 ARG 26 2HH2 ARG 26 9.027 -2.222 14.934 180 H GLU 27 H GLU 27 9.171 1.938 6.835 181 HA GLU 27 HA GLU 27 8.452 4.308 8.126 182 HB2 GLU 27 1HB GLU 27 10.427 3.758 6.500 183 HB3 GLU 27 2HB GLU 27 9.315 4.312 5.257 184 HG2 GLU 27 1HG GLU 27 10.519 6.213 5.766 185 HG3 GLU 27 2HG GLU 27 9.053 6.407 6.725 186 H ILE 28 H ILE 28 7.166 2.798 5.202 187 HA ILE 28 HA ILE 28 5.515 4.857 4.320 188 HB ILE 28 HB ILE 28 5.141 1.870 4.123 189 HG12 ILE 28 1HG1 ILE 28 6.034 3.892 2.059 190 HG13 ILE 28 2HG1 ILE 28 7.131 2.891 3.003 191 HG21 ILE 28 1HG2 ILE 28 2.971 2.850 3.892 192 HG22 ILE 28 2HG2 ILE 28 3.592 4.092 2.806 193 HG23 ILE 28 3HG2 ILE 28 3.544 2.408 2.284 194 HD11 ILE 28 1HD1 ILE 28 5.314 2.140 0.777 195 HD12 ILE 28 2HD1 ILE 28 6.988 1.676 1.080 196 HD13 ILE 28 3HD1 ILE 28 5.686 0.940 2.015 197 H ARG 29 H ARG 29 5.059 2.527 6.893 198 HA ARG 29 HA ARG 29 2.289 3.294 7.296 199 HB2 ARG 29 1HB ARG 29 4.131 1.339 8.658 200 HB3 ARG 29 2HB ARG 29 2.544 1.727 9.311 201 HG2 ARG 29 1HG ARG 29 1.453 0.865 7.377 202 HG3 ARG 29 2HG ARG 29 2.989 0.686 6.525 203 HD2 ARG 29 1HD ARG 29 2.566 -1.473 7.237 204 HD3 ARG 29 2HD ARG 29 3.620 -0.858 8.510 205 HE ARG 29 HE ARG 29 0.816 -1.535 8.738 206 HH11 ARG 29 1HH1 ARG 29 3.537 0.126 10.136 207 HH12 ARG 29 2HH1 ARG 29 2.874 0.137 11.737 208 HH21 ARG 29 1HH2 ARG 29 -0.067 -1.527 10.840 209 HH22 ARG 29 2HH2 ARG 29 0.824 -0.805 12.136 210 H LYS 30 H LYS 30 5.418 3.709 8.879 211 HA LYS 30 HA LYS 30 4.498 4.981 11.210 212 HB2 LYS 30 1HB LYS 30 6.707 5.341 11.707 213 HB3 LYS 30 2HB LYS 30 6.879 4.075 10.499 214 HG2 LYS 30 1HG LYS 30 8.416 5.541 9.708 215 HG3 LYS 30 2HG LYS 30 6.991 6.157 8.867 216 HD2 LYS 30 1HD LYS 30 8.003 8.066 9.771 217 HD3 LYS 30 2HD LYS 30 6.692 7.696 10.893 218 HE2 LYS 30 1HE LYS 30 8.588 8.190 12.220 219 HE3 LYS 30 2HE LYS 30 8.388 6.439 12.272 220 HZ1 LYS 30 1HZ LYS 30 10.389 8.000 10.750 221 HZ2 LYS 30 2HZ LYS 30 10.064 6.377 10.406 222 HZ3 LYS 30 3HZ LYS 30 10.662 6.815 11.926 223 H VAL 31 H VAL 31 5.001 6.138 7.971 224 HA VAL 31 HA VAL 31 4.831 8.930 8.745 225 HB VAL 31 HB VAL 31 5.084 7.552 6.079 226 HG11 VAL 31 1HG1 VAL 31 3.613 9.464 5.770 227 HG12 VAL 31 2HG1 VAL 31 4.771 10.508 6.598 228 HG13 VAL 31 3HG1 VAL 31 5.192 9.776 5.049 229 HG21 VAL 31 1HG2 VAL 31 7.228 7.658 6.735 230 HG22 VAL 31 2HG2 VAL 31 7.108 9.363 6.298 231 HG23 VAL 31 3HG2 VAL 31 6.891 8.866 7.976 232 H LEU 32 H LEU 32 2.919 6.693 6.731 233 HA LEU 32 HA LEU 32 0.794 8.320 6.116 234 HB2 LEU 32 1HB LEU 32 1.028 5.382 6.599 235 HB3 LEU 32 2HB LEU 32 -0.557 6.094 6.304 236 HG LEU 32 HG LEU 32 1.747 6.429 4.397 237 HD11 LEU 32 1HD1 LEU 32 1.572 4.287 3.848 238 HD12 LEU 32 2HD1 LEU 32 -0.077 4.614 3.317 239 HD13 LEU 32 3HD1 LEU 32 0.225 4.052 4.961 240 HD21 LEU 32 1HD2 LEU 32 -0.673 7.704 4.555 241 HD22 LEU 32 2HD2 LEU 32 -1.004 6.396 3.418 242 HD23 LEU 32 3HD2 LEU 32 0.304 7.536 3.096 243 H GLY 33 H GLY 33 0.860 6.043 8.871 244 HA2 GLY 33 1HA GLY 33 -1.483 6.732 10.104 245 HA3 GLY 33 2HA GLY 33 -0.044 6.234 10.981 246 H ALA 34 H ALA 34 1.418 8.632 9.923 247 HA ALA 34 HA ALA 34 0.756 10.389 12.088 248 HB1 ALA 34 1HB ALA 34 3.047 9.866 10.739 249 HB2 ALA 34 2HB ALA 34 2.572 11.403 10.014 250 HB3 ALA 34 3HB ALA 34 2.792 11.282 11.760 251 H ASN 35 H ASN 35 0.200 10.338 8.627 252 HA ASN 35 HA ASN 35 -0.899 13.032 8.647 253 HB2 ASN 35 1HB ASN 35 -0.663 11.024 6.394 254 HB3 ASN 35 2HB ASN 35 -1.183 12.698 6.222 255 HD21 ASN 35 1HD2 ASN 35 1.339 10.708 5.793 256 HD22 ASN 35 2HD2 ASN 35 2.646 11.827 5.950 257 H ASN 36 H ASN 36 -2.201 10.950 10.207 258 HA ASN 36 HA ASN 36 -4.230 9.907 10.504 259 HB2 ASN 36 1HB ASN 36 -5.111 12.558 9.337 260 HB3 ASN 36 2HB ASN 36 -6.113 11.481 10.305 261 HD21 ASN 36 1HD2 ASN 36 -3.889 14.018 10.334 262 HD22 ASN 36 2HD2 ASN 36 -3.645 14.112 12.042 263 H CYS 37 H CYS 37 -3.217 8.793 8.305 264 HA CYS 37 HA CYS 37 -5.425 8.802 6.355 265 HB2 CYS 37 1HB CYS 37 -2.480 8.268 6.006 266 HB3 CYS 37 2HB CYS 37 -3.665 7.764 4.808 267 HG CYS 37 HG CYS 37 -2.628 10.891 5.599 268 H ASP 38 H ASP 38 -6.280 6.853 5.664 269 HA ASP 38 HA ASP 38 -5.805 4.609 7.471 270 HB2 ASP 38 1HB ASP 38 -8.027 5.393 5.623 271 HB3 ASP 38 2HB ASP 38 -7.858 3.706 6.102 272 H TYR 39 H TYR 39 -4.647 2.895 6.903 273 HA TYR 39 HA TYR 39 -4.254 2.349 4.035 274 HB2 TYR 39 1HB TYR 39 -1.956 1.482 4.744 275 HB3 TYR 39 2HB TYR 39 -2.176 3.228 4.732 276 HD1 TYR 39 HD1 TYR 39 -2.662 4.387 6.948 277 HD2 TYR 39 HD2 TYR 39 -1.267 0.375 6.694 278 HE1 TYR 39 HE1 TYR 39 -1.930 4.500 9.293 279 HE2 TYR 39 HE2 TYR 39 -0.531 0.477 9.039 280 HH TYR 39 HH TYR 39 -0.552 1.673 10.925 281 H GLU 40 H GLU 40 -3.800 0.123 3.500 282 HA GLU 40 HA GLU 40 -4.363 -1.872 5.542 283 HB2 GLU 40 1HB GLU 40 -6.167 -1.244 3.243 284 HB3 GLU 40 2HB GLU 40 -6.009 -2.914 3.767 285 HG2 GLU 40 1HG GLU 40 -7.798 -2.262 5.013 286 HG3 GLU 40 2HG GLU 40 -6.487 -1.889 6.131 287 H GLN 41 H GLN 41 -4.022 -4.095 4.735 288 HA GLN 41 HA GLN 41 -1.629 -4.226 3.188 289 HB2 GLN 41 1HB GLN 41 -2.550 -5.770 5.133 290 HB3 GLN 41 2HB GLN 41 -3.230 -6.672 3.785 291 HG2 GLN 41 1HG GLN 41 -0.346 -5.928 3.740 292 HG3 GLN 41 2HG GLN 41 -0.883 -7.276 4.740 293 HE21 GLN 41 1HE2 GLN 41 0.709 -6.945 2.150 294 HE22 GLN 41 2HE2 GLN 41 0.009 -8.119 1.094 295 H ARG 42 H ARG 42 -1.364 -4.592 1.078 296 HA ARG 42 HA ARG 42 -3.730 -5.386 -0.490 297 HB2 ARG 42 1HB ARG 42 -1.465 -3.533 -1.243 298 HB3 ARG 42 2HB ARG 42 -2.680 -4.112 -2.375 299 HG2 ARG 42 1HG ARG 42 -3.439 -2.649 0.128 300 HG3 ARG 42 2HG ARG 42 -3.003 -1.798 -1.355 301 HD2 ARG 42 1HD ARG 42 -5.208 -3.837 -1.066 302 HD3 ARG 42 2HD ARG 42 -5.425 -2.089 -1.160 303 HE ARG 42 HE ARG 42 -4.006 -3.213 -3.396 304 HH11 ARG 42 1HH1 ARG 42 -7.132 -2.453 -2.065 305 HH12 ARG 42 2HH1 ARG 42 -7.916 -2.378 -3.609 306 HH21 ARG 42 1HH2 ARG 42 -5.027 -3.117 -5.434 307 HH22 ARG 42 2HH2 ARG 42 -6.718 -2.757 -5.524 308 H GLU 43 H GLU 43 -0.240 -5.141 -1.160 309 HA GLU 43 HA GLU 43 -0.301 -7.966 -1.999 310 HB2 GLU 43 1HB GLU 43 1.560 -5.937 -3.203 311 HB3 GLU 43 2HB GLU 43 1.092 -7.510 -3.834 312 HG2 GLU 43 1HG GLU 43 -0.922 -5.322 -3.514 313 HG3 GLU 43 2HG GLU 43 0.128 -5.395 -4.927 314 H ARG 44 H ARG 44 2.244 -8.577 -2.345 315 HA ARG 44 HA ARG 44 3.266 -9.017 0.184 316 HB2 ARG 44 1HB ARG 44 3.951 -10.259 -1.839 317 HB3 ARG 44 2HB ARG 44 4.832 -8.843 -2.396 318 HG2 ARG 44 1HG ARG 44 6.243 -8.987 -0.358 319 HG3 ARG 44 2HG ARG 44 5.420 -10.495 0.049 320 HD2 ARG 44 1HD ARG 44 6.121 -11.121 -2.423 321 HD3 ARG 44 2HD ARG 44 7.366 -9.910 -2.123 322 HE ARG 44 HE ARG 44 8.386 -11.358 -0.663 323 HH11 ARG 44 1HH1 ARG 44 5.190 -12.519 -1.411 324 HH12 ARG 44 2HH1 ARG 44 5.425 -14.053 -0.641 325 HH21 ARG 44 1HH2 ARG 44 8.708 -13.374 0.354 326 HH22 ARG 44 2HH2 ARG 44 7.426 -14.538 0.364 327 H PHE 45 H PHE 45 3.975 -6.392 -2.072 328 HA PHE 45 HA PHE 45 5.247 -4.937 0.142 329 HB2 PHE 45 1HB PHE 45 6.314 -5.425 -2.613 330 HB3 PHE 45 2HB PHE 45 6.711 -3.921 -1.788 331 HD1 PHE 45 HD2 PHE 45 7.139 -4.659 0.941 332 HD2 PHE 45 HD1 PHE 45 8.150 -6.799 -2.597 333 HE1 PHE 45 HE2 PHE 45 8.947 -5.804 2.154 334 HE2 PHE 45 HE1 PHE 45 9.960 -7.948 -1.389 335 HZ PHE 45 HZ PHE 45 10.361 -7.450 0.989 336 H LEU 46 H LEU 46 2.548 -4.811 -0.885 337 HA LEU 46 HA LEU 46 2.540 -2.009 -1.785 338 HB2 LEU 46 1HB LEU 46 1.941 -3.447 -3.655 339 HB3 LEU 46 2HB LEU 46 0.686 -4.212 -2.682 340 HG LEU 46 HG LEU 46 -0.568 -2.122 -2.634 341 HD11 LEU 46 1HD1 LEU 46 0.405 -0.170 -3.011 342 HD12 LEU 46 2HD1 LEU 46 0.756 -0.651 -4.671 343 HD13 LEU 46 3HD1 LEU 46 1.918 -0.996 -3.390 344 HD21 LEU 46 1HD2 LEU 46 -0.752 -1.928 -5.272 345 HD22 LEU 46 2HD2 LEU 46 -1.361 -3.331 -4.393 346 HD23 LEU 46 3HD2 LEU 46 0.208 -3.405 -5.195 347 H LEU 47 H LEU 47 0.943 -0.687 -0.934 348 HA LEU 47 HA LEU 47 -0.930 -1.849 0.987 349 HB2 LEU 47 1HB LEU 47 1.100 0.282 1.610 350 HB3 LEU 47 2HB LEU 47 -0.332 0.000 2.598 351 HG LEU 47 HG LEU 47 1.610 -2.218 2.067 352 HD11 LEU 47 1HD1 LEU 47 2.897 -1.621 3.986 353 HD12 LEU 47 2HD1 LEU 47 1.838 -0.256 4.340 354 HD13 LEU 47 3HD1 LEU 47 2.862 -0.229 2.905 355 HD21 LEU 47 1HD2 LEU 47 -0.730 -2.430 3.157 356 HD22 LEU 47 2HD2 LEU 47 0.045 -1.704 4.565 357 HD23 LEU 47 3HD2 LEU 47 0.647 -3.229 3.915 358 H PHE 48 H PHE 48 -2.772 -0.598 1.376 359 HA PHE 48 HA PHE 48 -3.390 1.281 -0.738 360 HB2 PHE 48 1HB PHE 48 -4.929 -0.581 0.233 361 HB3 PHE 48 2HB PHE 48 -5.256 0.586 1.510 362 HD1 PHE 48 HD1 PHE 48 -6.486 2.621 1.054 363 HD2 PHE 48 HD2 PHE 48 -5.719 -0.225 -2.017 364 HE1 PHE 48 HE1 PHE 48 -8.185 3.697 -0.364 365 HE2 PHE 48 HE2 PHE 48 -7.415 0.847 -3.440 366 HZ PHE 48 HZ PHE 48 -8.650 2.812 -2.614 367 H CYS 49 H CYS 49 -4.178 3.404 -0.401 368 HA CYS 49 HA CYS 49 -3.544 4.580 2.219 369 HB2 CYS 49 1HB CYS 49 -2.899 5.900 -0.422 370 HB3 CYS 49 2HB CYS 49 -2.470 6.469 1.187 371 HG CYS 49 HG CYS 49 -1.032 4.037 -0.674 372 H VAL 50 H VAL 50 -4.839 6.275 2.880 373 HA VAL 50 HA VAL 50 -6.901 7.281 1.089 374 HB VAL 50 HB VAL 50 -7.513 5.680 3.564 375 HG11 VAL 50 1HG1 VAL 50 -9.083 7.864 2.279 376 HG12 VAL 50 2HG1 VAL 50 -9.934 6.477 2.961 377 HG13 VAL 50 3HG1 VAL 50 -8.895 7.467 3.986 378 HG21 VAL 50 1HG2 VAL 50 -8.130 5.475 0.654 379 HG22 VAL 50 2HG2 VAL 50 -7.603 4.227 1.783 380 HG23 VAL 50 3HG2 VAL 50 -9.268 4.807 1.825 381 H HIS 51 H HIS 51 -7.512 9.329 1.562 382 HA HIS 51 HA HIS 51 -6.997 10.448 4.194 383 HB2 HIS 51 1HB HIS 51 -4.887 10.702 2.789 384 HB3 HIS 51 2HB HIS 51 -5.813 11.800 1.770 385 HD1 HIS 51 HD1 HIS 51 -5.205 14.120 2.329 386 HD2 HIS 51 HD2 HIS 51 -5.353 11.716 5.714 387 HE1 HIS 51 HE1 HIS 51 -4.700 15.648 4.261 388 HE2 HIS 51 HE2 HIS 51 -4.711 14.155 6.289 389 H GLY 52 H GLY 52 -8.002 12.529 4.516 390 HA2 GLY 52 1HA GLY 52 -10.217 12.977 2.614 391 HA3 GLY 52 2HA GLY 52 -10.327 13.259 4.346 392 H ASP 53 H ASP 53 -8.015 14.230 1.811 393 HA ASP 53 HA ASP 53 -7.342 16.687 2.892 394 HB2 ASP 53 1HB ASP 53 -5.988 15.933 1.128 395 HB3 ASP 53 2HB ASP 53 -7.367 15.659 0.066 396 H GLY 54 H GLY 54 -9.931 15.922 0.583 397 HA2 GLY 54 1HA GLY 54 -11.010 18.633 1.037 398 HA3 GLY 54 2HA GLY 54 -11.270 17.696 -0.428 399 H HIS 55 H HIS 55 -13.519 17.887 -0.256 400 HA HIS 55 HA HIS 55 -14.972 17.142 2.063 401 HB2 HIS 55 1HB HIS 55 -15.712 17.563 -0.820 402 HB3 HIS 55 2HB HIS 55 -16.894 16.951 0.334 403 HD1 HIS 55 HD1 HIS 55 -18.364 19.031 0.292 404 HD2 HIS 55 HD2 HIS 55 -14.419 19.819 1.330 405 HE1 HIS 55 HE1 HIS 55 -18.349 21.403 1.129 406 HE2 HIS 55 HE2 HIS 55 -15.938 21.885 1.671 407 H ALA 56 H ALA 56 -16.613 15.334 2.025 408 HA ALA 56 HA ALA 56 -15.320 12.861 1.921 409 HB1 ALA 56 1HB ALA 56 -17.472 11.872 2.363 410 HB2 ALA 56 2HB ALA 56 -17.314 13.360 3.297 411 HB3 ALA 56 3HB ALA 56 -18.295 13.338 1.832 412 H GLU 57 H GLU 57 -17.776 14.191 -0.297 413 HA GLU 57 HA GLU 57 -17.753 12.041 -2.103 414 HB2 GLU 57 1HB GLU 57 -18.376 14.939 -2.698 415 HB3 GLU 57 2HB GLU 57 -18.865 13.550 -3.658 416 HG2 GLU 57 1HG GLU 57 -19.679 13.682 -0.800 417 HG3 GLU 57 2HG GLU 57 -20.520 14.685 -1.980 418 H ASN 58 H ASN 58 -15.418 14.408 -1.485 419 HA ASN 58 HA ASN 58 -14.148 13.967 -4.104 420 HB2 ASN 58 1HB ASN 58 -13.908 16.235 -2.128 421 HB3 ASN 58 2HB ASN 58 -12.767 16.010 -3.450 422 HD21 ASN 58 1HD2 ASN 58 -16.271 15.553 -3.331 423 HD22 ASN 58 2HD2 ASN 58 -16.638 16.695 -4.574 424 H LEU 59 H LEU 59 -14.083 12.166 -1.770 425 HA LEU 59 HA LEU 59 -11.636 12.338 -0.404 426 HB2 LEU 59 1HB LEU 59 -13.629 10.870 0.128 427 HB3 LEU 59 2HB LEU 59 -13.046 9.782 -1.129 428 HG LEU 59 HG LEU 59 -10.942 9.504 0.156 429 HD11 LEU 59 1HD1 LEU 59 -12.403 11.032 2.304 430 HD12 LEU 59 2HD1 LEU 59 -11.035 11.639 1.371 431 HD13 LEU 59 3HD1 LEU 59 -10.824 10.261 2.451 432 HD21 LEU 59 1HD2 LEU 59 -13.568 8.798 1.440 433 HD22 LEU 59 2HD2 LEU 59 -12.021 8.207 2.048 434 HD23 LEU 59 3HD2 LEU 59 -12.543 7.792 0.415 435 H VAL 60 H VAL 60 -9.703 11.099 -0.680 436 HA VAL 60 HA VAL 60 -9.173 10.369 -3.488 437 HB VAL 60 HB VAL 60 -7.384 11.741 -1.490 438 HG11 VAL 60 1HG1 VAL 60 -6.625 10.368 -4.062 439 HG12 VAL 60 2HG1 VAL 60 -5.600 11.541 -3.232 440 HG13 VAL 60 3HG1 VAL 60 -6.025 10.022 -2.441 441 HG21 VAL 60 1HG2 VAL 60 -7.548 12.667 -4.269 442 HG22 VAL 60 2HG2 VAL 60 -9.060 12.775 -3.367 443 HG23 VAL 60 3HG2 VAL 60 -7.613 13.581 -2.761 444 H GLN 61 H GLN 61 -8.050 8.504 -3.901 445 HA GLN 61 HA GLN 61 -7.069 6.931 -1.640 446 HB2 GLN 61 1HB GLN 61 -8.878 5.728 -3.733 447 HB3 GLN 61 2HB GLN 61 -8.266 4.957 -2.276 448 HG2 GLN 61 1HG GLN 61 -9.549 6.888 -1.072 449 HG3 GLN 61 2HG GLN 61 -10.443 6.963 -2.589 450 HE21 GLN 61 1HE2 GLN 61 -11.291 6.171 0.111 451 HE22 GLN 61 2HE2 GLN 61 -11.942 4.579 -0.053 452 H TRP 62 H TRP 62 -5.193 5.949 -2.067 453 HA TRP 62 HA TRP 62 -4.491 5.223 -4.793 454 HB2 TRP 62 1HB TRP 62 -2.443 6.477 -4.857 455 HB3 TRP 62 2HB TRP 62 -3.749 7.599 -4.485 456 HD1 TRP 62 HD1 TRP 62 -0.421 6.509 -3.267 457 HE1 TRP 62 HE1 TRP 62 0.092 7.582 -0.984 458 HE3 TRP 62 HE3 TRP 62 -5.079 8.289 -2.142 459 HZ2 TRP 62 HZ2 TRP 62 -1.295 8.994 1.028 460 HZ3 TRP 62 HZ3 TRP 62 -5.402 9.489 -0.018 461 HH2 TRP 62 HH2 TRP 62 -3.548 9.833 1.533 462 H GLU 63 H GLU 63 -2.445 3.975 -4.878 463 HA GLU 63 HA GLU 63 -1.953 2.573 -2.332 464 HB2 GLU 63 1HB GLU 63 -2.486 1.546 -5.065 465 HB3 GLU 63 2HB GLU 63 -1.267 0.696 -4.126 466 HG2 GLU 63 1HG GLU 63 -2.848 0.252 -2.374 467 HG3 GLU 63 2HG GLU 63 -4.070 1.236 -3.177 468 H MET 64 H MET 64 0.172 1.753 -1.989 469 HA MET 64 HA MET 64 2.243 2.947 -3.704 470 HB2 MET 64 1HB MET 64 2.269 2.864 -0.681 471 HB3 MET 64 2HB MET 64 3.569 3.466 -1.701 472 HG2 MET 64 1HG MET 64 2.316 5.326 -2.388 473 HG3 MET 64 2HG MET 64 0.811 4.635 -1.787 474 HE1 MET 64 1HE MET 64 4.468 5.300 -0.120 475 HE2 MET 64 2HE MET 64 3.930 6.614 -1.166 476 HE3 MET 64 3HE MET 64 4.025 6.857 0.579 477 H GLU 65 H GLU 65 3.585 1.466 -4.478 478 HA GLU 65 HA GLU 65 3.922 -1.044 -2.972 479 HB2 GLU 65 1HB GLU 65 2.772 -1.258 -5.177 480 HB3 GLU 65 2HB GLU 65 4.223 -0.638 -5.952 481 HG2 GLU 65 1HG GLU 65 4.413 -3.025 -4.178 482 HG3 GLU 65 2HG GLU 65 3.787 -3.200 -5.817 483 H VAL 66 H VAL 66 5.995 -2.014 -2.939 484 HA VAL 66 HA VAL 66 8.183 -0.090 -3.364 485 HB VAL 66 HB VAL 66 8.159 -2.486 -1.524 486 HG11 VAL 66 1HG1 VAL 66 10.300 -2.033 -0.994 487 HG12 VAL 66 2HG1 VAL 66 10.324 -1.259 -2.580 488 HG13 VAL 66 3HG1 VAL 66 10.075 -0.289 -1.127 489 HG21 VAL 66 1HG2 VAL 66 6.675 -0.307 -1.098 490 HG22 VAL 66 2HG2 VAL 66 7.476 -1.184 0.206 491 HG23 VAL 66 3HG2 VAL 66 8.211 0.275 -0.458 492 H CYS 67 H CYS 67 9.401 -0.483 -5.081 493 HA CYS 67 HA CYS 67 10.125 -3.252 -5.708 494 HB2 CYS 67 1HB CYS 67 8.205 -2.386 -7.170 495 HB3 CYS 67 2HB CYS 67 9.393 -1.304 -7.887 496 HG CYS 67 HG CYS 67 10.100 -2.990 -9.676 497 H LYS 68 H LYS 68 12.035 -3.422 -7.087 498 HA LYS 68 HA LYS 68 14.015 -1.468 -6.324 499 HB2 LYS 68 1HB LYS 68 14.297 -4.036 -6.457 500 HB3 LYS 68 2HB LYS 68 14.496 -3.780 -8.185 501 HG2 LYS 68 1HG LYS 68 16.150 -2.152 -6.333 502 HG3 LYS 68 2HG LYS 68 16.555 -3.857 -6.542 503 HD2 LYS 68 1HD LYS 68 16.292 -3.222 -9.102 504 HD3 LYS 68 2HD LYS 68 16.685 -1.614 -8.489 505 HE2 LYS 68 1HE LYS 68 18.720 -2.693 -9.157 506 HE3 LYS 68 2HE LYS 68 18.695 -2.587 -7.397 507 HZ1 LYS 68 1HZ LYS 68 19.409 -4.778 -8.423 508 HZ2 LYS 68 2HZ LYS 68 17.782 -5.014 -8.818 509 HZ3 LYS 68 3HZ LYS 68 18.244 -4.854 -7.198 510 H LEU 69 H LEU 69 15.018 0.005 -7.600 511 HA LEU 69 HA LEU 69 13.731 0.959 -9.899 512 HB2 LEU 69 1HB LEU 69 16.359 1.481 -8.593 513 HB3 LEU 69 2HB LEU 69 16.059 2.135 -10.202 514 HG LEU 69 HG LEU 69 15.621 3.788 -8.461 515 HD11 LEU 69 1HD1 LEU 69 13.457 4.501 -9.213 516 HD12 LEU 69 2HD1 LEU 69 13.053 2.868 -9.742 517 HD13 LEU 69 3HD1 LEU 69 14.317 3.776 -10.572 518 HD21 LEU 69 1HD2 LEU 69 13.282 2.175 -7.525 519 HD22 LEU 69 2HD2 LEU 69 14.111 3.513 -6.728 520 HD23 LEU 69 3HD2 LEU 69 14.878 1.926 -6.816 521 HA PRO 70 HA PRO 70 15.256 -1.648 -13.103 522 HB2 PRO 70 1HB PRO 70 14.901 0.024 -15.213 523 HB3 PRO 70 2HB PRO 70 13.562 -0.792 -14.398 524 HG2 PRO 70 1HG PRO 70 14.552 2.014 -14.071 525 HG3 PRO 70 2HG PRO 70 12.884 1.422 -14.176 526 HD2 PRO 70 1HD PRO 70 14.059 2.056 -11.820 527 HD3 PRO 70 2HD PRO 70 12.842 0.771 -11.965 528 H ARG 71 H ARG 71 16.340 1.748 -13.283 529 HA ARG 71 HA ARG 71 18.828 0.930 -14.540 530 HB2 ARG 71 1HB ARG 71 17.448 3.034 -15.117 531 HB3 ARG 71 2HB ARG 71 18.150 3.725 -13.660 532 HG2 ARG 71 1HG ARG 71 20.404 3.277 -14.599 533 HG3 ARG 71 2HG ARG 71 19.627 2.750 -16.093 534 HD2 ARG 71 1HD ARG 71 20.069 4.947 -16.590 535 HD3 ARG 71 2HD ARG 71 18.437 5.077 -15.935 536 HE ARG 71 HE ARG 71 20.041 5.434 -13.770 537 HH11 ARG 71 1HH1 ARG 71 19.815 6.931 -16.905 538 HH12 ARG 71 2HH1 ARG 71 20.377 8.474 -16.353 539 HH21 ARG 71 1HH2 ARG 71 20.782 7.461 -13.031 540 HH22 ARG 71 2HH2 ARG 71 20.928 8.774 -14.150 541 H LEU 72 H LEU 72 17.820 2.621 -11.574 542 HA LEU 72 HA LEU 72 20.492 2.520 -10.486 543 HB2 LEU 72 1HB LEU 72 17.875 3.363 -9.251 544 HB3 LEU 72 2HB LEU 72 19.456 3.543 -8.493 545 HG LEU 72 HG LEU 72 18.994 4.813 -11.149 546 HD11 LEU 72 1HD1 LEU 72 18.379 6.812 -9.385 547 HD12 LEU 72 2HD1 LEU 72 17.507 5.433 -8.716 548 HD13 LEU 72 3HD1 LEU 72 17.220 5.933 -10.383 549 HD21 LEU 72 1HD2 LEU 72 21.113 4.713 -9.460 550 HD22 LEU 72 2HD2 LEU 72 20.342 6.214 -8.948 551 HD23 LEU 72 3HD2 LEU 72 20.829 6.001 -10.631 552 H SER 73 H SER 73 20.785 1.669 -8.210 553 HA SER 73 HA SER 73 19.773 -1.066 -8.138 554 HB2 SER 73 1HB SER 73 22.161 -0.863 -7.913 555 HB3 SER 73 2HB SER 73 21.990 0.320 -6.617 556 HG SER 73 HG SER 73 21.613 -2.453 -6.568 557 H LEU 74 H LEU 74 19.749 1.890 -6.237 558 HA LEU 74 HA LEU 74 18.730 0.974 -3.838 559 HB2 LEU 74 1HB LEU 74 17.681 3.241 -3.644 560 HB3 LEU 74 2HB LEU 74 19.406 3.231 -4.003 561 HG LEU 74 HG LEU 74 18.508 3.457 -6.491 562 HD11 LEU 74 1HD1 LEU 74 16.431 5.068 -5.072 563 HD12 LEU 74 2HD1 LEU 74 16.121 3.378 -5.466 564 HD13 LEU 74 3HD1 LEU 74 16.484 4.530 -6.751 565 HD21 LEU 74 1HD2 LEU 74 19.892 5.161 -5.998 566 HD22 LEU 74 2HD2 LEU 74 19.216 5.384 -4.385 567 HD23 LEU 74 3HD2 LEU 74 18.393 6.067 -5.789 568 H ASN 75 H ASN 75 16.348 1.892 -3.188 569 HA ASN 75 HA ASN 75 14.450 0.707 -5.101 570 HB2 ASN 75 1HB ASN 75 14.352 0.390 -2.092 571 HB3 ASN 75 2HB ASN 75 13.225 -0.305 -3.253 572 HD21 ASN 75 1HD2 ASN 75 14.018 -2.198 -1.881 573 HD22 ASN 75 2HD2 ASN 75 15.357 -3.082 -2.521 574 H GLY 76 H GLY 76 12.729 1.931 -5.565 575 HA2 GLY 76 1HA GLY 76 12.300 4.343 -3.921 576 HA3 GLY 76 2HA GLY 76 11.928 4.219 -5.634 577 H VAL 77 H VAL 77 9.854 5.135 -4.759 578 HA VAL 77 HA VAL 77 8.097 2.970 -3.800 579 HB VAL 77 HB VAL 77 7.754 5.952 -3.456 580 HG11 VAL 77 1HG1 VAL 77 5.999 4.641 -1.764 581 HG12 VAL 77 2HG1 VAL 77 5.584 5.480 -3.261 582 HG13 VAL 77 3HG1 VAL 77 5.885 3.742 -3.276 583 HG21 VAL 77 1HG2 VAL 77 8.229 5.626 -1.153 584 HG22 VAL 77 2HG2 VAL 77 8.209 3.871 -1.327 585 HG23 VAL 77 3HG2 VAL 77 9.512 4.814 -2.051 586 H ARG 78 H ARG 78 6.191 2.567 -4.855 587 HA ARG 78 HA ARG 78 5.874 3.899 -7.456 588 HB2 ARG 78 1HB ARG 78 5.366 1.139 -6.473 589 HB3 ARG 78 2HB ARG 78 4.284 1.767 -7.709 590 HG2 ARG 78 1HG ARG 78 6.245 2.253 -9.128 591 HG3 ARG 78 2HG ARG 78 7.277 1.512 -7.903 592 HD2 ARG 78 1HD ARG 78 6.874 -0.143 -9.555 593 HD3 ARG 78 2HD ARG 78 5.897 -0.573 -8.152 594 HE ARG 78 HE ARG 78 4.473 1.003 -10.078 595 HH11 ARG 78 1HH1 ARG 78 5.475 -2.219 -9.222 596 HH12 ARG 78 2HH1 ARG 78 4.186 -2.990 -10.085 597 HH21 ARG 78 1HH2 ARG 78 2.771 0.000 -11.218 598 HH22 ARG 78 2HH2 ARG 78 2.649 -1.726 -11.221 599 H PHE 79 H PHE 79 4.451 5.513 -7.330 600 HA PHE 79 HA PHE 79 2.172 5.336 -5.531 601 HB2 PHE 79 1HB PHE 79 3.275 7.548 -7.259 602 HB3 PHE 79 2HB PHE 79 1.741 7.694 -6.407 603 HD1 PHE 79 HD2 PHE 79 5.295 6.779 -5.745 604 HD2 PHE 79 HD1 PHE 79 1.744 8.642 -4.317 605 HE1 PHE 79 HE2 PHE 79 6.494 7.506 -3.723 606 HE2 PHE 79 HE1 PHE 79 2.938 9.373 -2.293 607 HZ PHE 79 HZ PHE 79 5.315 8.804 -1.994 608 H LYS 80 H LYS 80 0.639 4.009 -6.338 609 HA LYS 80 HA LYS 80 -0.231 4.427 -9.117 610 HB2 LYS 80 1HB LYS 80 -1.002 2.220 -9.169 611 HB3 LYS 80 2HB LYS 80 0.499 2.112 -8.258 612 HG2 LYS 80 1HG LYS 80 -0.971 2.309 -6.173 613 HG3 LYS 80 2HG LYS 80 -2.319 1.950 -7.254 614 HD2 LYS 80 1HD LYS 80 0.138 0.224 -6.968 615 HD3 LYS 80 2HD LYS 80 -1.377 -0.051 -6.104 616 HE2 LYS 80 1HE LYS 80 -1.447 0.230 -9.068 617 HE3 LYS 80 2HE LYS 80 -0.850 -1.278 -8.377 618 HZ1 LYS 80 1HZ LYS 80 -3.261 -0.437 -7.120 619 HZ2 LYS 80 2HZ LYS 80 -2.906 -1.904 -7.883 620 HZ3 LYS 80 3HZ LYS 80 -3.473 -0.594 -8.791 621 H ARG 81 H ARG 81 -1.912 5.747 -9.300 622 HA ARG 81 HA ARG 81 -3.653 6.378 -7.144 623 HB2 ARG 81 1HB ARG 81 -3.193 8.014 -8.875 624 HB3 ARG 81 2HB ARG 81 -3.868 6.953 -10.103 625 HG2 ARG 81 1HG ARG 81 -6.068 7.130 -8.985 626 HG3 ARG 81 2HG ARG 81 -5.362 8.290 -7.859 627 HD2 ARG 81 1HD ARG 81 -6.257 9.716 -9.412 628 HD3 ARG 81 2HD ARG 81 -4.635 9.506 -10.070 629 HE ARG 81 HE ARG 81 -6.623 7.659 -11.074 630 HH11 ARG 81 1HH1 ARG 81 -4.985 10.700 -11.512 631 HH12 ARG 81 2HH1 ARG 81 -5.326 10.788 -13.209 632 HH21 ARG 81 1HH2 ARG 81 -7.077 7.763 -13.307 633 HH22 ARG 81 2HH2 ARG 81 -6.517 9.117 -14.228 634 H ILE 82 H ILE 82 -5.619 5.602 -6.611 635 HA ILE 82 HA ILE 82 -6.579 3.274 -8.117 636 HB ILE 82 HB ILE 82 -7.277 4.186 -5.323 637 HG12 ILE 82 1HG1 ILE 82 -5.144 3.332 -5.080 638 HG13 ILE 82 2HG1 ILE 82 -6.102 1.867 -4.891 639 HG21 ILE 82 1HG2 ILE 82 -8.590 2.370 -7.115 640 HG22 ILE 82 2HG2 ILE 82 -7.979 1.500 -5.709 641 HG23 ILE 82 3HG2 ILE 82 -9.061 2.875 -5.492 642 HD11 ILE 82 1HD1 ILE 82 -4.185 1.484 -6.323 643 HD12 ILE 82 2HD1 ILE 82 -5.688 1.302 -7.229 644 HD13 ILE 82 3HD1 ILE 82 -4.722 2.767 -7.409 645 H SER 83 H SER 83 -7.828 6.195 -6.507 646 HA SER 83 HA SER 83 -9.816 6.489 -8.606 647 HB2 SER 83 1HB SER 83 -11.670 6.738 -6.949 648 HB3 SER 83 2HB SER 83 -11.025 5.099 -7.035 649 HG SER 83 HG SER 83 -11.028 6.872 -4.952 650 H GLY 84 H GLY 84 -11.056 8.567 -8.333 651 HA2 GLY 84 1HA GLY 84 -11.208 10.788 -7.556 652 HA3 GLY 84 2HA GLY 84 -9.693 10.567 -6.695 653 H THR 85 H THR 85 -10.467 12.760 -8.425 654 HA THR 85 HA THR 85 -9.146 12.494 -10.938 655 HB THR 85 HB THR 85 -10.921 14.153 -10.610 656 HG1 THR 85 HG1 THR 85 -9.821 15.014 -12.204 657 HG21 THR 85 1HG2 THR 85 -8.964 15.711 -8.926 658 HG22 THR 85 2HG2 THR 85 -10.243 14.707 -8.241 659 HG23 THR 85 3HG2 THR 85 -10.654 16.091 -9.254 660 H SER 86 H SER 86 -7.499 14.505 -11.355 661 HA SER 86 HA SER 86 -5.136 13.743 -9.898 662 HB2 SER 86 1HB SER 86 -5.190 16.026 -11.841 663 HB3 SER 86 2HB SER 86 -3.925 14.830 -11.559 664 HG SER 86 HG SER 86 -5.641 14.769 -13.471 665 H ILE 87 H ILE 87 -7.324 16.468 -9.982 666 HA ILE 87 HA ILE 87 -5.769 18.377 -8.662 667 HB ILE 87 HB ILE 87 -8.750 17.946 -8.714 668 HG12 ILE 87 1HG1 ILE 87 -7.026 20.091 -9.970 669 HG13 ILE 87 2HG1 ILE 87 -7.554 18.635 -10.807 670 HG21 ILE 87 1HG2 ILE 87 -8.893 20.280 -7.801 671 HG22 ILE 87 2HG2 ILE 87 -8.351 19.059 -6.651 672 HG23 ILE 87 3HG2 ILE 87 -7.182 20.151 -7.394 673 HD11 ILE 87 1HD1 ILE 87 -9.178 20.036 -11.506 674 HD12 ILE 87 2HD1 ILE 87 -9.927 19.526 -9.993 675 HD13 ILE 87 3HD1 ILE 87 -9.065 21.062 -10.077 676 H ALA 88 H ALA 88 -7.685 15.706 -7.419 677 HA ALA 88 HA ALA 88 -7.149 16.497 -4.662 678 HB1 ALA 88 1HB ALA 88 -8.585 13.989 -5.429 679 HB2 ALA 88 2HB ALA 88 -8.796 15.011 -4.006 680 HB3 ALA 88 3HB ALA 88 -9.386 15.553 -5.577 681 H PHE 89 H PHE 89 -6.540 13.752 -6.837 682 HA PHE 89 HA PHE 89 -5.090 12.161 -5.068 683 HB2 PHE 89 1HB PHE 89 -5.751 11.150 -7.091 684 HB3 PHE 89 2HB PHE 89 -5.041 12.434 -8.065 685 HD1 PHE 89 HD1 PHE 89 -3.976 9.890 -5.550 686 HD2 PHE 89 HD2 PHE 89 -3.083 11.966 -9.157 687 HE1 PHE 89 HE1 PHE 89 -1.927 8.553 -5.808 688 HE2 PHE 89 HE2 PHE 89 -1.032 10.632 -9.421 689 HZ PHE 89 HZ PHE 89 -0.452 8.922 -7.746 690 H LYS 90 H LYS 90 -4.091 14.893 -7.032 691 HA LYS 90 HA LYS 90 -1.288 14.546 -6.504 692 HB2 LYS 90 1HB LYS 90 -2.366 15.717 -8.523 693 HB3 LYS 90 2HB LYS 90 -2.592 17.091 -7.448 694 HG2 LYS 90 1HG LYS 90 0.122 15.905 -7.630 695 HG3 LYS 90 2HG LYS 90 -0.466 16.857 -8.995 696 HD2 LYS 90 1HD LYS 90 -0.573 17.865 -6.163 697 HD3 LYS 90 2HD LYS 90 0.839 18.100 -7.196 698 HE2 LYS 90 1HE LYS 90 -1.919 18.911 -8.066 699 HE3 LYS 90 2HE LYS 90 -0.897 19.978 -7.106 700 HZ1 LYS 90 1HZ LYS 90 -0.758 20.327 -9.550 701 HZ2 LYS 90 2HZ LYS 90 -0.057 18.795 -9.693 702 HZ3 LYS 90 3HZ LYS 90 0.732 20.007 -8.815 703 H ASN 91 H ASN 91 -3.945 16.245 -5.027 704 HA ASN 91 HA ASN 91 -2.522 18.114 -3.498 705 HB2 ASN 91 1HB ASN 91 -5.217 16.856 -3.341 706 HB3 ASN 91 2HB ASN 91 -4.621 17.681 -1.903 707 HD21 ASN 91 1HD2 ASN 91 -6.558 19.004 -2.420 708 HD22 ASN 91 2HD2 ASN 91 -6.346 20.349 -3.483 709 H ILE 92 H ILE 92 -3.579 14.815 -2.703 710 HA ILE 92 HA ILE 92 -2.192 14.883 -0.164 711 HB ILE 92 HB ILE 92 -4.337 13.670 -0.413 712 HG12 ILE 92 1HG1 ILE 92 -3.720 11.797 0.933 713 HG13 ILE 92 2HG1 ILE 92 -2.105 11.743 0.235 714 HG21 ILE 92 1HG2 ILE 92 -4.004 12.843 -2.688 715 HG22 ILE 92 2HG2 ILE 92 -2.729 11.769 -2.114 716 HG23 ILE 92 3HG2 ILE 92 -4.392 11.527 -1.580 717 HD11 ILE 92 1HD1 ILE 92 -1.353 13.494 1.503 718 HD12 ILE 92 2HD1 ILE 92 -2.965 14.180 1.708 719 HD13 ILE 92 3HD1 ILE 92 -2.500 12.738 2.610 720 H ALA 93 H ALA 93 -1.816 13.325 -3.315 721 HA ALA 93 HA ALA 93 0.269 11.595 -2.785 722 HB1 ALA 93 1HB ALA 93 -0.777 11.529 -4.915 723 HB2 ALA 93 2HB ALA 93 -0.330 13.200 -5.260 724 HB3 ALA 93 3HB ALA 93 0.913 11.951 -5.189 725 H SER 94 H SER 94 0.322 15.071 -3.133 726 HA SER 94 HA SER 94 3.106 15.390 -3.493 727 HB2 SER 94 1HB SER 94 1.277 17.130 -3.875 728 HB3 SER 94 2HB SER 94 1.297 17.387 -2.130 729 HG SER 94 HG SER 94 3.347 17.863 -4.012 730 H LYS 95 H LYS 95 1.063 15.522 -0.588 731 HA LYS 95 HA LYS 95 3.033 16.125 1.278 732 HB2 LYS 95 1HB LYS 95 0.531 14.457 1.573 733 HB3 LYS 95 2HB LYS 95 1.521 14.986 2.928 734 HG2 LYS 95 1HG LYS 95 0.541 17.046 1.028 735 HG3 LYS 95 2HG LYS 95 -0.612 16.327 2.154 736 HD2 LYS 95 1HD LYS 95 0.170 18.141 3.357 737 HD3 LYS 95 2HD LYS 95 1.216 16.841 3.935 738 HE2 LYS 95 1HE LYS 95 3.043 17.606 2.729 739 HE3 LYS 95 2HE LYS 95 2.042 18.509 1.593 740 HZ1 LYS 95 1HZ LYS 95 1.559 19.602 4.084 741 HZ2 LYS 95 2HZ LYS 95 2.437 20.296 2.816 742 HZ3 LYS 95 3HZ LYS 95 3.236 19.392 4.002 743 H ILE 96 H ILE 96 1.665 12.869 0.769 744 HA ILE 96 HA ILE 96 3.353 11.341 2.203 745 HB ILE 96 HB ILE 96 2.536 10.626 -0.614 746 HG12 ILE 96 1HG1 ILE 96 0.512 11.203 0.415 747 HG13 ILE 96 2HG1 ILE 96 0.623 9.467 0.686 748 HG21 ILE 96 1HG2 ILE 96 2.602 8.315 0.243 749 HG22 ILE 96 2HG2 ILE 96 4.177 9.106 0.300 750 HG23 ILE 96 3HG2 ILE 96 3.229 8.924 1.775 751 HD11 ILE 96 1HD1 ILE 96 -0.005 10.188 2.756 752 HD12 ILE 96 2HD1 ILE 96 1.750 10.215 2.931 753 HD13 ILE 96 3HD1 ILE 96 0.872 11.711 2.615 754 H ALA 97 H ALA 97 4.003 12.320 -1.163 755 HA ALA 97 HA ALA 97 6.416 11.179 -1.630 756 HB1 ALA 97 1HB ALA 97 5.067 13.586 -2.561 757 HB2 ALA 97 2HB ALA 97 6.826 13.696 -2.656 758 HB3 ALA 97 3HB ALA 97 5.980 12.376 -3.463 759 H ASN 98 H ASN 98 6.211 14.522 -0.396 760 HA ASN 98 HA ASN 98 8.907 14.615 0.420 761 HB2 ASN 98 1HB ASN 98 6.490 16.300 0.994 762 HB3 ASN 98 2HB ASN 98 7.999 16.599 1.850 763 HD21 ASN 98 1HD2 ASN 98 6.234 17.646 -0.617 764 HD22 ASN 98 2HD2 ASN 98 7.469 18.218 -1.681 765 H GLU 99 H GLU 99 5.969 14.498 2.445 766 HA GLU 99 HA GLU 99 6.915 14.258 4.924 767 HB2 GLU 99 1HB GLU 99 4.752 12.643 3.597 768 HB3 GLU 99 2HB GLU 99 5.114 12.451 5.307 769 HG2 GLU 99 1HG GLU 99 4.315 15.030 3.976 770 HG3 GLU 99 2HG GLU 99 3.246 13.982 4.907 771 H LEU 100 H LEU 100 6.756 11.493 2.684 772 HA LEU 100 HA LEU 100 7.703 9.444 4.135 773 HB2 LEU 100 1HB LEU 100 8.261 10.295 1.336 774 HB3 LEU 100 2HB LEU 100 9.150 8.924 1.996 775 HG LEU 100 HG LEU 100 6.141 9.075 1.915 776 HD11 LEU 100 1HD1 LEU 100 6.496 7.363 0.034 777 HD12 LEU 100 2HD1 LEU 100 8.114 8.052 -0.095 778 HD13 LEU 100 3HD1 LEU 100 6.699 9.074 -0.344 779 HD21 LEU 100 1HD2 LEU 100 6.337 6.632 2.221 780 HD22 LEU 100 2HD2 LEU 100 6.998 7.546 3.577 781 HD23 LEU 100 3HD2 LEU 100 8.082 6.816 2.392 782 H LYS 101 H LYS 101 9.171 9.574 5.717 783 HA LYS 101 HA LYS 101 11.544 11.192 5.472 784 HB2 LYS 101 1HB LYS 101 10.109 10.558 7.603 785 HB3 LYS 101 2HB LYS 101 11.202 9.181 7.653 786 HG2 LYS 101 1HG LYS 101 13.072 10.954 7.479 787 HG3 LYS 101 2HG LYS 101 11.815 12.088 7.979 788 HD2 LYS 101 1HD LYS 101 12.362 9.556 9.501 789 HD3 LYS 101 2HD LYS 101 13.266 11.041 9.809 790 HE2 LYS 101 1HE LYS 101 10.817 12.055 9.921 791 HE3 LYS 101 2HE LYS 101 10.418 10.393 10.353 792 HZ1 LYS 101 1HZ LYS 101 12.133 12.313 11.789 793 HZ2 LYS 101 2HZ LYS 101 12.330 10.650 12.025 794 HZ3 LYS 101 3HZ LYS 101 10.848 11.384 12.380 795 H LEU 102 H LEU 102 12.470 10.149 3.603 796 HA LEU 102 HA LEU 102 13.932 7.697 4.322 797 HB2 LEU 102 1HB LEU 102 12.808 8.389 1.612 798 HB3 LEU 102 2HB LEU 102 13.787 6.973 1.989 799 HG LEU 102 HG LEU 102 11.116 7.476 3.279 800 HD11 LEU 102 1HD1 LEU 102 10.148 5.966 1.629 801 HD12 LEU 102 2HD1 LEU 102 11.688 5.899 0.774 802 HD13 LEU 102 3HD1 LEU 102 10.793 7.416 0.861 803 HD21 LEU 102 1HD2 LEU 102 12.807 5.006 2.906 804 HD22 LEU 102 2HD2 LEU 102 11.208 5.048 3.650 805 HD23 LEU 102 3HD2 LEU 102 12.559 5.889 4.413 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 19.144 12.677 -16.176 2 HA2 GLY 1 1HA GLY 1 18.433 13.318 -13.521 3 HA3 GLY 1 2HA GLY 1 18.118 14.706 -14.551 4 H SER 2 H SER 2 16.014 13.647 -13.279 5 HA SER 2 HA SER 2 14.699 11.685 -14.954 6 HB2 SER 2 1HB SER 2 14.452 11.785 -12.436 7 HB3 SER 2 2HB SER 2 13.494 13.247 -12.664 8 HG SER 2 HG SER 2 12.894 10.771 -13.907 9 H SER 3 H SER 3 12.254 12.247 -15.397 10 HA SER 3 HA SER 3 11.742 14.974 -16.150 11 HB2 SER 3 1HB SER 3 11.610 14.653 -18.535 12 HB3 SER 3 2HB SER 3 13.208 14.129 -18.007 13 HG SER 3 HG SER 3 12.632 12.427 -19.146 14 H GLY 4 H GLY 4 9.600 15.370 -16.203 15 HA2 GLY 4 1HA GLY 4 7.822 13.088 -15.762 16 HA3 GLY 4 2HA GLY 4 7.439 14.776 -15.457 17 H SER 5 H SER 5 7.760 12.310 -17.936 18 HA SER 5 HA SER 5 6.194 14.020 -19.755 19 HB2 SER 5 1HB SER 5 8.068 11.753 -20.474 20 HB3 SER 5 2HB SER 5 7.171 12.754 -21.615 21 HG SER 5 HG SER 5 8.438 14.460 -21.139 22 H SER 6 H SER 6 4.510 13.062 -20.956 23 HA SER 6 HA SER 6 3.383 10.677 -19.668 24 HB2 SER 6 1HB SER 6 1.226 11.421 -20.447 25 HB3 SER 6 2HB SER 6 2.037 12.797 -19.699 26 HG SER 6 HG SER 6 1.051 12.652 -22.129 27 H GLY 7 H GLY 7 3.682 8.821 -20.699 28 HA2 GLY 7 1HA GLY 7 2.789 8.175 -23.207 29 HA3 GLY 7 2HA GLY 7 4.442 8.714 -23.462 30 H ARG 8 H ARG 8 6.161 7.496 -22.623 31 HA ARG 8 HA ARG 8 5.871 4.732 -22.721 32 HB2 ARG 8 1HB ARG 8 8.008 5.943 -23.050 33 HB3 ARG 8 2HB ARG 8 8.056 6.285 -21.325 34 HG2 ARG 8 1HG ARG 8 9.426 4.462 -21.437 35 HG3 ARG 8 2HG ARG 8 7.876 3.681 -21.116 36 HD2 ARG 8 1HD ARG 8 7.621 3.030 -23.363 37 HD3 ARG 8 2HD ARG 8 8.891 4.125 -23.907 38 HE ARG 8 HE ARG 8 10.219 2.455 -22.265 39 HH11 ARG 8 1HH1 ARG 8 8.032 1.911 -24.918 40 HH12 ARG 8 2HH1 ARG 8 8.763 0.411 -25.385 41 HH21 ARG 8 1HH2 ARG 8 11.191 0.481 -22.869 42 HH22 ARG 8 2HH2 ARG 8 10.560 -0.401 -24.218 43 H PHE 9 H PHE 9 4.910 3.391 -21.359 44 HA PHE 9 HA PHE 9 4.341 4.198 -18.641 45 HB2 PHE 9 1HB PHE 9 3.600 1.801 -20.308 46 HB3 PHE 9 2HB PHE 9 3.243 1.873 -18.585 47 HD1 PHE 9 HD2 PHE 9 2.693 3.676 -21.783 48 HD2 PHE 9 HD1 PHE 9 1.320 2.931 -17.823 49 HE1 PHE 9 HE2 PHE 9 0.627 4.920 -22.269 50 HE2 PHE 9 HE1 PHE 9 -0.749 4.173 -18.304 51 HZ PHE 9 HZ PHE 9 -1.097 5.171 -20.528 52 H THR 10 H THR 10 6.403 4.256 -17.694 53 HA THR 10 HA THR 10 7.510 1.595 -17.099 54 HB THR 10 HB THR 10 9.212 4.059 -17.498 55 HG1 THR 10 HG1 THR 10 9.687 3.255 -19.514 56 HG21 THR 10 1HG2 THR 10 9.815 1.147 -17.023 57 HG22 THR 10 2HG2 THR 10 10.312 2.536 -16.056 58 HG23 THR 10 3HG2 THR 10 11.012 2.277 -17.653 59 H TRP 11 H TRP 11 8.372 1.318 -15.034 60 HA TRP 11 HA TRP 11 7.233 3.018 -13.019 61 HB2 TRP 11 1HB TRP 11 8.735 0.442 -13.053 62 HB3 TRP 11 2HB TRP 11 8.721 1.367 -11.554 63 HD1 TRP 11 HD1 TRP 11 5.802 0.767 -14.041 64 HE1 TRP 11 HE1 TRP 11 3.844 -0.265 -12.726 65 HE3 TRP 11 HE3 TRP 11 8.041 0.326 -9.467 66 HZ2 TRP 11 HZ2 TRP 11 3.319 -1.149 -10.097 67 HZ3 TRP 11 HZ3 TRP 11 6.742 -0.623 -7.604 68 HH2 TRP 11 HH2 TRP 11 4.430 -1.343 -7.915 69 H SER 12 H SER 12 8.258 5.016 -13.255 70 HA SER 12 HA SER 12 11.003 5.082 -12.211 71 HB2 SER 12 1HB SER 12 11.504 6.966 -13.775 72 HB3 SER 12 2HB SER 12 11.226 5.431 -14.597 73 HG SER 12 HG SER 12 9.775 6.484 -15.680 74 H MET 13 H MET 13 11.566 7.012 -11.087 75 HA MET 13 HA MET 13 9.738 9.138 -10.672 76 HB2 MET 13 1HB MET 13 8.600 7.307 -9.400 77 HB3 MET 13 2HB MET 13 10.012 7.216 -8.357 78 HG2 MET 13 1HG MET 13 9.649 9.586 -7.740 79 HG3 MET 13 2HG MET 13 8.166 9.566 -8.692 80 HE1 MET 13 1HE MET 13 10.119 7.565 -6.088 81 HE2 MET 13 2HE MET 13 8.888 6.916 -5.005 82 HE3 MET 13 3HE MET 13 9.092 6.234 -6.619 83 H LYS 14 H LYS 14 10.519 10.688 -9.061 84 HA LYS 14 HA LYS 14 13.389 10.833 -9.101 85 HB2 LYS 14 1HB LYS 14 11.238 12.641 -8.010 86 HB3 LYS 14 2HB LYS 14 12.950 12.986 -7.801 87 HG2 LYS 14 1HG LYS 14 13.213 12.970 -10.259 88 HG3 LYS 14 2HG LYS 14 11.469 12.742 -10.412 89 HD2 LYS 14 1HD LYS 14 11.122 14.857 -9.180 90 HD3 LYS 14 2HD LYS 14 12.871 15.091 -9.136 91 HE2 LYS 14 1HE LYS 14 12.171 16.374 -10.958 92 HE3 LYS 14 2HE LYS 14 12.768 14.884 -11.688 93 HZ1 LYS 14 1HZ LYS 14 9.979 15.784 -11.350 94 HZ2 LYS 14 2HZ LYS 14 10.334 14.143 -11.549 95 HZ3 LYS 14 3HZ LYS 14 10.761 15.252 -12.753 96 H THR 15 H THR 15 10.933 10.736 -6.522 97 HA THR 15 HA THR 15 12.609 10.706 -4.326 98 HB THR 15 HB THR 15 10.089 9.055 -4.491 99 HG1 THR 15 HG1 THR 15 8.937 10.878 -4.368 100 HG21 THR 15 1HG2 THR 15 10.332 8.831 -2.288 101 HG22 THR 15 2HG2 THR 15 10.438 10.580 -2.090 102 HG23 THR 15 3HG2 THR 15 11.895 9.638 -2.405 103 H THR 16 H THR 16 14.449 9.482 -4.551 104 HA THR 16 HA THR 16 14.073 6.570 -4.807 105 HB THR 16 HB THR 16 16.496 6.504 -5.446 106 HG1 THR 16 HG1 THR 16 17.587 8.365 -5.753 107 HG21 THR 16 1HG2 THR 16 15.846 8.047 -7.644 108 HG22 THR 16 2HG2 THR 16 14.275 7.554 -7.011 109 HG23 THR 16 3HG2 THR 16 15.478 6.336 -7.433 110 H SER 17 H SER 17 14.582 5.314 -3.130 111 HA SER 17 HA SER 17 15.908 6.564 -0.826 112 HB2 SER 17 1HB SER 17 13.723 5.690 -0.289 113 HB3 SER 17 2HB SER 17 14.116 4.133 -1.018 114 HG SER 17 HG SER 17 14.328 4.563 1.430 115 H SER 18 H SER 18 17.399 5.244 0.437 116 HA SER 18 HA SER 18 18.984 3.480 -1.305 117 HB2 SER 18 1HB SER 18 20.889 4.034 0.198 118 HB3 SER 18 2HB SER 18 20.210 5.456 -0.594 119 HG SER 18 HG SER 18 20.147 4.702 2.087 120 H MET 19 H MET 19 18.028 3.896 2.101 121 HA MET 19 HA MET 19 18.929 1.628 3.255 122 HB2 MET 19 1HB MET 19 16.865 1.643 4.668 123 HB3 MET 19 2HB MET 19 17.657 3.207 4.536 124 HG2 MET 19 1HG MET 19 15.943 3.492 2.540 125 HG3 MET 19 2HG MET 19 15.041 2.305 3.480 126 HE1 MET 19 1HE MET 19 12.981 3.903 5.284 127 HE2 MET 19 2HE MET 19 14.001 2.465 5.322 128 HE3 MET 19 3HE MET 19 14.122 3.666 6.608 129 H ASP 20 H ASP 20 17.903 -0.449 3.751 130 HA ASP 20 HA ASP 20 17.335 -1.951 1.497 131 HB2 ASP 20 1HB ASP 20 16.921 -2.388 4.427 132 HB3 ASP 20 2HB ASP 20 16.236 -3.542 3.287 133 HA PRO 21 HA PRO 21 13.116 -1.328 0.475 134 HB2 PRO 21 1HB PRO 21 12.351 -3.820 -0.283 135 HB3 PRO 21 2HB PRO 21 13.427 -2.808 -1.254 136 HG2 PRO 21 1HG PRO 21 14.106 -5.048 0.612 137 HG3 PRO 21 2HG PRO 21 14.766 -4.692 -0.995 138 HD2 PRO 21 1HD PRO 21 16.069 -4.050 1.291 139 HD3 PRO 21 2HD PRO 21 16.195 -3.074 -0.187 140 H SER 22 H SER 22 13.880 -3.858 2.779 141 HA SER 22 HA SER 22 11.240 -4.415 3.622 142 HB2 SER 22 1HB SER 22 13.257 -5.854 4.063 143 HB3 SER 22 2HB SER 22 13.758 -4.678 5.278 144 HG SER 22 HG SER 22 12.282 -6.672 5.766 145 H ASP 23 H ASP 23 13.551 -1.945 4.473 146 HA ASP 23 HA ASP 23 12.122 -1.070 6.813 147 HB2 ASP 23 1HB ASP 23 14.451 0.036 5.253 148 HB3 ASP 23 2HB ASP 23 13.716 0.932 6.580 149 H MET 24 H MET 24 12.252 -0.209 3.421 150 HA MET 24 HA MET 24 11.086 2.287 3.416 151 HB2 MET 24 1HB MET 24 11.084 -0.001 1.508 152 HB3 MET 24 2HB MET 24 9.966 1.322 1.206 153 HG2 MET 24 1HG MET 24 12.803 1.989 1.762 154 HG3 MET 24 2HG MET 24 12.399 1.289 0.196 155 HE1 MET 24 1HE MET 24 10.174 2.410 -1.238 156 HE2 MET 24 2HE MET 24 10.753 3.995 -1.750 157 HE3 MET 24 3HE MET 24 11.854 2.616 -1.733 158 H MET 25 H MET 25 9.447 -0.869 3.434 159 HA MET 25 HA MET 25 6.821 0.011 3.321 160 HB2 MET 25 1HB MET 25 8.105 -2.394 4.582 161 HB3 MET 25 2HB MET 25 6.372 -2.128 4.717 162 HG2 MET 25 1HG MET 25 6.584 -1.836 2.098 163 HG3 MET 25 2HG MET 25 8.008 -2.842 2.353 164 HE1 MET 25 1HE MET 25 3.685 -3.845 3.354 165 HE2 MET 25 2HE MET 25 4.421 -2.265 3.088 166 HE3 MET 25 3HE MET 25 4.019 -3.293 1.712 167 H ARG 26 H ARG 26 9.021 -0.151 6.056 168 HA ARG 26 HA ARG 26 7.195 0.234 8.133 169 HB2 ARG 26 1HB ARG 26 9.712 -0.300 8.239 170 HB3 ARG 26 2HB ARG 26 9.951 1.439 8.129 171 HG2 ARG 26 1HG ARG 26 9.112 1.830 10.220 172 HG3 ARG 26 2HG ARG 26 8.095 0.387 10.200 173 HD2 ARG 26 1HD ARG 26 10.374 -0.877 10.174 174 HD3 ARG 26 2HD ARG 26 11.014 0.647 10.789 175 HE ARG 26 HE ARG 26 8.784 -0.064 12.323 176 HH11 ARG 26 1HH1 ARG 26 12.032 -1.147 11.696 177 HH12 ARG 26 2HH1 ARG 26 12.237 -1.859 13.262 178 HH21 ARG 26 1HH2 ARG 26 9.041 -0.998 14.388 179 HH22 ARG 26 2HH2 ARG 26 10.534 -1.774 14.792 180 H GLU 27 H GLU 27 9.053 2.643 6.284 181 HA GLU 27 HA GLU 27 8.052 4.916 7.574 182 HB2 GLU 27 1HB GLU 27 9.315 4.399 4.916 183 HB3 GLU 27 2HB GLU 27 8.582 5.969 5.212 184 HG2 GLU 27 1HG GLU 27 10.866 4.687 6.677 185 HG3 GLU 27 2HG GLU 27 10.871 6.176 5.734 186 H ILE 28 H ILE 28 6.908 3.224 4.674 187 HA ILE 28 HA ILE 28 4.912 4.897 3.827 188 HB ILE 28 HB ILE 28 4.761 1.883 3.951 189 HG12 ILE 28 1HG1 ILE 28 5.741 3.720 1.755 190 HG13 ILE 28 2HG1 ILE 28 6.765 2.726 2.787 191 HG21 ILE 28 1HG2 ILE 28 2.595 3.065 3.549 192 HG22 ILE 28 2HG2 ILE 28 3.309 3.754 2.092 193 HG23 ILE 28 3HG2 ILE 28 3.108 2.008 2.234 194 HD11 ILE 28 1HD1 ILE 28 6.637 1.222 1.156 195 HD12 ILE 28 2HD1 ILE 28 5.008 0.900 1.752 196 HD13 ILE 28 3HD1 ILE 28 5.251 2.017 0.409 197 H ARG 29 H ARG 29 4.604 2.343 6.291 198 HA ARG 29 HA ARG 29 1.905 3.032 6.929 199 HB2 ARG 29 1HB ARG 29 3.956 1.276 8.270 200 HB3 ARG 29 2HB ARG 29 2.347 1.523 8.935 201 HG2 ARG 29 1HG ARG 29 1.318 0.498 7.063 202 HG3 ARG 29 2HG ARG 29 2.830 0.495 6.153 203 HD2 ARG 29 1HD ARG 29 2.591 -0.954 8.766 204 HD3 ARG 29 2HD ARG 29 2.043 -1.697 7.264 205 HE ARG 29 HE ARG 29 4.524 -0.963 6.614 206 HH11 ARG 29 1HH1 ARG 29 3.282 -2.599 9.425 207 HH12 ARG 29 2HH1 ARG 29 4.737 -3.496 9.706 208 HH21 ARG 29 1HH2 ARG 29 6.445 -2.139 6.974 209 HH22 ARG 29 2HH2 ARG 29 6.536 -3.234 8.312 210 H LYS 30 H LYS 30 4.982 3.401 8.691 211 HA LYS 30 HA LYS 30 4.154 4.699 10.936 212 HB2 LYS 30 1HB LYS 30 6.460 4.174 10.710 213 HB3 LYS 30 2HB LYS 30 6.615 5.148 9.254 214 HG2 LYS 30 1HG LYS 30 6.014 7.135 10.770 215 HG3 LYS 30 2HG LYS 30 6.405 6.043 12.101 216 HD2 LYS 30 1HD LYS 30 8.639 5.880 11.473 217 HD3 LYS 30 2HD LYS 30 8.314 6.412 9.822 218 HE2 LYS 30 1HE LYS 30 8.136 8.133 12.294 219 HE3 LYS 30 2HE LYS 30 9.466 8.136 11.136 220 HZ1 LYS 30 1HZ LYS 30 7.995 9.944 10.656 221 HZ2 LYS 30 2HZ LYS 30 6.652 8.918 10.602 222 HZ3 LYS 30 3HZ LYS 30 7.853 8.802 9.416 223 H VAL 31 H VAL 31 5.115 6.358 7.925 224 HA VAL 31 HA VAL 31 4.372 8.932 8.723 225 HB VAL 31 HB VAL 31 4.429 7.778 5.931 226 HG11 VAL 31 1HG1 VAL 31 3.144 9.980 6.391 227 HG12 VAL 31 2HG1 VAL 31 4.752 10.678 6.592 228 HG13 VAL 31 3HG1 VAL 31 4.302 9.922 5.063 229 HG21 VAL 31 1HG2 VAL 31 6.631 9.247 6.042 230 HG22 VAL 31 2HG2 VAL 31 6.502 8.867 7.759 231 HG23 VAL 31 3HG2 VAL 31 6.608 7.565 6.573 232 H LEU 32 H LEU 32 2.605 6.888 6.391 233 HA LEU 32 HA LEU 32 0.326 8.217 6.022 234 HB2 LEU 32 1HB LEU 32 0.711 5.293 6.564 235 HB3 LEU 32 2HB LEU 32 -0.878 5.950 6.173 236 HG LEU 32 HG LEU 32 1.526 6.238 4.379 237 HD11 LEU 32 1HD1 LEU 32 -0.703 4.297 3.917 238 HD12 LEU 32 2HD1 LEU 32 0.705 3.842 4.875 239 HD13 LEU 32 3HD1 LEU 32 0.906 4.344 3.197 240 HD21 LEU 32 1HD2 LEU 32 -1.353 6.387 3.580 241 HD22 LEU 32 2HD2 LEU 32 0.067 7.062 2.780 242 HD23 LEU 32 3HD2 LEU 32 -0.540 7.794 4.266 243 H GLY 33 H GLY 33 0.372 5.785 8.631 244 HA2 GLY 33 1HA GLY 33 -1.859 6.334 9.990 245 HA3 GLY 33 2HA GLY 33 -0.354 5.998 10.833 246 H ALA 34 H ALA 34 1.150 8.122 10.685 247 HA ALA 34 HA ALA 34 0.281 9.913 12.523 248 HB1 ALA 34 1HB ALA 34 2.381 9.886 10.514 249 HB2 ALA 34 2HB ALA 34 1.833 11.516 10.905 250 HB3 ALA 34 3HB ALA 34 2.418 10.452 12.184 251 H ASN 35 H ASN 35 -0.172 10.169 9.016 252 HA ASN 35 HA ASN 35 -1.682 12.627 9.296 253 HB2 ASN 35 1HB ASN 35 -1.194 10.941 6.830 254 HB3 ASN 35 2HB ASN 35 -1.835 12.581 6.862 255 HD21 ASN 35 1HD2 ASN 35 0.977 10.597 7.130 256 HD22 ASN 35 2HD2 ASN 35 2.139 11.876 7.121 257 H ASN 36 H ASN 36 -2.861 10.577 10.726 258 HA ASN 36 HA ASN 36 -4.729 9.233 10.906 259 HB2 ASN 36 1HB ASN 36 -5.586 11.896 9.840 260 HB3 ASN 36 2HB ASN 36 -6.794 10.636 10.071 261 HD21 ASN 36 1HD2 ASN 36 -5.809 13.278 11.445 262 HD22 ASN 36 2HD2 ASN 36 -5.914 12.874 13.121 263 H CYS 37 H CYS 37 -3.224 8.798 8.427 264 HA CYS 37 HA CYS 37 -5.236 8.337 6.393 265 HB2 CYS 37 1HB CYS 37 -2.257 8.009 6.535 266 HB3 CYS 37 2HB CYS 37 -3.167 7.233 5.245 267 HG CYS 37 HG CYS 37 -3.217 10.600 5.857 268 H ASP 38 H ASP 38 -6.066 6.392 5.783 269 HA ASP 38 HA ASP 38 -5.674 4.186 7.654 270 HB2 ASP 38 1HB ASP 38 -7.961 5.169 6.744 271 HB3 ASP 38 2HB ASP 38 -7.646 4.054 5.416 272 H TYR 39 H TYR 39 -4.470 2.473 7.185 273 HA TYR 39 HA TYR 39 -3.829 1.943 4.358 274 HB2 TYR 39 1HB TYR 39 -1.659 0.989 5.247 275 HB3 TYR 39 2HB TYR 39 -1.828 2.737 5.373 276 HD1 TYR 39 HD1 TYR 39 -2.141 3.803 7.551 277 HD2 TYR 39 HD2 TYR 39 -1.606 -0.405 7.219 278 HE1 TYR 39 HE1 TYR 39 -1.671 3.678 9.962 279 HE2 TYR 39 HE2 TYR 39 -1.135 -0.541 9.629 280 HH TYR 39 HH TYR 39 -1.509 0.692 11.651 281 H GLU 40 H GLU 40 -4.297 -0.025 3.613 282 HA GLU 40 HA GLU 40 -4.884 -2.148 5.572 283 HB2 GLU 40 1HB GLU 40 -6.875 -1.151 4.326 284 HB3 GLU 40 2HB GLU 40 -6.211 -1.893 2.877 285 HG2 GLU 40 1HG GLU 40 -7.799 -3.414 3.632 286 HG3 GLU 40 2HG GLU 40 -6.262 -4.083 4.179 287 H GLN 41 H GLN 41 -3.855 -4.033 5.315 288 HA GLN 41 HA GLN 41 -1.758 -4.265 3.415 289 HB2 GLN 41 1HB GLN 41 -2.869 -5.931 5.600 290 HB3 GLN 41 2HB GLN 41 -1.971 -6.780 4.349 291 HG2 GLN 41 1HG GLN 41 -0.735 -4.351 5.506 292 HG3 GLN 41 2HG GLN 41 -0.814 -5.792 6.518 293 HE21 GLN 41 1HE2 GLN 41 -0.437 -5.645 3.024 294 HE22 GLN 41 2HE2 GLN 41 1.135 -6.360 2.978 295 H ARG 42 H ARG 42 -1.963 -4.767 1.346 296 HA ARG 42 HA ARG 42 -4.251 -6.416 0.509 297 HB2 ARG 42 1HB ARG 42 -2.599 -4.369 -0.966 298 HB3 ARG 42 2HB ARG 42 -3.690 -5.474 -1.792 299 HG2 ARG 42 1HG ARG 42 -4.708 -3.793 0.453 300 HG3 ARG 42 2HG ARG 42 -4.490 -3.090 -1.151 301 HD2 ARG 42 1HD ARG 42 -6.004 -4.649 -2.125 302 HD3 ARG 42 2HD ARG 42 -6.059 -5.609 -0.648 303 HE ARG 42 HE ARG 42 -6.965 -3.172 0.133 304 HH11 ARG 42 1HH1 ARG 42 -7.857 -5.393 -2.395 305 HH12 ARG 42 2HH1 ARG 42 -9.524 -4.921 -2.401 306 HH21 ARG 42 1HH2 ARG 42 -9.157 -2.541 0.135 307 HH22 ARG 42 2HH2 ARG 42 -10.262 -3.298 -0.962 308 H GLU 43 H GLU 43 -0.928 -5.782 -0.634 309 HA GLU 43 HA GLU 43 -0.681 -8.667 -1.184 310 HB2 GLU 43 1HB GLU 43 0.907 -6.477 -2.518 311 HB3 GLU 43 2HB GLU 43 0.784 -8.164 -2.998 312 HG2 GLU 43 1HG GLU 43 -1.390 -6.090 -3.138 313 HG3 GLU 43 2HG GLU 43 -0.509 -6.797 -4.491 314 H ARG 44 H ARG 44 1.915 -9.054 -1.481 315 HA ARG 44 HA ARG 44 2.926 -9.060 1.145 316 HB2 ARG 44 1HB ARG 44 3.670 -10.764 -0.333 317 HB3 ARG 44 2HB ARG 44 4.209 -9.592 -1.529 318 HG2 ARG 44 1HG ARG 44 6.150 -10.445 -0.501 319 HG3 ARG 44 2HG ARG 44 5.913 -8.824 0.155 320 HD2 ARG 44 1HD ARG 44 6.437 -10.137 2.020 321 HD3 ARG 44 2HD ARG 44 4.682 -9.976 2.075 322 HE ARG 44 HE ARG 44 5.267 -12.302 0.662 323 HH11 ARG 44 1HH1 ARG 44 5.646 -11.034 3.882 324 HH12 ARG 44 2HH1 ARG 44 5.567 -12.588 4.644 325 HH21 ARG 44 1HH2 ARG 44 5.161 -14.353 1.653 326 HH22 ARG 44 2HH2 ARG 44 5.292 -14.476 3.375 327 H PHE 45 H PHE 45 3.413 -6.892 -1.571 328 HA PHE 45 HA PHE 45 4.874 -5.079 0.222 329 HB2 PHE 45 1HB PHE 45 5.707 -6.104 -2.447 330 HB3 PHE 45 2HB PHE 45 6.057 -4.419 -2.076 331 HD1 PHE 45 HD2 PHE 45 7.383 -3.904 0.018 332 HD2 PHE 45 HD1 PHE 45 7.050 -7.820 -1.616 333 HE1 PHE 45 HE2 PHE 45 9.382 -4.594 1.275 334 HE2 PHE 45 HE1 PHE 45 9.048 -8.517 -0.361 335 HZ PHE 45 HZ PHE 45 10.218 -6.903 1.086 336 H LEU 46 H LEU 46 2.104 -5.073 -0.421 337 HA LEU 46 HA LEU 46 1.939 -2.479 -1.790 338 HB2 LEU 46 1HB LEU 46 1.219 -4.293 -3.312 339 HB3 LEU 46 2HB LEU 46 -0.020 -4.743 -2.143 340 HG LEU 46 HG LEU 46 -0.769 -2.237 -2.481 341 HD11 LEU 46 1HD1 LEU 46 -0.482 -1.691 -4.941 342 HD12 LEU 46 2HD1 LEU 46 0.829 -2.870 -4.945 343 HD13 LEU 46 3HD1 LEU 46 0.926 -1.448 -3.908 344 HD21 LEU 46 1HD2 LEU 46 -1.318 -4.444 -4.463 345 HD22 LEU 46 2HD2 LEU 46 -2.310 -3.004 -4.230 346 HD23 LEU 46 3HD2 LEU 46 -2.151 -4.186 -2.929 347 H LEU 47 H LEU 47 0.341 -1.077 -1.038 348 HA LEU 47 HA LEU 47 -1.358 -1.939 1.163 349 HB2 LEU 47 1HB LEU 47 0.713 0.234 1.415 350 HB3 LEU 47 2HB LEU 47 -0.614 0.001 2.551 351 HG LEU 47 HG LEU 47 1.489 -2.085 1.997 352 HD11 LEU 47 1HD1 LEU 47 2.511 -1.396 4.106 353 HD12 LEU 47 2HD1 LEU 47 1.369 -0.058 4.226 354 HD13 LEU 47 3HD1 LEU 47 2.549 -0.095 2.916 355 HD21 LEU 47 1HD2 LEU 47 -0.986 -2.235 3.257 356 HD22 LEU 47 2HD2 LEU 47 0.182 -2.119 4.574 357 HD23 LEU 47 3HD2 LEU 47 0.333 -3.399 3.370 358 H PHE 48 H PHE 48 -3.214 -0.753 1.369 359 HA PHE 48 HA PHE 48 -3.737 1.155 -0.776 360 HB2 PHE 48 1HB PHE 48 -5.277 -0.801 -0.258 361 HB3 PHE 48 2HB PHE 48 -5.729 0.061 1.209 362 HD1 PHE 48 HD2 PHE 48 -5.486 0.593 -2.472 363 HD2 PHE 48 HD1 PHE 48 -7.546 1.468 1.149 364 HE1 PHE 48 HE2 PHE 48 -7.172 1.857 -3.741 365 HE2 PHE 48 HE1 PHE 48 -9.236 2.732 -0.115 366 HZ PHE 48 HZ PHE 48 -9.050 2.930 -2.563 367 H CYS 49 H CYS 49 -3.204 3.191 -0.311 368 HA CYS 49 HA CYS 49 -3.417 4.201 2.402 369 HB2 CYS 49 1HB CYS 49 -2.458 5.524 -0.144 370 HB3 CYS 49 2HB CYS 49 -2.395 6.255 1.455 371 HG CYS 49 HG CYS 49 -0.493 3.757 0.176 372 H VAL 50 H VAL 50 -4.806 5.783 3.100 373 HA VAL 50 HA VAL 50 -6.718 6.926 1.214 374 HB VAL 50 HB VAL 50 -7.576 5.369 3.657 375 HG11 VAL 50 1HG1 VAL 50 -9.136 7.041 3.630 376 HG12 VAL 50 2HG1 VAL 50 -8.987 7.305 1.892 377 HG13 VAL 50 3HG1 VAL 50 -9.882 5.911 2.500 378 HG21 VAL 50 1HG2 VAL 50 -8.938 4.234 1.686 379 HG22 VAL 50 2HG2 VAL 50 -7.556 4.791 0.743 380 HG23 VAL 50 3HG2 VAL 50 -7.309 3.710 2.114 381 H HIS 51 H HIS 51 -7.403 8.936 1.766 382 HA HIS 51 HA HIS 51 -7.001 9.919 4.476 383 HB2 HIS 51 1HB HIS 51 -4.881 10.304 3.078 384 HB3 HIS 51 2HB HIS 51 -5.835 11.479 2.179 385 HD1 HIS 51 HD1 HIS 51 -5.198 13.731 2.953 386 HD2 HIS 51 HD2 HIS 51 -5.411 11.027 6.100 387 HE1 HIS 51 HE1 HIS 51 -4.724 15.073 5.027 388 HE2 HIS 51 HE2 HIS 51 -4.774 13.400 6.908 389 H GLY 52 H GLY 52 -8.248 11.734 4.990 390 HA2 GLY 52 1HA GLY 52 -10.316 12.364 2.979 391 HA3 GLY 52 2HA GLY 52 -10.577 12.384 4.717 392 H ASP 53 H ASP 53 -7.707 13.716 3.232 393 HA ASP 53 HA ASP 53 -7.518 16.051 4.515 394 HB2 ASP 53 1HB ASP 53 -5.805 15.701 2.991 395 HB3 ASP 53 2HB ASP 53 -6.915 15.357 1.667 396 H GLY 54 H GLY 54 -9.463 15.654 1.553 397 HA2 GLY 54 1HA GLY 54 -10.710 18.257 2.059 398 HA3 GLY 54 2HA GLY 54 -10.837 17.321 0.578 399 H HIS 55 H HIS 55 -13.094 17.532 0.546 400 HA HIS 55 HA HIS 55 -14.701 16.657 2.754 401 HB2 HIS 55 1HB HIS 55 -15.263 17.531 -0.059 402 HB3 HIS 55 2HB HIS 55 -16.531 16.765 0.893 403 HD1 HIS 55 HD1 HIS 55 -18.025 18.550 1.710 404 HD2 HIS 55 HD2 HIS 55 -14.031 19.674 1.913 405 HE1 HIS 55 HE1 HIS 55 -18.021 20.826 2.779 406 HE2 HIS 55 HE2 HIS 55 -15.601 21.522 2.814 407 H ALA 56 H ALA 56 -16.451 14.968 2.346 408 HA ALA 56 HA ALA 56 -15.233 12.465 1.954 409 HB1 ALA 56 1HB ALA 56 -18.173 13.138 1.961 410 HB2 ALA 56 2HB ALA 56 -17.474 11.533 2.177 411 HB3 ALA 56 3HB ALA 56 -17.191 12.788 3.384 412 H GLU 57 H GLU 57 -17.531 14.262 -0.090 413 HA GLU 57 HA GLU 57 -17.698 12.401 -2.166 414 HB2 GLU 57 1HB GLU 57 -19.161 14.425 -1.826 415 HB3 GLU 57 2HB GLU 57 -17.853 15.400 -2.480 416 HG2 GLU 57 1HG GLU 57 -19.302 15.050 -4.274 417 HG3 GLU 57 2HG GLU 57 -17.978 13.916 -4.536 418 H ASN 58 H ASN 58 -15.127 14.451 -1.244 419 HA ASN 58 HA ASN 58 -13.789 14.027 -3.833 420 HB2 ASN 58 1HB ASN 58 -13.373 16.149 -1.722 421 HB3 ASN 58 2HB ASN 58 -12.271 15.902 -3.074 422 HD21 ASN 58 1HD2 ASN 58 -15.793 16.066 -2.638 423 HD22 ASN 58 2HD2 ASN 58 -16.066 17.198 -3.914 424 H LEU 59 H LEU 59 -13.958 12.015 -1.795 425 HA LEU 59 HA LEU 59 -11.625 11.896 -0.213 426 HB2 LEU 59 1HB LEU 59 -13.840 10.495 -0.179 427 HB3 LEU 59 2HB LEU 59 -12.937 9.426 -1.251 428 HG LEU 59 HG LEU 59 -12.935 8.789 1.180 429 HD11 LEU 59 1HD1 LEU 59 -10.839 8.787 -0.726 430 HD12 LEU 59 2HD1 LEU 59 -11.137 7.644 0.584 431 HD13 LEU 59 3HD1 LEU 59 -10.127 9.063 0.865 432 HD21 LEU 59 1HD2 LEU 59 -12.655 11.239 1.888 433 HD22 LEU 59 2HD2 LEU 59 -10.942 11.001 1.541 434 HD23 LEU 59 3HD2 LEU 59 -11.740 10.013 2.766 435 H VAL 60 H VAL 60 -9.628 11.030 -0.564 436 HA VAL 60 HA VAL 60 -9.018 10.251 -3.340 437 HB VAL 60 HB VAL 60 -7.372 11.718 -1.296 438 HG11 VAL 60 1HG1 VAL 60 -5.539 11.526 -3.105 439 HG12 VAL 60 2HG1 VAL 60 -5.787 10.171 -2.002 440 HG13 VAL 60 3HG1 VAL 60 -6.437 10.107 -3.641 441 HG21 VAL 60 1HG2 VAL 60 -8.426 12.269 -4.037 442 HG22 VAL 60 2HG2 VAL 60 -8.503 13.267 -2.585 443 HG23 VAL 60 3HG2 VAL 60 -6.983 13.106 -3.465 444 H GLN 61 H GLN 61 -8.041 8.342 -3.726 445 HA GLN 61 HA GLN 61 -6.918 6.837 -1.480 446 HB2 GLN 61 1HB GLN 61 -9.057 5.847 -3.363 447 HB3 GLN 61 2HB GLN 61 -8.075 4.773 -2.377 448 HG2 GLN 61 1HG GLN 61 -8.941 5.735 -0.360 449 HG3 GLN 61 2HG GLN 61 -9.804 6.973 -1.273 450 HE21 GLN 61 1HE2 GLN 61 -10.851 5.033 0.605 451 HE22 GLN 61 2HE2 GLN 61 -12.020 4.097 -0.258 452 H TRP 62 H TRP 62 -4.956 6.151 -1.989 453 HA TRP 62 HA TRP 62 -4.403 5.305 -4.741 454 HB2 TRP 62 1HB TRP 62 -2.358 6.555 -4.861 455 HB3 TRP 62 2HB TRP 62 -3.640 7.676 -4.411 456 HD1 TRP 62 HD1 TRP 62 -0.288 6.477 -3.324 457 HE1 TRP 62 HE1 TRP 62 0.332 7.519 -1.053 458 HE3 TRP 62 HE3 TRP 62 -4.846 8.407 -2.044 459 HZ2 TRP 62 HZ2 TRP 62 -0.943 8.967 1.008 460 HZ3 TRP 62 HZ3 TRP 62 -5.061 9.606 0.094 461 HH2 TRP 62 HH2 TRP 62 -3.149 9.878 1.587 462 H GLU 63 H GLU 63 -2.748 3.766 -4.956 463 HA GLU 63 HA GLU 63 -2.181 2.314 -2.479 464 HB2 GLU 63 1HB GLU 63 -2.162 1.545 -5.385 465 HB3 GLU 63 2HB GLU 63 -1.370 0.542 -4.177 466 HG2 GLU 63 1HG GLU 63 -3.499 0.332 -2.976 467 HG3 GLU 63 2HG GLU 63 -4.283 1.298 -4.224 468 H MET 64 H MET 64 0.000 1.163 -2.446 469 HA MET 64 HA MET 64 2.160 2.612 -3.732 470 HB2 MET 64 1HB MET 64 1.752 2.615 -0.742 471 HB3 MET 64 2HB MET 64 3.298 2.975 -1.498 472 HG2 MET 64 1HG MET 64 2.423 4.913 -2.555 473 HG3 MET 64 2HG MET 64 0.774 4.487 -2.102 474 HE1 MET 64 1HE MET 64 3.648 6.720 -1.350 475 HE2 MET 64 2HE MET 64 3.895 6.658 0.396 476 HE3 MET 64 3HE MET 64 4.335 5.275 -0.607 477 H GLU 65 H GLU 65 3.763 1.259 -4.239 478 HA GLU 65 HA GLU 65 4.141 -1.171 -2.640 479 HB2 GLU 65 1HB GLU 65 2.878 -2.068 -4.392 480 HB3 GLU 65 2HB GLU 65 3.609 -1.008 -5.589 481 HG2 GLU 65 1HG GLU 65 5.755 -2.254 -5.244 482 HG3 GLU 65 2HG GLU 65 4.849 -3.401 -4.260 483 H VAL 66 H VAL 66 6.229 -1.791 -2.383 484 HA VAL 66 HA VAL 66 8.267 0.060 -3.294 485 HB VAL 66 HB VAL 66 8.350 -2.294 -1.413 486 HG11 VAL 66 1HG1 VAL 66 10.573 -0.691 -2.598 487 HG12 VAL 66 2HG1 VAL 66 10.714 -1.298 -0.947 488 HG13 VAL 66 3HG1 VAL 66 10.481 -2.423 -2.285 489 HG21 VAL 66 1HG2 VAL 66 7.869 -0.791 0.149 490 HG22 VAL 66 2HG2 VAL 66 9.277 0.166 -0.312 491 HG23 VAL 66 3HG2 VAL 66 7.724 0.447 -1.099 492 H CYS 67 H CYS 67 9.864 -0.358 -4.736 493 HA CYS 67 HA CYS 67 10.390 -3.027 -5.685 494 HB2 CYS 67 1HB CYS 67 8.834 -1.057 -7.304 495 HB3 CYS 67 2HB CYS 67 9.990 -2.095 -8.130 496 HG CYS 67 HG CYS 67 6.943 -2.781 -7.120 497 H LYS 68 H LYS 68 11.979 -2.851 -7.650 498 HA LYS 68 HA LYS 68 13.945 -0.774 -6.950 499 HB2 LYS 68 1HB LYS 68 15.668 -2.289 -7.705 500 HB3 LYS 68 2HB LYS 68 14.639 -3.124 -6.550 501 HG2 LYS 68 1HG LYS 68 14.855 -4.727 -8.159 502 HG3 LYS 68 2HG LYS 68 13.385 -3.919 -8.710 503 HD2 LYS 68 1HD LYS 68 14.479 -2.841 -10.450 504 HD3 LYS 68 2HD LYS 68 16.065 -3.015 -9.693 505 HE2 LYS 68 1HE LYS 68 14.414 -5.258 -10.855 506 HE3 LYS 68 2HE LYS 68 15.799 -4.495 -11.635 507 HZ1 LYS 68 1HZ LYS 68 17.041 -5.178 -9.516 508 HZ2 LYS 68 2HZ LYS 68 16.692 -6.376 -10.658 509 HZ3 LYS 68 3HZ LYS 68 15.750 -6.242 -9.259 510 H LEU 69 H LEU 69 15.197 0.176 -8.647 511 HA LEU 69 HA LEU 69 13.657 0.475 -11.108 512 HB2 LEU 69 1HB LEU 69 16.040 2.017 -10.091 513 HB3 LEU 69 2HB LEU 69 15.102 2.405 -11.532 514 HG LEU 69 HG LEU 69 13.822 2.337 -8.819 515 HD11 LEU 69 1HD1 LEU 69 14.226 4.736 -8.634 516 HD12 LEU 69 2HD1 LEU 69 15.214 4.689 -10.093 517 HD13 LEU 69 3HD1 LEU 69 15.741 3.833 -8.644 518 HD21 LEU 69 1HD2 LEU 69 13.113 3.202 -11.546 519 HD22 LEU 69 2HD2 LEU 69 12.613 4.279 -10.242 520 HD23 LEU 69 3HD2 LEU 69 12.092 2.593 -10.244 521 HA PRO 70 HA PRO 70 16.378 -2.009 -13.517 522 HB2 PRO 70 1HB PRO 70 15.904 -0.926 -15.961 523 HB3 PRO 70 2HB PRO 70 14.743 -1.969 -15.131 524 HG2 PRO 70 1HG PRO 70 14.813 1.018 -15.314 525 HG3 PRO 70 2HG PRO 70 13.428 -0.080 -15.460 526 HD2 PRO 70 1HD PRO 70 13.967 1.290 -13.187 527 HD3 PRO 70 2HD PRO 70 13.216 -0.318 -13.177 528 H ARG 71 H ARG 71 16.440 1.454 -14.389 529 HA ARG 71 HA ARG 71 19.165 1.312 -15.282 530 HB2 ARG 71 1HB ARG 71 17.083 3.428 -15.065 531 HB3 ARG 71 2HB ARG 71 18.762 3.946 -15.124 532 HG2 ARG 71 1HG ARG 71 18.281 3.970 -17.343 533 HG3 ARG 71 2HG ARG 71 18.829 2.300 -17.187 534 HD2 ARG 71 1HD ARG 71 16.752 2.464 -18.480 535 HD3 ARG 71 2HD ARG 71 16.532 1.539 -16.996 536 HE ARG 71 HE ARG 71 15.864 4.204 -16.479 537 HH11 ARG 71 1HH1 ARG 71 14.717 1.498 -18.345 538 HH12 ARG 71 2HH1 ARG 71 13.058 1.993 -18.286 539 HH21 ARG 71 1HH2 ARG 71 13.682 4.867 -16.394 540 HH22 ARG 71 2HH2 ARG 71 12.470 3.910 -17.177 541 H LEU 72 H LEU 72 17.489 2.434 -12.393 542 HA LEU 72 HA LEU 72 20.064 3.137 -11.173 543 HB2 LEU 72 1HB LEU 72 17.232 3.907 -10.646 544 HB3 LEU 72 2HB LEU 72 18.399 3.977 -9.327 545 HG LEU 72 HG LEU 72 18.963 5.378 -11.912 546 HD11 LEU 72 1HD1 LEU 72 17.987 7.385 -10.447 547 HD12 LEU 72 2HD1 LEU 72 16.931 6.089 -9.885 548 HD13 LEU 72 3HD1 LEU 72 17.011 6.479 -11.603 549 HD21 LEU 72 1HD2 LEU 72 20.206 5.124 -9.359 550 HD22 LEU 72 2HD2 LEU 72 19.739 6.807 -9.601 551 HD23 LEU 72 3HD2 LEU 72 20.769 5.998 -10.783 552 H SER 73 H SER 73 20.881 2.045 -9.471 553 HA SER 73 HA SER 73 19.634 -0.482 -8.789 554 HB2 SER 73 1HB SER 73 21.753 -0.816 -7.453 555 HB3 SER 73 2HB SER 73 21.998 -0.564 -9.181 556 HG SER 73 HG SER 73 22.016 1.679 -7.521 557 H LEU 74 H LEU 74 18.044 1.542 -7.903 558 HA LEU 74 HA LEU 74 18.297 1.262 -4.995 559 HB2 LEU 74 1HB LEU 74 17.423 3.833 -6.283 560 HB3 LEU 74 2HB LEU 74 17.785 3.538 -4.584 561 HG LEU 74 HG LEU 74 19.970 3.205 -6.581 562 HD11 LEU 74 1HD1 LEU 74 18.605 5.423 -6.898 563 HD12 LEU 74 2HD1 LEU 74 20.368 5.438 -6.890 564 HD13 LEU 74 3HD1 LEU 74 19.476 5.912 -5.444 565 HD21 LEU 74 1HD2 LEU 74 20.348 4.629 -4.037 566 HD22 LEU 74 2HD2 LEU 74 21.312 3.354 -4.782 567 HD23 LEU 74 3HD2 LEU 74 19.845 2.945 -3.891 568 H ASN 75 H ASN 75 16.235 1.747 -3.858 569 HA ASN 75 HA ASN 75 13.980 0.776 -5.466 570 HB2 ASN 75 1HB ASN 75 13.037 0.544 -2.979 571 HB3 ASN 75 2HB ASN 75 14.060 -0.690 -3.709 572 HD21 ASN 75 1HD2 ASN 75 14.755 -1.371 -1.675 573 HD22 ASN 75 2HD2 ASN 75 15.896 -0.460 -0.752 574 H GLY 76 H GLY 76 12.027 1.841 -5.535 575 HA2 GLY 76 1HA GLY 76 11.894 4.445 -4.155 576 HA3 GLY 76 2HA GLY 76 11.534 4.320 -5.871 577 H VAL 77 H VAL 77 9.698 5.374 -4.102 578 HA VAL 77 HA VAL 77 7.773 3.284 -3.477 579 HB VAL 77 HB VAL 77 7.609 6.272 -3.064 580 HG11 VAL 77 1HG1 VAL 77 5.879 4.387 -1.573 581 HG12 VAL 77 2HG1 VAL 77 5.554 6.030 -2.129 582 HG13 VAL 77 3HG1 VAL 77 5.477 4.682 -3.264 583 HG21 VAL 77 1HG2 VAL 77 8.530 4.002 -1.356 584 HG22 VAL 77 2HG2 VAL 77 9.239 5.602 -1.575 585 HG23 VAL 77 3HG2 VAL 77 7.779 5.411 -0.606 586 H ARG 78 H ARG 78 6.110 2.742 -4.732 587 HA ARG 78 HA ARG 78 5.709 4.169 -7.229 588 HB2 ARG 78 1HB ARG 78 5.782 1.794 -7.429 589 HB3 ARG 78 2HB ARG 78 4.616 1.583 -6.130 590 HG2 ARG 78 1HG ARG 78 3.321 1.195 -7.982 591 HG3 ARG 78 2HG ARG 78 3.030 2.914 -7.708 592 HD2 ARG 78 1HD ARG 78 5.295 2.136 -9.469 593 HD3 ARG 78 2HD ARG 78 3.657 1.962 -10.098 594 HE ARG 78 HE ARG 78 3.840 4.506 -9.007 595 HH11 ARG 78 1HH1 ARG 78 5.310 2.683 -11.583 596 HH12 ARG 78 2HH1 ARG 78 5.611 4.074 -12.571 597 HH21 ARG 78 1HH2 ARG 78 4.230 6.345 -10.299 598 HH22 ARG 78 2HH2 ARG 78 4.997 6.157 -11.839 599 H PHE 79 H PHE 79 4.146 5.599 -7.585 600 HA PHE 79 HA PHE 79 1.957 5.782 -5.624 601 HB2 PHE 79 1HB PHE 79 3.355 7.896 -7.254 602 HB3 PHE 79 2HB PHE 79 1.793 8.187 -6.496 603 HD1 PHE 79 HD2 PHE 79 5.289 7.190 -5.762 604 HD2 PHE 79 HD1 PHE 79 1.659 8.831 -4.263 605 HE1 PHE 79 HE2 PHE 79 6.425 7.772 -3.659 606 HE2 PHE 79 HE1 PHE 79 2.790 9.417 -2.158 607 HZ PHE 79 HZ PHE 79 5.176 8.887 -1.853 608 H LYS 80 H LYS 80 0.394 4.544 -6.552 609 HA LYS 80 HA LYS 80 -0.340 5.097 -9.340 610 HB2 LYS 80 1HB LYS 80 0.074 2.711 -8.322 611 HB3 LYS 80 2HB LYS 80 -1.566 2.900 -7.716 612 HG2 LYS 80 1HG LYS 80 -1.739 1.733 -9.754 613 HG3 LYS 80 2HG LYS 80 -2.263 3.385 -10.089 614 HD2 LYS 80 1HD LYS 80 -0.035 3.896 -10.988 615 HD3 LYS 80 2HD LYS 80 0.466 2.233 -10.673 616 HE2 LYS 80 1HE LYS 80 -0.106 2.166 -12.914 617 HE3 LYS 80 2HE LYS 80 -1.581 1.603 -12.130 618 HZ1 LYS 80 1HZ LYS 80 -1.246 3.807 -13.829 619 HZ2 LYS 80 2HZ LYS 80 -1.709 4.386 -12.309 620 HZ3 LYS 80 3HZ LYS 80 -2.669 3.245 -13.107 621 H ARG 81 H ARG 81 -2.351 5.821 -9.910 622 HA ARG 81 HA ARG 81 -3.948 6.954 -7.742 623 HB2 ARG 81 1HB ARG 81 -3.147 8.217 -9.875 624 HB3 ARG 81 2HB ARG 81 -4.488 7.393 -10.660 625 HG2 ARG 81 1HG ARG 81 -5.037 8.850 -8.134 626 HG3 ARG 81 2HG ARG 81 -4.753 9.791 -9.600 627 HD2 ARG 81 1HD ARG 81 -6.865 7.696 -9.133 628 HD3 ARG 81 2HD ARG 81 -7.104 9.420 -9.412 629 HE ARG 81 HE ARG 81 -5.854 8.653 -11.659 630 HH11 ARG 81 1HH1 ARG 81 -8.586 7.341 -9.946 631 HH12 ARG 81 2HH1 ARG 81 -9.346 6.717 -11.372 632 HH21 ARG 81 1HH2 ARG 81 -6.845 7.835 -13.544 633 HH22 ARG 81 2HH2 ARG 81 -8.355 6.997 -13.418 634 H ILE 82 H ILE 82 -5.908 6.226 -7.185 635 HA ILE 82 HA ILE 82 -7.123 4.135 -8.871 636 HB ILE 82 HB ILE 82 -7.498 4.401 -5.892 637 HG12 ILE 82 1HG1 ILE 82 -5.098 3.927 -6.640 638 HG13 ILE 82 2HG1 ILE 82 -5.823 2.774 -5.525 639 HG21 ILE 82 1HG2 ILE 82 -9.244 3.105 -6.572 640 HG22 ILE 82 2HG2 ILE 82 -8.390 2.504 -7.993 641 HG23 ILE 82 3HG2 ILE 82 -8.015 1.853 -6.397 642 HD11 ILE 82 1HD1 ILE 82 -6.393 1.893 -8.147 643 HD12 ILE 82 2HD1 ILE 82 -4.680 2.305 -8.074 644 HD13 ILE 82 3HD1 ILE 82 -5.356 1.143 -6.933 645 H SER 83 H SER 83 -8.096 6.349 -6.244 646 HA SER 83 HA SER 83 -10.528 6.953 -7.796 647 HB2 SER 83 1HB SER 83 -10.621 5.736 -5.454 648 HB3 SER 83 2HB SER 83 -10.419 7.375 -4.836 649 HG SER 83 HG SER 83 -12.470 7.595 -5.181 650 H GLY 84 H GLY 84 -11.519 9.128 -6.770 651 HA2 GLY 84 1HA GLY 84 -11.331 11.413 -6.653 652 HA3 GLY 84 2HA GLY 84 -9.759 11.147 -5.913 653 H THR 85 H THR 85 -10.618 13.194 -7.835 654 HA THR 85 HA THR 85 -9.543 12.597 -10.395 655 HB THR 85 HB THR 85 -11.155 14.413 -10.089 656 HG1 THR 85 HG1 THR 85 -8.580 15.088 -11.077 657 HG21 THR 85 1HG2 THR 85 -9.611 15.103 -7.901 658 HG22 THR 85 2HG2 THR 85 -10.935 16.051 -8.579 659 HG23 THR 85 3HG2 THR 85 -9.273 16.382 -9.066 660 H SER 86 H SER 86 -7.559 13.052 -11.285 661 HA SER 86 HA SER 86 -5.254 12.651 -10.003 662 HB2 SER 86 1HB SER 86 -5.695 14.638 -12.242 663 HB3 SER 86 2HB SER 86 -4.108 14.067 -11.728 664 HG SER 86 HG SER 86 -4.434 12.379 -12.915 665 H ILE 87 H ILE 87 -6.444 15.965 -10.590 666 HA ILE 87 HA ILE 87 -4.654 17.477 -9.279 667 HB ILE 87 HB ILE 87 -7.651 17.710 -9.254 668 HG12 ILE 87 1HG1 ILE 87 -5.650 19.559 -10.529 669 HG13 ILE 87 2HG1 ILE 87 -6.148 18.072 -11.329 670 HG21 ILE 87 1HG2 ILE 87 -7.280 18.896 -7.334 671 HG22 ILE 87 2HG2 ILE 87 -5.636 19.337 -7.794 672 HG23 ILE 87 3HG2 ILE 87 -7.009 20.162 -8.532 673 HD11 ILE 87 1HD1 ILE 87 -8.523 18.896 -11.075 674 HD12 ILE 87 2HD1 ILE 87 -7.828 20.451 -10.619 675 HD13 ILE 87 3HD1 ILE 87 -7.500 19.772 -12.213 676 H ALA 88 H ALA 88 -7.488 16.097 -7.601 677 HA ALA 88 HA ALA 88 -6.625 16.759 -5.012 678 HB1 ALA 88 1HB ALA 88 -8.910 16.275 -5.281 679 HB2 ALA 88 2HB ALA 88 -8.576 14.716 -6.035 680 HB3 ALA 88 3HB ALA 88 -8.266 14.947 -4.315 681 H PHE 89 H PHE 89 -6.154 13.859 -6.972 682 HA PHE 89 HA PHE 89 -5.062 12.182 -5.037 683 HB2 PHE 89 1HB PHE 89 -5.601 11.204 -7.118 684 HB3 PHE 89 2HB PHE 89 -4.642 12.380 -8.012 685 HD1 PHE 89 HD1 PHE 89 -3.793 10.263 -5.069 686 HD2 PHE 89 HD2 PHE 89 -3.012 11.210 -9.144 687 HE1 PHE 89 HE1 PHE 89 -1.887 8.707 -5.061 688 HE2 PHE 89 HE2 PHE 89 -1.105 9.655 -9.144 689 HZ PHE 89 HZ PHE 89 -0.541 8.400 -7.101 690 H LYS 90 H LYS 90 -3.203 14.014 -7.471 691 HA LYS 90 HA LYS 90 -0.696 13.637 -6.343 692 HB2 LYS 90 1HB LYS 90 -1.300 14.636 -8.618 693 HB3 LYS 90 2HB LYS 90 -1.504 16.164 -7.772 694 HG2 LYS 90 1HG LYS 90 1.039 14.684 -7.380 695 HG3 LYS 90 2HG LYS 90 0.774 15.500 -8.922 696 HD2 LYS 90 1HD LYS 90 0.346 16.915 -6.310 697 HD3 LYS 90 2HD LYS 90 1.948 16.804 -7.043 698 HE2 LYS 90 1HE LYS 90 -0.452 17.843 -8.529 699 HE3 LYS 90 2HE LYS 90 0.594 18.887 -7.568 700 HZ1 LYS 90 1HZ LYS 90 1.623 19.079 -9.558 701 HZ2 LYS 90 2HZ LYS 90 1.123 17.561 -10.111 702 HZ3 LYS 90 3HZ LYS 90 2.418 17.682 -9.029 703 H ASN 91 H ASN 91 -3.234 15.845 -5.457 704 HA ASN 91 HA ASN 91 -1.910 17.809 -4.067 705 HB2 ASN 91 1HB ASN 91 -4.475 17.344 -4.431 706 HB3 ASN 91 2HB ASN 91 -4.356 16.590 -2.844 707 HD21 ASN 91 1HD2 ASN 91 -5.101 19.363 -4.377 708 HD22 ASN 91 2HD2 ASN 91 -4.787 20.500 -3.114 709 H ILE 92 H ILE 92 -3.313 14.947 -2.464 710 HA ILE 92 HA ILE 92 -1.819 15.299 -0.090 711 HB ILE 92 HB ILE 92 -3.902 14.062 -0.055 712 HG12 ILE 92 1HG1 ILE 92 -3.092 11.974 1.124 713 HG13 ILE 92 2HG1 ILE 92 -1.460 12.426 0.645 714 HG21 ILE 92 1HG2 ILE 92 -3.078 11.549 -1.135 715 HG22 ILE 92 2HG2 ILE 92 -4.435 12.571 -1.608 716 HG23 ILE 92 3HG2 ILE 92 -2.852 12.809 -2.348 717 HD11 ILE 92 1HD1 ILE 92 -1.928 14.640 1.828 718 HD12 ILE 92 2HD1 ILE 92 -3.305 13.807 2.552 719 HD13 ILE 92 3HD1 ILE 92 -1.669 13.208 2.824 720 H ALA 93 H ALA 93 -1.233 13.525 -3.047 721 HA ALA 93 HA ALA 93 0.700 11.722 -2.340 722 HB1 ALA 93 1HB ALA 93 1.244 13.313 -4.781 723 HB2 ALA 93 2HB ALA 93 1.195 11.565 -4.552 724 HB3 ALA 93 3HB ALA 93 -0.307 12.480 -4.681 725 H SER 94 H SER 94 1.238 15.145 -3.171 726 HA SER 94 HA SER 94 3.994 15.207 -2.836 727 HB2 SER 94 1HB SER 94 2.445 17.040 -3.740 728 HB3 SER 94 2HB SER 94 2.199 17.502 -2.056 729 HG SER 94 HG SER 94 4.814 17.187 -3.013 730 H LYS 95 H LYS 95 1.426 15.348 -0.457 731 HA LYS 95 HA LYS 95 2.978 16.197 1.742 732 HB2 LYS 95 1HB LYS 95 0.514 14.449 1.801 733 HB3 LYS 95 2HB LYS 95 1.141 15.426 3.122 734 HG2 LYS 95 1HG LYS 95 0.207 16.590 0.513 735 HG3 LYS 95 2HG LYS 95 -0.842 16.373 1.916 736 HD2 LYS 95 1HD LYS 95 0.430 17.889 3.216 737 HD3 LYS 95 2HD LYS 95 1.749 17.900 2.043 738 HE2 LYS 95 1HE LYS 95 -1.004 18.825 1.294 739 HE3 LYS 95 2HE LYS 95 0.129 19.906 2.105 740 HZ1 LYS 95 1HZ LYS 95 -0.022 19.435 -0.584 741 HZ2 LYS 95 2HZ LYS 95 1.338 18.556 -0.098 742 HZ3 LYS 95 3HZ LYS 95 1.243 20.214 0.225 743 H ILE 96 H ILE 96 2.347 13.039 0.341 744 HA ILE 96 HA ILE 96 3.703 11.648 2.490 745 HB ILE 96 HB ILE 96 2.826 10.492 -0.153 746 HG12 ILE 96 1HG1 ILE 96 1.031 11.727 1.265 747 HG13 ILE 96 2HG1 ILE 96 0.683 10.103 0.684 748 HG21 ILE 96 1HG2 ILE 96 2.828 8.387 1.008 749 HG22 ILE 96 2HG2 ILE 96 4.392 9.167 1.238 750 HG23 ILE 96 3HG2 ILE 96 3.199 9.185 2.536 751 HD11 ILE 96 1HD1 ILE 96 1.877 10.485 3.388 752 HD12 ILE 96 2HD1 ILE 96 0.150 10.741 3.134 753 HD13 ILE 96 3HD1 ILE 96 0.872 9.171 2.778 754 H ALA 97 H ALA 97 4.200 11.735 -1.045 755 HA ALA 97 HA ALA 97 6.615 10.584 -1.305 756 HB1 ALA 97 1HB ALA 97 5.139 11.822 -3.047 757 HB2 ALA 97 2HB ALA 97 6.202 13.189 -2.710 758 HB3 ALA 97 3HB ALA 97 6.876 11.678 -3.322 759 H ASN 98 H ASN 98 5.999 13.695 0.155 760 HA ASN 98 HA ASN 98 8.821 14.354 0.317 761 HB2 ASN 98 1HB ASN 98 6.264 15.746 0.979 762 HB3 ASN 98 2HB ASN 98 7.731 16.266 1.803 763 HD21 ASN 98 1HD2 ASN 98 7.559 18.280 0.759 764 HD22 ASN 98 2HD2 ASN 98 8.023 18.473 -0.894 765 H GLU 99 H GLU 99 6.267 14.306 2.805 766 HA GLU 99 HA GLU 99 7.680 14.229 5.072 767 HB2 GLU 99 1HB GLU 99 5.180 12.837 4.260 768 HB3 GLU 99 2HB GLU 99 5.909 12.361 5.787 769 HG2 GLU 99 1HG GLU 99 5.969 14.982 6.151 770 HG3 GLU 99 2HG GLU 99 4.629 14.916 5.008 771 H LEU 100 H LEU 100 7.252 11.471 2.906 772 HA LEU 100 HA LEU 100 8.243 9.377 4.294 773 HB2 LEU 100 1HB LEU 100 8.602 10.220 1.456 774 HB3 LEU 100 2HB LEU 100 9.472 8.807 2.048 775 HG LEU 100 HG LEU 100 6.473 9.143 2.073 776 HD11 LEU 100 1HD1 LEU 100 6.885 7.109 0.410 777 HD12 LEU 100 2HD1 LEU 100 8.372 8.006 0.106 778 HD13 LEU 100 3HD1 LEU 100 6.808 8.783 -0.141 779 HD21 LEU 100 1HD2 LEU 100 6.637 7.576 3.669 780 HD22 LEU 100 2HD2 LEU 100 8.315 7.205 3.274 781 HD23 LEU 100 3HD2 LEU 100 7.008 6.487 2.332 782 H LYS 101 H LYS 101 9.758 9.821 5.851 783 HA LYS 101 HA LYS 101 12.163 11.259 5.340 784 HB2 LYS 101 1HB LYS 101 11.253 11.173 7.582 785 HB3 LYS 101 2HB LYS 101 11.377 9.419 7.605 786 HG2 LYS 101 1HG LYS 101 13.243 9.932 8.785 787 HG3 LYS 101 2HG LYS 101 13.929 9.957 7.159 788 HD2 LYS 101 1HD LYS 101 12.760 12.476 8.222 789 HD3 LYS 101 2HD LYS 101 14.312 11.943 8.873 790 HE2 LYS 101 1HE LYS 101 13.950 11.940 5.922 791 HE3 LYS 101 2HE LYS 101 14.145 13.494 6.731 792 HZ1 LYS 101 1HZ LYS 101 16.282 12.730 6.078 793 HZ2 LYS 101 2HZ LYS 101 16.032 11.207 6.769 794 HZ3 LYS 101 3HZ LYS 101 16.192 12.569 7.760 795 H LEU 102 H LEU 102 13.054 10.225 3.501 796 HA LEU 102 HA LEU 102 14.510 7.764 4.165 797 HB2 LEU 102 1HB LEU 102 13.307 8.277 1.457 798 HB3 LEU 102 2HB LEU 102 14.084 6.803 2.032 799 HG LEU 102 HG LEU 102 11.586 7.770 3.359 800 HD11 LEU 102 1HD1 LEU 102 11.577 6.036 0.901 801 HD12 LEU 102 2HD1 LEU 102 11.243 7.767 0.866 802 HD13 LEU 102 3HD1 LEU 102 10.193 6.685 1.780 803 HD21 LEU 102 1HD2 LEU 102 13.055 5.188 3.019 804 HD22 LEU 102 2HD2 LEU 102 11.330 5.186 3.388 805 HD23 LEU 102 3HD2 LEU 102 12.468 5.959 4.493 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 16.359 16.306 -25.820 2 HA2 GLY 1 1HA GLY 1 14.349 17.417 -25.021 3 HA3 GLY 1 2HA GLY 1 13.899 16.352 -26.345 4 H SER 2 H SER 2 13.960 16.730 -22.858 5 HA SER 2 HA SER 2 12.905 14.349 -21.994 6 HB2 SER 2 1HB SER 2 11.936 15.608 -20.106 7 HB3 SER 2 2HB SER 2 13.576 16.147 -20.467 8 HG SER 2 HG SER 2 12.460 17.815 -21.793 9 H SER 3 H SER 3 11.011 13.314 -22.139 10 HA SER 3 HA SER 3 9.096 13.997 -24.041 11 HB2 SER 3 1HB SER 3 8.838 12.170 -21.641 12 HB3 SER 3 2HB SER 3 7.688 12.238 -22.976 13 HG SER 3 HG SER 3 9.750 10.718 -22.871 14 H GLY 4 H GLY 4 7.188 15.082 -24.004 15 HA2 GLY 4 1HA GLY 4 5.791 15.788 -21.637 16 HA3 GLY 4 2HA GLY 4 6.769 17.141 -22.187 17 H SER 5 H SER 5 3.939 15.250 -22.727 18 HA SER 5 HA SER 5 3.182 17.068 -24.918 19 HB2 SER 5 1HB SER 5 1.872 15.224 -25.908 20 HB3 SER 5 2HB SER 5 3.588 14.824 -25.816 21 HG SER 5 HG SER 5 2.306 13.094 -25.087 22 H SER 6 H SER 6 0.716 17.056 -25.223 23 HA SER 6 HA SER 6 -0.495 17.370 -22.565 24 HB2 SER 6 1HB SER 6 -0.842 18.763 -25.176 25 HB3 SER 6 2HB SER 6 -2.252 18.637 -24.124 26 HG SER 6 HG SER 6 -1.412 20.112 -22.899 27 H GLY 7 H GLY 7 -1.463 15.498 -22.026 28 HA2 GLY 7 1HA GLY 7 -3.901 14.719 -22.972 29 HA3 GLY 7 2HA GLY 7 -2.763 13.822 -23.967 30 H ARG 8 H ARG 8 -0.962 12.734 -22.590 31 HA ARG 8 HA ARG 8 -2.279 11.431 -20.298 32 HB2 ARG 8 1HB ARG 8 -0.395 10.324 -22.376 33 HB3 ARG 8 2HB ARG 8 -0.728 9.490 -20.864 34 HG2 ARG 8 1HG ARG 8 -2.925 9.044 -21.441 35 HG3 ARG 8 2HG ARG 8 -2.972 10.330 -22.649 36 HD2 ARG 8 1HD ARG 8 -1.589 9.078 -24.139 37 HD3 ARG 8 2HD ARG 8 -1.255 7.869 -22.901 38 HE ARG 8 HE ARG 8 -4.009 7.930 -23.281 39 HH11 ARG 8 1HH1 ARG 8 -1.143 7.141 -25.094 40 HH12 ARG 8 2HH1 ARG 8 -1.939 5.968 -26.091 41 HH21 ARG 8 1HH2 ARG 8 -5.068 6.388 -24.587 42 HH22 ARG 8 2HH2 ARG 8 -4.171 5.541 -25.802 43 H PHE 9 H PHE 9 -0.549 10.306 -18.856 44 HA PHE 9 HA PHE 9 1.843 11.967 -18.567 45 HB2 PHE 9 1HB PHE 9 0.540 13.113 -17.025 46 HB3 PHE 9 2HB PHE 9 -0.366 11.675 -16.567 47 HD1 PHE 9 HD2 PHE 9 3.160 12.902 -16.490 48 HD2 PHE 9 HD1 PHE 9 0.035 10.823 -14.482 49 HE1 PHE 9 HE2 PHE 9 4.616 12.617 -14.528 50 HE2 PHE 9 HE1 PHE 9 1.486 10.535 -12.516 51 HZ PHE 9 HZ PHE 9 3.780 11.431 -12.537 52 H THR 10 H THR 10 3.520 10.642 -18.500 53 HA THR 10 HA THR 10 3.368 7.869 -18.177 54 HB THR 10 HB THR 10 5.842 7.937 -17.910 55 HG1 THR 10 HG1 THR 10 5.262 10.642 -17.517 56 HG21 THR 10 1HG2 THR 10 4.308 9.066 -20.120 57 HG22 THR 10 2HG2 THR 10 5.617 7.883 -20.140 58 HG23 THR 10 3HG2 THR 10 5.986 9.607 -20.096 59 H TRP 11 H TRP 11 4.916 6.770 -16.470 60 HA TRP 11 HA TRP 11 4.058 7.738 -13.823 61 HB2 TRP 11 1HB TRP 11 3.053 5.581 -14.494 62 HB3 TRP 11 2HB TRP 11 4.667 4.899 -14.674 63 HD1 TRP 11 HD1 TRP 11 5.203 6.831 -11.768 64 HE1 TRP 11 HE1 TRP 11 4.755 5.531 -9.593 65 HE3 TRP 11 HE3 TRP 11 2.494 2.944 -13.689 66 HZ2 TRP 11 HZ2 TRP 11 3.430 3.169 -8.796 67 HZ3 TRP 11 HZ3 TRP 11 1.673 1.206 -12.153 68 HH2 TRP 11 HH2 TRP 11 2.133 1.318 -9.758 69 H SER 12 H SER 12 6.020 9.085 -13.898 70 HA SER 12 HA SER 12 8.518 7.602 -13.522 71 HB2 SER 12 1HB SER 12 8.251 9.670 -15.075 72 HB3 SER 12 2HB SER 12 8.310 10.601 -13.579 73 HG SER 12 HG SER 12 10.286 8.866 -14.632 74 H MET 13 H MET 13 10.026 8.766 -11.850 75 HA MET 13 HA MET 13 8.640 9.743 -9.505 76 HB2 MET 13 1HB MET 13 9.748 6.991 -9.701 77 HB3 MET 13 2HB MET 13 10.023 7.866 -8.200 78 HG2 MET 13 1HG MET 13 7.318 7.438 -9.442 79 HG3 MET 13 2HG MET 13 8.013 6.417 -8.185 80 HE1 MET 13 1HE MET 13 7.885 7.896 -5.106 81 HE2 MET 13 2HE MET 13 9.118 7.364 -6.249 82 HE3 MET 13 3HE MET 13 9.054 9.053 -5.744 83 H LYS 14 H LYS 14 10.101 10.515 -7.849 84 HA LYS 14 HA LYS 14 12.836 10.977 -8.843 85 HB2 LYS 14 1HB LYS 14 11.061 12.922 -7.356 86 HB3 LYS 14 2HB LYS 14 12.744 13.209 -7.775 87 HG2 LYS 14 1HG LYS 14 12.284 13.465 -10.018 88 HG3 LYS 14 2HG LYS 14 10.781 12.544 -9.921 89 HD2 LYS 14 1HD LYS 14 10.019 14.721 -10.140 90 HD3 LYS 14 2HD LYS 14 9.986 14.483 -8.392 91 HE2 LYS 14 1HE LYS 14 12.446 15.428 -8.575 92 HE3 LYS 14 2HE LYS 14 11.812 16.141 -10.057 93 HZ1 LYS 14 1HZ LYS 14 11.321 16.869 -7.330 94 HZ2 LYS 14 2HZ LYS 14 9.891 16.675 -8.211 95 HZ3 LYS 14 3HZ LYS 14 11.072 17.761 -8.745 96 H THR 15 H THR 15 10.742 10.316 -6.142 97 HA THR 15 HA THR 15 12.814 10.506 -4.155 98 HB THR 15 HB THR 15 10.099 9.194 -3.918 99 HG1 THR 15 HG1 THR 15 10.396 11.618 -4.452 100 HG21 THR 15 1HG2 THR 15 10.674 8.696 -1.824 101 HG22 THR 15 2HG2 THR 15 11.092 10.381 -1.511 102 HG23 THR 15 3HG2 THR 15 12.305 9.276 -2.157 103 H THR 16 H THR 16 14.456 9.096 -4.374 104 HA THR 16 HA THR 16 13.777 6.241 -4.664 105 HB THR 16 HB THR 16 16.024 5.904 -5.611 106 HG1 THR 16 HG1 THR 16 17.291 7.727 -6.110 107 HG21 THR 16 1HG2 THR 16 14.895 6.130 -7.524 108 HG22 THR 16 2HG2 THR 16 15.439 7.807 -7.565 109 HG23 THR 16 3HG2 THR 16 13.881 7.402 -6.844 110 H SER 17 H SER 17 14.830 4.740 -3.360 111 HA SER 17 HA SER 17 16.505 5.815 -1.198 112 HB2 SER 17 1HB SER 17 14.031 5.423 -0.557 113 HB3 SER 17 2HB SER 17 14.424 3.707 -0.658 114 HG SER 17 HG SER 17 14.826 5.299 1.377 115 H SER 18 H SER 18 18.107 4.467 -0.451 116 HA SER 18 HA SER 18 18.726 2.203 -2.175 117 HB2 SER 18 1HB SER 18 20.445 3.293 0.055 118 HB3 SER 18 2HB SER 18 20.951 2.345 -1.343 119 HG SER 18 HG SER 18 19.886 4.976 -1.425 120 H MET 19 H MET 19 18.479 2.881 1.312 121 HA MET 19 HA MET 19 18.990 0.520 2.473 122 HB2 MET 19 1HB MET 19 17.230 1.009 4.138 123 HB3 MET 19 2HB MET 19 18.202 2.423 3.752 124 HG2 MET 19 1HG MET 19 16.407 3.151 2.194 125 HG3 MET 19 2HG MET 19 15.428 1.806 2.772 126 HE1 MET 19 1HE MET 19 14.296 1.552 4.539 127 HE2 MET 19 2HE MET 19 14.812 2.096 6.135 128 HE3 MET 19 3HE MET 19 13.502 2.931 5.300 129 H ASP 20 H ASP 20 18.086 -1.479 2.732 130 HA ASP 20 HA ASP 20 16.740 -2.724 0.738 131 HB2 ASP 20 1HB ASP 20 16.889 -3.266 3.678 132 HB3 ASP 20 2HB ASP 20 15.833 -4.257 2.676 133 HA PRO 21 HA PRO 21 12.566 -1.363 0.669 134 HB2 PRO 21 1HB PRO 21 11.331 -3.596 -0.257 135 HB3 PRO 21 2HB PRO 21 12.344 -2.566 -1.275 136 HG2 PRO 21 1HG PRO 21 13.027 -5.143 0.086 137 HG3 PRO 21 2HG PRO 21 13.427 -4.604 -1.555 138 HD2 PRO 21 1HD PRO 21 15.202 -4.495 0.486 139 HD3 PRO 21 2HD PRO 21 15.194 -3.311 -0.836 140 H SER 22 H SER 22 13.148 -4.522 2.177 141 HA SER 22 HA SER 22 10.783 -4.970 3.470 142 HB2 SER 22 1HB SER 22 13.627 -5.571 4.171 143 HB3 SER 22 2HB SER 22 12.375 -5.890 5.371 144 HG SER 22 HG SER 22 11.841 -6.785 2.807 145 H ASP 23 H ASP 23 13.026 -2.435 4.044 146 HA ASP 23 HA ASP 23 11.948 -1.816 6.677 147 HB2 ASP 23 1HB ASP 23 14.090 -0.483 5.009 148 HB3 ASP 23 2HB ASP 23 13.594 0.069 6.607 149 H MET 24 H MET 24 12.028 -0.440 3.416 150 HA MET 24 HA MET 24 10.838 1.987 3.783 151 HB2 MET 24 1HB MET 24 10.774 -0.014 1.584 152 HB3 MET 24 2HB MET 24 9.614 1.305 1.507 153 HG2 MET 24 1HG MET 24 11.353 2.933 1.499 154 HG3 MET 24 2HG MET 24 12.573 1.708 1.838 155 HE1 MET 24 1HE MET 24 10.955 3.791 -0.958 156 HE2 MET 24 2HE MET 24 10.525 2.579 -2.165 157 HE3 MET 24 3HE MET 24 9.703 2.600 -0.604 158 H MET 25 H MET 25 9.162 -1.129 3.421 159 HA MET 25 HA MET 25 6.546 -0.288 3.490 160 HB2 MET 25 1HB MET 25 7.942 -2.761 4.392 161 HB3 MET 25 2HB MET 25 6.265 -2.542 4.874 162 HG2 MET 25 1HG MET 25 7.317 -2.553 2.054 163 HG3 MET 25 2HG MET 25 6.426 -3.853 2.844 164 HE1 MET 25 1HE MET 25 4.304 -3.758 3.743 165 HE2 MET 25 2HE MET 25 3.006 -2.609 3.415 166 HE3 MET 25 3HE MET 25 3.431 -3.827 2.211 167 H ARG 26 H ARG 26 8.835 -0.512 6.128 168 HA ARG 26 HA ARG 26 6.910 -0.166 8.211 169 HB2 ARG 26 1HB ARG 26 9.157 -1.219 8.522 170 HB3 ARG 26 2HB ARG 26 9.882 0.369 8.305 171 HG2 ARG 26 1HG ARG 26 9.186 1.122 10.345 172 HG3 ARG 26 2HG ARG 26 7.786 0.048 10.386 173 HD2 ARG 26 1HD ARG 26 9.533 -1.846 10.539 174 HD3 ARG 26 2HD ARG 26 10.656 -0.565 10.991 175 HE ARG 26 HE ARG 26 8.616 -0.152 12.685 176 HH11 ARG 26 1HH1 ARG 26 10.386 -3.022 11.820 177 HH12 ARG 26 2HH1 ARG 26 10.178 -3.774 13.367 178 HH21 ARG 26 1HH2 ARG 26 8.337 -1.131 14.726 179 HH22 ARG 26 2HH2 ARG 26 9.012 -2.698 15.019 180 H GLU 27 H GLU 27 9.436 2.006 6.927 181 HA GLU 27 HA GLU 27 8.685 4.297 8.297 182 HB2 GLU 27 1HB GLU 27 10.776 4.199 7.098 183 HB3 GLU 27 2HB GLU 27 9.938 4.008 5.564 184 HG2 GLU 27 1HG GLU 27 10.720 6.250 5.713 185 HG3 GLU 27 2HG GLU 27 8.965 6.268 5.876 186 H ILE 28 H ILE 28 7.709 3.290 5.023 187 HA ILE 28 HA ILE 28 6.129 5.339 4.230 188 HB ILE 28 HB ILE 28 5.544 2.392 3.953 189 HG12 ILE 28 1HG1 ILE 28 6.663 4.355 1.945 190 HG13 ILE 28 2HG1 ILE 28 7.664 3.319 2.957 191 HG21 ILE 28 1HG2 ILE 28 4.317 4.658 2.391 192 HG22 ILE 28 2HG2 ILE 28 3.977 2.937 2.214 193 HG23 ILE 28 3HG2 ILE 28 3.506 3.782 3.688 194 HD11 ILE 28 1HD1 ILE 28 7.362 2.419 0.704 195 HD12 ILE 28 2HD1 ILE 28 6.695 1.350 1.938 196 HD13 ILE 28 3HD1 ILE 28 5.620 2.357 0.969 197 H ARG 29 H ARG 29 4.936 2.594 6.175 198 HA ARG 29 HA ARG 29 2.387 3.716 6.644 199 HB2 ARG 29 1HB ARG 29 3.954 1.545 8.027 200 HB3 ARG 29 2HB ARG 29 2.344 2.015 8.554 201 HG2 ARG 29 1HG ARG 29 1.359 1.288 6.548 202 HG3 ARG 29 2HG ARG 29 2.920 1.173 5.733 203 HD2 ARG 29 1HD ARG 29 2.092 -1.038 6.315 204 HD3 ARG 29 2HD ARG 29 3.556 -0.663 7.224 205 HE ARG 29 HE ARG 29 1.320 0.065 8.756 206 HH11 ARG 29 1HH1 ARG 29 2.930 -2.777 7.549 207 HH12 ARG 29 2HH1 ARG 29 2.407 -3.787 8.856 208 HH21 ARG 29 1HH2 ARG 29 0.626 -1.255 10.482 209 HH22 ARG 29 2HH2 ARG 29 1.096 -2.921 10.523 210 H LYS 30 H LYS 30 5.350 3.643 8.594 211 HA LYS 30 HA LYS 30 4.522 4.747 10.943 212 HB2 LYS 30 1HB LYS 30 6.898 4.081 10.137 213 HB3 LYS 30 2HB LYS 30 7.029 5.761 9.632 214 HG2 LYS 30 1HG LYS 30 6.219 6.191 12.112 215 HG3 LYS 30 2HG LYS 30 6.934 4.597 12.358 216 HD2 LYS 30 1HD LYS 30 8.917 5.691 10.975 217 HD3 LYS 30 2HD LYS 30 8.224 7.175 11.634 218 HE2 LYS 30 1HE LYS 30 8.503 6.386 13.875 219 HE3 LYS 30 2HE LYS 30 8.967 4.783 13.309 220 HZ1 LYS 30 1HZ LYS 30 10.752 6.413 12.088 221 HZ2 LYS 30 2HZ LYS 30 11.042 5.533 13.503 222 HZ3 LYS 30 3HZ LYS 30 10.563 7.153 13.598 223 H VAL 31 H VAL 31 5.146 6.445 7.910 224 HA VAL 31 HA VAL 31 4.704 9.052 9.009 225 HB VAL 31 HB VAL 31 4.679 8.167 6.120 226 HG11 VAL 31 1HG1 VAL 31 4.434 10.312 5.489 227 HG12 VAL 31 2HG1 VAL 31 3.728 10.512 7.094 228 HG13 VAL 31 3HG1 VAL 31 5.421 10.923 6.816 229 HG21 VAL 31 1HG2 VAL 31 6.817 7.655 6.937 230 HG22 VAL 31 2HG2 VAL 31 6.997 9.239 6.184 231 HG23 VAL 31 3HG2 VAL 31 6.878 9.106 7.938 232 H LEU 32 H LEU 32 2.820 7.009 6.771 233 HA LEU 32 HA LEU 32 0.608 8.447 6.316 234 HB2 LEU 32 1HB LEU 32 0.677 5.555 7.160 235 HB3 LEU 32 2HB LEU 32 -0.712 6.343 6.415 236 HG LEU 32 HG LEU 32 1.958 6.189 5.043 237 HD11 LEU 32 1HD1 LEU 32 0.186 4.022 5.640 238 HD12 LEU 32 2HD1 LEU 32 1.711 4.006 4.755 239 HD13 LEU 32 3HD1 LEU 32 0.200 4.322 3.902 240 HD21 LEU 32 1HD2 LEU 32 0.803 6.783 3.115 241 HD22 LEU 32 2HD2 LEU 32 0.052 7.782 4.359 242 HD23 LEU 32 3HD2 LEU 32 -0.760 6.323 3.790 243 H GLY 33 H GLY 33 0.695 6.244 9.127 244 HA2 GLY 33 1HA GLY 33 -1.516 6.892 10.476 245 HA3 GLY 33 2HA GLY 33 0.013 6.664 11.313 246 H ALA 34 H ALA 34 1.319 8.980 10.259 247 HA ALA 34 HA ALA 34 0.498 10.900 12.150 248 HB1 ALA 34 1HB ALA 34 2.799 10.579 11.062 249 HB2 ALA 34 2HB ALA 34 2.162 11.569 9.747 250 HB3 ALA 34 3HB ALA 34 2.255 12.227 11.381 251 H ASN 35 H ASN 35 0.119 10.784 8.615 252 HA ASN 35 HA ASN 35 -1.494 13.186 8.617 253 HB2 ASN 35 1HB ASN 35 -0.668 11.271 6.432 254 HB3 ASN 35 2HB ASN 35 -1.711 12.661 6.150 255 HD21 ASN 35 1HD2 ASN 35 1.495 11.575 6.831 256 HD22 ASN 35 2HD2 ASN 35 2.285 13.094 6.601 257 H ASN 36 H ASN 36 -2.547 11.073 10.194 258 HA ASN 36 HA ASN 36 -4.376 9.700 10.458 259 HB2 ASN 36 1HB ASN 36 -5.313 12.302 9.331 260 HB3 ASN 36 2HB ASN 36 -6.492 11.012 9.550 261 HD21 ASN 36 1HD2 ASN 36 -7.087 13.066 10.957 262 HD22 ASN 36 2HD2 ASN 36 -6.641 12.917 12.620 263 H CYS 37 H CYS 37 -2.886 9.158 8.020 264 HA CYS 37 HA CYS 37 -4.861 8.605 5.980 265 HB2 CYS 37 1HB CYS 37 -1.902 8.055 6.195 266 HB3 CYS 37 2HB CYS 37 -2.874 7.495 4.839 267 HG CYS 37 HG CYS 37 -2.564 10.790 5.707 268 H ASP 38 H ASP 38 -5.587 6.591 5.341 269 HA ASP 38 HA ASP 38 -5.248 4.468 7.344 270 HB2 ASP 38 1HB ASP 38 -7.469 5.221 5.484 271 HB3 ASP 38 2HB ASP 38 -7.324 3.546 6.010 272 H TYR 39 H TYR 39 -3.944 2.851 6.837 273 HA TYR 39 HA TYR 39 -3.485 2.241 3.995 274 HB2 TYR 39 1HB TYR 39 -1.407 1.054 4.948 275 HB3 TYR 39 2HB TYR 39 -1.408 2.814 4.924 276 HD1 TYR 39 HD1 TYR 39 -2.064 4.024 7.088 277 HD2 TYR 39 HD2 TYR 39 -1.035 -0.102 6.946 278 HE1 TYR 39 HE1 TYR 39 -1.604 4.062 9.504 279 HE2 TYR 39 HE2 TYR 39 -0.573 -0.076 9.362 280 HH TYR 39 HH TYR 39 -1.627 2.107 11.412 281 H GLU 40 H GLU 40 -3.379 0.057 3.322 282 HA GLU 40 HA GLU 40 -4.396 -1.948 5.198 283 HB2 GLU 40 1HB GLU 40 -6.308 -0.936 3.904 284 HB3 GLU 40 2HB GLU 40 -5.573 -1.579 2.442 285 HG2 GLU 40 1HG GLU 40 -6.065 -3.754 2.982 286 HG3 GLU 40 2HG GLU 40 -6.136 -3.422 4.711 287 H GLN 41 H GLN 41 -3.871 -4.090 4.676 288 HA GLN 41 HA GLN 41 -1.461 -4.373 3.148 289 HB2 GLN 41 1HB GLN 41 -2.262 -5.627 5.319 290 HB3 GLN 41 2HB GLN 41 -3.006 -6.723 4.162 291 HG2 GLN 41 1HG GLN 41 -0.119 -5.989 3.922 292 HG3 GLN 41 2HG GLN 41 -0.643 -7.238 5.050 293 HE21 GLN 41 1HE2 GLN 41 0.975 -7.299 2.539 294 HE22 GLN 41 2HE2 GLN 41 0.217 -8.501 1.556 295 H ARG 42 H ARG 42 -1.866 -4.047 0.994 296 HA ARG 42 HA ARG 42 -4.002 -5.518 -0.316 297 HB2 ARG 42 1HB ARG 42 -2.135 -3.327 -1.089 298 HB3 ARG 42 2HB ARG 42 -2.793 -4.337 -2.369 299 HG2 ARG 42 1HG ARG 42 -4.655 -3.174 -0.361 300 HG3 ARG 42 2HG ARG 42 -3.999 -2.136 -1.629 301 HD2 ARG 42 1HD ARG 42 -4.873 -3.598 -3.337 302 HD3 ARG 42 2HD ARG 42 -5.413 -4.753 -2.119 303 HE ARG 42 HE ARG 42 -6.652 -2.368 -1.508 304 HH11 ARG 42 1HH1 ARG 42 -6.563 -4.566 -4.206 305 HH12 ARG 42 2HH1 ARG 42 -8.174 -4.198 -4.727 306 HH21 ARG 42 1HH2 ARG 42 -8.774 -1.875 -2.183 307 HH22 ARG 42 2HH2 ARG 42 -9.430 -2.666 -3.576 308 H GLU 43 H GLU 43 -0.577 -5.054 -1.192 309 HA GLU 43 HA GLU 43 -0.485 -7.908 -1.922 310 HB2 GLU 43 1HB GLU 43 1.347 -5.885 -3.153 311 HB3 GLU 43 2HB GLU 43 0.814 -7.434 -3.790 312 HG2 GLU 43 1HG GLU 43 -1.111 -5.176 -3.415 313 HG3 GLU 43 2HG GLU 43 -0.096 -5.285 -4.851 314 H ARG 44 H ARG 44 2.081 -8.419 -2.238 315 HA ARG 44 HA ARG 44 3.124 -8.855 0.247 316 HB2 ARG 44 1HB ARG 44 4.399 -8.586 -2.449 317 HB3 ARG 44 2HB ARG 44 5.415 -8.796 -1.029 318 HG2 ARG 44 1HG ARG 44 3.145 -10.672 -1.500 319 HG3 ARG 44 2HG ARG 44 4.644 -10.859 -2.414 320 HD2 ARG 44 1HD ARG 44 5.899 -10.971 -0.309 321 HD3 ARG 44 2HD ARG 44 4.392 -10.807 0.591 322 HE ARG 44 HE ARG 44 4.412 -13.022 -1.240 323 HH11 ARG 44 1HH1 ARG 44 5.242 -11.946 1.965 324 HH12 ARG 44 2HH1 ARG 44 5.194 -13.536 2.652 325 HH21 ARG 44 1HH2 ARG 44 4.346 -15.120 -0.348 326 HH22 ARG 44 2HH2 ARG 44 4.686 -15.341 1.335 327 H PHE 45 H PHE 45 4.148 -6.213 -1.924 328 HA PHE 45 HA PHE 45 4.947 -4.697 0.473 329 HB2 PHE 45 1HB PHE 45 6.270 -4.814 -2.240 330 HB3 PHE 45 2HB PHE 45 6.647 -3.587 -1.035 331 HD1 PHE 45 HD1 PHE 45 6.794 -7.184 -1.800 332 HD2 PHE 45 HD2 PHE 45 8.022 -4.076 0.836 333 HE1 PHE 45 HE1 PHE 45 8.427 -8.709 -0.769 334 HE2 PHE 45 HE2 PHE 45 9.657 -5.595 1.871 335 HZ PHE 45 HZ PHE 45 9.863 -7.914 1.068 336 H LEU 46 H LEU 46 2.386 -4.732 -0.981 337 HA LEU 46 HA LEU 46 2.318 -1.899 -1.787 338 HB2 LEU 46 1HB LEU 46 1.973 -3.514 -3.661 339 HB3 LEU 46 2HB LEU 46 0.528 -4.087 -2.831 340 HG LEU 46 HG LEU 46 -0.589 -2.015 -3.176 341 HD11 LEU 46 1HD1 LEU 46 0.714 -0.203 -2.949 342 HD12 LEU 46 2HD1 LEU 46 0.920 -0.352 -4.694 343 HD13 LEU 46 3HD1 LEU 46 2.137 -1.015 -3.603 344 HD21 LEU 46 1HD2 LEU 46 -0.180 -1.742 -5.750 345 HD22 LEU 46 2HD2 LEU 46 -0.903 -3.217 -5.107 346 HD23 LEU 46 3HD2 LEU 46 0.808 -3.187 -5.534 347 H LEU 47 H LEU 47 0.880 -0.626 -0.776 348 HA LEU 47 HA LEU 47 -1.105 -1.924 0.974 349 HB2 LEU 47 1HB LEU 47 0.425 0.629 1.456 350 HB3 LEU 47 2HB LEU 47 -0.852 -0.002 2.494 351 HG LEU 47 HG LEU 47 1.577 -1.660 1.957 352 HD11 LEU 47 1HD1 LEU 47 2.853 -0.615 3.596 353 HD12 LEU 47 2HD1 LEU 47 1.477 0.284 4.234 354 HD13 LEU 47 3HD1 LEU 47 2.179 0.733 2.680 355 HD21 LEU 47 1HD2 LEU 47 -0.206 -2.751 3.110 356 HD22 LEU 47 2HD2 LEU 47 -0.393 -1.395 4.222 357 HD23 LEU 47 3HD2 LEU 47 1.057 -2.397 4.289 358 H PHE 48 H PHE 48 -2.956 -0.456 1.538 359 HA PHE 48 HA PHE 48 -3.725 1.116 -0.832 360 HB2 PHE 48 1HB PHE 48 -5.002 -1.054 -0.184 361 HB3 PHE 48 2HB PHE 48 -5.706 -0.067 1.092 362 HD1 PHE 48 HD1 PHE 48 -7.209 1.765 0.562 363 HD2 PHE 48 HD2 PHE 48 -5.566 -0.699 -2.494 364 HE1 PHE 48 HE1 PHE 48 -8.882 2.624 -1.024 365 HE2 PHE 48 HE2 PHE 48 -7.235 0.157 -4.086 366 HZ PHE 48 HZ PHE 48 -8.896 1.821 -3.352 367 H CYS 49 H CYS 49 -3.044 3.124 -0.163 368 HA CYS 49 HA CYS 49 -3.646 4.150 2.445 369 HB2 CYS 49 1HB CYS 49 -2.789 5.726 0.015 370 HB3 CYS 49 2HB CYS 49 -2.608 6.183 1.705 371 HG CYS 49 HG CYS 49 -0.797 3.940 -0.094 372 H VAL 50 H VAL 50 -5.115 5.774 2.995 373 HA VAL 50 HA VAL 50 -7.063 6.619 0.995 374 HB VAL 50 HB VAL 50 -7.751 4.993 3.430 375 HG11 VAL 50 1HG1 VAL 50 -10.161 5.612 2.797 376 HG12 VAL 50 2HG1 VAL 50 -9.215 6.789 3.711 377 HG13 VAL 50 3HG1 VAL 50 -9.442 6.996 1.973 378 HG21 VAL 50 1HG2 VAL 50 -7.740 3.491 1.736 379 HG22 VAL 50 2HG2 VAL 50 -9.363 4.129 1.470 380 HG23 VAL 50 3HG2 VAL 50 -8.014 4.718 0.499 381 H HIS 51 H HIS 51 -7.656 8.676 1.283 382 HA HIS 51 HA HIS 51 -7.601 9.867 3.939 383 HB2 HIS 51 1HB HIS 51 -5.319 10.143 2.757 384 HB3 HIS 51 2HB HIS 51 -6.160 11.280 1.707 385 HD1 HIS 51 HD1 HIS 51 -6.842 13.545 2.718 386 HD2 HIS 51 HD2 HIS 51 -4.902 11.025 5.392 387 HE1 HIS 51 HE1 HIS 51 -6.260 14.984 4.697 388 HE2 HIS 51 HE2 HIS 51 -5.012 13.457 6.264 389 H GLY 52 H GLY 52 -9.023 11.551 4.193 390 HA2 GLY 52 1HA GLY 52 -10.894 11.942 1.981 391 HA3 GLY 52 2HA GLY 52 -11.167 12.378 3.661 392 H ASP 53 H ASP 53 -8.915 13.896 4.188 393 HA ASP 53 HA ASP 53 -8.492 16.162 4.188 394 HB2 ASP 53 1HB ASP 53 -7.410 16.850 1.987 395 HB3 ASP 53 2HB ASP 53 -6.719 15.443 2.790 396 H GLY 54 H GLY 54 -11.276 15.564 3.681 397 HA2 GLY 54 1HA GLY 54 -12.354 18.003 3.169 398 HA3 GLY 54 2HA GLY 54 -12.165 17.312 1.564 399 H HIS 55 H HIS 55 -14.052 16.591 0.854 400 HA HIS 55 HA HIS 55 -16.030 15.574 2.734 401 HB2 HIS 55 1HB HIS 55 -16.130 16.270 -0.198 402 HB3 HIS 55 2HB HIS 55 -17.465 15.467 0.624 403 HD1 HIS 55 HD1 HIS 55 -18.865 16.873 2.264 404 HD2 HIS 55 HD2 HIS 55 -15.769 18.976 0.461 405 HE1 HIS 55 HE1 HIS 55 -19.315 19.295 2.768 406 HE2 HIS 55 HE2 HIS 55 -17.476 20.554 1.595 407 H ALA 56 H ALA 56 -17.327 13.621 1.952 408 HA ALA 56 HA ALA 56 -15.557 11.400 1.782 409 HB1 ALA 56 1HB ALA 56 -18.549 11.656 1.708 410 HB2 ALA 56 2HB ALA 56 -17.733 10.102 1.537 411 HB3 ALA 56 3HB ALA 56 -17.528 11.048 3.011 412 H GLU 57 H GLU 57 -18.017 12.671 -0.468 413 HA GLU 57 HA GLU 57 -17.520 10.887 -2.559 414 HB2 GLU 57 1HB GLU 57 -18.503 13.743 -2.687 415 HB3 GLU 57 2HB GLU 57 -18.590 12.590 -4.010 416 HG2 GLU 57 1HG GLU 57 -19.837 11.953 -1.372 417 HG3 GLU 57 2HG GLU 57 -20.667 12.992 -2.529 418 H ASN 58 H ASN 58 -15.540 13.307 -1.315 419 HA ASN 58 HA ASN 58 -13.985 13.445 -3.814 420 HB2 ASN 58 1HB ASN 58 -14.250 15.399 -1.530 421 HB3 ASN 58 2HB ASN 58 -12.942 15.501 -2.706 422 HD21 ASN 58 1HD2 ASN 58 -16.466 15.061 -2.684 423 HD22 ASN 58 2HD2 ASN 58 -16.781 16.175 -3.967 424 H LEU 59 H LEU 59 -13.924 11.322 -1.775 425 HA LEU 59 HA LEU 59 -11.533 11.628 -0.241 426 HB2 LEU 59 1HB LEU 59 -13.383 10.124 0.395 427 HB3 LEU 59 2HB LEU 59 -13.013 9.113 -1.001 428 HG LEU 59 HG LEU 59 -10.866 9.605 1.005 429 HD11 LEU 59 1HD1 LEU 59 -11.750 7.508 2.177 430 HD12 LEU 59 2HD1 LEU 59 -13.297 7.901 1.427 431 HD13 LEU 59 3HD1 LEU 59 -12.538 9.046 2.534 432 HD21 LEU 59 1HD2 LEU 59 -10.874 8.233 -1.269 433 HD22 LEU 59 2HD2 LEU 59 -11.498 6.971 -0.206 434 HD23 LEU 59 3HD2 LEU 59 -9.937 7.720 0.135 435 H VAL 60 H VAL 60 -9.508 10.718 -0.579 436 HA VAL 60 HA VAL 60 -8.932 10.027 -3.380 437 HB VAL 60 HB VAL 60 -7.054 11.048 -1.245 438 HG11 VAL 60 1HG1 VAL 60 -6.415 10.870 -4.162 439 HG12 VAL 60 2HG1 VAL 60 -5.321 10.974 -2.782 440 HG13 VAL 60 3HG1 VAL 60 -6.187 9.473 -3.111 441 HG21 VAL 60 1HG2 VAL 60 -8.772 12.373 -3.194 442 HG22 VAL 60 2HG2 VAL 60 -7.962 13.025 -1.770 443 HG23 VAL 60 3HG2 VAL 60 -7.084 12.875 -3.292 444 H GLN 61 H GLN 61 -7.887 8.163 -3.906 445 HA GLN 61 HA GLN 61 -6.991 6.409 -1.734 446 HB2 GLN 61 1HB GLN 61 -8.719 5.470 -4.027 447 HB3 GLN 61 2HB GLN 61 -8.120 4.493 -2.693 448 HG2 GLN 61 1HG GLN 61 -9.423 6.190 -1.218 449 HG3 GLN 61 2HG GLN 61 -10.286 6.541 -2.715 450 HE21 GLN 61 1HE2 GLN 61 -10.710 4.988 -0.017 451 HE22 GLN 61 2HE2 GLN 61 -11.563 3.580 -0.542 452 H TRP 62 H TRP 62 -4.962 5.840 -2.101 453 HA TRP 62 HA TRP 62 -4.131 5.100 -4.796 454 HB2 TRP 62 1HB TRP 62 -2.241 6.545 -4.862 455 HB3 TRP 62 2HB TRP 62 -3.617 7.554 -4.425 456 HD1 TRP 62 HD1 TRP 62 -0.195 6.638 -3.299 457 HE1 TRP 62 HE1 TRP 62 0.298 7.693 -1.003 458 HE3 TRP 62 HE3 TRP 62 -4.925 8.130 -2.059 459 HZ2 TRP 62 HZ2 TRP 62 -1.129 8.986 1.060 460 HZ3 TRP 62 HZ3 TRP 62 -5.276 9.268 0.094 461 HH2 TRP 62 HH2 TRP 62 -3.416 9.686 1.620 462 H GLU 63 H GLU 63 -2.203 3.824 -4.854 463 HA GLU 63 HA GLU 63 -1.584 2.577 -2.258 464 HB2 GLU 63 1HB GLU 63 -1.206 1.270 -4.945 465 HB3 GLU 63 2HB GLU 63 -1.238 0.508 -3.361 466 HG2 GLU 63 1HG GLU 63 -3.602 0.957 -3.151 467 HG3 GLU 63 2HG GLU 63 -3.597 1.829 -4.683 468 H MET 64 H MET 64 0.627 1.548 -2.187 469 HA MET 64 HA MET 64 2.624 2.948 -3.796 470 HB2 MET 64 1HB MET 64 2.593 2.962 -0.774 471 HB3 MET 64 2HB MET 64 3.935 3.515 -1.766 472 HG2 MET 64 1HG MET 64 2.867 5.424 -2.402 473 HG3 MET 64 2HG MET 64 1.263 4.712 -2.240 474 HE1 MET 64 1HE MET 64 4.321 6.086 -0.717 475 HE2 MET 64 2HE MET 64 3.360 7.537 -0.435 476 HE3 MET 64 3HE MET 64 3.921 6.572 0.931 477 H GLU 65 H GLU 65 3.598 1.253 -4.722 478 HA GLU 65 HA GLU 65 4.150 -1.138 -3.131 479 HB2 GLU 65 1HB GLU 65 3.123 -1.586 -5.254 480 HB3 GLU 65 2HB GLU 65 4.304 -0.592 -6.096 481 HG2 GLU 65 1HG GLU 65 6.059 -2.176 -5.553 482 HG3 GLU 65 2HG GLU 65 4.910 -3.160 -4.648 483 H VAL 66 H VAL 66 6.166 -1.818 -2.611 484 HA VAL 66 HA VAL 66 8.369 0.029 -3.219 485 HB VAL 66 HB VAL 66 8.187 -2.071 -1.054 486 HG11 VAL 66 1HG1 VAL 66 10.384 -0.455 -2.092 487 HG12 VAL 66 2HG1 VAL 66 10.159 -0.303 -0.348 488 HG13 VAL 66 3HG1 VAL 66 10.417 -1.892 -1.069 489 HG21 VAL 66 1HG2 VAL 66 6.666 -0.353 -0.492 490 HG22 VAL 66 2HG2 VAL 66 8.129 -0.023 0.436 491 HG23 VAL 66 3HG2 VAL 66 7.779 0.909 -1.020 492 H CYS 67 H CYS 67 9.253 -0.654 -5.102 493 HA CYS 67 HA CYS 67 10.462 -3.321 -5.088 494 HB2 CYS 67 1HB CYS 67 8.238 -3.154 -6.441 495 HB3 CYS 67 2HB CYS 67 9.220 -2.288 -7.617 496 HG CYS 67 HG CYS 67 10.670 -4.329 -8.470 497 H LYS 68 H LYS 68 12.057 -3.524 -6.966 498 HA LYS 68 HA LYS 68 13.823 -1.252 -6.846 499 HB2 LYS 68 1HB LYS 68 13.991 -4.055 -7.828 500 HB3 LYS 68 2HB LYS 68 15.099 -2.885 -8.534 501 HG2 LYS 68 1HG LYS 68 15.693 -2.273 -6.121 502 HG3 LYS 68 2HG LYS 68 14.881 -3.778 -5.682 503 HD2 LYS 68 1HD LYS 68 16.391 -5.037 -7.107 504 HD3 LYS 68 2HD LYS 68 17.167 -3.544 -7.640 505 HE2 LYS 68 1HE LYS 68 18.072 -3.141 -5.489 506 HE3 LYS 68 2HE LYS 68 17.060 -4.383 -4.753 507 HZ1 LYS 68 1HZ LYS 68 18.842 -5.679 -4.991 508 HZ2 LYS 68 2HZ LYS 68 19.589 -4.640 -6.097 509 HZ3 LYS 68 3HZ LYS 68 18.435 -5.757 -6.631 510 H LEU 69 H LEU 69 14.015 0.322 -8.300 511 HA LEU 69 HA LEU 69 12.256 0.594 -10.470 512 HB2 LEU 69 1HB LEU 69 14.889 2.002 -10.063 513 HB3 LEU 69 2HB LEU 69 13.551 2.545 -11.074 514 HG LEU 69 HG LEU 69 13.410 2.280 -8.073 515 HD11 LEU 69 1HD1 LEU 69 14.968 3.995 -8.444 516 HD12 LEU 69 2HD1 LEU 69 13.427 4.818 -8.206 517 HD13 LEU 69 3HD1 LEU 69 14.079 4.619 -9.833 518 HD21 LEU 69 1HD2 LEU 69 11.595 3.811 -9.917 519 HD22 LEU 69 2HD2 LEU 69 11.339 3.395 -8.223 520 HD23 LEU 69 3HD2 LEU 69 11.290 2.136 -9.458 521 HA PRO 70 HA PRO 70 14.181 -1.741 -13.665 522 HB2 PRO 70 1HB PRO 70 13.154 -0.453 -15.823 523 HB3 PRO 70 2HB PRO 70 12.197 -1.536 -14.805 524 HG2 PRO 70 1HG PRO 70 12.340 1.454 -14.779 525 HG3 PRO 70 2HG PRO 70 10.919 0.400 -14.650 526 HD2 PRO 70 1HD PRO 70 12.067 1.569 -12.494 527 HD3 PRO 70 2HD PRO 70 11.277 -0.019 -12.412 528 H ARG 71 H ARG 71 14.223 1.795 -14.110 529 HA ARG 71 HA ARG 71 16.512 1.746 -15.817 530 HB2 ARG 71 1HB ARG 71 14.889 3.871 -14.484 531 HB3 ARG 71 2HB ARG 71 16.475 4.292 -15.117 532 HG2 ARG 71 1HG ARG 71 15.596 3.126 -17.284 533 HG3 ARG 71 2HG ARG 71 14.015 3.454 -16.570 534 HD2 ARG 71 1HD ARG 71 14.504 5.304 -17.955 535 HD3 ARG 71 2HD ARG 71 14.775 5.848 -16.300 536 HE ARG 71 HE ARG 71 17.174 4.872 -17.463 537 HH11 ARG 71 1HH1 ARG 71 15.017 7.605 -17.447 538 HH12 ARG 71 2HH1 ARG 71 16.246 8.743 -17.891 539 HH21 ARG 71 1HH2 ARG 71 18.800 6.361 -18.047 540 HH22 ARG 71 2HH2 ARG 71 18.397 8.034 -18.233 541 H LEU 72 H LEU 72 16.128 3.254 -12.606 542 HA LEU 72 HA LEU 72 18.967 3.214 -12.161 543 HB2 LEU 72 1HB LEU 72 16.657 3.946 -10.371 544 HB3 LEU 72 2HB LEU 72 18.352 4.115 -9.920 545 HG LEU 72 HG LEU 72 18.466 5.601 -12.074 546 HD11 LEU 72 1HD1 LEU 72 15.606 5.132 -11.727 547 HD12 LEU 72 2HD1 LEU 72 16.499 5.734 -13.123 548 HD13 LEU 72 3HD1 LEU 72 16.041 6.838 -11.826 549 HD21 LEU 72 1HD2 LEU 72 17.401 7.485 -10.500 550 HD22 LEU 72 2HD2 LEU 72 18.996 6.785 -10.220 551 HD23 LEU 72 3HD2 LEU 72 17.603 6.198 -9.311 552 H SER 73 H SER 73 19.566 2.492 -9.751 553 HA SER 73 HA SER 73 18.613 -0.283 -9.465 554 HB2 SER 73 1HB SER 73 21.079 0.251 -10.227 555 HB3 SER 73 2HB SER 73 21.326 0.544 -8.505 556 HG SER 73 HG SER 73 21.326 -1.527 -8.209 557 H LEU 74 H LEU 74 17.071 1.295 -8.131 558 HA LEU 74 HA LEU 74 17.831 0.884 -5.353 559 HB2 LEU 74 1HB LEU 74 16.884 3.566 -6.348 560 HB3 LEU 74 2HB LEU 74 17.249 3.136 -4.678 561 HG LEU 74 HG LEU 74 19.635 2.629 -5.741 562 HD11 LEU 74 1HD1 LEU 74 18.590 4.866 -7.466 563 HD12 LEU 74 2HD1 LEU 74 18.845 3.213 -8.023 564 HD13 LEU 74 3HD1 LEU 74 20.214 4.179 -7.474 565 HD21 LEU 74 1HD2 LEU 74 20.362 4.696 -4.866 566 HD22 LEU 74 2HD2 LEU 74 18.953 4.237 -3.909 567 HD23 LEU 74 3HD2 LEU 74 18.802 5.461 -5.170 568 H ASN 75 H ASN 75 16.036 0.916 -3.894 569 HA ASN 75 HA ASN 75 13.578 0.061 -5.169 570 HB2 ASN 75 1HB ASN 75 14.117 0.275 -2.205 571 HB3 ASN 75 2HB ASN 75 12.909 -0.721 -3.012 572 HD21 ASN 75 1HD2 ASN 75 16.019 -0.596 -1.751 573 HD22 ASN 75 2HD2 ASN 75 16.596 -2.111 -2.348 574 H GLY 76 H GLY 76 12.522 1.821 -5.983 575 HA2 GLY 76 1HA GLY 76 12.066 4.121 -4.223 576 HA3 GLY 76 2HA GLY 76 11.751 4.063 -5.951 577 H VAL 77 H VAL 77 9.876 5.116 -4.264 578 HA VAL 77 HA VAL 77 7.902 3.070 -3.670 579 HB VAL 77 HB VAL 77 7.641 6.069 -3.418 580 HG11 VAL 77 1HG1 VAL 77 6.098 4.142 -1.768 581 HG12 VAL 77 2HG1 VAL 77 5.650 5.745 -2.354 582 HG13 VAL 77 3HG1 VAL 77 5.614 4.362 -3.449 583 HG21 VAL 77 1HG2 VAL 77 8.214 5.816 -1.093 584 HG22 VAL 77 2HG2 VAL 77 8.356 4.068 -1.277 585 HG23 VAL 77 3HG2 VAL 77 9.509 5.135 -2.078 586 H ARG 78 H ARG 78 6.502 2.372 -5.131 587 HA ARG 78 HA ARG 78 6.016 3.959 -7.534 588 HB2 ARG 78 1HB ARG 78 5.374 1.096 -6.821 589 HB3 ARG 78 2HB ARG 78 4.860 1.858 -8.320 590 HG2 ARG 78 1HG ARG 78 7.244 2.297 -8.852 591 HG3 ARG 78 2HG ARG 78 7.688 1.379 -7.411 592 HD2 ARG 78 1HD ARG 78 7.851 -0.120 -9.235 593 HD3 ARG 78 2HD ARG 78 6.371 -0.542 -8.376 594 HE ARG 78 HE ARG 78 5.681 1.255 -10.381 595 HH11 ARG 78 1HH1 ARG 78 6.998 -1.956 -10.102 596 HH12 ARG 78 2HH1 ARG 78 6.336 -2.499 -11.609 597 HH21 ARG 78 1HH2 ARG 78 4.805 0.552 -12.366 598 HH22 ARG 78 2HH2 ARG 78 5.090 -1.071 -12.896 599 H PHE 79 H PHE 79 4.395 5.364 -7.431 600 HA PHE 79 HA PHE 79 2.117 4.862 -5.692 601 HB2 PHE 79 1HB PHE 79 2.938 7.256 -7.340 602 HB3 PHE 79 2HB PHE 79 1.440 7.184 -6.419 603 HD1 PHE 79 HD2 PHE 79 5.105 6.678 -5.953 604 HD2 PHE 79 HD1 PHE 79 1.429 8.028 -4.285 605 HE1 PHE 79 HE2 PHE 79 6.304 7.457 -3.951 606 HE2 PHE 79 HE1 PHE 79 2.623 8.810 -2.280 607 HZ PHE 79 HZ PHE 79 5.063 8.524 -2.111 608 H LYS 80 H LYS 80 0.095 4.381 -6.357 609 HA LYS 80 HA LYS 80 -0.504 4.449 -9.227 610 HB2 LYS 80 1HB LYS 80 0.245 2.120 -8.213 611 HB3 LYS 80 2HB LYS 80 -1.421 2.085 -7.650 612 HG2 LYS 80 1HG LYS 80 -0.815 2.662 -10.518 613 HG3 LYS 80 2HG LYS 80 -0.819 1.002 -9.917 614 HD2 LYS 80 1HD LYS 80 -3.122 1.455 -9.005 615 HD3 LYS 80 2HD LYS 80 -3.092 2.980 -9.893 616 HE2 LYS 80 1HE LYS 80 -2.610 0.324 -11.218 617 HE3 LYS 80 2HE LYS 80 -4.224 1.008 -11.031 618 HZ1 LYS 80 1HZ LYS 80 -1.976 1.993 -12.661 619 HZ2 LYS 80 2HZ LYS 80 -3.181 3.062 -12.146 620 HZ3 LYS 80 3HZ LYS 80 -3.586 1.733 -13.112 621 H ARG 81 H ARG 81 -2.140 5.851 -9.319 622 HA ARG 81 HA ARG 81 -3.926 6.428 -7.238 623 HB2 ARG 81 1HB ARG 81 -3.381 7.798 -9.346 624 HB3 ARG 81 2HB ARG 81 -4.590 6.804 -10.148 625 HG2 ARG 81 1HG ARG 81 -6.296 7.578 -8.631 626 HG3 ARG 81 2HG ARG 81 -5.100 8.487 -7.705 627 HD2 ARG 81 1HD ARG 81 -6.077 10.105 -9.062 628 HD3 ARG 81 2HD ARG 81 -4.600 9.683 -9.926 629 HE ARG 81 HE ARG 81 -7.322 9.155 -10.756 630 HH11 ARG 81 1HH1 ARG 81 -3.946 8.422 -11.189 631 HH12 ARG 81 2HH1 ARG 81 -4.151 7.810 -12.797 632 HH21 ARG 81 1HH2 ARG 81 -7.605 8.352 -12.872 633 HH22 ARG 81 2HH2 ARG 81 -6.232 7.772 -13.753 634 H ILE 82 H ILE 82 -6.224 6.033 -7.125 635 HA ILE 82 HA ILE 82 -7.052 3.515 -8.408 636 HB ILE 82 HB ILE 82 -7.619 4.335 -5.557 637 HG12 ILE 82 1HG1 ILE 82 -5.349 3.540 -5.778 638 HG13 ILE 82 2HG1 ILE 82 -6.309 2.279 -5.012 639 HG21 ILE 82 1HG2 ILE 82 -9.444 3.102 -6.826 640 HG22 ILE 82 2HG2 ILE 82 -8.341 1.727 -6.860 641 HG23 ILE 82 3HG2 ILE 82 -8.895 2.373 -5.316 642 HD11 ILE 82 1HD1 ILE 82 -6.469 1.727 -7.725 643 HD12 ILE 82 2HD1 ILE 82 -4.794 2.210 -7.458 644 HD13 ILE 82 3HD1 ILE 82 -5.489 0.888 -6.522 645 H SER 83 H SER 83 -8.312 6.285 -6.546 646 HA SER 83 HA SER 83 -10.424 6.601 -8.546 647 HB2 SER 83 1HB SER 83 -12.119 6.892 -6.729 648 HB3 SER 83 2HB SER 83 -11.488 5.250 -6.844 649 HG SER 83 HG SER 83 -11.226 7.112 -4.826 650 H GLY 84 H GLY 84 -11.699 8.676 -8.086 651 HA2 GLY 84 1HA GLY 84 -11.766 10.919 -7.426 652 HA3 GLY 84 2HA GLY 84 -10.204 10.713 -6.646 653 H THR 85 H THR 85 -10.361 12.969 -7.910 654 HA THR 85 HA THR 85 -9.459 12.658 -10.669 655 HB THR 85 HB THR 85 -11.101 14.409 -10.252 656 HG1 THR 85 HG1 THR 85 -9.122 14.681 -11.711 657 HG21 THR 85 1HG2 THR 85 -10.610 16.337 -8.869 658 HG22 THR 85 2HG2 THR 85 -9.017 15.688 -8.479 659 HG23 THR 85 3HG2 THR 85 -10.469 14.870 -7.902 660 H SER 86 H SER 86 -7.510 13.659 -11.428 661 HA SER 86 HA SER 86 -5.229 13.017 -10.015 662 HB2 SER 86 1HB SER 86 -5.127 13.397 -12.395 663 HB3 SER 86 2HB SER 86 -5.610 15.081 -12.194 664 HG SER 86 HG SER 86 -3.170 13.848 -11.477 665 H ILE 87 H ILE 87 -6.742 16.221 -10.341 666 HA ILE 87 HA ILE 87 -5.063 17.861 -9.033 667 HB ILE 87 HB ILE 87 -8.055 17.705 -8.693 668 HG12 ILE 87 1HG1 ILE 87 -6.321 19.591 -10.303 669 HG13 ILE 87 2HG1 ILE 87 -7.151 18.187 -10.964 670 HG21 ILE 87 1HG2 ILE 87 -7.450 18.899 -6.798 671 HG22 ILE 87 2HG2 ILE 87 -6.075 19.661 -7.595 672 HG23 ILE 87 3HG2 ILE 87 -7.716 20.170 -7.991 673 HD11 ILE 87 1HD1 ILE 87 -8.566 19.925 -11.498 674 HD12 ILE 87 2HD1 ILE 87 -9.278 19.299 -10.010 675 HD13 ILE 87 3HD1 ILE 87 -8.289 20.758 -9.968 676 H ALA 88 H ALA 88 -7.620 16.118 -7.252 677 HA ALA 88 HA ALA 88 -6.658 16.668 -4.696 678 HB1 ALA 88 1HB ALA 88 -7.957 14.057 -4.977 679 HB2 ALA 88 2HB ALA 88 -8.403 15.449 -3.990 680 HB3 ALA 88 3HB ALA 88 -8.848 15.399 -5.696 681 H PHE 89 H PHE 89 -6.172 13.740 -6.669 682 HA PHE 89 HA PHE 89 -4.657 12.217 -4.998 683 HB2 PHE 89 1HB PHE 89 -5.283 11.424 -7.195 684 HB3 PHE 89 2HB PHE 89 -4.269 12.639 -7.966 685 HD1 PHE 89 HD1 PHE 89 -3.601 10.301 -5.143 686 HD2 PHE 89 HD2 PHE 89 -2.587 11.538 -9.088 687 HE1 PHE 89 HE1 PHE 89 -1.719 8.717 -5.153 688 HE2 PHE 89 HE2 PHE 89 -0.704 9.955 -9.104 689 HZ PHE 89 HZ PHE 89 -0.268 8.541 -7.135 690 H LYS 90 H LYS 90 -3.290 14.566 -7.310 691 HA LYS 90 HA LYS 90 -0.646 14.409 -6.494 692 HB2 LYS 90 1HB LYS 90 -1.424 15.597 -8.518 693 HB3 LYS 90 2HB LYS 90 -2.098 16.864 -7.501 694 HG2 LYS 90 1HG LYS 90 -0.018 17.681 -6.912 695 HG3 LYS 90 2HG LYS 90 0.800 16.167 -7.304 696 HD2 LYS 90 1HD LYS 90 1.346 17.790 -8.988 697 HD3 LYS 90 2HD LYS 90 0.281 16.577 -9.703 698 HE2 LYS 90 1HE LYS 90 -0.924 19.033 -8.523 699 HE3 LYS 90 2HE LYS 90 -0.120 19.153 -10.087 700 HZ1 LYS 90 1HZ LYS 90 -2.018 16.966 -9.735 701 HZ2 LYS 90 2HZ LYS 90 -1.701 17.914 -11.099 702 HZ3 LYS 90 3HZ LYS 90 -2.664 18.526 -9.850 703 H ASN 91 H ASN 91 -3.132 16.715 -5.396 704 HA ASN 91 HA ASN 91 -1.709 18.217 -3.622 705 HB2 ASN 91 1HB ASN 91 -4.535 17.289 -3.716 706 HB3 ASN 91 2HB ASN 91 -3.975 18.020 -2.214 707 HD21 ASN 91 1HD2 ASN 91 -5.946 19.256 -3.508 708 HD22 ASN 91 2HD2 ASN 91 -5.384 20.701 -4.271 709 H ILE 92 H ILE 92 -3.738 15.577 -2.378 710 HA ILE 92 HA ILE 92 -2.473 15.332 0.073 711 HB ILE 92 HB ILE 92 -4.592 14.278 -0.250 712 HG12 ILE 92 1HG1 ILE 92 -4.106 11.947 0.528 713 HG13 ILE 92 2HG1 ILE 92 -2.406 12.229 0.167 714 HG21 ILE 92 1HG2 ILE 92 -3.673 12.051 -1.920 715 HG22 ILE 92 2HG2 ILE 92 -5.170 12.979 -1.986 716 HG23 ILE 92 3HG2 ILE 92 -3.705 13.616 -2.732 717 HD11 ILE 92 1HD1 ILE 92 -2.485 12.652 2.416 718 HD12 ILE 92 2HD1 ILE 92 -2.703 14.272 1.753 719 HD13 ILE 92 3HD1 ILE 92 -4.097 13.363 2.338 720 H ALA 93 H ALA 93 -1.639 13.912 -3.022 721 HA ALA 93 HA ALA 93 0.207 11.992 -2.111 722 HB1 ALA 93 1HB ALA 93 0.116 13.464 -4.742 723 HB2 ALA 93 2HB ALA 93 1.078 12.023 -4.409 724 HB3 ALA 93 3HB ALA 93 -0.683 11.937 -4.366 725 H SER 94 H SER 94 0.519 15.420 -2.831 726 HA SER 94 HA SER 94 3.334 15.562 -2.795 727 HB2 SER 94 1HB SER 94 1.120 17.551 -2.450 728 HB3 SER 94 2HB SER 94 2.777 18.035 -2.090 729 HG SER 94 HG SER 94 2.225 18.449 -4.268 730 H LYS 95 H LYS 95 1.020 15.201 -0.290 731 HA LYS 95 HA LYS 95 2.634 16.269 1.829 732 HB2 LYS 95 1HB LYS 95 0.257 14.407 1.997 733 HB3 LYS 95 2HB LYS 95 0.940 15.346 3.318 734 HG2 LYS 95 1HG LYS 95 0.004 16.780 0.885 735 HG3 LYS 95 2HG LYS 95 -1.192 16.161 2.027 736 HD2 LYS 95 1HD LYS 95 1.140 17.793 2.970 737 HD3 LYS 95 2HD LYS 95 -0.311 18.570 2.333 738 HE2 LYS 95 1HE LYS 95 -0.374 16.529 4.544 739 HE3 LYS 95 2HE LYS 95 -0.220 18.260 4.841 740 HZ1 LYS 95 1HZ LYS 95 -2.483 16.870 3.516 741 HZ2 LYS 95 2HZ LYS 95 -2.319 18.552 3.582 742 HZ3 LYS 95 3HZ LYS 95 -2.506 17.664 5.010 743 H ILE 96 H ILE 96 1.895 13.032 0.596 744 HA ILE 96 HA ILE 96 3.393 11.641 2.570 745 HB ILE 96 HB ILE 96 2.672 10.685 -0.201 746 HG12 ILE 96 1HG1 ILE 96 0.757 11.539 1.268 747 HG13 ILE 96 2HG1 ILE 96 0.614 9.897 0.650 748 HG21 ILE 96 1HG2 ILE 96 4.143 9.102 0.554 749 HG22 ILE 96 2HG2 ILE 96 3.743 9.379 2.248 750 HG23 ILE 96 3HG2 ILE 96 2.637 8.470 1.218 751 HD11 ILE 96 1HD1 ILE 96 -0.024 10.258 3.061 752 HD12 ILE 96 2HD1 ILE 96 1.129 8.961 2.745 753 HD13 ILE 96 3HD1 ILE 96 1.692 10.506 3.382 754 H ALA 97 H ALA 97 4.078 11.978 -0.917 755 HA ALA 97 HA ALA 97 6.594 11.039 -1.080 756 HB1 ALA 97 1HB ALA 97 5.846 11.769 -3.107 757 HB2 ALA 97 2HB ALA 97 5.227 13.288 -2.458 758 HB3 ALA 97 3HB ALA 97 6.959 13.081 -2.717 759 H ASN 98 H ASN 98 5.791 14.367 -0.096 760 HA ASN 98 HA ASN 98 8.464 15.137 0.421 761 HB2 ASN 98 1HB ASN 98 6.558 16.714 0.029 762 HB3 ASN 98 2HB ASN 98 5.952 16.308 1.632 763 HD21 ASN 98 1HD2 ASN 98 7.907 18.356 -0.134 764 HD22 ASN 98 2HD2 ASN 98 8.769 19.089 1.171 765 H GLU 99 H GLU 99 5.837 14.639 2.787 766 HA GLU 99 HA GLU 99 7.207 14.667 5.109 767 HB2 GLU 99 1HB GLU 99 4.905 12.981 4.204 768 HB3 GLU 99 2HB GLU 99 5.600 12.705 5.796 769 HG2 GLU 99 1HG GLU 99 4.340 15.228 4.759 770 HG3 GLU 99 2HG GLU 99 3.750 14.175 6.044 771 H LEU 100 H LEU 100 6.720 11.681 3.215 772 HA LEU 100 HA LEU 100 8.071 9.825 4.565 773 HB2 LEU 100 1HB LEU 100 8.275 10.433 1.627 774 HB3 LEU 100 2HB LEU 100 8.978 8.988 2.351 775 HG LEU 100 HG LEU 100 6.044 9.660 2.493 776 HD11 LEU 100 1HD1 LEU 100 5.777 7.945 0.727 777 HD12 LEU 100 2HD1 LEU 100 7.528 7.936 0.517 778 HD13 LEU 100 3HD1 LEU 100 6.606 9.399 0.171 779 HD21 LEU 100 1HD2 LEU 100 7.141 8.085 4.174 780 HD22 LEU 100 2HD2 LEU 100 7.372 6.985 2.814 781 HD23 LEU 100 3HD2 LEU 100 5.744 7.475 3.287 782 H LYS 101 H LYS 101 9.962 9.682 5.555 783 HA LYS 101 HA LYS 101 12.129 11.483 4.754 784 HB2 LYS 101 1HB LYS 101 11.789 9.820 7.257 785 HB3 LYS 101 2HB LYS 101 13.122 10.924 6.944 786 HG2 LYS 101 1HG LYS 101 11.139 12.644 6.614 787 HG3 LYS 101 2HG LYS 101 10.306 11.500 7.669 788 HD2 LYS 101 1HD LYS 101 11.244 12.972 9.188 789 HD3 LYS 101 2HD LYS 101 12.451 11.685 9.127 790 HE2 LYS 101 1HE LYS 101 13.889 12.959 7.767 791 HE3 LYS 101 2HE LYS 101 12.620 14.116 7.368 792 HZ1 LYS 101 1HZ LYS 101 14.166 15.039 8.966 793 HZ2 LYS 101 2HZ LYS 101 13.873 13.765 10.038 794 HZ3 LYS 101 3HZ LYS 101 12.639 14.862 9.673 795 H LEU 102 H LEU 102 11.560 9.195 3.143 796 HA LEU 102 HA LEU 102 13.333 7.057 3.740 797 HB2 LEU 102 1HB LEU 102 12.206 7.883 1.070 798 HB3 LEU 102 2HB LEU 102 12.911 6.318 1.467 799 HG LEU 102 HG LEU 102 10.474 7.327 2.897 800 HD11 LEU 102 1HD1 LEU 102 9.055 6.290 1.294 801 HD12 LEU 102 2HD1 LEU 102 10.433 5.664 0.388 802 HD13 LEU 102 3HD1 LEU 102 10.113 7.398 0.420 803 HD21 LEU 102 1HD2 LEU 102 11.412 5.459 3.963 804 HD22 LEU 102 2HD2 LEU 102 11.770 4.656 2.434 805 HD23 LEU 102 3HD2 LEU 102 10.099 4.809 2.981 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 10.057 17.453 -26.703 2 HA2 GLY 1 1HA GLY 1 8.858 15.862 -25.562 3 HA3 GLY 1 2HA GLY 1 10.388 15.339 -24.875 4 H SER 2 H SER 2 7.431 16.200 -24.000 5 HA SER 2 HA SER 2 8.028 18.061 -21.879 6 HB2 SER 2 1HB SER 2 5.536 16.544 -22.660 7 HB3 SER 2 2HB SER 2 5.611 17.573 -21.230 8 HG SER 2 HG SER 2 6.272 19.284 -22.692 9 H SER 3 H SER 3 8.883 17.505 -20.000 10 HA SER 3 HA SER 3 9.598 16.266 -18.227 11 HB2 SER 3 1HB SER 3 6.775 15.353 -18.643 12 HB3 SER 3 2HB SER 3 7.771 14.555 -17.426 13 HG SER 3 HG SER 3 7.676 17.354 -17.475 14 H GLY 4 H GLY 4 10.581 15.381 -20.674 15 HA2 GLY 4 1HA GLY 4 12.083 13.420 -20.705 16 HA3 GLY 4 2HA GLY 4 10.688 12.460 -20.233 17 H SER 5 H SER 5 8.750 12.835 -21.836 18 HA SER 5 HA SER 5 9.452 13.301 -24.570 19 HB2 SER 5 1HB SER 5 8.954 10.959 -25.329 20 HB3 SER 5 2HB SER 5 10.458 11.117 -24.423 21 HG SER 5 HG SER 5 7.966 10.210 -23.407 22 H SER 6 H SER 6 7.626 13.075 -26.013 23 HA SER 6 HA SER 6 5.178 13.835 -24.754 24 HB2 SER 6 1HB SER 6 5.870 13.262 -27.642 25 HB3 SER 6 2HB SER 6 4.295 13.850 -27.111 26 HG SER 6 HG SER 6 5.326 15.687 -27.520 27 H GLY 7 H GLY 7 4.493 12.096 -23.498 28 HA2 GLY 7 1HA GLY 7 2.604 10.471 -23.867 29 HA3 GLY 7 2HA GLY 7 3.687 9.689 -25.011 30 H ARG 8 H ARG 8 3.171 10.435 -21.609 31 HA ARG 8 HA ARG 8 5.364 8.901 -20.647 32 HB2 ARG 8 1HB ARG 8 2.868 9.961 -19.330 33 HB3 ARG 8 2HB ARG 8 4.078 9.035 -18.452 34 HG2 ARG 8 1HG ARG 8 5.669 10.705 -18.620 35 HG3 ARG 8 2HG ARG 8 4.875 11.460 -20.004 36 HD2 ARG 8 1HD ARG 8 4.397 12.911 -18.250 37 HD3 ARG 8 2HD ARG 8 2.942 11.923 -18.371 38 HE ARG 8 HE ARG 8 4.348 10.590 -16.529 39 HH11 ARG 8 1HH1 ARG 8 3.618 13.977 -16.865 40 HH12 ARG 8 2HH1 ARG 8 3.635 14.284 -15.160 41 HH21 ARG 8 1HH2 ARG 8 4.373 10.981 -14.282 42 HH22 ARG 8 2HH2 ARG 8 4.066 12.579 -13.692 43 H PHE 9 H PHE 9 5.555 6.770 -20.532 44 HA PHE 9 HA PHE 9 3.277 5.078 -21.099 45 HB2 PHE 9 1HB PHE 9 6.229 4.609 -20.798 46 HB3 PHE 9 2HB PHE 9 5.106 3.254 -20.815 47 HD1 PHE 9 HD1 PHE 9 3.243 3.622 -22.813 48 HD2 PHE 9 HD2 PHE 9 7.281 4.967 -22.792 49 HE1 PHE 9 HE1 PHE 9 3.242 3.652 -25.273 50 HE2 PHE 9 HE2 PHE 9 7.286 5.000 -25.252 51 HZ PHE 9 HZ PHE 9 5.264 4.343 -26.496 52 H THR 10 H THR 10 5.691 5.318 -18.489 53 HA THR 10 HA THR 10 3.719 4.072 -16.685 54 HB THR 10 HB THR 10 5.765 3.371 -15.324 55 HG1 THR 10 HG1 THR 10 6.994 4.064 -17.798 56 HG21 THR 10 1HG2 THR 10 4.365 1.842 -16.716 57 HG22 THR 10 2HG2 THR 10 6.048 1.334 -16.569 58 HG23 THR 10 3HG2 THR 10 5.486 2.108 -18.051 59 H TRP 11 H TRP 11 3.546 4.884 -14.583 60 HA TRP 11 HA TRP 11 3.624 7.593 -14.214 61 HB2 TRP 11 1HB TRP 11 3.640 7.066 -11.730 62 HB3 TRP 11 2HB TRP 11 2.380 6.278 -12.675 63 HD1 TRP 11 HD1 TRP 11 6.040 5.244 -11.841 64 HE1 TRP 11 HE1 TRP 11 5.992 2.813 -10.996 65 HE3 TRP 11 HE3 TRP 11 1.003 4.401 -12.079 66 HZ2 TRP 11 HZ2 TRP 11 4.073 0.804 -10.497 67 HZ3 TRP 11 HZ3 TRP 11 0.143 2.198 -11.401 68 HH2 TRP 11 HH2 TRP 11 1.648 0.438 -10.627 69 H SER 12 H SER 12 4.943 8.789 -12.509 70 HA SER 12 HA SER 12 7.772 7.999 -12.595 71 HB2 SER 12 1HB SER 12 8.428 10.309 -13.099 72 HB3 SER 12 2HB SER 12 7.395 9.663 -14.374 73 HG SER 12 HG SER 12 6.698 11.727 -13.827 74 H MET 13 H MET 13 9.099 9.379 -11.057 75 HA MET 13 HA MET 13 7.825 10.716 -8.905 76 HB2 MET 13 1HB MET 13 8.473 9.010 -7.147 77 HB3 MET 13 2HB MET 13 7.085 8.597 -8.144 78 HG2 MET 13 1HG MET 13 8.180 6.616 -8.199 79 HG3 MET 13 2HG MET 13 8.930 7.391 -9.592 80 HE1 MET 13 1HE MET 13 8.997 7.021 -5.873 81 HE2 MET 13 2HE MET 13 10.682 6.732 -5.441 82 HE3 MET 13 3HE MET 13 10.109 8.380 -5.703 83 H LYS 14 H LYS 14 9.354 11.378 -7.231 84 HA LYS 14 HA LYS 14 12.163 11.158 -8.081 85 HB2 LYS 14 1HB LYS 14 12.516 13.503 -7.527 86 HB3 LYS 14 2HB LYS 14 11.256 13.349 -8.745 87 HG2 LYS 14 1HG LYS 14 9.648 13.415 -6.701 88 HG3 LYS 14 2HG LYS 14 11.032 14.140 -5.878 89 HD2 LYS 14 1HD LYS 14 11.154 15.830 -7.697 90 HD3 LYS 14 2HD LYS 14 9.677 15.146 -8.380 91 HE2 LYS 14 1HE LYS 14 8.375 15.857 -6.584 92 HE3 LYS 14 2HE LYS 14 9.771 16.054 -5.526 93 HZ1 LYS 14 1HZ LYS 14 8.791 17.834 -7.652 94 HZ2 LYS 14 2HZ LYS 14 10.432 17.854 -7.242 95 HZ3 LYS 14 3HZ LYS 14 9.264 18.212 -6.072 96 H THR 15 H THR 15 10.078 10.332 -5.777 97 HA THR 15 HA THR 15 11.700 11.060 -3.469 98 HB THR 15 HB THR 15 9.169 9.409 -3.553 99 HG1 THR 15 HG1 THR 15 9.644 12.183 -3.392 100 HG21 THR 15 1HG2 THR 15 9.937 8.927 -1.469 101 HG22 THR 15 2HG2 THR 15 9.226 10.499 -1.102 102 HG23 THR 15 3HG2 THR 15 10.959 10.362 -1.397 103 H THR 16 H THR 16 13.343 9.626 -4.862 104 HA THR 16 HA THR 16 13.091 6.791 -4.403 105 HB THR 16 HB THR 16 15.263 6.582 -5.458 106 HG1 THR 16 HG1 THR 16 15.361 9.359 -4.975 107 HG21 THR 16 1HG2 THR 16 13.298 8.449 -6.743 108 HG22 THR 16 2HG2 THR 16 13.614 6.750 -7.096 109 HG23 THR 16 3HG2 THR 16 14.778 7.983 -7.580 110 H SER 17 H SER 17 14.347 5.525 -3.028 111 HA SER 17 HA SER 17 15.765 6.999 -0.904 112 HB2 SER 17 1HB SER 17 13.534 5.973 -0.241 113 HB3 SER 17 2HB SER 17 14.283 4.397 -0.496 114 HG SER 17 HG SER 17 14.844 4.666 1.523 115 H SER 18 H SER 18 17.411 5.714 0.243 116 HA SER 18 HA SER 18 18.644 3.691 -1.511 117 HB2 SER 18 1HB SER 18 20.861 4.573 -0.672 118 HB3 SER 18 2HB SER 18 19.973 5.671 -1.728 119 HG SER 18 HG SER 18 20.703 6.816 0.050 120 H MET 19 H MET 19 17.488 2.156 -0.149 121 HA MET 19 HA MET 19 19.145 1.083 1.874 122 HB2 MET 19 1HB MET 19 17.719 1.356 3.816 123 HB3 MET 19 2HB MET 19 18.159 2.935 3.181 124 HG2 MET 19 1HG MET 19 15.919 2.837 1.938 125 HG3 MET 19 2HG MET 19 15.524 1.524 3.045 126 HE1 MET 19 1HE MET 19 13.528 3.440 5.245 127 HE2 MET 19 2HE MET 19 13.920 1.985 4.329 128 HE3 MET 19 3HE MET 19 14.689 2.279 5.889 129 H ASP 20 H ASP 20 17.957 -0.772 3.046 130 HA ASP 20 HA ASP 20 16.924 -2.518 1.105 131 HB2 ASP 20 1HB ASP 20 17.138 -2.596 4.092 132 HB3 ASP 20 2HB ASP 20 16.202 -3.834 3.259 133 HA PRO 21 HA PRO 21 12.643 -1.549 0.930 134 HB2 PRO 21 1HB PRO 21 11.632 -3.981 0.270 135 HB3 PRO 21 2HB PRO 21 12.535 -2.974 -0.868 136 HG2 PRO 21 1HG PRO 21 13.475 -5.306 0.757 137 HG3 PRO 21 2HG PRO 21 13.815 -4.915 -0.939 138 HD2 PRO 21 1HD PRO 21 15.576 -4.409 1.054 139 HD3 PRO 21 2HD PRO 21 15.447 -3.383 -0.389 140 H SER 22 H SER 22 13.496 -4.494 2.727 141 HA SER 22 HA SER 22 11.174 -4.954 4.112 142 HB2 SER 22 1HB SER 22 13.447 -6.214 4.174 143 HB3 SER 22 2HB SER 22 13.823 -5.142 5.522 144 HG SER 22 HG SER 22 12.604 -7.348 5.760 145 H ASP 23 H ASP 23 13.318 -2.288 4.417 146 HA ASP 23 HA ASP 23 12.249 -1.501 7.014 147 HB2 ASP 23 1HB ASP 23 14.489 -0.535 5.273 148 HB3 ASP 23 2HB ASP 23 13.829 0.532 6.509 149 H MET 24 H MET 24 12.150 -0.536 3.633 150 HA MET 24 HA MET 24 10.942 1.941 3.824 151 HB2 MET 24 1HB MET 24 10.924 -0.229 1.782 152 HB3 MET 24 2HB MET 24 9.759 1.077 1.603 153 HG2 MET 24 1HG MET 24 12.605 1.777 2.083 154 HG3 MET 24 2HG MET 24 12.137 1.184 0.491 155 HE1 MET 24 1HE MET 24 9.949 2.910 -1.039 156 HE2 MET 24 2HE MET 24 11.249 4.074 -1.297 157 HE3 MET 24 3HE MET 24 11.618 2.352 -1.176 158 H MET 25 H MET 25 9.200 -1.121 3.229 159 HA MET 25 HA MET 25 6.631 -0.320 3.431 160 HB2 MET 25 1HB MET 25 7.982 -2.811 4.413 161 HB3 MET 25 2HB MET 25 6.258 -2.583 4.674 162 HG2 MET 25 1HG MET 25 7.635 -2.540 1.999 163 HG3 MET 25 2HG MET 25 6.737 -3.900 2.669 164 HE1 MET 25 1HE MET 25 4.572 -4.070 3.167 165 HE2 MET 25 2HE MET 25 3.247 -2.940 2.889 166 HE3 MET 25 3HE MET 25 3.810 -3.980 1.579 167 H ARG 26 H ARG 26 8.830 -0.863 6.145 168 HA ARG 26 HA ARG 26 6.924 -0.468 8.193 169 HB2 ARG 26 1HB ARG 26 9.277 -1.492 8.355 170 HB3 ARG 26 2HB ARG 26 9.855 0.166 8.456 171 HG2 ARG 26 1HG ARG 26 8.448 0.514 10.443 172 HG3 ARG 26 2HG ARG 26 7.941 -1.174 10.355 173 HD2 ARG 26 1HD ARG 26 9.968 -1.964 11.054 174 HD3 ARG 26 2HD ARG 26 10.854 -0.593 10.386 175 HE ARG 26 HE ARG 26 9.487 0.553 12.385 176 HH11 ARG 26 1HH1 ARG 26 11.423 -2.338 12.258 177 HH12 ARG 26 2HH1 ARG 26 11.924 -2.231 13.913 178 HH21 ARG 26 1HH2 ARG 26 10.139 0.704 14.565 179 HH22 ARG 26 2HH2 ARG 26 11.192 -0.501 15.225 180 H GLU 27 H GLU 27 9.418 1.732 6.898 181 HA GLU 27 HA GLU 27 8.712 3.985 8.369 182 HB2 GLU 27 1HB GLU 27 10.779 3.752 7.008 183 HB3 GLU 27 2HB GLU 27 9.809 3.934 5.553 184 HG2 GLU 27 1HG GLU 27 10.629 6.057 5.851 185 HG3 GLU 27 2HG GLU 27 9.054 6.162 6.636 186 H ILE 28 H ILE 28 7.669 3.064 5.091 187 HA ILE 28 HA ILE 28 6.069 5.161 4.419 188 HB ILE 28 HB ILE 28 5.581 2.223 3.952 189 HG12 ILE 28 1HG1 ILE 28 6.461 4.333 1.985 190 HG13 ILE 28 2HG1 ILE 28 7.611 3.438 2.973 191 HG21 ILE 28 1HG2 ILE 28 4.137 4.582 2.751 192 HG22 ILE 28 2HG2 ILE 28 3.998 2.915 2.193 193 HG23 ILE 28 3HG2 ILE 28 3.447 3.352 3.811 194 HD11 ILE 28 1HD1 ILE 28 6.248 2.653 0.556 195 HD12 ILE 28 2HD1 ILE 28 7.643 1.928 1.356 196 HD13 ILE 28 3HD1 ILE 28 6.010 1.480 1.850 197 H ARG 29 H ARG 29 4.907 2.264 6.154 198 HA ARG 29 HA ARG 29 2.336 3.201 6.684 199 HB2 ARG 29 1HB ARG 29 4.103 1.158 7.983 200 HB3 ARG 29 2HB ARG 29 2.560 1.571 8.717 201 HG2 ARG 29 1HG ARG 29 1.359 0.836 6.804 202 HG3 ARG 29 2HG ARG 29 2.842 0.672 5.862 203 HD2 ARG 29 1HD ARG 29 2.164 -0.933 8.324 204 HD3 ARG 29 2HD ARG 29 1.956 -1.492 6.665 205 HE ARG 29 HE ARG 29 4.585 -0.753 6.831 206 HH11 ARG 29 1HH1 ARG 29 2.514 -2.964 8.547 207 HH12 ARG 29 2HH1 ARG 29 3.793 -4.069 8.929 208 HH21 ARG 29 1HH2 ARG 29 6.276 -2.200 7.328 209 HH22 ARG 29 2HH2 ARG 29 5.932 -3.633 8.236 210 H LYS 30 H LYS 30 5.314 3.511 8.572 211 HA LYS 30 HA LYS 30 4.274 4.644 10.883 212 HB2 LYS 30 1HB LYS 30 6.580 3.953 10.782 213 HB3 LYS 30 2HB LYS 30 6.923 5.116 9.509 214 HG2 LYS 30 1HG LYS 30 6.855 6.923 10.966 215 HG3 LYS 30 2HG LYS 30 5.951 6.026 12.188 216 HD2 LYS 30 1HD LYS 30 7.824 4.908 12.943 217 HD3 LYS 30 2HD LYS 30 8.686 5.107 11.415 218 HE2 LYS 30 1HE LYS 30 9.284 7.299 11.896 219 HE3 LYS 30 2HE LYS 30 8.000 7.492 13.089 220 HZ1 LYS 30 1HZ LYS 30 9.912 7.293 14.356 221 HZ2 LYS 30 2HZ LYS 30 10.582 6.093 13.371 222 HZ3 LYS 30 3HZ LYS 30 9.284 5.723 14.391 223 H VAL 31 H VAL 31 5.363 6.252 7.907 224 HA VAL 31 HA VAL 31 4.856 8.888 8.770 225 HB VAL 31 HB VAL 31 4.938 7.744 5.975 226 HG11 VAL 31 1HG1 VAL 31 4.235 9.705 5.211 227 HG12 VAL 31 2HG1 VAL 31 4.058 10.303 6.861 228 HG13 VAL 31 3HG1 VAL 31 5.592 10.497 6.012 229 HG21 VAL 31 1HG2 VAL 31 7.171 8.006 6.011 230 HG22 VAL 31 2HG2 VAL 31 7.084 9.503 6.940 231 HG23 VAL 31 3HG2 VAL 31 6.972 7.947 7.763 232 H LEU 32 H LEU 32 2.934 6.760 6.646 233 HA LEU 32 HA LEU 32 0.768 8.355 6.174 234 HB2 LEU 32 1HB LEU 32 0.859 5.394 6.704 235 HB3 LEU 32 2HB LEU 32 -0.577 6.230 6.117 236 HG LEU 32 HG LEU 32 2.048 6.219 4.640 237 HD11 LEU 32 1HD1 LEU 32 0.868 3.937 5.048 238 HD12 LEU 32 2HD1 LEU 32 1.414 4.366 3.427 239 HD13 LEU 32 3HD1 LEU 32 -0.288 4.533 3.857 240 HD21 LEU 32 1HD2 LEU 32 0.937 7.235 2.910 241 HD22 LEU 32 2HD2 LEU 32 0.114 7.957 4.293 242 HD23 LEU 32 3HD2 LEU 32 -0.638 6.624 3.416 243 H GLY 33 H GLY 33 1.127 6.134 8.944 244 HA2 GLY 33 1HA GLY 33 -1.248 6.656 10.247 245 HA3 GLY 33 2HA GLY 33 0.249 6.235 11.065 246 H ALA 34 H ALA 34 1.691 8.591 10.223 247 HA ALA 34 HA ALA 34 0.882 10.354 12.310 248 HB1 ALA 34 1HB ALA 34 2.701 11.834 11.116 249 HB2 ALA 34 2HB ALA 34 3.155 10.405 12.046 250 HB3 ALA 34 3HB ALA 34 3.064 10.320 10.286 251 H ASN 35 H ASN 35 0.497 10.320 8.823 252 HA ASN 35 HA ASN 35 -0.654 12.991 8.808 253 HB2 ASN 35 1HB ASN 35 -0.219 10.989 6.581 254 HB3 ASN 35 2HB ASN 35 -0.863 12.613 6.357 255 HD21 ASN 35 1HD2 ASN 35 1.896 10.723 6.465 256 HD22 ASN 35 2HD2 ASN 35 3.074 11.986 6.509 257 H ASN 36 H ASN 36 -1.989 10.873 10.295 258 HA ASN 36 HA ASN 36 -4.033 9.884 10.568 259 HB2 ASN 36 1HB ASN 36 -4.583 12.560 9.343 260 HB3 ASN 36 2HB ASN 36 -5.925 11.455 9.625 261 HD21 ASN 36 1HD2 ASN 36 -4.627 14.039 10.869 262 HD22 ASN 36 2HD2 ASN 36 -4.806 13.747 12.562 263 H CYS 37 H CYS 37 -2.561 9.190 8.104 264 HA CYS 37 HA CYS 37 -4.640 8.787 6.118 265 HB2 CYS 37 1HB CYS 37 -1.716 8.020 6.172 266 HB3 CYS 37 2HB CYS 37 -2.797 7.681 4.825 267 HG CYS 37 HG CYS 37 -2.530 10.894 5.864 268 H ASP 38 H ASP 38 -5.478 6.813 5.494 269 HA ASP 38 HA ASP 38 -5.164 4.665 7.470 270 HB2 ASP 38 1HB ASP 38 -7.382 5.450 5.605 271 HB3 ASP 38 2HB ASP 38 -7.296 3.808 6.236 272 H TYR 39 H TYR 39 -3.792 3.115 6.915 273 HA TYR 39 HA TYR 39 -3.508 2.423 4.070 274 HB2 TYR 39 1HB TYR 39 -1.357 1.303 4.898 275 HB3 TYR 39 2HB TYR 39 -1.392 3.062 4.885 276 HD1 TYR 39 HD1 TYR 39 -1.613 4.310 7.010 277 HD2 TYR 39 HD2 TYR 39 -1.167 0.080 6.944 278 HE1 TYR 39 HE1 TYR 39 -1.007 4.344 9.393 279 HE2 TYR 39 HE2 TYR 39 -0.561 0.101 9.328 280 HH TYR 39 HH TYR 39 -0.210 3.139 11.107 281 H GLU 40 H GLU 40 -3.533 0.262 3.417 282 HA GLU 40 HA GLU 40 -4.289 -1.747 5.404 283 HB2 GLU 40 1HB GLU 40 -5.958 -0.815 3.110 284 HB3 GLU 40 2HB GLU 40 -6.002 -2.518 3.543 285 HG2 GLU 40 1HG GLU 40 -6.549 -1.794 5.888 286 HG3 GLU 40 2HG GLU 40 -6.755 -0.164 5.249 287 H GLN 41 H GLN 41 -3.542 -3.767 4.974 288 HA GLN 41 HA GLN 41 -1.494 -4.054 3.031 289 HB2 GLN 41 1HB GLN 41 -1.873 -5.267 5.330 290 HB3 GLN 41 2HB GLN 41 -2.772 -6.417 4.349 291 HG2 GLN 41 1HG GLN 41 0.006 -5.621 3.589 292 HG3 GLN 41 2HG GLN 41 -0.275 -6.840 4.831 293 HE21 GLN 41 1HE2 GLN 41 1.066 -7.385 2.467 294 HE22 GLN 41 2HE2 GLN 41 0.116 -8.475 1.522 295 H ARG 42 H ARG 42 -2.139 -3.911 0.944 296 HA ARG 42 HA ARG 42 -4.476 -5.362 0.019 297 HB2 ARG 42 1HB ARG 42 -2.595 -3.370 -1.182 298 HB3 ARG 42 2HB ARG 42 -3.555 -4.387 -2.248 299 HG2 ARG 42 1HG ARG 42 -4.705 -2.647 -0.079 300 HG3 ARG 42 2HG ARG 42 -4.569 -2.177 -1.775 301 HD2 ARG 42 1HD ARG 42 -5.830 -4.467 -2.145 302 HD3 ARG 42 2HD ARG 42 -6.357 -4.177 -0.487 303 HE ARG 42 HE ARG 42 -6.802 -1.827 -1.872 304 HH11 ARG 42 1HH1 ARG 42 -7.875 -5.134 -2.029 305 HH12 ARG 42 2HH1 ARG 42 -9.428 -4.736 -2.687 306 HH21 ARG 42 1HH2 ARG 42 -8.842 -1.289 -2.738 307 HH22 ARG 42 2HH2 ARG 42 -9.976 -2.549 -3.091 308 H GLU 43 H GLU 43 -1.150 -5.155 -1.256 309 HA GLU 43 HA GLU 43 -1.317 -8.033 -1.864 310 HB2 GLU 43 1HB GLU 43 0.455 -6.059 -3.293 311 HB3 GLU 43 2HB GLU 43 0.029 -7.690 -3.790 312 HG2 GLU 43 1HG GLU 43 -2.307 -6.946 -4.094 313 HG3 GLU 43 2HG GLU 43 -1.801 -5.304 -3.701 314 H ARG 44 H ARG 44 1.118 -8.826 -2.295 315 HA ARG 44 HA ARG 44 2.322 -9.179 0.136 316 HB2 ARG 44 1HB ARG 44 2.795 -10.206 -2.255 317 HB3 ARG 44 2HB ARG 44 4.085 -9.011 -2.267 318 HG2 ARG 44 1HG ARG 44 3.784 -10.845 0.068 319 HG3 ARG 44 2HG ARG 44 4.552 -11.415 -1.416 320 HD2 ARG 44 1HD ARG 44 6.110 -9.488 -1.286 321 HD3 ARG 44 2HD ARG 44 5.389 -9.055 0.264 322 HE ARG 44 HE ARG 44 6.509 -10.810 1.254 323 HH11 ARG 44 1HH1 ARG 44 6.800 -11.008 -2.209 324 HH12 ARG 44 2HH1 ARG 44 8.021 -12.237 -2.167 325 HH21 ARG 44 1HH2 ARG 44 8.116 -12.427 1.323 326 HH22 ARG 44 2HH2 ARG 44 8.768 -13.044 -0.158 327 H PHE 45 H PHE 45 3.132 -6.715 -2.292 328 HA PHE 45 HA PHE 45 4.447 -5.175 -0.157 329 HB2 PHE 45 1HB PHE 45 5.459 -5.823 -2.906 330 HB3 PHE 45 2HB PHE 45 5.948 -4.325 -2.120 331 HD1 PHE 45 HD2 PHE 45 7.012 -4.507 0.199 332 HD2 PHE 45 HD1 PHE 45 6.562 -7.811 -2.447 333 HE1 PHE 45 HE2 PHE 45 8.765 -5.723 1.424 334 HE2 PHE 45 HE1 PHE 45 8.314 -9.032 -1.225 335 HZ PHE 45 HZ PHE 45 9.419 -7.988 0.713 336 H LEU 46 H LEU 46 1.753 -4.957 -1.084 337 HA LEU 46 HA LEU 46 1.836 -2.197 -2.072 338 HB2 LEU 46 1HB LEU 46 1.294 -3.876 -3.897 339 HB3 LEU 46 2HB LEU 46 -0.208 -4.185 -3.027 340 HG LEU 46 HG LEU 46 -0.583 -1.628 -3.273 341 HD11 LEU 46 1HD1 LEU 46 1.531 -2.162 -5.345 342 HD12 LEU 46 2HD1 LEU 46 1.533 -0.935 -4.079 343 HD13 LEU 46 3HD1 LEU 46 0.411 -0.803 -5.432 344 HD21 LEU 46 1HD2 LEU 46 -1.655 -1.987 -5.446 345 HD22 LEU 46 2HD2 LEU 46 -1.954 -3.331 -4.343 346 HD23 LEU 46 3HD2 LEU 46 -0.764 -3.497 -5.635 347 H LEU 47 H LEU 47 0.599 -0.845 -0.929 348 HA LEU 47 HA LEU 47 -1.413 -2.014 0.879 349 HB2 LEU 47 1HB LEU 47 0.293 0.437 1.285 350 HB3 LEU 47 2HB LEU 47 -0.970 -0.114 2.383 351 HG LEU 47 HG LEU 47 1.376 -1.863 1.726 352 HD11 LEU 47 1HD1 LEU 47 1.289 0.082 4.020 353 HD12 LEU 47 2HD1 LEU 47 2.155 0.391 2.515 354 HD13 LEU 47 3HD1 LEU 47 2.621 -0.969 3.536 355 HD21 LEU 47 1HD2 LEU 47 -0.953 -2.128 3.287 356 HD22 LEU 47 2HD2 LEU 47 0.398 -1.980 4.411 357 HD23 LEU 47 3HD2 LEU 47 0.412 -3.239 3.175 358 H PHE 48 H PHE 48 -3.153 -0.456 1.514 359 HA PHE 48 HA PHE 48 -3.909 1.202 -0.801 360 HB2 PHE 48 1HB PHE 48 -5.345 -0.784 -0.478 361 HB3 PHE 48 2HB PHE 48 -5.731 -0.227 1.147 362 HD1 PHE 48 HD2 PHE 48 -6.047 0.620 -2.441 363 HD2 PHE 48 HD1 PHE 48 -7.443 1.329 1.517 364 HE1 PHE 48 HE2 PHE 48 -7.924 1.929 -3.342 365 HE2 PHE 48 HE1 PHE 48 -9.324 2.639 0.622 366 HZ PHE 48 HZ PHE 48 -9.566 2.941 -1.810 367 H CYS 49 H CYS 49 -3.271 3.206 -0.186 368 HA CYS 49 HA CYS 49 -3.724 4.172 2.497 369 HB2 CYS 49 1HB CYS 49 -2.772 5.699 0.066 370 HB3 CYS 49 2HB CYS 49 -2.644 6.211 1.745 371 HG CYS 49 HG CYS 49 -1.180 3.268 1.082 372 H VAL 50 H VAL 50 -5.092 5.874 3.091 373 HA VAL 50 HA VAL 50 -7.045 6.808 1.128 374 HB VAL 50 HB VAL 50 -7.737 5.276 3.624 375 HG11 VAL 50 1HG1 VAL 50 -9.238 7.460 2.292 376 HG12 VAL 50 2HG1 VAL 50 -10.151 6.045 2.820 377 HG13 VAL 50 3HG1 VAL 50 -9.209 6.974 3.987 378 HG21 VAL 50 1HG2 VAL 50 -7.746 3.780 1.881 379 HG22 VAL 50 2HG2 VAL 50 -9.417 4.343 1.837 380 HG23 VAL 50 3HG2 VAL 50 -8.237 4.992 0.698 381 H HIS 51 H HIS 51 -7.487 8.904 1.381 382 HA HIS 51 HA HIS 51 -7.383 10.149 3.998 383 HB2 HIS 51 1HB HIS 51 -5.037 10.163 2.795 384 HB3 HIS 51 2HB HIS 51 -5.752 11.483 1.874 385 HD1 HIS 51 HD1 HIS 51 -5.505 13.727 2.887 386 HD2 HIS 51 HD2 HIS 51 -5.175 10.705 5.719 387 HE1 HIS 51 HE1 HIS 51 -4.922 14.885 5.042 388 HE2 HIS 51 HE2 HIS 51 -4.643 13.029 6.721 389 H GLY 52 H GLY 52 -8.669 11.943 4.157 390 HA2 GLY 52 1HA GLY 52 -10.084 12.721 1.681 391 HA3 GLY 52 2HA GLY 52 -10.843 12.665 3.265 392 H ASP 53 H ASP 53 -7.903 14.135 1.877 393 HA ASP 53 HA ASP 53 -7.554 16.249 3.524 394 HB2 ASP 53 1HB ASP 53 -7.260 16.100 0.529 395 HB3 ASP 53 2HB ASP 53 -6.792 17.534 1.438 396 H GLY 54 H GLY 54 -9.960 16.012 0.950 397 HA2 GLY 54 1HA GLY 54 -10.993 18.664 1.663 398 HA3 GLY 54 2HA GLY 54 -11.425 17.742 0.231 399 H HIS 55 H HIS 55 -13.453 17.070 0.261 400 HA HIS 55 HA HIS 55 -14.724 16.532 2.856 401 HB2 HIS 55 1HB HIS 55 -16.067 17.023 0.192 402 HB3 HIS 55 2HB HIS 55 -16.849 16.929 1.767 403 HD1 HIS 55 HD1 HIS 55 -17.663 19.223 2.223 404 HD2 HIS 55 HD2 HIS 55 -13.790 19.220 0.720 405 HE1 HIS 55 HE1 HIS 55 -16.908 21.621 2.304 406 HE2 HIS 55 HE2 HIS 55 -14.594 21.606 1.311 407 H ALA 56 H ALA 56 -16.485 14.818 2.745 408 HA ALA 56 HA ALA 56 -15.388 12.331 2.249 409 HB1 ALA 56 1HB ALA 56 -17.245 12.515 3.721 410 HB2 ALA 56 2HB ALA 56 -18.274 13.165 2.444 411 HB3 ALA 56 3HB ALA 56 -17.746 11.483 2.381 412 H GLU 57 H GLU 57 -17.718 14.116 0.229 413 HA GLU 57 HA GLU 57 -17.795 12.186 -1.839 414 HB2 GLU 57 1HB GLU 57 -19.134 13.689 -3.012 415 HB3 GLU 57 2HB GLU 57 -19.440 14.114 -1.333 416 HG2 GLU 57 1HG GLU 57 -17.716 15.916 -1.573 417 HG3 GLU 57 2HG GLU 57 -17.689 15.561 -3.300 418 H ASN 58 H ASN 58 -15.299 14.105 -0.867 419 HA ASN 58 HA ASN 58 -14.065 14.007 -3.537 420 HB2 ASN 58 1HB ASN 58 -13.840 16.222 -1.491 421 HB3 ASN 58 2HB ASN 58 -12.820 16.093 -2.920 422 HD21 ASN 58 1HD2 ASN 58 -15.959 16.848 -1.698 423 HD22 ASN 58 2HD2 ASN 58 -16.607 17.494 -3.164 424 H LEU 59 H LEU 59 -13.818 11.942 -1.739 425 HA LEU 59 HA LEU 59 -11.388 12.262 -0.211 426 HB2 LEU 59 1HB LEU 59 -13.397 10.782 0.369 427 HB3 LEU 59 2HB LEU 59 -12.755 9.662 -0.831 428 HG LEU 59 HG LEU 59 -10.565 9.944 0.659 429 HD11 LEU 59 1HD1 LEU 59 -12.568 9.983 2.846 430 HD12 LEU 59 2HD1 LEU 59 -12.107 11.524 2.124 431 HD13 LEU 59 3HD1 LEU 59 -10.877 10.485 2.845 432 HD21 LEU 59 1HD2 LEU 59 -12.283 7.953 0.139 433 HD22 LEU 59 2HD2 LEU 59 -12.568 8.142 1.870 434 HD23 LEU 59 3HD2 LEU 59 -10.942 7.802 1.275 435 H VAL 60 H VAL 60 -9.467 11.018 -0.547 436 HA VAL 60 HA VAL 60 -9.054 10.244 -3.363 437 HB VAL 60 HB VAL 60 -7.151 11.613 -1.466 438 HG11 VAL 60 1HG1 VAL 60 -6.005 9.793 -2.672 439 HG12 VAL 60 2HG1 VAL 60 -6.532 10.500 -4.201 440 HG13 VAL 60 3HG1 VAL 60 -5.428 11.389 -3.151 441 HG21 VAL 60 1HG2 VAL 60 -7.669 13.478 -2.559 442 HG22 VAL 60 2HG2 VAL 60 -7.351 12.713 -4.117 443 HG23 VAL 60 3HG2 VAL 60 -8.948 12.584 -3.380 444 H GLN 61 H GLN 61 -8.264 8.265 -3.750 445 HA GLN 61 HA GLN 61 -7.150 6.745 -1.489 446 HB2 GLN 61 1HB GLN 61 -8.976 5.651 -3.635 447 HB3 GLN 61 2HB GLN 61 -8.277 4.739 -2.304 448 HG2 GLN 61 1HG GLN 61 -9.538 6.086 -0.710 449 HG3 GLN 61 2HG GLN 61 -10.233 7.011 -2.041 450 HE21 GLN 61 1HE2 GLN 61 -10.898 4.673 0.087 451 HE22 GLN 61 2HE2 GLN 61 -12.069 3.763 -0.799 452 H TRP 62 H TRP 62 -5.249 5.794 -1.862 453 HA TRP 62 HA TRP 62 -4.456 5.113 -4.580 454 HB2 TRP 62 1HB TRP 62 -2.435 6.373 -4.571 455 HB3 TRP 62 2HB TRP 62 -3.717 7.489 -4.111 456 HD1 TRP 62 HD1 TRP 62 -0.466 6.052 -2.902 457 HE1 TRP 62 HE1 TRP 62 0.110 7.035 -0.594 458 HE3 TRP 62 HE3 TRP 62 -4.923 8.327 -1.852 459 HZ2 TRP 62 HZ2 TRP 62 -1.156 8.572 1.407 460 HZ3 TRP 62 HZ3 TRP 62 -5.158 9.532 0.280 461 HH2 TRP 62 HH2 TRP 62 -3.313 9.650 1.875 462 H GLU 63 H GLU 63 -2.092 4.157 -4.445 463 HA GLU 63 HA GLU 63 -1.882 2.526 -2.005 464 HB2 GLU 63 1HB GLU 63 -1.424 1.504 -4.812 465 HB3 GLU 63 2HB GLU 63 -1.345 0.569 -3.325 466 HG2 GLU 63 1HG GLU 63 -3.723 0.900 -2.966 467 HG3 GLU 63 2HG GLU 63 -3.818 1.886 -4.424 468 H MET 64 H MET 64 0.329 1.285 -2.089 469 HA MET 64 HA MET 64 2.454 2.866 -3.290 470 HB2 MET 64 1HB MET 64 2.214 2.473 -0.303 471 HB3 MET 64 2HB MET 64 3.639 3.103 -1.118 472 HG2 MET 64 1HG MET 64 2.502 5.062 -1.793 473 HG3 MET 64 2HG MET 64 0.938 4.394 -1.331 474 HE1 MET 64 1HE MET 64 4.541 5.098 0.586 475 HE2 MET 64 2HE MET 64 3.933 6.319 -0.532 476 HE3 MET 64 3HE MET 64 3.923 6.630 1.205 477 H GLU 65 H GLU 65 4.087 1.608 -3.942 478 HA GLU 65 HA GLU 65 4.453 -1.012 -2.666 479 HB2 GLU 65 1HB GLU 65 3.315 -1.730 -4.547 480 HB3 GLU 65 2HB GLU 65 3.938 -0.428 -5.550 481 HG2 GLU 65 1HG GLU 65 5.900 -1.521 -5.999 482 HG3 GLU 65 2HG GLU 65 5.828 -2.483 -4.524 483 H VAL 66 H VAL 66 6.555 -1.830 -2.704 484 HA VAL 66 HA VAL 66 8.612 0.168 -3.364 485 HB VAL 66 HB VAL 66 8.955 -2.220 -1.555 486 HG11 VAL 66 1HG1 VAL 66 11.091 -1.589 -1.848 487 HG12 VAL 66 2HG1 VAL 66 10.644 0.008 -2.452 488 HG13 VAL 66 3HG1 VAL 66 10.682 -0.302 -0.715 489 HG21 VAL 66 1HG2 VAL 66 7.240 -0.164 -1.025 490 HG22 VAL 66 2HG2 VAL 66 8.058 -1.140 0.195 491 HG23 VAL 66 3HG2 VAL 66 8.738 0.412 -0.293 492 H CYS 67 H CYS 67 9.580 -0.196 -5.245 493 HA CYS 67 HA CYS 67 10.442 -2.930 -5.870 494 HB2 CYS 67 1HB CYS 67 8.323 -2.164 -7.141 495 HB3 CYS 67 2HB CYS 67 9.414 -1.110 -8.033 496 HG CYS 67 HG CYS 67 10.823 -3.054 -9.275 497 H LYS 68 H LYS 68 12.076 -2.909 -7.710 498 HA LYS 68 HA LYS 68 13.974 -0.737 -7.193 499 HB2 LYS 68 1HB LYS 68 14.484 -3.297 -6.979 500 HB3 LYS 68 2HB LYS 68 14.653 -3.220 -8.728 501 HG2 LYS 68 1HG LYS 68 16.140 -1.300 -6.986 502 HG3 LYS 68 2HG LYS 68 16.742 -2.941 -7.233 503 HD2 LYS 68 1HD LYS 68 15.943 -1.370 -9.627 504 HD3 LYS 68 2HD LYS 68 17.450 -0.938 -8.817 505 HE2 LYS 68 1HE LYS 68 16.790 -3.756 -9.638 506 HE3 LYS 68 2HE LYS 68 17.619 -2.623 -10.704 507 HZ1 LYS 68 1HZ LYS 68 19.112 -2.385 -8.538 508 HZ2 LYS 68 2HZ LYS 68 19.418 -3.543 -9.731 509 HZ3 LYS 68 3HZ LYS 68 18.593 -3.981 -8.320 510 H LEU 69 H LEU 69 13.988 0.874 -8.606 511 HA LEU 69 HA LEU 69 12.847 0.668 -11.210 512 HB2 LEU 69 1HB LEU 69 14.167 2.976 -11.369 513 HB3 LEU 69 2HB LEU 69 12.632 2.806 -10.520 514 HG LEU 69 HG LEU 69 15.138 2.432 -8.962 515 HD11 LEU 69 1HD1 LEU 69 15.083 4.590 -10.551 516 HD12 LEU 69 2HD1 LEU 69 15.788 4.594 -8.935 517 HD13 LEU 69 3HD1 LEU 69 14.153 5.205 -9.185 518 HD21 LEU 69 1HD2 LEU 69 12.313 2.984 -8.510 519 HD22 LEU 69 2HD2 LEU 69 13.383 4.037 -7.585 520 HD23 LEU 69 3HD2 LEU 69 13.520 2.285 -7.430 521 HA PRO 70 HA PRO 70 16.330 -0.780 -13.485 522 HB2 PRO 70 1HB PRO 70 15.607 0.097 -15.951 523 HB3 PRO 70 2HB PRO 70 14.835 -1.281 -15.156 524 HG2 PRO 70 1HG PRO 70 13.904 1.557 -15.353 525 HG3 PRO 70 2HG PRO 70 12.974 0.059 -15.542 526 HD2 PRO 70 1HD PRO 70 12.942 1.515 -13.260 527 HD3 PRO 70 2HD PRO 70 12.774 -0.252 -13.267 528 H ARG 71 H ARG 71 15.256 2.534 -14.248 529 HA ARG 71 HA ARG 71 17.434 3.565 -15.492 530 HB2 ARG 71 1HB ARG 71 15.342 4.807 -14.938 531 HB3 ARG 71 2HB ARG 71 15.930 4.987 -13.290 532 HG2 ARG 71 1HG ARG 71 16.377 7.014 -14.442 533 HG3 ARG 71 2HG ARG 71 17.917 6.184 -14.213 534 HD2 ARG 71 1HD ARG 71 18.134 5.683 -16.444 535 HD3 ARG 71 2HD ARG 71 16.394 5.711 -16.728 536 HE ARG 71 HE ARG 71 18.214 7.929 -16.891 537 HH11 ARG 71 1HH1 ARG 71 14.905 6.972 -16.387 538 HH12 ARG 71 2HH1 ARG 71 14.250 8.492 -16.897 539 HH21 ARG 71 1HH2 ARG 71 17.364 9.935 -17.566 540 HH22 ARG 71 2HH2 ARG 71 15.650 10.177 -17.569 541 H LEU 72 H LEU 72 17.019 3.990 -11.975 542 HA LEU 72 HA LEU 72 19.950 3.853 -11.716 543 HB2 LEU 72 1HB LEU 72 18.227 5.112 -9.636 544 HB3 LEU 72 2HB LEU 72 19.903 5.452 -10.063 545 HG LEU 72 HG LEU 72 18.710 6.302 -12.304 546 HD11 LEU 72 1HD1 LEU 72 16.685 6.799 -10.127 547 HD12 LEU 72 2HD1 LEU 72 16.464 5.746 -11.524 548 HD13 LEU 72 3HD1 LEU 72 16.653 7.485 -11.752 549 HD21 LEU 72 1HD2 LEU 72 19.114 8.475 -11.550 550 HD22 LEU 72 2HD2 LEU 72 20.224 7.481 -10.606 551 HD23 LEU 72 3HD2 LEU 72 18.727 8.067 -9.879 552 H SER 73 H SER 73 20.722 3.061 -9.577 553 HA SER 73 HA SER 73 19.241 0.653 -8.864 554 HB2 SER 73 1HB SER 73 21.621 0.407 -9.373 555 HB3 SER 73 2HB SER 73 22.029 1.563 -8.105 556 HG SER 73 HG SER 73 21.909 -0.965 -7.790 557 H LEU 74 H LEU 74 17.756 2.567 -7.925 558 HA LEU 74 HA LEU 74 18.352 2.648 -5.045 559 HB2 LEU 74 1HB LEU 74 17.127 4.840 -6.712 560 HB3 LEU 74 2HB LEU 74 17.235 4.853 -4.953 561 HG LEU 74 HG LEU 74 19.742 4.582 -6.545 562 HD11 LEU 74 1HD1 LEU 74 18.130 6.531 -7.331 563 HD12 LEU 74 2HD1 LEU 74 19.871 6.763 -7.179 564 HD13 LEU 74 3HD1 LEU 74 18.793 7.318 -5.899 565 HD21 LEU 74 1HD2 LEU 74 19.427 6.322 -4.167 566 HD22 LEU 74 2HD2 LEU 74 20.765 5.274 -4.638 567 HD23 LEU 74 3HD2 LEU 74 19.311 4.580 -3.919 568 H ASN 75 H ASN 75 16.620 2.372 -3.656 569 HA ASN 75 HA ASN 75 14.305 1.079 -4.831 570 HB2 ASN 75 1HB ASN 75 15.119 1.480 -1.944 571 HB3 ASN 75 2HB ASN 75 13.719 0.551 -2.472 572 HD21 ASN 75 1HD2 ASN 75 15.286 -0.846 -0.995 573 HD22 ASN 75 2HD2 ASN 75 16.304 -1.915 -1.894 574 H GLY 76 H GLY 76 12.781 2.419 -5.589 575 HA2 GLY 76 1HA GLY 76 12.080 4.792 -3.991 576 HA3 GLY 76 2HA GLY 76 11.733 4.581 -5.701 577 H VAL 77 H VAL 77 9.623 5.400 -4.575 578 HA VAL 77 HA VAL 77 8.031 3.040 -3.804 579 HB VAL 77 HB VAL 77 7.404 5.920 -3.148 580 HG11 VAL 77 1HG1 VAL 77 6.074 4.358 -1.357 581 HG12 VAL 77 2HG1 VAL 77 5.373 5.014 -2.838 582 HG13 VAL 77 3HG1 VAL 77 6.004 3.367 -2.813 583 HG21 VAL 77 1HG2 VAL 77 8.243 3.978 -1.062 584 HG22 VAL 77 2HG2 VAL 77 9.494 4.695 -2.077 585 HG23 VAL 77 3HG2 VAL 77 8.435 5.730 -1.119 586 H ARG 78 H ARG 78 6.407 2.458 -5.096 587 HA ARG 78 HA ARG 78 5.764 4.182 -7.372 588 HB2 ARG 78 1HB ARG 78 5.002 1.294 -6.902 589 HB3 ARG 78 2HB ARG 78 4.812 2.199 -8.398 590 HG2 ARG 78 1HG ARG 78 7.423 2.502 -8.128 591 HG3 ARG 78 2HG ARG 78 7.248 1.019 -7.187 592 HD2 ARG 78 1HD ARG 78 5.953 1.212 -9.868 593 HD3 ARG 78 2HD ARG 78 7.690 0.925 -9.769 594 HE ARG 78 HE ARG 78 6.407 -0.880 -8.065 595 HH11 ARG 78 1HH1 ARG 78 6.684 -0.193 -11.467 596 HH12 ARG 78 2HH1 ARG 78 6.431 -1.837 -11.952 597 HH21 ARG 78 1HH2 ARG 78 6.073 -3.048 -8.691 598 HH22 ARG 78 2HH2 ARG 78 6.082 -3.460 -10.373 599 H PHE 79 H PHE 79 4.019 5.416 -7.274 600 HA PHE 79 HA PHE 79 1.903 4.770 -5.365 601 HB2 PHE 79 1HB PHE 79 2.610 7.265 -6.900 602 HB3 PHE 79 2HB PHE 79 1.081 7.103 -6.042 603 HD1 PHE 79 HD2 PHE 79 4.656 6.325 -5.285 604 HD2 PHE 79 HD1 PHE 79 1.048 8.213 -4.046 605 HE1 PHE 79 HE2 PHE 79 5.752 7.047 -3.204 606 HE2 PHE 79 HE1 PHE 79 2.139 8.939 -1.963 607 HZ PHE 79 HZ PHE 79 4.494 8.355 -1.540 608 H LYS 80 H LYS 80 -0.253 4.550 -5.939 609 HA LYS 80 HA LYS 80 -0.818 4.321 -8.819 610 HB2 LYS 80 1HB LYS 80 -0.554 2.075 -7.955 611 HB3 LYS 80 2HB LYS 80 -1.653 2.417 -6.625 612 HG2 LYS 80 1HG LYS 80 -2.984 1.228 -8.082 613 HG3 LYS 80 2HG LYS 80 -3.378 2.900 -8.491 614 HD2 LYS 80 1HD LYS 80 -3.057 1.961 -10.578 615 HD3 LYS 80 2HD LYS 80 -1.463 2.639 -10.236 616 HE2 LYS 80 1HE LYS 80 -0.566 0.531 -9.704 617 HE3 LYS 80 2HE LYS 80 -2.162 -0.203 -9.557 618 HZ1 LYS 80 1HZ LYS 80 -1.652 -0.930 -11.616 619 HZ2 LYS 80 2HZ LYS 80 -0.581 0.338 -11.939 620 HZ3 LYS 80 3HZ LYS 80 -2.248 0.584 -12.080 621 H ARG 81 H ARG 81 -2.577 5.382 -9.482 622 HA ARG 81 HA ARG 81 -4.222 6.718 -7.488 623 HB2 ARG 81 1HB ARG 81 -3.273 7.945 -9.454 624 HB3 ARG 81 2HB ARG 81 -4.311 6.982 -10.496 625 HG2 ARG 81 1HG ARG 81 -6.219 7.890 -8.978 626 HG3 ARG 81 2HG ARG 81 -5.039 9.136 -8.567 627 HD2 ARG 81 1HD ARG 81 -6.124 8.452 -11.292 628 HD3 ARG 81 2HD ARG 81 -6.358 9.946 -10.386 629 HE ARG 81 HE ARG 81 -3.625 9.633 -10.748 630 HH11 ARG 81 1HH1 ARG 81 -6.464 10.080 -12.712 631 HH12 ARG 81 2HH1 ARG 81 -5.618 10.908 -13.977 632 HH21 ARG 81 1HH2 ARG 81 -2.500 10.721 -12.407 633 HH22 ARG 81 2HH2 ARG 81 -3.363 11.271 -13.804 634 H ILE 82 H ILE 82 -5.855 5.547 -6.704 635 HA ILE 82 HA ILE 82 -7.236 3.617 -8.383 636 HB ILE 82 HB ILE 82 -7.685 4.316 -5.479 637 HG12 ILE 82 1HG1 ILE 82 -5.489 3.363 -5.756 638 HG13 ILE 82 2HG1 ILE 82 -6.541 2.127 -5.075 639 HG21 ILE 82 1HG2 ILE 82 -9.078 2.562 -7.364 640 HG22 ILE 82 2HG2 ILE 82 -8.633 1.789 -5.844 641 HG23 ILE 82 3HG2 ILE 82 -9.624 3.247 -5.834 642 HD11 ILE 82 1HD1 ILE 82 -6.813 1.617 -7.711 643 HD12 ILE 82 2HD1 ILE 82 -5.156 2.220 -7.656 644 HD13 ILE 82 3HD1 ILE 82 -5.626 0.842 -6.661 645 H SER 83 H SER 83 -8.201 6.343 -6.290 646 HA SER 83 HA SER 83 -10.395 6.891 -8.171 647 HB2 SER 83 1HB SER 83 -11.066 5.720 -5.956 648 HB3 SER 83 2HB SER 83 -10.740 7.283 -5.208 649 HG SER 83 HG SER 83 -12.364 7.209 -7.483 650 H GLY 84 H GLY 84 -11.437 9.138 -7.364 651 HA2 GLY 84 1HA GLY 84 -11.145 11.402 -7.035 652 HA3 GLY 84 2HA GLY 84 -9.570 11.049 -6.339 653 H THR 85 H THR 85 -10.589 13.072 -8.354 654 HA THR 85 HA THR 85 -9.588 12.530 -10.901 655 HB THR 85 HB THR 85 -11.005 14.527 -10.155 656 HG1 THR 85 HG1 THR 85 -10.539 15.213 -12.099 657 HG21 THR 85 1HG2 THR 85 -8.933 15.114 -8.530 658 HG22 THR 85 2HG2 THR 85 -10.082 16.317 -9.116 659 HG23 THR 85 3HG2 THR 85 -8.527 16.115 -9.923 660 H SER 86 H SER 86 -7.737 14.165 -11.747 661 HA SER 86 HA SER 86 -5.312 13.069 -10.773 662 HB2 SER 86 1HB SER 86 -5.914 15.295 -12.720 663 HB3 SER 86 2HB SER 86 -4.267 14.799 -12.330 664 HG SER 86 HG SER 86 -5.390 13.779 -14.215 665 H ILE 87 H ILE 87 -6.686 16.345 -10.593 666 HA ILE 87 HA ILE 87 -4.643 17.590 -9.196 667 HB ILE 87 HB ILE 87 -7.616 18.082 -9.023 668 HG12 ILE 87 1HG1 ILE 87 -5.640 19.825 -10.447 669 HG13 ILE 87 2HG1 ILE 87 -6.197 18.346 -11.222 670 HG21 ILE 87 1HG2 ILE 87 -7.146 20.188 -8.004 671 HG22 ILE 87 2HG2 ILE 87 -6.329 18.943 -7.060 672 HG23 ILE 87 3HG2 ILE 87 -5.408 19.947 -8.178 673 HD11 ILE 87 1HD1 ILE 87 -8.414 19.100 -11.302 674 HD12 ILE 87 2HD1 ILE 87 -8.097 20.406 -10.160 675 HD13 ILE 87 3HD1 ILE 87 -7.429 20.478 -11.791 676 H ALA 88 H ALA 88 -7.643 16.298 -7.753 677 HA ALA 88 HA ALA 88 -6.910 16.556 -5.093 678 HB1 ALA 88 1HB ALA 88 -8.602 14.827 -4.625 679 HB2 ALA 88 2HB ALA 88 -9.182 16.053 -5.754 680 HB3 ALA 88 3HB ALA 88 -8.687 14.468 -6.349 681 H PHE 89 H PHE 89 -6.088 14.061 -7.411 682 HA PHE 89 HA PHE 89 -5.121 12.132 -5.599 683 HB2 PHE 89 1HB PHE 89 -5.595 11.516 -7.885 684 HB3 PHE 89 2HB PHE 89 -4.406 12.667 -8.487 685 HD1 PHE 89 HD1 PHE 89 -4.367 9.985 -5.889 686 HD2 PHE 89 HD2 PHE 89 -2.589 11.617 -9.395 687 HE1 PHE 89 HE1 PHE 89 -2.644 8.229 -5.828 688 HE2 PHE 89 HE2 PHE 89 -0.864 9.863 -9.340 689 HZ PHE 89 HZ PHE 89 -0.890 8.166 -7.556 690 H LYS 90 H LYS 90 -3.372 14.567 -7.524 691 HA LYS 90 HA LYS 90 -0.836 14.038 -6.419 692 HB2 LYS 90 1HB LYS 90 -1.317 15.304 -8.546 693 HB3 LYS 90 2HB LYS 90 -1.781 16.676 -7.548 694 HG2 LYS 90 1HG LYS 90 0.889 15.440 -7.113 695 HG3 LYS 90 2HG LYS 90 0.642 16.460 -8.533 696 HD2 LYS 90 1HD LYS 90 -0.036 17.319 -5.725 697 HD3 LYS 90 2HD LYS 90 1.516 17.649 -6.498 698 HE2 LYS 90 1HE LYS 90 0.005 18.625 -8.404 699 HE3 LYS 90 2HE LYS 90 -1.192 18.744 -7.115 700 HZ1 LYS 90 1HZ LYS 90 0.957 19.807 -5.937 701 HZ2 LYS 90 2HZ LYS 90 -0.210 20.714 -6.760 702 HZ3 LYS 90 3HZ LYS 90 1.227 20.278 -7.539 703 H ASN 91 H ASN 91 -3.391 16.302 -5.514 704 HA ASN 91 HA ASN 91 -2.275 17.984 -3.753 705 HB2 ASN 91 1HB ASN 91 -4.857 16.485 -3.677 706 HB3 ASN 91 2HB ASN 91 -4.395 17.423 -2.259 707 HD21 ASN 91 1HD2 ASN 91 -6.629 18.165 -3.443 708 HD22 ASN 91 2HD2 ASN 91 -6.422 19.621 -4.350 709 H ILE 92 H ILE 92 -3.394 14.747 -2.742 710 HA ILE 92 HA ILE 92 -1.991 14.904 -0.249 711 HB ILE 92 HB ILE 92 -4.075 13.610 -0.484 712 HG12 ILE 92 1HG1 ILE 92 -3.229 11.512 0.650 713 HG13 ILE 92 2HG1 ILE 92 -1.596 12.084 0.327 714 HG21 ILE 92 1HG2 ILE 92 -4.056 11.444 -1.616 715 HG22 ILE 92 2HG2 ILE 92 -3.718 12.759 -2.741 716 HG23 ILE 92 3HG2 ILE 92 -2.404 11.738 -2.156 717 HD11 ILE 92 1HD1 ILE 92 -3.675 13.442 2.023 718 HD12 ILE 92 2HD1 ILE 92 -2.212 12.628 2.580 719 HD13 ILE 92 3HD1 ILE 92 -2.091 14.113 1.637 720 H ALA 93 H ALA 93 -1.372 13.505 -3.399 721 HA ALA 93 HA ALA 93 0.637 11.707 -2.885 722 HB1 ALA 93 1HB ALA 93 -0.402 12.336 -5.120 723 HB2 ALA 93 2HB ALA 93 0.792 13.633 -5.185 724 HB3 ALA 93 3HB ALA 93 1.319 11.951 -5.121 725 H SER 94 H SER 94 0.877 15.228 -3.083 726 HA SER 94 HA SER 94 3.714 15.309 -2.814 727 HB2 SER 94 1HB SER 94 2.006 17.125 -3.685 728 HB3 SER 94 2HB SER 94 1.994 17.616 -1.991 729 HG SER 94 HG SER 94 4.315 17.342 -3.604 730 H LYS 95 H LYS 95 1.054 15.138 -0.594 731 HA LYS 95 HA LYS 95 2.418 16.065 1.718 732 HB2 LYS 95 1HB LYS 95 0.018 14.241 1.480 733 HB3 LYS 95 2HB LYS 95 0.563 15.011 2.964 734 HG2 LYS 95 1HG LYS 95 -0.250 16.546 0.510 735 HG3 LYS 95 2HG LYS 95 -1.364 16.122 1.812 736 HD2 LYS 95 1HD LYS 95 1.203 17.596 2.331 737 HD3 LYS 95 2HD LYS 95 -0.285 18.438 1.892 738 HE2 LYS 95 1HE LYS 95 -0.190 16.480 4.165 739 HE3 LYS 95 2HE LYS 95 0.258 18.171 4.384 740 HZ1 LYS 95 1HZ LYS 95 -2.044 18.529 3.203 741 HZ2 LYS 95 2HZ LYS 95 -1.945 18.274 4.872 742 HZ3 LYS 95 3HZ LYS 95 -2.368 16.997 3.846 743 H ILE 96 H ILE 96 2.231 12.997 0.084 744 HA ILE 96 HA ILE 96 3.447 11.562 2.299 745 HB ILE 96 HB ILE 96 2.920 10.514 -0.479 746 HG12 ILE 96 1HG1 ILE 96 0.804 11.296 0.307 747 HG13 ILE 96 2HG1 ILE 96 0.826 9.554 0.563 748 HG21 ILE 96 1HG2 ILE 96 2.745 8.758 1.868 749 HG22 ILE 96 2HG2 ILE 96 3.490 8.482 0.294 750 HG23 ILE 96 3HG2 ILE 96 4.353 9.398 1.530 751 HD11 ILE 96 1HD1 ILE 96 1.801 10.536 2.931 752 HD12 ILE 96 2HD1 ILE 96 0.574 11.719 2.477 753 HD13 ILE 96 3HD1 ILE 96 0.145 10.015 2.624 754 H ALA 97 H ALA 97 4.268 12.049 -1.142 755 HA ALA 97 HA ALA 97 6.784 11.058 -1.242 756 HB1 ALA 97 1HB ALA 97 7.280 12.952 -2.885 757 HB2 ALA 97 2HB ALA 97 5.906 11.903 -3.240 758 HB3 ALA 97 3HB ALA 97 5.638 13.503 -2.550 759 H ASN 98 H ASN 98 5.851 14.206 0.074 760 HA ASN 98 HA ASN 98 8.553 14.983 0.653 761 HB2 ASN 98 1HB ASN 98 6.861 16.683 0.202 762 HB3 ASN 98 2HB ASN 98 5.915 16.138 1.584 763 HD21 ASN 98 1HD2 ASN 98 6.078 17.443 3.242 764 HD22 ASN 98 2HD2 ASN 98 7.484 18.328 3.715 765 H GLU 99 H GLU 99 5.774 14.452 2.830 766 HA GLU 99 HA GLU 99 6.958 14.399 5.241 767 HB2 GLU 99 1HB GLU 99 4.832 12.559 4.159 768 HB3 GLU 99 2HB GLU 99 5.334 12.510 5.844 769 HG2 GLU 99 1HG GLU 99 4.354 15.013 4.505 770 HG3 GLU 99 2HG GLU 99 3.285 13.878 5.328 771 H LEU 100 H LEU 100 6.901 11.639 3.002 772 HA LEU 100 HA LEU 100 8.040 9.634 4.352 773 HB2 LEU 100 1HB LEU 100 8.671 10.635 1.596 774 HB3 LEU 100 2HB LEU 100 9.426 9.178 2.238 775 HG LEU 100 HG LEU 100 6.445 9.547 1.981 776 HD11 LEU 100 1HD1 LEU 100 7.327 7.639 0.148 777 HD12 LEU 100 2HD1 LEU 100 8.420 9.010 -0.042 778 HD13 LEU 100 3HD1 LEU 100 6.679 9.242 -0.203 779 HD21 LEU 100 1HD2 LEU 100 6.585 7.821 3.434 780 HD22 LEU 100 2HD2 LEU 100 8.236 7.415 2.966 781 HD23 LEU 100 3HD2 LEU 100 6.882 6.902 1.958 782 H LYS 101 H LYS 101 9.505 9.827 5.932 783 HA LYS 101 HA LYS 101 11.755 11.622 5.705 784 HB2 LYS 101 1HB LYS 101 10.708 9.785 7.828 785 HB3 LYS 101 2HB LYS 101 12.348 10.408 7.948 786 HG2 LYS 101 1HG LYS 101 9.939 12.175 7.618 787 HG3 LYS 101 2HG LYS 101 10.593 11.703 9.188 788 HD2 LYS 101 1HD LYS 101 12.359 12.941 7.109 789 HD3 LYS 101 2HD LYS 101 11.338 13.950 8.136 790 HE2 LYS 101 1HE LYS 101 13.297 11.911 9.180 791 HE3 LYS 101 2HE LYS 101 13.669 13.623 8.980 792 HZ1 LYS 101 1HZ LYS 101 12.412 14.197 10.748 793 HZ2 LYS 101 2HZ LYS 101 12.749 12.614 11.238 794 HZ3 LYS 101 3HZ LYS 101 11.270 12.974 10.499 795 H LEU 102 H LEU 102 11.882 9.826 3.649 796 HA LEU 102 HA LEU 102 13.719 7.700 4.394 797 HB2 LEU 102 1HB LEU 102 12.643 8.517 1.699 798 HB3 LEU 102 2HB LEU 102 13.619 7.086 2.020 799 HG LEU 102 HG LEU 102 10.959 7.500 3.350 800 HD11 LEU 102 1HD1 LEU 102 10.538 7.674 0.974 801 HD12 LEU 102 2HD1 LEU 102 9.974 6.114 1.572 802 HD13 LEU 102 3HD1 LEU 102 11.487 6.219 0.672 803 HD21 LEU 102 1HD2 LEU 102 12.425 4.972 2.622 804 HD22 LEU 102 2HD2 LEU 102 11.029 5.147 3.687 805 HD23 LEU 102 3HD2 LEU 102 12.599 5.787 4.177 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 9.313 24.166 -13.602 2 HA2 GLY 1 1HA GLY 1 6.884 22.956 -13.959 3 HA3 GLY 1 2HA GLY 1 6.721 24.498 -14.787 4 H SER 2 H SER 2 7.421 21.343 -15.255 5 HA SER 2 HA SER 2 9.019 21.944 -17.655 6 HB2 SER 2 1HB SER 2 10.282 19.922 -17.376 7 HB3 SER 2 2HB SER 2 10.343 20.792 -15.843 8 HG SER 2 HG SER 2 9.817 18.419 -15.861 9 H SER 3 H SER 3 7.995 21.433 -19.462 10 HA SER 3 HA SER 3 5.513 20.072 -19.484 11 HB2 SER 3 1HB SER 3 5.628 20.288 -21.916 12 HB3 SER 3 2HB SER 3 6.136 21.793 -21.151 13 HG SER 3 HG SER 3 8.266 21.261 -21.575 14 H GLY 4 H GLY 4 4.991 17.991 -19.865 15 HA2 GLY 4 1HA GLY 4 6.603 16.121 -21.224 16 HA3 GLY 4 2HA GLY 4 6.875 15.953 -19.496 17 H SER 5 H SER 5 5.973 13.757 -20.436 18 HA SER 5 HA SER 5 3.045 13.783 -20.110 19 HB2 SER 5 1HB SER 5 4.833 11.864 -21.614 20 HB3 SER 5 2HB SER 5 3.123 11.561 -21.305 21 HG SER 5 HG SER 5 4.065 12.828 -23.327 22 H SER 6 H SER 6 2.129 11.815 -19.090 23 HA SER 6 HA SER 6 3.690 11.144 -16.722 24 HB2 SER 6 1HB SER 6 1.644 10.482 -15.714 25 HB3 SER 6 2HB SER 6 1.263 11.933 -16.640 26 HG SER 6 HG SER 6 -0.270 10.262 -16.975 27 H GLY 7 H GLY 7 4.086 9.023 -16.031 28 HA2 GLY 7 1HA GLY 7 4.746 7.184 -18.072 29 HA3 GLY 7 2HA GLY 7 4.756 6.850 -16.347 30 H ARG 8 H ARG 8 3.693 5.518 -18.962 31 HA ARG 8 HA ARG 8 0.960 4.992 -18.015 32 HB2 ARG 8 1HB ARG 8 1.151 5.763 -20.340 33 HB3 ARG 8 2HB ARG 8 2.220 4.414 -20.702 34 HG2 ARG 8 1HG ARG 8 0.356 2.871 -20.094 35 HG3 ARG 8 2HG ARG 8 -0.692 4.284 -19.960 36 HD2 ARG 8 1HD ARG 8 0.886 3.671 -22.444 37 HD3 ARG 8 2HD ARG 8 -0.730 3.023 -22.169 38 HE ARG 8 HE ARG 8 -0.853 5.776 -21.783 39 HH11 ARG 8 1HH1 ARG 8 -0.214 3.523 -24.359 40 HH12 ARG 8 2HH1 ARG 8 -0.806 4.576 -25.602 41 HH21 ARG 8 1HH2 ARG 8 -1.634 7.171 -23.410 42 HH22 ARG 8 2HH2 ARG 8 -1.612 6.651 -25.061 43 H PHE 9 H PHE 9 3.897 3.364 -19.161 44 HA PHE 9 HA PHE 9 2.902 0.864 -17.969 45 HB2 PHE 9 1HB PHE 9 5.216 1.069 -19.887 46 HB3 PHE 9 2HB PHE 9 4.251 -0.347 -19.486 47 HD1 PHE 9 HD1 PHE 9 1.832 -0.398 -20.234 48 HD2 PHE 9 HD2 PHE 9 4.658 2.428 -21.698 49 HE1 PHE 9 HE1 PHE 9 0.387 0.035 -22.177 50 HE2 PHE 9 HE2 PHE 9 3.217 2.867 -23.643 51 HZ PHE 9 HZ PHE 9 1.078 1.670 -23.884 52 H THR 10 H THR 10 5.648 3.061 -18.131 53 HA THR 10 HA THR 10 7.034 1.536 -16.050 54 HB THR 10 HB THR 10 8.204 4.017 -17.226 55 HG1 THR 10 HG1 THR 10 8.685 3.032 -19.114 56 HG21 THR 10 1HG2 THR 10 10.276 2.703 -17.028 57 HG22 THR 10 2HG2 THR 10 9.338 1.326 -16.449 58 HG23 THR 10 3HG2 THR 10 9.417 2.805 -15.492 59 H TRP 11 H TRP 11 7.192 2.213 -13.998 60 HA TRP 11 HA TRP 11 5.631 4.472 -13.153 61 HB2 TRP 11 1HB TRP 11 7.492 2.869 -11.405 62 HB3 TRP 11 2HB TRP 11 6.031 3.736 -10.939 63 HD1 TRP 11 HD1 TRP 11 7.070 0.590 -12.938 64 HE1 TRP 11 HE1 TRP 11 5.142 -1.111 -12.804 65 HE3 TRP 11 HE3 TRP 11 3.645 3.440 -10.431 66 HZ2 TRP 11 HZ2 TRP 11 2.517 -1.228 -11.774 67 HZ3 TRP 11 HZ3 TRP 11 1.450 2.459 -9.911 68 HH2 TRP 11 HH2 TRP 11 0.899 0.174 -10.569 69 H SER 12 H SER 12 6.442 6.437 -13.572 70 HA SER 12 HA SER 12 9.294 6.944 -13.270 71 HB2 SER 12 1HB SER 12 6.993 8.489 -14.429 72 HB3 SER 12 2HB SER 12 8.506 9.307 -14.039 73 HG SER 12 HG SER 12 8.535 8.581 -16.180 74 H MET 13 H MET 13 10.202 8.026 -11.624 75 HA MET 13 HA MET 13 8.866 9.905 -9.991 76 HB2 MET 13 1HB MET 13 7.845 7.703 -9.220 77 HB3 MET 13 2HB MET 13 9.434 7.301 -8.583 78 HG2 MET 13 1HG MET 13 9.351 9.316 -7.174 79 HG3 MET 13 2HG MET 13 7.728 9.644 -7.777 80 HE1 MET 13 1HE MET 13 9.140 6.533 -4.809 81 HE2 MET 13 2HE MET 13 9.181 5.909 -6.458 82 HE3 MET 13 3HE MET 13 10.082 7.368 -6.044 83 H LYS 14 H LYS 14 10.240 10.814 -8.364 84 HA LYS 14 HA LYS 14 13.078 10.304 -8.909 85 HB2 LYS 14 1HB LYS 14 11.964 12.629 -9.136 86 HB3 LYS 14 2HB LYS 14 12.004 12.659 -7.378 87 HG2 LYS 14 1HG LYS 14 14.402 12.478 -7.378 88 HG3 LYS 14 2HG LYS 14 14.421 12.276 -9.131 89 HD2 LYS 14 1HD LYS 14 14.939 14.518 -8.894 90 HD3 LYS 14 2HD LYS 14 13.192 14.568 -9.143 91 HE2 LYS 14 1HE LYS 14 12.770 14.966 -6.872 92 HE3 LYS 14 2HE LYS 14 14.386 14.450 -6.391 93 HZ1 LYS 14 1HZ LYS 14 13.729 16.913 -7.916 94 HZ2 LYS 14 2HZ LYS 14 15.288 16.414 -7.491 95 HZ3 LYS 14 3HZ LYS 14 14.180 16.845 -6.287 96 H THR 15 H THR 15 10.707 10.444 -6.327 97 HA THR 15 HA THR 15 12.289 10.414 -4.078 98 HB THR 15 HB THR 15 9.847 8.664 -4.372 99 HG1 THR 15 HG1 THR 15 9.996 11.469 -3.868 100 HG21 THR 15 1HG2 THR 15 10.107 10.185 -1.932 101 HG22 THR 15 2HG2 THR 15 11.542 9.199 -2.214 102 HG23 THR 15 3HG2 THR 15 9.950 8.443 -2.155 103 H THR 16 H THR 16 13.428 8.908 -2.931 104 HA THR 16 HA THR 16 13.420 6.122 -3.667 105 HB THR 16 HB THR 16 15.876 6.039 -4.126 106 HG1 THR 16 HG1 THR 16 15.560 8.867 -4.340 107 HG21 THR 16 1HG2 THR 16 15.693 6.591 -6.433 108 HG22 THR 16 2HG2 THR 16 14.429 7.780 -6.117 109 HG23 THR 16 3HG2 THR 16 14.093 6.061 -5.915 110 H SER 17 H SER 17 15.124 4.907 -2.355 111 HA SER 17 HA SER 17 15.590 6.244 0.225 112 HB2 SER 17 1HB SER 17 13.598 4.628 0.196 113 HB3 SER 17 2HB SER 17 14.792 3.342 0.019 114 HG SER 17 HG SER 17 14.461 3.564 2.180 115 H SER 18 H SER 18 16.555 3.807 -2.100 116 HA SER 18 HA SER 18 18.545 2.788 -2.520 117 HB2 SER 18 1HB SER 18 19.521 4.992 -2.561 118 HB3 SER 18 2HB SER 18 19.569 5.056 -0.799 119 HG SER 18 HG SER 18 21.532 4.366 -2.196 120 H MET 19 H MET 19 17.015 1.587 -0.606 121 HA MET 19 HA MET 19 18.997 0.133 0.874 122 HB2 MET 19 1HB MET 19 17.966 0.510 3.095 123 HB3 MET 19 2HB MET 19 18.700 1.962 2.429 124 HG2 MET 19 1HG MET 19 16.379 2.581 1.615 125 HG3 MET 19 2HG MET 19 15.788 1.284 2.651 126 HE1 MET 19 1HE MET 19 14.959 1.527 4.541 127 HE2 MET 19 2HE MET 19 15.435 2.540 5.904 128 HE3 MET 19 3HE MET 19 14.353 3.178 4.665 129 H ASP 20 H ASP 20 17.905 -1.610 2.244 130 HA ASP 20 HA ASP 20 16.365 -3.256 0.691 131 HB2 ASP 20 1HB ASP 20 16.718 -3.063 3.666 132 HB3 ASP 20 2HB ASP 20 15.616 -4.253 2.980 133 HA PRO 21 HA PRO 21 12.301 -1.571 0.614 134 HB2 PRO 21 1HB PRO 21 10.903 -3.833 0.070 135 HB3 PRO 21 2HB PRO 21 11.901 -3.009 -1.133 136 HG2 PRO 21 1HG PRO 21 12.539 -5.415 0.529 137 HG3 PRO 21 2HG PRO 21 12.863 -5.125 -1.190 138 HD2 PRO 21 1HD PRO 21 14.764 -4.846 0.718 139 HD3 PRO 21 2HD PRO 21 14.733 -3.851 -0.751 140 H SER 22 H SER 22 12.847 -4.506 2.525 141 HA SER 22 HA SER 22 10.521 -4.603 3.995 142 HB2 SER 22 1HB SER 22 13.259 -5.137 5.158 143 HB3 SER 22 2HB SER 22 11.728 -5.869 5.635 144 HG SER 22 HG SER 22 11.895 -7.238 4.043 145 H ASP 23 H ASP 23 13.095 -2.307 4.175 146 HA ASP 23 HA ASP 23 12.369 -1.300 6.779 147 HB2 ASP 23 1HB ASP 23 14.314 -0.408 4.660 148 HB3 ASP 23 2HB ASP 23 13.985 0.577 6.083 149 H MET 24 H MET 24 12.077 -0.171 3.422 150 HA MET 24 HA MET 24 10.907 2.281 3.818 151 HB2 MET 24 1HB MET 24 10.695 0.226 1.668 152 HB3 MET 24 2HB MET 24 9.575 1.581 1.632 153 HG2 MET 24 1HG MET 24 11.239 3.124 1.255 154 HG3 MET 24 2HG MET 24 12.494 2.094 1.941 155 HE1 MET 24 1HE MET 24 10.214 2.488 -1.525 156 HE2 MET 24 2HE MET 24 11.249 3.730 -0.821 157 HE3 MET 24 3HE MET 24 11.760 2.878 -2.279 158 H MET 25 H MET 25 9.243 -0.857 3.576 159 HA MET 25 HA MET 25 6.632 -0.104 3.767 160 HB2 MET 25 1HB MET 25 8.104 -2.449 4.927 161 HB3 MET 25 2HB MET 25 6.380 -2.252 5.210 162 HG2 MET 25 1HG MET 25 7.726 -2.475 2.528 163 HG3 MET 25 2HG MET 25 6.792 -3.731 3.338 164 HE1 MET 25 1HE MET 25 3.487 -3.397 2.008 165 HE2 MET 25 2HE MET 25 4.790 -4.312 2.766 166 HE3 MET 25 3HE MET 25 3.794 -3.226 3.737 167 H ARG 26 H ARG 26 8.982 -0.284 6.395 168 HA ARG 26 HA ARG 26 7.182 0.190 8.512 169 HB2 ARG 26 1HB ARG 26 9.674 -0.590 8.536 170 HB3 ARG 26 2HB ARG 26 10.028 1.132 8.588 171 HG2 ARG 26 1HG ARG 26 8.996 1.397 10.673 172 HG3 ARG 26 2HG ARG 26 8.163 -0.154 10.551 173 HD2 ARG 26 1HD ARG 26 10.636 -1.070 10.419 174 HD3 ARG 26 2HD ARG 26 10.991 0.441 11.256 175 HE ARG 26 HE ARG 26 8.961 -0.588 12.706 176 HH11 ARG 26 1HH1 ARG 26 11.989 -1.897 11.594 177 HH12 ARG 26 2HH1 ARG 26 12.168 -2.974 12.939 178 HH21 ARG 26 1HH2 ARG 26 9.185 -2.001 14.483 179 HH22 ARG 26 2HH2 ARG 26 10.571 -3.032 14.582 180 H GLU 27 H GLU 27 9.550 2.466 7.109 181 HA GLU 27 HA GLU 27 8.645 4.767 8.324 182 HB2 GLU 27 1HB GLU 27 10.717 4.656 7.021 183 HB3 GLU 27 2HB GLU 27 9.788 4.489 5.539 184 HG2 GLU 27 1HG GLU 27 10.709 6.774 6.000 185 HG3 GLU 27 2HG GLU 27 8.978 6.698 5.678 186 H ILE 28 H ILE 28 7.624 3.439 5.187 187 HA ILE 28 HA ILE 28 5.892 5.347 4.308 188 HB ILE 28 HB ILE 28 5.476 2.357 4.221 189 HG12 ILE 28 1HG1 ILE 28 6.422 4.124 1.978 190 HG13 ILE 28 2HG1 ILE 28 7.555 3.487 3.166 191 HG21 ILE 28 1HG2 ILE 28 3.756 4.517 3.398 192 HG22 ILE 28 2HG2 ILE 28 4.246 3.539 2.015 193 HG23 ILE 28 3HG2 ILE 28 3.456 2.779 3.396 194 HD11 ILE 28 1HD1 ILE 28 6.637 2.247 0.840 195 HD12 ILE 28 2HD1 ILE 28 7.635 1.546 2.114 196 HD13 ILE 28 3HD1 ILE 28 5.880 1.383 2.177 197 H ARG 29 H ARG 29 4.921 2.612 6.389 198 HA ARG 29 HA ARG 29 2.316 3.515 6.874 199 HB2 ARG 29 1HB ARG 29 4.080 1.784 8.616 200 HB3 ARG 29 2HB ARG 29 2.340 1.962 8.795 201 HG2 ARG 29 1HG ARG 29 2.027 1.008 6.554 202 HG3 ARG 29 2HG ARG 29 3.773 0.792 6.420 203 HD2 ARG 29 1HD ARG 29 2.272 -0.370 8.733 204 HD3 ARG 29 2HD ARG 29 2.292 -1.199 7.178 205 HE ARG 29 HE ARG 29 4.926 -0.567 7.860 206 HH11 ARG 29 1HH1 ARG 29 2.327 -2.604 8.964 207 HH12 ARG 29 2HH1 ARG 29 3.380 -3.807 9.633 208 HH21 ARG 29 1HH2 ARG 29 6.322 -2.144 8.736 209 HH22 ARG 29 2HH2 ARG 29 5.652 -3.544 9.503 210 H LYS 30 H LYS 30 5.264 3.885 8.830 211 HA LYS 30 HA LYS 30 4.357 5.154 11.042 212 HB2 LYS 30 1HB LYS 30 6.778 4.657 10.300 213 HB3 LYS 30 2HB LYS 30 6.739 6.257 9.571 214 HG2 LYS 30 1HG LYS 30 6.015 7.078 11.892 215 HG3 LYS 30 2HG LYS 30 6.579 5.507 12.465 216 HD2 LYS 30 1HD LYS 30 8.713 6.165 11.041 217 HD3 LYS 30 2HD LYS 30 8.118 7.797 11.354 218 HE2 LYS 30 1HE LYS 30 8.282 5.893 13.633 219 HE3 LYS 30 2HE LYS 30 9.783 6.575 13.010 220 HZ1 LYS 30 1HZ LYS 30 7.439 8.127 13.969 221 HZ2 LYS 30 2HZ LYS 30 8.866 8.791 13.350 222 HZ3 LYS 30 3HZ LYS 30 8.898 7.920 14.800 223 H VAL 31 H VAL 31 5.131 6.793 7.973 224 HA VAL 31 HA VAL 31 4.295 9.356 8.800 225 HB VAL 31 HB VAL 31 4.563 8.156 6.045 226 HG11 VAL 31 1HG1 VAL 31 2.906 9.988 6.057 227 HG12 VAL 31 2HG1 VAL 31 4.127 11.056 6.751 228 HG13 VAL 31 3HG1 VAL 31 4.356 10.384 5.136 229 HG21 VAL 31 1HG2 VAL 31 6.429 9.136 7.938 230 HG22 VAL 31 2HG2 VAL 31 6.729 8.580 6.291 231 HG23 VAL 31 3HG2 VAL 31 6.374 10.280 6.596 232 H LEU 32 H LEU 32 2.653 6.998 6.682 233 HA LEU 32 HA LEU 32 0.293 8.282 6.232 234 HB2 LEU 32 1HB LEU 32 0.702 5.356 6.826 235 HB3 LEU 32 2HB LEU 32 -0.767 6.037 6.130 236 HG LEU 32 HG LEU 32 1.824 6.500 4.732 237 HD11 LEU 32 1HD1 LEU 32 1.044 4.290 3.473 238 HD12 LEU 32 2HD1 LEU 32 0.496 3.880 5.098 239 HD13 LEU 32 3HD1 LEU 32 2.193 4.265 4.811 240 HD21 LEU 32 1HD2 LEU 32 -0.766 5.765 3.459 241 HD22 LEU 32 2HD2 LEU 32 0.509 6.839 2.885 242 HD23 LEU 32 3HD2 LEU 32 -0.586 7.372 4.162 243 H GLY 33 H GLY 33 0.851 6.042 8.960 244 HA2 GLY 33 1HA GLY 33 -1.545 6.359 10.280 245 HA3 GLY 33 2HA GLY 33 -0.019 6.033 11.088 246 H ALA 34 H ALA 34 1.235 8.515 10.298 247 HA ALA 34 HA ALA 34 0.300 10.158 12.431 248 HB1 ALA 34 1HB ALA 34 2.262 11.226 12.223 249 HB2 ALA 34 2HB ALA 34 2.680 9.891 11.149 250 HB3 ALA 34 3HB ALA 34 2.091 11.412 10.477 251 H ASN 35 H ASN 35 -0.031 10.227 8.929 252 HA ASN 35 HA ASN 35 -1.395 12.788 8.982 253 HB2 ASN 35 1HB ASN 35 -0.905 10.878 6.685 254 HB3 ASN 35 2HB ASN 35 -1.544 12.513 6.542 255 HD21 ASN 35 1HD2 ASN 35 1.045 10.920 5.824 256 HD22 ASN 35 2HD2 ASN 35 2.291 12.055 6.201 257 H ASN 36 H ASN 36 -2.600 10.624 10.457 258 HA ASN 36 HA ASN 36 -4.555 9.446 10.687 259 HB2 ASN 36 1HB ASN 36 -5.621 11.914 9.296 260 HB3 ASN 36 2HB ASN 36 -6.545 10.817 10.319 261 HD21 ASN 36 1HD2 ASN 36 -5.675 13.749 10.425 262 HD22 ASN 36 2HD2 ASN 36 -5.091 13.934 12.041 263 H CYS 37 H CYS 37 -3.133 8.665 8.371 264 HA CYS 37 HA CYS 37 -5.152 8.353 6.288 265 HB2 CYS 37 1HB CYS 37 -2.195 7.906 6.442 266 HB3 CYS 37 2HB CYS 37 -3.127 7.077 5.201 267 HG CYS 37 HG CYS 37 -2.752 10.451 5.587 268 H ASP 38 H ASP 38 -5.550 6.221 5.354 269 HA ASP 38 HA ASP 38 -5.461 4.115 7.413 270 HB2 ASP 38 1HB ASP 38 -7.506 4.684 5.266 271 HB3 ASP 38 2HB ASP 38 -7.465 3.176 6.174 272 H TYR 39 H TYR 39 -3.993 2.619 6.972 273 HA TYR 39 HA TYR 39 -3.521 1.896 4.155 274 HB2 TYR 39 1HB TYR 39 -1.268 1.185 4.855 275 HB3 TYR 39 2HB TYR 39 -1.549 2.888 5.198 276 HD1 TYR 39 HD1 TYR 39 -1.977 3.616 7.543 277 HD2 TYR 39 HD2 TYR 39 -0.805 -0.364 6.599 278 HE1 TYR 39 HE1 TYR 39 -1.342 3.252 9.892 279 HE2 TYR 39 HE2 TYR 39 -0.168 -0.739 8.945 280 HH TYR 39 HH TYR 39 0.144 1.780 11.190 281 H GLU 40 H GLU 40 -3.553 -0.230 3.555 282 HA GLU 40 HA GLU 40 -4.027 -2.244 5.634 283 HB2 GLU 40 1HB GLU 40 -5.672 -2.062 3.107 284 HB3 GLU 40 2HB GLU 40 -5.879 -3.207 4.424 285 HG2 GLU 40 1HG GLU 40 -6.160 -0.244 4.808 286 HG3 GLU 40 2HG GLU 40 -7.505 -1.273 4.318 287 H GLN 41 H GLN 41 -3.553 -4.412 4.991 288 HA GLN 41 HA GLN 41 -1.289 -4.591 3.268 289 HB2 GLN 41 1HB GLN 41 -1.949 -5.995 5.391 290 HB3 GLN 41 2HB GLN 41 -2.769 -7.012 4.214 291 HG2 GLN 41 1HG GLN 41 0.157 -6.309 4.203 292 HG3 GLN 41 2HG GLN 41 -0.541 -7.844 4.714 293 HE21 GLN 41 1HE2 GLN 41 1.401 -7.480 2.675 294 HE22 GLN 41 2HE2 GLN 41 0.701 -8.010 1.187 295 H ARG 42 H ARG 42 -1.404 -4.620 1.129 296 HA ARG 42 HA ARG 42 -3.773 -5.782 -0.158 297 HB2 ARG 42 1HB ARG 42 -1.770 -3.715 -0.979 298 HB3 ARG 42 2HB ARG 42 -2.637 -4.614 -2.217 299 HG2 ARG 42 1HG ARG 42 -4.161 -3.299 -0.017 300 HG3 ARG 42 2HG ARG 42 -3.553 -2.335 -1.365 301 HD2 ARG 42 1HD ARG 42 -5.671 -2.923 -2.088 302 HD3 ARG 42 2HD ARG 42 -4.658 -4.154 -2.841 303 HE ARG 42 HE ARG 42 -5.616 -5.748 -1.478 304 HH11 ARG 42 1HH1 ARG 42 -6.562 -2.563 -0.439 305 HH12 ARG 42 2HH1 ARG 42 -7.783 -3.138 0.647 306 HH21 ARG 42 1HH2 ARG 42 -7.221 -6.517 -0.053 307 HH22 ARG 42 2HH2 ARG 42 -8.157 -5.388 0.866 308 H GLU 43 H GLU 43 -0.373 -5.451 -1.166 309 HA GLU 43 HA GLU 43 -0.393 -8.321 -1.836 310 HB2 GLU 43 1HB GLU 43 1.218 -6.265 -3.332 311 HB3 GLU 43 2HB GLU 43 0.840 -7.913 -3.812 312 HG2 GLU 43 1HG GLU 43 -1.091 -5.611 -3.649 313 HG3 GLU 43 2HG GLU 43 -0.441 -6.339 -5.117 314 H ARG 44 H ARG 44 2.130 -8.858 -2.396 315 HA ARG 44 HA ARG 44 3.456 -9.362 -0.141 316 HB2 ARG 44 1HB ARG 44 4.479 -8.644 -2.858 317 HB3 ARG 44 2HB ARG 44 5.630 -8.886 -1.550 318 HG2 ARG 44 1HG ARG 44 3.549 -10.919 -2.306 319 HG3 ARG 44 2HG ARG 44 5.177 -10.890 -2.987 320 HD2 ARG 44 1HD ARG 44 6.163 -11.506 -1.008 321 HD3 ARG 44 2HD ARG 44 4.862 -10.833 -0.027 322 HE ARG 44 HE ARG 44 3.804 -12.966 -1.464 323 HH11 ARG 44 1HH1 ARG 44 6.197 -12.415 1.003 324 HH12 ARG 44 2HH1 ARG 44 5.997 -13.975 1.729 325 HH21 ARG 44 1HH2 ARG 44 3.531 -15.023 -0.518 326 HH22 ARG 44 2HH2 ARG 44 4.481 -15.458 0.863 327 H PHE 45 H PHE 45 4.285 -6.446 -2.026 328 HA PHE 45 HA PHE 45 4.955 -5.120 0.519 329 HB2 PHE 45 1HB PHE 45 6.342 -5.021 -2.151 330 HB3 PHE 45 2HB PHE 45 6.555 -3.743 -0.959 331 HD1 PHE 45 HD1 PHE 45 6.963 -7.378 -1.522 332 HD2 PHE 45 HD2 PHE 45 8.043 -3.999 0.831 333 HE1 PHE 45 HE1 PHE 45 8.710 -8.711 -0.415 334 HE2 PHE 45 HE2 PHE 45 9.792 -5.326 1.941 335 HZ PHE 45 HZ PHE 45 10.128 -7.685 1.318 336 H LEU 46 H LEU 46 2.521 -5.211 -1.379 337 HA LEU 46 HA LEU 46 2.297 -2.347 -1.962 338 HB2 LEU 46 1HB LEU 46 1.733 -4.301 -3.605 339 HB3 LEU 46 2HB LEU 46 0.220 -4.359 -2.704 340 HG LEU 46 HG LEU 46 1.108 -1.746 -3.827 341 HD11 LEU 46 1HD1 LEU 46 0.524 -2.195 -5.993 342 HD12 LEU 46 2HD1 LEU 46 -0.490 -3.569 -5.554 343 HD13 LEU 46 3HD1 LEU 46 1.266 -3.730 -5.541 344 HD21 LEU 46 1HD2 LEU 46 -0.857 -1.341 -2.809 345 HD22 LEU 46 2HD2 LEU 46 -1.353 -3.032 -2.858 346 HD23 LEU 46 3HD2 LEU 46 -1.545 -2.015 -4.286 347 H LEU 47 H LEU 47 0.630 -1.088 -1.146 348 HA LEU 47 HA LEU 47 -1.114 -2.304 0.873 349 HB2 LEU 47 1HB LEU 47 0.373 0.275 1.323 350 HB3 LEU 47 2HB LEU 47 -0.662 -0.576 2.468 351 HG LEU 47 HG LEU 47 1.958 -1.654 1.434 352 HD11 LEU 47 1HD1 LEU 47 1.330 -0.168 3.978 353 HD12 LEU 47 2HD1 LEU 47 2.425 0.336 2.691 354 HD13 LEU 47 3HD1 LEU 47 2.819 -1.067 3.684 355 HD21 LEU 47 1HD2 LEU 47 -0.103 -3.016 2.553 356 HD22 LEU 47 2HD2 LEU 47 0.824 -2.566 3.985 357 HD23 LEU 47 3HD2 LEU 47 1.592 -3.482 2.687 358 H PHE 48 H PHE 48 -2.917 -0.861 1.505 359 HA PHE 48 HA PHE 48 -3.765 0.762 -0.798 360 HB2 PHE 48 1HB PHE 48 -5.156 -1.231 -0.290 361 HB3 PHE 48 2HB PHE 48 -5.489 -0.564 1.305 362 HD1 PHE 48 HD2 PHE 48 -5.418 1.036 -2.058 363 HD2 PHE 48 HD1 PHE 48 -7.722 -0.006 1.366 364 HE1 PHE 48 HE2 PHE 48 -7.337 2.269 -2.979 365 HE2 PHE 48 HE1 PHE 48 -9.646 1.224 0.449 366 HZ PHE 48 HZ PHE 48 -9.455 2.364 -1.725 367 H CYS 49 H CYS 49 -3.195 2.815 -0.343 368 HA CYS 49 HA CYS 49 -3.569 3.886 2.334 369 HB2 CYS 49 1HB CYS 49 -2.581 5.345 -0.119 370 HB3 CYS 49 2HB CYS 49 -2.374 5.819 1.563 371 HG CYS 49 HG CYS 49 -1.059 2.845 0.646 372 H VAL 50 H VAL 50 -5.076 5.369 2.926 373 HA VAL 50 HA VAL 50 -6.880 6.435 0.875 374 HB VAL 50 HB VAL 50 -7.702 4.818 3.272 375 HG11 VAL 50 1HG1 VAL 50 -10.070 5.663 2.382 376 HG12 VAL 50 2HG1 VAL 50 -9.183 6.495 3.661 377 HG13 VAL 50 3HG1 VAL 50 -9.110 7.093 2.002 378 HG21 VAL 50 1HG2 VAL 50 -9.347 4.203 1.176 379 HG22 VAL 50 2HG2 VAL 50 -7.822 4.553 0.362 380 HG23 VAL 50 3HG2 VAL 50 -7.888 3.317 1.618 381 H HIS 51 H HIS 51 -7.442 8.506 1.203 382 HA HIS 51 HA HIS 51 -7.271 9.664 3.872 383 HB2 HIS 51 1HB HIS 51 -5.033 9.891 2.577 384 HB3 HIS 51 2HB HIS 51 -5.893 11.088 1.612 385 HD1 HIS 51 HD1 HIS 51 -5.122 13.302 2.389 386 HD2 HIS 51 HD2 HIS 51 -5.792 10.701 5.559 387 HE1 HIS 51 HE1 HIS 51 -4.733 14.662 4.468 388 HE2 HIS 51 HE2 HIS 51 -5.061 13.046 6.371 389 H GLY 52 H GLY 52 -8.522 11.520 4.154 390 HA2 GLY 52 1HA GLY 52 -10.140 12.339 1.826 391 HA3 GLY 52 2HA GLY 52 -10.903 11.951 3.361 392 H ASP 53 H ASP 53 -8.396 14.068 1.984 393 HA ASP 53 HA ASP 53 -8.720 15.979 4.128 394 HB2 ASP 53 1HB ASP 53 -6.508 15.537 3.076 395 HB3 ASP 53 2HB ASP 53 -7.118 16.226 1.574 396 H GLY 54 H GLY 54 -11.153 15.702 3.028 397 HA2 GLY 54 1HA GLY 54 -11.828 18.338 2.275 398 HA3 GLY 54 2HA GLY 54 -11.808 17.317 0.844 399 H HIS 55 H HIS 55 -13.726 16.546 0.305 400 HA HIS 55 HA HIS 55 -15.764 16.247 2.397 401 HB2 HIS 55 1HB HIS 55 -15.893 16.768 -0.552 402 HB3 HIS 55 2HB HIS 55 -17.275 16.049 0.269 403 HD1 HIS 55 HD1 HIS 55 -18.199 17.533 2.366 404 HD2 HIS 55 HD2 HIS 55 -15.811 19.477 -0.423 405 HE1 HIS 55 HE1 HIS 55 -18.630 19.987 2.707 406 HE2 HIS 55 HE2 HIS 55 -17.239 21.140 0.952 407 H ALA 56 H ALA 56 -17.407 14.454 1.882 408 HA ALA 56 HA ALA 56 -16.075 11.973 2.011 409 HB1 ALA 56 1HB ALA 56 -18.188 12.254 3.107 410 HB2 ALA 56 2HB ALA 56 -18.986 12.619 1.577 411 HB3 ALA 56 3HB ALA 56 -18.359 10.999 1.880 412 H GLU 57 H GLU 57 -18.127 13.369 -0.549 413 HA GLU 57 HA GLU 57 -17.633 11.237 -2.375 414 HB2 GLU 57 1HB GLU 57 -18.616 14.022 -3.008 415 HB3 GLU 57 2HB GLU 57 -18.814 12.582 -3.997 416 HG2 GLU 57 1HG GLU 57 -20.423 11.681 -2.600 417 HG3 GLU 57 2HG GLU 57 -19.929 12.673 -1.228 418 H ASN 58 H ASN 58 -15.577 13.488 -1.235 419 HA ASN 58 HA ASN 58 -14.080 13.646 -3.769 420 HB2 ASN 58 1HB ASN 58 -14.316 15.594 -1.488 421 HB3 ASN 58 2HB ASN 58 -12.932 15.638 -2.576 422 HD21 ASN 58 1HD2 ASN 58 -16.473 15.456 -2.708 423 HD22 ASN 58 2HD2 ASN 58 -16.649 16.554 -4.030 424 H LEU 59 H LEU 59 -14.076 11.514 -1.720 425 HA LEU 59 HA LEU 59 -11.645 11.716 -0.237 426 HB2 LEU 59 1HB LEU 59 -13.606 10.273 0.354 427 HB3 LEU 59 2HB LEU 59 -13.152 9.216 -0.980 428 HG LEU 59 HG LEU 59 -10.843 9.181 0.335 429 HD11 LEU 59 1HD1 LEU 59 -10.898 9.663 2.536 430 HD12 LEU 59 2HD1 LEU 59 -12.578 9.161 2.718 431 HD13 LEU 59 3HD1 LEU 59 -12.200 10.747 2.047 432 HD21 LEU 59 1HD2 LEU 59 -11.519 7.091 1.298 433 HD22 LEU 59 2HD2 LEU 59 -12.313 7.267 -0.267 434 HD23 LEU 59 3HD2 LEU 59 -13.220 7.551 1.219 435 H VAL 60 H VAL 60 -9.629 10.987 -0.707 436 HA VAL 60 HA VAL 60 -9.186 10.057 -3.463 437 HB VAL 60 HB VAL 60 -7.406 11.561 -1.556 438 HG11 VAL 60 1HG1 VAL 60 -6.678 9.793 -3.801 439 HG12 VAL 60 2HG1 VAL 60 -5.892 11.373 -3.774 440 HG13 VAL 60 3HG1 VAL 60 -5.740 10.287 -2.392 441 HG21 VAL 60 1HG2 VAL 60 -7.744 12.378 -4.366 442 HG22 VAL 60 2HG2 VAL 60 -9.186 12.494 -3.358 443 HG23 VAL 60 3HG2 VAL 60 -7.716 13.351 -2.896 444 H GLN 61 H GLN 61 -8.043 8.218 -3.878 445 HA GLN 61 HA GLN 61 -6.900 6.744 -1.619 446 HB2 GLN 61 1HB GLN 61 -8.695 5.421 -3.652 447 HB3 GLN 61 2HB GLN 61 -8.012 4.705 -2.198 448 HG2 GLN 61 1HG GLN 61 -9.490 5.795 -0.803 449 HG3 GLN 61 2HG GLN 61 -9.832 7.059 -1.984 450 HE21 GLN 61 1HE2 GLN 61 -10.891 4.192 -0.615 451 HE22 GLN 61 2HE2 GLN 61 -12.154 3.820 -1.733 452 H TRP 62 H TRP 62 -5.057 5.673 -2.087 453 HA TRP 62 HA TRP 62 -4.361 5.058 -4.837 454 HB2 TRP 62 1HB TRP 62 -2.331 6.332 -4.889 455 HB3 TRP 62 2HB TRP 62 -3.632 7.433 -4.443 456 HD1 TRP 62 HD1 TRP 62 -0.356 6.050 -3.209 457 HE1 TRP 62 HE1 TRP 62 0.234 7.125 -0.946 458 HE3 TRP 62 HE3 TRP 62 -4.804 8.371 -2.230 459 HZ2 TRP 62 HZ2 TRP 62 -1.021 8.743 0.997 460 HZ3 TRP 62 HZ3 TRP 62 -5.028 9.662 -0.147 461 HH2 TRP 62 HH2 TRP 62 -3.175 9.842 1.432 462 H GLU 63 H GLU 63 -2.560 3.628 -5.026 463 HA GLU 63 HA GLU 63 -2.169 2.027 -2.614 464 HB2 GLU 63 1HB GLU 63 -1.358 1.413 -5.460 465 HB3 GLU 63 2HB GLU 63 -1.343 0.295 -4.104 466 HG2 GLU 63 1HG GLU 63 -3.910 1.608 -4.806 467 HG3 GLU 63 2HG GLU 63 -3.306 0.330 -5.859 468 H MET 64 H MET 64 0.092 0.949 -2.507 469 HA MET 64 HA MET 64 2.280 2.637 -3.355 470 HB2 MET 64 1HB MET 64 1.432 2.432 -0.477 471 HB3 MET 64 2HB MET 64 3.103 2.763 -0.913 472 HG2 MET 64 1HG MET 64 2.290 4.725 -2.223 473 HG3 MET 64 2HG MET 64 0.686 4.430 -1.556 474 HE1 MET 64 1HE MET 64 4.428 4.533 -0.153 475 HE2 MET 64 2HE MET 64 4.116 5.981 -1.109 476 HE3 MET 64 3HE MET 64 4.346 6.108 0.636 477 H GLU 65 H GLU 65 3.865 1.321 -3.948 478 HA GLU 65 HA GLU 65 4.329 -1.136 -2.410 479 HB2 GLU 65 1HB GLU 65 3.019 -1.709 -4.427 480 HB3 GLU 65 2HB GLU 65 4.269 -0.985 -5.429 481 HG2 GLU 65 1HG GLU 65 5.797 -2.697 -4.107 482 HG3 GLU 65 2HG GLU 65 4.264 -3.556 -3.957 483 H VAL 66 H VAL 66 6.464 -1.870 -2.374 484 HA VAL 66 HA VAL 66 8.434 0.155 -3.176 485 HB VAL 66 HB VAL 66 8.779 -2.134 -1.234 486 HG11 VAL 66 1HG1 VAL 66 10.531 0.175 -2.031 487 HG12 VAL 66 2HG1 VAL 66 10.759 -0.712 -0.523 488 HG13 VAL 66 3HG1 VAL 66 10.903 -1.548 -2.069 489 HG21 VAL 66 1HG2 VAL 66 7.335 0.243 -0.896 490 HG22 VAL 66 2HG2 VAL 66 7.841 -0.893 0.355 491 HG23 VAL 66 3HG2 VAL 66 8.865 0.484 -0.052 492 H CYS 67 H CYS 67 9.506 -0.226 -4.991 493 HA CYS 67 HA CYS 67 10.396 -2.961 -5.565 494 HB2 CYS 67 1HB CYS 67 8.283 -2.121 -6.891 495 HB3 CYS 67 2HB CYS 67 9.477 -1.234 -7.831 496 HG CYS 67 HG CYS 67 10.331 -3.211 -9.255 497 H LYS 68 H LYS 68 12.281 -3.105 -6.865 498 HA LYS 68 HA LYS 68 14.012 -0.783 -6.586 499 HB2 LYS 68 1HB LYS 68 15.835 -2.277 -7.024 500 HB3 LYS 68 2HB LYS 68 14.752 -3.067 -5.886 501 HG2 LYS 68 1HG LYS 68 13.816 -4.415 -7.672 502 HG3 LYS 68 2HG LYS 68 14.838 -3.590 -8.851 503 HD2 LYS 68 1HD LYS 68 16.825 -4.480 -7.840 504 HD3 LYS 68 2HD LYS 68 15.895 -5.157 -6.501 505 HE2 LYS 68 1HE LYS 68 16.445 -6.915 -8.053 506 HE3 LYS 68 2HE LYS 68 14.710 -6.611 -8.115 507 HZ1 LYS 68 1HZ LYS 68 16.242 -5.064 -10.003 508 HZ2 LYS 68 2HZ LYS 68 14.828 -5.962 -10.235 509 HZ3 LYS 68 3HZ LYS 68 16.333 -6.734 -10.261 510 H LEU 69 H LEU 69 15.051 0.252 -8.270 511 HA LEU 69 HA LEU 69 13.842 -0.167 -10.909 512 HB2 LEU 69 1HB LEU 69 15.573 2.173 -10.280 513 HB3 LEU 69 2HB LEU 69 14.191 2.057 -11.368 514 HG LEU 69 HG LEU 69 12.899 1.741 -9.063 515 HD11 LEU 69 1HD1 LEU 69 14.657 3.805 -8.017 516 HD12 LEU 69 2HD1 LEU 69 15.443 2.231 -8.131 517 HD13 LEU 69 3HD1 LEU 69 13.948 2.405 -7.213 518 HD21 LEU 69 1HD2 LEU 69 13.106 4.479 -9.146 519 HD22 LEU 69 2HD2 LEU 69 12.003 3.498 -10.110 520 HD23 LEU 69 3HD2 LEU 69 13.554 3.999 -10.783 521 HA PRO 70 HA PRO 70 17.612 -1.927 -12.399 522 HB2 PRO 70 1HB PRO 70 17.078 -1.723 -15.053 523 HB3 PRO 70 2HB PRO 70 16.317 -2.930 -14.010 524 HG2 PRO 70 1HG PRO 70 15.242 -0.305 -14.967 525 HG3 PRO 70 2HG PRO 70 14.425 -1.875 -14.857 526 HD2 PRO 70 1HD PRO 70 14.088 0.075 -13.009 527 HD3 PRO 70 2HD PRO 70 14.027 -1.651 -12.598 528 H ARG 71 H ARG 71 16.416 1.046 -13.955 529 HA ARG 71 HA ARG 71 18.926 1.822 -15.010 530 HB2 ARG 71 1HB ARG 71 16.506 3.520 -14.372 531 HB3 ARG 71 2HB ARG 71 17.864 4.011 -15.377 532 HG2 ARG 71 1HG ARG 71 16.371 1.541 -16.099 533 HG3 ARG 71 2HG ARG 71 15.644 3.113 -16.438 534 HD2 ARG 71 1HD ARG 71 18.254 2.013 -17.451 535 HD3 ARG 71 2HD ARG 71 16.834 2.479 -18.387 536 HE ARG 71 HE ARG 71 17.581 4.776 -17.136 537 HH11 ARG 71 1HH1 ARG 71 19.207 2.475 -19.182 538 HH12 ARG 71 2HH1 ARG 71 20.287 3.646 -19.862 539 HH21 ARG 71 1HH2 ARG 71 18.998 6.327 -18.025 540 HH22 ARG 71 2HH2 ARG 71 20.167 5.837 -19.203 541 H LEU 72 H LEU 72 17.579 1.984 -11.871 542 HA LEU 72 HA LEU 72 19.688 3.861 -11.027 543 HB2 LEU 72 1HB LEU 72 17.138 3.246 -9.551 544 HB3 LEU 72 2HB LEU 72 18.311 4.510 -9.184 545 HG LEU 72 HG LEU 72 16.582 4.439 -11.655 546 HD11 LEU 72 1HD1 LEU 72 15.339 6.265 -10.566 547 HD12 LEU 72 2HD1 LEU 72 16.268 5.993 -9.092 548 HD13 LEU 72 3HD1 LEU 72 15.193 4.735 -9.701 549 HD21 LEU 72 1HD2 LEU 72 18.608 5.659 -12.043 550 HD22 LEU 72 2HD2 LEU 72 18.443 6.516 -10.511 551 HD23 LEU 72 3HD2 LEU 72 17.297 6.818 -11.818 552 H SER 73 H SER 73 20.636 3.467 -8.909 553 HA SER 73 HA SER 73 20.910 0.590 -8.409 554 HB2 SER 73 1HB SER 73 22.958 1.947 -8.914 555 HB3 SER 73 2HB SER 73 22.679 2.836 -7.416 556 HG SER 73 HG SER 73 24.157 1.071 -7.182 557 H LEU 74 H LEU 74 18.622 2.070 -7.450 558 HA LEU 74 HA LEU 74 18.856 1.394 -4.630 559 HB2 LEU 74 1HB LEU 74 17.589 3.598 -4.137 560 HB3 LEU 74 2HB LEU 74 19.342 3.618 -4.311 561 HG LEU 74 HG LEU 74 18.067 5.514 -5.402 562 HD11 LEU 74 1HD1 LEU 74 19.815 5.781 -6.771 563 HD12 LEU 74 2HD1 LEU 74 19.513 4.262 -7.613 564 HD13 LEU 74 3HD1 LEU 74 20.393 4.263 -6.085 565 HD21 LEU 74 1HD2 LEU 74 16.332 3.812 -6.309 566 HD22 LEU 74 2HD2 LEU 74 17.497 3.583 -7.614 567 HD23 LEU 74 3HD2 LEU 74 16.810 5.180 -7.315 568 H ASN 75 H ASN 75 16.503 2.111 -3.639 569 HA ASN 75 HA ASN 75 14.603 0.639 -5.314 570 HB2 ASN 75 1HB ASN 75 15.208 0.135 -2.786 571 HB3 ASN 75 2HB ASN 75 14.001 1.381 -2.484 572 HD21 ASN 75 1HD2 ASN 75 14.447 -1.837 -2.762 573 HD22 ASN 75 2HD2 ASN 75 12.849 -2.324 -3.202 574 H GLY 76 H GLY 76 12.271 1.347 -5.115 575 HA2 GLY 76 1HA GLY 76 11.914 4.213 -4.704 576 HA3 GLY 76 2HA GLY 76 11.659 3.619 -6.338 577 H VAL 77 H VAL 77 9.826 4.828 -4.289 578 HA VAL 77 HA VAL 77 7.992 2.685 -3.641 579 HB VAL 77 HB VAL 77 7.670 5.671 -3.306 580 HG11 VAL 77 1HG1 VAL 77 5.505 4.780 -3.289 581 HG12 VAL 77 2HG1 VAL 77 6.013 3.328 -2.424 582 HG13 VAL 77 3HG1 VAL 77 5.950 4.878 -1.586 583 HG21 VAL 77 1HG2 VAL 77 8.485 3.556 -1.314 584 HG22 VAL 77 2HG2 VAL 77 9.541 4.786 -2.009 585 HG23 VAL 77 3HG2 VAL 77 8.210 5.261 -0.955 586 H ARG 78 H ARG 78 5.744 2.706 -4.307 587 HA ARG 78 HA ARG 78 5.437 3.712 -7.056 588 HB2 ARG 78 1HB ARG 78 5.306 1.159 -6.361 589 HB3 ARG 78 2HB ARG 78 3.654 1.594 -5.943 590 HG2 ARG 78 1HG ARG 78 3.220 2.310 -8.200 591 HG3 ARG 78 2HG ARG 78 4.906 2.038 -8.644 592 HD2 ARG 78 1HD ARG 78 4.009 0.084 -9.396 593 HD3 ARG 78 2HD ARG 78 4.370 -0.390 -7.737 594 HE ARG 78 HE ARG 78 1.786 0.660 -7.786 595 HH11 ARG 78 1HH1 ARG 78 3.540 -2.071 -9.045 596 HH12 ARG 78 2HH1 ARG 78 2.158 -3.115 -9.067 597 HH21 ARG 78 1HH2 ARG 78 -0.041 -0.704 -7.810 598 HH22 ARG 78 2HH2 ARG 78 0.121 -2.336 -8.366 599 H PHE 79 H PHE 79 3.453 4.633 -7.696 600 HA PHE 79 HA PHE 79 1.567 5.315 -5.561 601 HB2 PHE 79 1HB PHE 79 2.929 7.296 -7.391 602 HB3 PHE 79 2HB PHE 79 1.500 7.675 -6.435 603 HD1 PHE 79 HD2 PHE 79 4.983 6.416 -6.099 604 HD2 PHE 79 HD1 PHE 79 1.736 8.481 -4.282 605 HE1 PHE 79 HE2 PHE 79 6.421 6.986 -4.186 606 HE2 PHE 79 HE1 PHE 79 3.168 9.056 -2.366 607 HZ PHE 79 HZ PHE 79 5.514 8.307 -2.315 608 H LYS 80 H LYS 80 -0.225 4.352 -6.289 609 HA LYS 80 HA LYS 80 -0.992 4.797 -9.100 610 HB2 LYS 80 1HB LYS 80 -0.565 2.391 -8.074 611 HB3 LYS 80 2HB LYS 80 -2.208 2.602 -7.482 612 HG2 LYS 80 1HG LYS 80 -3.045 2.858 -9.711 613 HG3 LYS 80 2HG LYS 80 -1.408 2.869 -10.372 614 HD2 LYS 80 1HD LYS 80 -1.963 0.686 -10.758 615 HD3 LYS 80 2HD LYS 80 -1.280 0.533 -9.137 616 HE2 LYS 80 1HE LYS 80 -3.348 -0.685 -9.224 617 HE3 LYS 80 2HE LYS 80 -3.572 0.739 -8.210 618 HZ1 LYS 80 1HZ LYS 80 -5.376 0.210 -9.894 619 HZ2 LYS 80 2HZ LYS 80 -4.294 0.748 -11.077 620 HZ3 LYS 80 3HZ LYS 80 -4.808 1.804 -9.859 621 H ARG 81 H ARG 81 -2.548 6.256 -9.304 622 HA ARG 81 HA ARG 81 -4.209 7.032 -7.100 623 HB2 ARG 81 1HB ARG 81 -3.448 8.675 -8.748 624 HB3 ARG 81 2HB ARG 81 -4.315 7.819 -10.017 625 HG2 ARG 81 1HG ARG 81 -6.363 8.244 -8.393 626 HG3 ARG 81 2HG ARG 81 -5.342 9.586 -7.873 627 HD2 ARG 81 1HD ARG 81 -6.832 10.318 -9.633 628 HD3 ARG 81 2HD ARG 81 -5.166 10.330 -10.211 629 HE ARG 81 HE ARG 81 -6.052 7.909 -10.998 630 HH11 ARG 81 1HH1 ARG 81 -7.328 11.128 -11.355 631 HH12 ARG 81 2HH1 ARG 81 -8.117 10.789 -12.860 632 HH21 ARG 81 1HH2 ARG 81 -7.086 7.450 -12.978 633 HH22 ARG 81 2HH2 ARG 81 -7.980 8.697 -13.782 634 H ILE 82 H ILE 82 -5.942 5.947 -6.468 635 HA ILE 82 HA ILE 82 -7.285 4.124 -8.288 636 HB ILE 82 HB ILE 82 -7.738 4.677 -5.354 637 HG12 ILE 82 1HG1 ILE 82 -5.610 3.566 -5.824 638 HG13 ILE 82 2HG1 ILE 82 -6.726 2.452 -5.043 639 HG21 ILE 82 1HG2 ILE 82 -8.910 2.285 -5.810 640 HG22 ILE 82 2HG2 ILE 82 -9.773 3.823 -5.793 641 HG23 ILE 82 3HG2 ILE 82 -9.261 3.116 -7.326 642 HD11 ILE 82 1HD1 ILE 82 -7.189 2.046 -7.726 643 HD12 ILE 82 2HD1 ILE 82 -5.444 2.290 -7.632 644 HD13 ILE 82 3HD1 ILE 82 -6.212 1.031 -6.665 645 H SER 83 H SER 83 -8.290 6.764 -6.107 646 HA SER 83 HA SER 83 -10.484 7.344 -7.986 647 HB2 SER 83 1HB SER 83 -11.868 8.005 -6.035 648 HB3 SER 83 2HB SER 83 -11.419 6.300 -5.992 649 HG SER 83 HG SER 83 -9.663 6.977 -4.577 650 H GLY 84 H GLY 84 -11.460 9.634 -7.212 651 HA2 GLY 84 1HA GLY 84 -11.105 11.899 -6.901 652 HA3 GLY 84 2HA GLY 84 -9.480 11.528 -6.343 653 H THR 85 H THR 85 -9.890 13.721 -7.908 654 HA THR 85 HA THR 85 -9.252 13.010 -10.658 655 HB THR 85 HB THR 85 -10.829 14.890 -10.121 656 HG1 THR 85 HG1 THR 85 -10.063 16.100 -11.823 657 HG21 THR 85 1HG2 THR 85 -9.486 15.764 -8.196 658 HG22 THR 85 2HG2 THR 85 -9.972 16.997 -9.360 659 HG23 THR 85 3HG2 THR 85 -8.319 16.384 -9.364 660 H SER 86 H SER 86 -7.537 14.748 -11.590 661 HA SER 86 HA SER 86 -5.030 13.856 -10.764 662 HB2 SER 86 1HB SER 86 -4.124 15.702 -12.167 663 HB3 SER 86 2HB SER 86 -5.381 14.776 -12.988 664 HG SER 86 HG SER 86 -6.841 16.491 -12.173 665 H ILE 87 H ILE 87 -6.572 17.012 -10.168 666 HA ILE 87 HA ILE 87 -4.545 18.107 -8.591 667 HB ILE 87 HB ILE 87 -7.508 18.619 -8.670 668 HG12 ILE 87 1HG1 ILE 87 -5.380 20.603 -9.349 669 HG13 ILE 87 2HG1 ILE 87 -5.698 19.293 -10.481 670 HG21 ILE 87 1HG2 ILE 87 -5.431 19.894 -6.912 671 HG22 ILE 87 2HG2 ILE 87 -6.945 20.695 -7.328 672 HG23 ILE 87 3HG2 ILE 87 -6.969 19.170 -6.443 673 HD11 ILE 87 1HD1 ILE 87 -8.150 20.023 -10.319 674 HD12 ILE 87 2HD1 ILE 87 -7.508 21.506 -9.611 675 HD13 ILE 87 3HD1 ILE 87 -7.032 21.029 -11.240 676 H ALA 88 H ALA 88 -7.660 16.883 -7.354 677 HA ALA 88 HA ALA 88 -7.039 16.803 -4.683 678 HB1 ALA 88 1HB ALA 88 -8.803 14.941 -6.263 679 HB2 ALA 88 2HB ALA 88 -8.752 14.998 -4.500 680 HB3 ALA 88 3HB ALA 88 -9.281 16.411 -5.414 681 H PHE 89 H PHE 89 -5.959 14.675 -7.198 682 HA PHE 89 HA PHE 89 -5.139 12.530 -5.503 683 HB2 PHE 89 1HB PHE 89 -5.518 11.948 -7.760 684 HB3 PHE 89 2HB PHE 89 -4.529 13.278 -8.355 685 HD1 PHE 89 HD1 PHE 89 -3.691 10.830 -5.701 686 HD2 PHE 89 HD2 PHE 89 -2.939 12.187 -9.664 687 HE1 PHE 89 HE1 PHE 89 -1.755 9.319 -5.847 688 HE2 PHE 89 HE2 PHE 89 -1.003 10.677 -9.817 689 HZ PHE 89 HZ PHE 89 -0.409 9.240 -7.907 690 H LYS 90 H LYS 90 -3.088 14.645 -7.506 691 HA LYS 90 HA LYS 90 -0.704 14.135 -6.189 692 HB2 LYS 90 1HB LYS 90 -1.034 15.349 -8.388 693 HB3 LYS 90 2HB LYS 90 -1.419 16.784 -7.447 694 HG2 LYS 90 1HG LYS 90 1.126 15.371 -6.861 695 HG3 LYS 90 2HG LYS 90 1.015 16.320 -8.345 696 HD2 LYS 90 1HD LYS 90 0.113 17.521 -5.764 697 HD3 LYS 90 2HD LYS 90 1.840 17.426 -6.119 698 HE2 LYS 90 1HE LYS 90 -0.148 18.607 -8.041 699 HE3 LYS 90 2HE LYS 90 0.645 19.566 -6.792 700 HZ1 LYS 90 1HZ LYS 90 1.891 19.791 -8.781 701 HZ2 LYS 90 2HZ LYS 90 1.936 18.120 -9.037 702 HZ3 LYS 90 3HZ LYS 90 2.796 18.801 -7.750 703 H ASN 91 H ASN 91 -3.309 16.283 -5.331 704 HA ASN 91 HA ASN 91 -2.118 18.061 -3.611 705 HB2 ASN 91 1HB ASN 91 -4.806 16.790 -3.738 706 HB3 ASN 91 2HB ASN 91 -4.386 17.645 -2.257 707 HD21 ASN 91 1HD2 ASN 91 -6.296 18.896 -3.101 708 HD22 ASN 91 2HD2 ASN 91 -5.950 20.241 -4.128 709 H ILE 92 H ILE 92 -3.232 14.772 -2.858 710 HA ILE 92 HA ILE 92 -1.986 14.939 -0.222 711 HB ILE 92 HB ILE 92 -4.137 13.961 -0.125 712 HG12 ILE 92 1HG1 ILE 92 -3.689 11.701 0.704 713 HG13 ILE 92 2HG1 ILE 92 -2.138 11.688 -0.128 714 HG21 ILE 92 1HG2 ILE 92 -4.681 13.392 -2.312 715 HG22 ILE 92 2HG2 ILE 92 -3.243 12.393 -2.513 716 HG23 ILE 92 3HG2 ILE 92 -4.575 11.827 -1.505 717 HD11 ILE 92 1HD1 ILE 92 -2.616 12.449 2.485 718 HD12 ILE 92 2HD1 ILE 92 -1.141 12.723 1.557 719 HD13 ILE 92 3HD1 ILE 92 -2.386 13.971 1.623 720 H ALA 93 H ALA 93 -1.339 13.759 -3.358 721 HA ALA 93 HA ALA 93 0.347 11.574 -2.703 722 HB1 ALA 93 1HB ALA 93 -0.747 12.322 -4.981 723 HB2 ALA 93 2HB ALA 93 0.802 13.141 -5.189 724 HB3 ALA 93 3HB ALA 93 0.753 11.395 -4.945 725 H SER 94 H SER 94 0.916 15.019 -3.203 726 HA SER 94 HA SER 94 3.734 14.923 -3.194 727 HB2 SER 94 1HB SER 94 2.128 16.864 -3.850 728 HB3 SER 94 2HB SER 94 2.196 17.280 -2.137 729 HG SER 94 HG SER 94 3.842 18.390 -3.046 730 H LYS 95 H LYS 95 1.359 15.306 -0.608 731 HA LYS 95 HA LYS 95 3.053 15.934 1.499 732 HB2 LYS 95 1HB LYS 95 0.600 14.173 1.634 733 HB3 LYS 95 2HB LYS 95 1.321 15.060 2.970 734 HG2 LYS 95 1HG LYS 95 0.343 16.490 0.530 735 HG3 LYS 95 2HG LYS 95 -0.766 16.025 1.823 736 HD2 LYS 95 1HD LYS 95 0.407 17.348 3.414 737 HD3 LYS 95 2HD LYS 95 1.747 17.617 2.298 738 HE2 LYS 95 1HE LYS 95 0.031 18.749 0.785 739 HE3 LYS 95 2HE LYS 95 -1.038 18.741 2.188 740 HZ1 LYS 95 1HZ LYS 95 0.151 20.335 3.215 741 HZ2 LYS 95 2HZ LYS 95 0.631 20.726 1.641 742 HZ3 LYS 95 3HZ LYS 95 1.639 19.788 2.623 743 H ILE 96 H ILE 96 2.137 12.752 0.232 744 HA ILE 96 HA ILE 96 3.627 11.278 2.158 745 HB ILE 96 HB ILE 96 2.816 10.315 -0.582 746 HG12 ILE 96 1HG1 ILE 96 0.908 11.355 0.661 747 HG13 ILE 96 2HG1 ILE 96 0.699 9.636 0.348 748 HG21 ILE 96 1HG2 ILE 96 4.300 9.094 1.380 749 HG22 ILE 96 2HG2 ILE 96 2.674 8.481 1.677 750 HG23 ILE 96 3HG2 ILE 96 3.419 8.272 0.092 751 HD11 ILE 96 1HD1 ILE 96 1.976 10.149 2.900 752 HD12 ILE 96 2HD1 ILE 96 0.387 10.902 2.765 753 HD13 ILE 96 3HD1 ILE 96 0.564 9.166 2.512 754 H ALA 97 H ALA 97 4.207 11.888 -1.310 755 HA ALA 97 HA ALA 97 6.707 10.731 -1.522 756 HB1 ALA 97 1HB ALA 97 6.321 11.365 -3.612 757 HB2 ALA 97 2HB ALA 97 5.097 12.520 -3.084 758 HB3 ALA 97 3HB ALA 97 6.792 13.003 -3.159 759 H ASN 98 H ASN 98 5.801 13.645 0.079 760 HA ASN 98 HA ASN 98 8.546 14.622 0.199 761 HB2 ASN 98 1HB ASN 98 6.591 16.173 -0.165 762 HB3 ASN 98 2HB ASN 98 6.090 15.823 1.487 763 HD21 ASN 98 1HD2 ASN 98 7.867 17.848 -0.453 764 HD22 ASN 98 2HD2 ASN 98 8.828 18.613 0.762 765 H GLU 99 H GLU 99 6.018 14.344 2.693 766 HA GLU 99 HA GLU 99 7.478 14.333 4.943 767 HB2 GLU 99 1HB GLU 99 5.081 12.690 4.200 768 HB3 GLU 99 2HB GLU 99 5.818 12.508 5.786 769 HG2 GLU 99 1HG GLU 99 5.413 14.807 6.310 770 HG3 GLU 99 2HG GLU 99 4.857 15.129 4.668 771 H LEU 100 H LEU 100 7.404 11.773 2.581 772 HA LEU 100 HA LEU 100 8.545 9.711 4.107 773 HB2 LEU 100 1HB LEU 100 8.373 10.326 1.194 774 HB3 LEU 100 2HB LEU 100 9.429 9.023 1.734 775 HG LEU 100 HG LEU 100 6.440 9.204 2.082 776 HD11 LEU 100 1HD1 LEU 100 7.975 8.294 -0.041 777 HD12 LEU 100 2HD1 LEU 100 6.276 7.935 0.266 778 HD13 LEU 100 3HD1 LEU 100 7.527 6.832 0.838 779 HD21 LEU 100 1HD2 LEU 100 6.899 6.773 2.927 780 HD22 LEU 100 2HD2 LEU 100 7.032 8.140 4.033 781 HD23 LEU 100 3HD2 LEU 100 8.486 7.427 3.331 782 H LYS 101 H LYS 101 10.357 10.007 5.247 783 HA LYS 101 HA LYS 101 12.550 11.577 4.157 784 HB2 LYS 101 1HB LYS 101 12.001 10.330 6.839 785 HB3 LYS 101 2HB LYS 101 13.591 10.963 6.436 786 HG2 LYS 101 1HG LYS 101 12.747 13.165 6.186 787 HG3 LYS 101 2HG LYS 101 11.077 12.601 6.258 788 HD2 LYS 101 1HD LYS 101 12.857 11.997 8.562 789 HD3 LYS 101 2HD LYS 101 12.291 13.657 8.365 790 HE2 LYS 101 1HE LYS 101 9.961 12.736 8.208 791 HE3 LYS 101 2HE LYS 101 10.622 11.165 8.659 792 HZ1 LYS 101 1HZ LYS 101 10.077 11.930 10.703 793 HZ2 LYS 101 2HZ LYS 101 10.246 13.559 10.283 794 HZ3 LYS 101 3HZ LYS 101 11.617 12.623 10.608 795 H LEU 102 H LEU 102 12.142 9.353 2.627 796 HA LEU 102 HA LEU 102 13.945 7.251 3.479 797 HB2 LEU 102 1HB LEU 102 12.718 7.534 0.755 798 HB3 LEU 102 2HB LEU 102 13.261 6.066 1.566 799 HG LEU 102 HG LEU 102 10.913 7.676 2.542 800 HD11 LEU 102 1HD1 LEU 102 11.066 5.615 0.386 801 HD12 LEU 102 2HD1 LEU 102 10.137 7.112 0.444 802 HD13 LEU 102 3HD1 LEU 102 9.633 5.723 1.407 803 HD21 LEU 102 1HD2 LEU 102 10.413 5.833 3.866 804 HD22 LEU 102 2HD2 LEU 102 12.171 5.936 3.969 805 HD23 LEU 102 3HD2 LEU 102 11.417 4.746 2.907 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 11.482 15.980 -27.376 2 HA2 GLY 1 1HA GLY 1 12.954 14.125 -28.213 3 HA3 GLY 1 2HA GLY 1 12.498 13.278 -26.742 4 H SER 2 H SER 2 9.763 13.934 -26.690 5 HA SER 2 HA SER 2 8.799 12.543 -29.104 6 HB2 SER 2 1HB SER 2 8.030 12.194 -26.213 7 HB3 SER 2 2HB SER 2 6.952 11.694 -27.516 8 HG SER 2 HG SER 2 9.061 10.602 -28.270 9 H SER 3 H SER 3 6.697 13.079 -29.851 10 HA SER 3 HA SER 3 6.096 15.741 -30.054 11 HB2 SER 3 1HB SER 3 5.094 14.062 -31.514 12 HB3 SER 3 2HB SER 3 4.156 13.418 -30.166 13 HG SER 3 HG SER 3 3.740 15.679 -31.697 14 H GLY 4 H GLY 4 4.574 17.141 -29.105 15 HA2 GLY 4 1HA GLY 4 4.433 17.063 -26.303 16 HA3 GLY 4 2HA GLY 4 3.495 18.130 -27.338 17 H SER 5 H SER 5 3.479 15.286 -25.409 18 HA SER 5 HA SER 5 0.708 14.697 -26.194 19 HB2 SER 5 1HB SER 5 1.004 12.504 -25.343 20 HB3 SER 5 2HB SER 5 2.499 12.868 -26.206 21 HG SER 5 HG SER 5 2.037 12.591 -23.472 22 H SER 6 H SER 6 -0.948 14.864 -24.773 23 HA SER 6 HA SER 6 -0.573 16.466 -22.447 24 HB2 SER 6 1HB SER 6 -3.024 14.940 -23.362 25 HB3 SER 6 2HB SER 6 -2.997 16.199 -22.127 26 HG SER 6 HG SER 6 -3.525 17.292 -23.914 27 H GLY 7 H GLY 7 -1.773 13.127 -22.856 28 HA2 GLY 7 1HA GLY 7 -1.636 12.577 -20.049 29 HA3 GLY 7 2HA GLY 7 -1.944 11.409 -21.325 30 H ARG 8 H ARG 8 -0.303 11.005 -19.016 31 HA ARG 8 HA ARG 8 2.385 10.868 -20.202 32 HB2 ARG 8 1HB ARG 8 1.386 11.066 -17.393 33 HB3 ARG 8 2HB ARG 8 2.922 10.263 -17.688 34 HG2 ARG 8 1HG ARG 8 3.466 12.486 -17.198 35 HG3 ARG 8 2HG ARG 8 3.606 12.352 -18.952 36 HD2 ARG 8 1HD ARG 8 1.181 13.185 -19.011 37 HD3 ARG 8 2HD ARG 8 1.443 13.657 -17.332 38 HE ARG 8 HE ARG 8 2.379 15.013 -19.644 39 HH11 ARG 8 1HH1 ARG 8 3.245 14.208 -16.369 40 HH12 ARG 8 2HH1 ARG 8 4.271 15.589 -16.163 41 HH21 ARG 8 1HH2 ARG 8 3.727 16.835 -19.384 42 HH22 ARG 8 2HH2 ARG 8 4.544 17.082 -17.878 43 H PHE 9 H PHE 9 3.081 8.965 -20.896 44 HA PHE 9 HA PHE 9 1.664 6.545 -20.040 45 HB2 PHE 9 1HB PHE 9 3.447 7.093 -22.418 46 HB3 PHE 9 2HB PHE 9 2.807 5.501 -22.024 47 HD1 PHE 9 HD2 PHE 9 1.549 8.991 -22.447 48 HD2 PHE 9 HD1 PHE 9 0.927 4.839 -23.146 49 HE1 PHE 9 HE2 PHE 9 -0.505 9.513 -23.695 50 HE2 PHE 9 HE1 PHE 9 -1.128 5.354 -24.396 51 HZ PHE 9 HZ PHE 9 -1.848 7.694 -24.671 52 H THR 10 H THR 10 3.292 7.444 -18.097 53 HA THR 10 HA THR 10 5.389 5.404 -18.058 54 HB THR 10 HB THR 10 5.926 8.247 -17.186 55 HG1 THR 10 HG1 THR 10 7.080 6.943 -19.426 56 HG21 THR 10 1HG2 THR 10 7.388 5.687 -17.000 57 HG22 THR 10 2HG2 THR 10 7.465 7.116 -15.968 58 HG23 THR 10 3HG2 THR 10 8.338 7.086 -17.500 59 H TRP 11 H TRP 11 6.083 4.813 -15.929 60 HA TRP 11 HA TRP 11 4.222 5.649 -13.802 61 HB2 TRP 11 1HB TRP 11 3.782 3.337 -14.675 62 HB3 TRP 11 2HB TRP 11 5.393 2.880 -14.128 63 HD1 TRP 11 HD1 TRP 11 4.892 4.786 -11.365 64 HE1 TRP 11 HE1 TRP 11 3.587 3.650 -9.460 65 HE3 TRP 11 HE3 TRP 11 2.677 1.027 -14.029 66 HZ2 TRP 11 HZ2 TRP 11 1.849 1.451 -9.130 67 HZ3 TRP 11 HZ3 TRP 11 1.208 -0.551 -12.843 68 HH2 TRP 11 HH2 TRP 11 0.804 -0.342 -10.444 69 H SER 12 H SER 12 5.814 7.198 -13.152 70 HA SER 12 HA SER 12 7.589 6.200 -11.162 71 HB2 SER 12 1HB SER 12 8.973 5.765 -13.167 72 HB3 SER 12 2HB SER 12 8.865 7.472 -13.598 73 HG SER 12 HG SER 12 9.885 7.920 -11.560 74 H MET 13 H MET 13 8.738 7.960 -10.033 75 HA MET 13 HA MET 13 7.625 10.624 -10.540 76 HB2 MET 13 1HB MET 13 6.982 10.944 -8.260 77 HB3 MET 13 2HB MET 13 6.256 9.437 -8.802 78 HG2 MET 13 1HG MET 13 8.858 9.498 -7.316 79 HG3 MET 13 2HG MET 13 7.303 9.479 -6.487 80 HE1 MET 13 1HE MET 13 9.873 6.726 -6.725 81 HE2 MET 13 2HE MET 13 8.969 7.669 -5.539 82 HE3 MET 13 3HE MET 13 8.546 5.982 -5.834 83 H LYS 14 H LYS 14 8.706 12.222 -8.885 84 HA LYS 14 HA LYS 14 11.571 11.882 -9.241 85 HB2 LYS 14 1HB LYS 14 9.795 14.187 -8.502 86 HB3 LYS 14 2HB LYS 14 11.530 14.280 -8.228 87 HG2 LYS 14 1HG LYS 14 10.346 13.614 -10.907 88 HG3 LYS 14 2HG LYS 14 10.675 15.268 -10.386 89 HD2 LYS 14 1HD LYS 14 12.788 13.131 -10.329 90 HD3 LYS 14 2HD LYS 14 12.469 14.090 -11.776 91 HE2 LYS 14 1HE LYS 14 13.025 16.115 -10.645 92 HE3 LYS 14 2HE LYS 14 13.084 15.296 -9.085 93 HZ1 LYS 14 1HZ LYS 14 14.872 14.328 -11.181 94 HZ2 LYS 14 2HZ LYS 14 15.119 14.428 -9.511 95 HZ3 LYS 14 3HZ LYS 14 15.249 15.817 -10.470 96 H THR 15 H THR 15 10.990 10.036 -7.500 97 HA THR 15 HA THR 15 12.152 11.020 -5.023 98 HB THR 15 HB THR 15 9.521 9.530 -5.058 99 HG1 THR 15 HG1 THR 15 10.296 12.179 -4.504 100 HG21 THR 15 1HG2 THR 15 11.531 10.022 -2.912 101 HG22 THR 15 2HG2 THR 15 10.516 8.609 -3.203 102 HG23 THR 15 3HG2 THR 15 9.819 10.065 -2.494 103 H THR 16 H THR 16 13.604 9.625 -4.236 104 HA THR 16 HA THR 16 13.384 6.783 -4.912 105 HB THR 16 HB THR 16 15.871 6.746 -5.367 106 HG1 THR 16 HG1 THR 16 16.827 8.724 -5.920 107 HG21 THR 16 1HG2 THR 16 13.966 6.765 -7.102 108 HG22 THR 16 2HG2 THR 16 15.598 7.139 -7.658 109 HG23 THR 16 3HG2 THR 16 14.438 8.440 -7.390 110 H SER 17 H SER 17 14.662 5.389 -3.552 111 HA SER 17 HA SER 17 15.654 6.631 -1.084 112 HB2 SER 17 1HB SER 17 14.468 5.071 0.310 113 HB3 SER 17 2HB SER 17 13.292 5.816 -0.773 114 HG SER 17 HG SER 17 14.038 3.208 -0.549 115 H SER 18 H SER 18 17.494 5.766 -0.320 116 HA SER 18 HA SER 18 18.526 3.377 -1.696 117 HB2 SER 18 1HB SER 18 20.774 4.216 -1.140 118 HB3 SER 18 2HB SER 18 19.860 5.406 -2.067 119 HG SER 18 HG SER 18 19.283 6.227 0.153 120 H MET 19 H MET 19 17.418 1.972 -0.226 121 HA MET 19 HA MET 19 19.013 1.134 1.944 122 HB2 MET 19 1HB MET 19 17.367 1.547 3.773 123 HB3 MET 19 2HB MET 19 18.111 3.011 3.143 124 HG2 MET 19 1HG MET 19 15.981 3.053 1.614 125 HG3 MET 19 2HG MET 19 15.312 2.045 2.894 126 HE1 MET 19 1HE MET 19 14.873 3.567 5.755 127 HE2 MET 19 2HE MET 19 13.636 4.345 4.767 128 HE3 MET 19 3HE MET 19 14.128 2.686 4.420 129 H ASP 20 H ASP 20 17.923 -0.655 3.199 130 HA ASP 20 HA ASP 20 16.947 -2.605 1.498 131 HB2 ASP 20 1HB ASP 20 16.751 -2.289 4.489 132 HB3 ASP 20 2HB ASP 20 16.116 -3.708 3.661 133 HA PRO 21 HA PRO 21 12.720 -1.600 0.804 134 HB2 PRO 21 1HB PRO 21 11.783 -4.072 0.188 135 HB3 PRO 21 2HB PRO 21 12.795 -3.128 -0.910 136 HG2 PRO 21 1HG PRO 21 13.568 -5.355 0.934 137 HG3 PRO 21 2HG PRO 21 14.076 -5.060 -0.740 138 HD2 PRO 21 1HD PRO 21 15.628 -4.428 1.387 139 HD3 PRO 21 2HD PRO 21 15.644 -3.489 -0.119 140 H SER 22 H SER 22 13.766 -3.687 3.304 141 HA SER 22 HA SER 22 11.212 -4.392 4.359 142 HB2 SER 22 1HB SER 22 13.437 -5.572 4.796 143 HB3 SER 22 2HB SER 22 13.787 -4.267 5.929 144 HG SER 22 HG SER 22 11.515 -4.929 6.723 145 H ASP 23 H ASP 23 13.645 -1.965 5.273 146 HA ASP 23 HA ASP 23 12.144 -0.840 7.386 147 HB2 ASP 23 1HB ASP 23 14.375 0.314 5.702 148 HB3 ASP 23 2HB ASP 23 13.712 1.103 7.131 149 H MET 24 H MET 24 12.157 -0.324 3.939 150 HA MET 24 HA MET 24 10.939 2.179 3.791 151 HB2 MET 24 1HB MET 24 11.088 -0.193 1.991 152 HB3 MET 24 2HB MET 24 9.927 1.069 1.601 153 HG2 MET 24 1HG MET 24 12.767 1.786 2.166 154 HG3 MET 24 2HG MET 24 12.316 1.134 0.592 155 HE1 MET 24 1HE MET 24 10.725 3.846 -1.273 156 HE2 MET 24 2HE MET 24 11.377 2.211 -1.170 157 HE3 MET 24 3HE MET 24 9.746 2.549 -0.589 158 H MET 25 H MET 25 9.466 -1.050 3.958 159 HA MET 25 HA MET 25 6.794 -0.243 3.770 160 HB2 MET 25 1HB MET 25 8.171 -2.644 4.911 161 HB3 MET 25 2HB MET 25 6.445 -2.431 5.173 162 HG2 MET 25 1HG MET 25 6.474 -2.045 2.555 163 HG3 MET 25 2HG MET 25 7.933 -3.025 2.681 164 HE1 MET 25 1HE MET 25 3.602 -4.343 3.268 165 HE2 MET 25 2HE MET 25 4.217 -2.774 3.788 166 HE3 MET 25 3HE MET 25 4.205 -3.192 2.074 167 H ARG 26 H ARG 26 8.963 -0.463 6.534 168 HA ARG 26 HA ARG 26 6.995 -0.027 8.527 169 HB2 ARG 26 1HB ARG 26 9.988 0.366 8.516 170 HB3 ARG 26 2HB ARG 26 8.992 0.620 9.943 171 HG2 ARG 26 1HG ARG 26 8.172 -1.815 9.416 172 HG3 ARG 26 2HG ARG 26 9.710 -1.909 8.554 173 HD2 ARG 26 1HD ARG 26 10.783 -1.033 10.682 174 HD3 ARG 26 2HD ARG 26 9.239 -1.352 11.471 175 HE ARG 26 HE ARG 26 9.721 -3.590 11.433 176 HH11 ARG 26 1HH1 ARG 26 11.869 -1.919 9.262 177 HH12 ARG 26 2HH1 ARG 26 12.863 -3.308 8.969 178 HH21 ARG 26 1HH2 ARG 26 11.022 -5.425 11.056 179 HH22 ARG 26 2HH2 ARG 26 12.380 -5.301 9.989 180 H GLU 27 H GLU 27 9.291 2.153 6.907 181 HA GLU 27 HA GLU 27 8.469 4.490 8.266 182 HB2 GLU 27 1HB GLU 27 10.615 4.399 7.145 183 HB3 GLU 27 2HB GLU 27 9.832 4.139 5.593 184 HG2 GLU 27 1HG GLU 27 9.216 6.321 5.375 185 HG3 GLU 27 2HG GLU 27 9.133 6.588 7.115 186 H ILE 28 H ILE 28 7.727 3.340 4.974 187 HA ILE 28 HA ILE 28 6.070 5.263 4.049 188 HB ILE 28 HB ILE 28 5.721 2.278 3.819 189 HG12 ILE 28 1HG1 ILE 28 6.530 4.120 1.605 190 HG13 ILE 28 2HG1 ILE 28 7.718 3.690 2.831 191 HG21 ILE 28 1HG2 ILE 28 4.263 2.832 1.848 192 HG22 ILE 28 2HG2 ILE 28 3.556 3.172 3.427 193 HG23 ILE 28 3HG2 ILE 28 4.206 4.488 2.450 194 HD11 ILE 28 1HD1 ILE 28 7.958 2.208 0.979 195 HD12 ILE 28 2HD1 ILE 28 7.273 1.299 2.326 196 HD13 ILE 28 3HD1 ILE 28 6.238 1.823 0.998 197 H ARG 29 H ARG 29 5.082 2.622 6.218 198 HA ARG 29 HA ARG 29 2.383 3.417 6.435 199 HB2 ARG 29 1HB ARG 29 4.193 1.626 8.002 200 HB3 ARG 29 2HB ARG 29 2.637 2.072 8.688 201 HG2 ARG 29 1HG ARG 29 1.482 1.130 6.791 202 HG3 ARG 29 2HG ARG 29 3.019 0.778 5.997 203 HD2 ARG 29 1HD ARG 29 3.478 -0.991 7.367 204 HD3 ARG 29 2HD ARG 29 2.580 -0.313 8.724 205 HE ARG 29 HE ARG 29 0.939 -1.121 6.497 206 HH11 ARG 29 1HH1 ARG 29 2.453 -2.106 9.473 207 HH12 ARG 29 2HH1 ARG 29 1.353 -3.416 9.751 208 HH21 ARG 29 1HH2 ARG 29 -0.515 -2.842 6.851 209 HH22 ARG 29 2HH2 ARG 29 -0.334 -3.835 8.258 210 H LYS 30 H LYS 30 5.104 3.857 8.698 211 HA LYS 30 HA LYS 30 3.932 5.270 10.695 212 HB2 LYS 30 1HB LYS 30 6.263 4.725 10.816 213 HB3 LYS 30 2HB LYS 30 6.628 5.724 9.415 214 HG2 LYS 30 1HG LYS 30 6.163 7.727 10.650 215 HG3 LYS 30 2HG LYS 30 5.592 6.791 12.033 216 HD2 LYS 30 1HD LYS 30 8.388 6.543 10.946 217 HD3 LYS 30 2HD LYS 30 7.949 7.720 12.187 218 HE2 LYS 30 1HE LYS 30 7.444 4.761 12.442 219 HE3 LYS 30 2HE LYS 30 8.901 5.553 13.039 220 HZ1 LYS 30 1HZ LYS 30 6.256 6.551 13.854 221 HZ2 LYS 30 2HZ LYS 30 7.738 6.669 14.661 222 HZ3 LYS 30 3HZ LYS 30 6.912 5.193 14.621 223 H VAL 31 H VAL 31 5.219 6.696 7.694 224 HA VAL 31 HA VAL 31 4.531 9.346 8.207 225 HB VAL 31 HB VAL 31 4.765 7.861 5.593 226 HG11 VAL 31 1HG1 VAL 31 4.198 10.760 6.125 227 HG12 VAL 31 2HG1 VAL 31 4.992 10.226 4.642 228 HG13 VAL 31 3HG1 VAL 31 3.369 9.654 5.030 229 HG21 VAL 31 1HG2 VAL 31 6.917 8.895 5.431 230 HG22 VAL 31 2HG2 VAL 31 6.606 9.888 6.855 231 HG23 VAL 31 3HG2 VAL 31 6.796 8.143 7.022 232 H LEU 32 H LEU 32 2.659 6.789 6.609 233 HA LEU 32 HA LEU 32 0.440 8.336 5.893 234 HB2 LEU 32 1HB LEU 32 0.602 5.415 6.617 235 HB3 LEU 32 2HB LEU 32 -0.792 6.184 5.861 236 HG LEU 32 HG LEU 32 1.899 6.259 4.542 237 HD11 LEU 32 1HD1 LEU 32 1.887 4.093 4.075 238 HD12 LEU 32 2HD1 LEU 32 0.241 4.200 3.453 239 HD13 LEU 32 3HD1 LEU 32 0.517 3.888 5.167 240 HD21 LEU 32 1HD2 LEU 32 0.607 6.544 2.544 241 HD22 LEU 32 2HD2 LEU 32 0.028 7.696 3.748 242 HD23 LEU 32 3HD2 LEU 32 -0.896 6.231 3.413 243 H GLY 33 H GLY 33 0.709 6.106 8.674 244 HA2 GLY 33 1HA GLY 33 -1.614 6.623 9.980 245 HA3 GLY 33 2HA GLY 33 -0.102 6.327 10.825 246 H ALA 34 H ALA 34 1.310 8.625 10.146 247 HA ALA 34 HA ALA 34 0.391 10.445 12.068 248 HB1 ALA 34 1HB ALA 34 2.478 11.151 11.837 249 HB2 ALA 34 2HB ALA 34 2.664 10.166 10.385 250 HB3 ALA 34 3HB ALA 34 2.075 11.823 10.257 251 H ASN 35 H ASN 35 0.067 10.416 8.548 252 HA ASN 35 HA ASN 35 -1.352 12.945 8.548 253 HB2 ASN 35 1HB ASN 35 -0.566 11.002 6.379 254 HB3 ASN 35 2HB ASN 35 -1.597 12.394 6.061 255 HD21 ASN 35 1HD2 ASN 35 1.588 11.280 6.651 256 HD22 ASN 35 2HD2 ASN 35 2.392 12.799 6.475 257 H ASN 36 H ASN 36 -2.403 10.463 9.898 258 HA ASN 36 HA ASN 36 -4.380 9.374 10.198 259 HB2 ASN 36 1HB ASN 36 -5.488 11.771 8.718 260 HB3 ASN 36 2HB ASN 36 -6.413 10.662 9.725 261 HD21 ASN 36 1HD2 ASN 36 -6.383 10.887 11.905 262 HD22 ASN 36 2HD2 ASN 36 -5.578 12.177 12.727 263 H CYS 37 H CYS 37 -2.842 8.788 7.785 264 HA CYS 37 HA CYS 37 -4.812 8.279 5.722 265 HB2 CYS 37 1HB CYS 37 -1.854 8.026 5.964 266 HB3 CYS 37 2HB CYS 37 -2.665 6.994 4.792 267 HG CYS 37 HG CYS 37 -2.358 10.376 4.795 268 H ASP 38 H ASP 38 -5.697 6.338 5.199 269 HA ASP 38 HA ASP 38 -5.395 4.208 7.174 270 HB2 ASP 38 1HB ASP 38 -7.483 4.965 5.183 271 HB3 ASP 38 2HB ASP 38 -7.363 3.272 5.653 272 H TYR 39 H TYR 39 -3.927 2.697 6.785 273 HA TYR 39 HA TYR 39 -3.389 1.932 3.994 274 HB2 TYR 39 1HB TYR 39 -1.238 0.992 4.960 275 HB3 TYR 39 2HB TYR 39 -1.386 2.746 4.977 276 HD1 TYR 39 HD1 TYR 39 -2.300 3.786 7.192 277 HD2 TYR 39 HD2 TYR 39 -0.631 -0.118 6.905 278 HE1 TYR 39 HE1 TYR 39 -1.857 3.804 9.611 279 HE2 TYR 39 HE2 TYR 39 -0.185 -0.111 9.323 280 HH TYR 39 HH TYR 39 -0.101 2.537 11.170 281 H GLU 40 H GLU 40 -3.627 -0.142 3.347 282 HA GLU 40 HA GLU 40 -4.281 -2.159 5.385 283 HB2 GLU 40 1HB GLU 40 -5.837 -1.400 2.940 284 HB3 GLU 40 2HB GLU 40 -5.891 -3.056 3.527 285 HG2 GLU 40 1HG GLU 40 -6.510 -0.696 5.275 286 HG3 GLU 40 2HG GLU 40 -7.732 -1.519 4.308 287 H GLN 41 H GLN 41 -3.348 -4.107 5.107 288 HA GLN 41 HA GLN 41 -1.257 -4.387 3.209 289 HB2 GLN 41 1HB GLN 41 -1.338 -5.432 5.504 290 HB3 GLN 41 2HB GLN 41 -2.502 -6.584 4.863 291 HG2 GLN 41 1HG GLN 41 -0.602 -7.794 4.611 292 HG3 GLN 41 2HG GLN 41 -0.617 -6.957 3.059 293 HE21 GLN 41 1HE2 GLN 41 1.708 -7.593 3.261 294 HE22 GLN 41 2HE2 GLN 41 2.771 -6.467 4.028 295 H ARG 42 H ARG 42 -1.849 -4.447 1.108 296 HA ARG 42 HA ARG 42 -4.082 -6.097 0.254 297 HB2 ARG 42 1HB ARG 42 -2.343 -4.037 -1.021 298 HB3 ARG 42 2HB ARG 42 -3.138 -5.211 -2.062 299 HG2 ARG 42 1HG ARG 42 -4.680 -3.641 -0.030 300 HG3 ARG 42 2HG ARG 42 -4.314 -2.981 -1.626 301 HD2 ARG 42 1HD ARG 42 -5.496 -5.707 -1.450 302 HD3 ARG 42 2HD ARG 42 -6.543 -4.318 -1.157 303 HE ARG 42 HE ARG 42 -5.088 -3.893 -3.523 304 HH11 ARG 42 1HH1 ARG 42 -7.639 -5.899 -2.263 305 HH12 ARG 42 2HH1 ARG 42 -8.408 -6.113 -3.801 306 HH21 ARG 42 1HH2 ARG 42 -6.091 -4.166 -5.553 307 HH22 ARG 42 2HH2 ARG 42 -7.526 -5.127 -5.672 308 H GLU 43 H GLU 43 -0.746 -5.756 -0.966 309 HA GLU 43 HA GLU 43 -0.739 -8.660 -1.456 310 HB2 GLU 43 1HB GLU 43 0.968 -6.586 -2.835 311 HB3 GLU 43 2HB GLU 43 0.801 -8.282 -3.266 312 HG2 GLU 43 1HG GLU 43 -1.448 -7.954 -3.986 313 HG3 GLU 43 2HG GLU 43 -1.466 -6.309 -3.352 314 H ARG 44 H ARG 44 1.824 -9.252 -1.785 315 HA ARG 44 HA ARG 44 2.862 -9.514 0.761 316 HB2 ARG 44 1HB ARG 44 3.515 -10.706 -1.439 317 HB3 ARG 44 2HB ARG 44 4.647 -9.378 -1.653 318 HG2 ARG 44 1HG ARG 44 5.330 -10.050 0.816 319 HG3 ARG 44 2HG ARG 44 4.679 -11.607 0.298 320 HD2 ARG 44 1HD ARG 44 6.234 -11.787 -1.462 321 HD3 ARG 44 2HD ARG 44 6.683 -10.086 -1.344 322 HE ARG 44 HE ARG 44 7.258 -11.512 1.057 323 HH11 ARG 44 1HH1 ARG 44 8.407 -10.875 -2.167 324 HH12 ARG 44 2HH1 ARG 44 10.068 -11.171 -1.775 325 HH21 ARG 44 1HH2 ARG 44 9.442 -11.905 1.586 326 HH22 ARG 44 2HH2 ARG 44 10.656 -11.758 0.361 327 H PHE 45 H PHE 45 3.666 -7.088 -1.702 328 HA PHE 45 HA PHE 45 4.809 -5.424 0.436 329 HB2 PHE 45 1HB PHE 45 6.033 -6.238 -2.154 330 HB3 PHE 45 2HB PHE 45 6.316 -4.590 -1.602 331 HD1 PHE 45 HD2 PHE 45 7.300 -4.261 0.714 332 HD2 PHE 45 HD1 PHE 45 7.262 -8.017 -1.288 333 HE1 PHE 45 HE2 PHE 45 9.095 -5.064 2.193 334 HE2 PHE 45 HE1 PHE 45 9.055 -8.826 0.189 335 HZ PHE 45 HZ PHE 45 9.975 -7.349 1.931 336 H LEU 46 H LEU 46 2.162 -5.399 -0.714 337 HA LEU 46 HA LEU 46 2.205 -2.731 -1.962 338 HB2 LEU 46 1HB LEU 46 1.476 -4.734 -3.399 339 HB3 LEU 46 2HB LEU 46 0.017 -4.733 -2.410 340 HG LEU 46 HG LEU 46 -0.018 -2.180 -3.173 341 HD11 LEU 46 1HD1 LEU 46 1.502 -1.709 -4.720 342 HD12 LEU 46 2HD1 LEU 46 0.638 -2.794 -5.808 343 HD13 LEU 46 3HD1 LEU 46 1.987 -3.400 -4.848 344 HD21 LEU 46 1HD2 LEU 46 -1.782 -2.759 -4.509 345 HD22 LEU 46 2HD2 LEU 46 -1.598 -4.249 -3.584 346 HD23 LEU 46 3HD2 LEU 46 -0.939 -4.137 -5.217 347 H LEU 47 H LEU 47 0.991 -1.188 -1.031 348 HA LEU 47 HA LEU 47 -0.876 -2.009 1.095 349 HB2 LEU 47 1HB LEU 47 0.990 0.356 1.058 350 HB3 LEU 47 2HB LEU 47 -0.260 0.088 2.271 351 HG LEU 47 HG LEU 47 2.143 -1.675 1.792 352 HD11 LEU 47 1HD1 LEU 47 1.847 0.746 3.250 353 HD12 LEU 47 2HD1 LEU 47 3.252 -0.313 3.139 354 HD13 LEU 47 3HD1 LEU 47 2.047 -0.577 4.399 355 HD21 LEU 47 1HD2 LEU 47 1.261 -2.479 4.145 356 HD22 LEU 47 2HD2 LEU 47 0.641 -3.170 2.645 357 HD23 LEU 47 3HD2 LEU 47 -0.283 -1.929 3.493 358 H PHE 48 H PHE 48 -2.770 -0.824 1.323 359 HA PHE 48 HA PHE 48 -3.457 0.822 -1.009 360 HB2 PHE 48 1HB PHE 48 -4.825 -1.229 -0.491 361 HB3 PHE 48 2HB PHE 48 -5.349 -0.430 0.987 362 HD1 PHE 48 HD2 PHE 48 -5.008 0.556 -2.600 363 HD2 PHE 48 HD1 PHE 48 -7.478 0.391 0.863 364 HE1 PHE 48 HE2 PHE 48 -6.821 1.658 -3.845 365 HE2 PHE 48 HE1 PHE 48 -9.295 1.492 -0.378 366 HZ PHE 48 HZ PHE 48 -8.968 2.128 -2.734 367 H CYS 49 H CYS 49 -2.898 2.877 -0.511 368 HA CYS 49 HA CYS 49 -3.361 3.986 2.107 369 HB2 CYS 49 1HB CYS 49 -2.556 5.425 -0.428 370 HB3 CYS 49 2HB CYS 49 -2.387 6.016 1.220 371 HG CYS 49 HG CYS 49 -0.589 3.555 -0.312 372 H VAL 50 H VAL 50 -4.761 5.719 2.603 373 HA VAL 50 HA VAL 50 -6.763 6.517 0.663 374 HB VAL 50 HB VAL 50 -7.459 4.892 3.102 375 HG11 VAL 50 1HG1 VAL 50 -9.850 5.610 1.932 376 HG12 VAL 50 2HG1 VAL 50 -9.190 6.263 3.432 377 HG13 VAL 50 3HG1 VAL 50 -8.918 7.106 1.907 378 HG21 VAL 50 1HG2 VAL 50 -7.113 3.557 1.157 379 HG22 VAL 50 2HG2 VAL 50 -8.854 3.671 1.413 380 HG23 VAL 50 3HG2 VAL 50 -8.082 4.647 0.164 381 H HIS 51 H HIS 51 -7.328 8.575 0.978 382 HA HIS 51 HA HIS 51 -7.356 9.727 3.639 383 HB2 HIS 51 1HB HIS 51 -4.983 9.917 2.589 384 HB3 HIS 51 2HB HIS 51 -5.713 11.152 1.567 385 HD1 HIS 51 HD1 HIS 51 -6.338 13.388 2.674 386 HD2 HIS 51 HD2 HIS 51 -4.671 10.625 5.290 387 HE1 HIS 51 HE1 HIS 51 -5.798 14.681 4.762 388 HE2 HIS 51 HE2 HIS 51 -4.712 13.007 6.299 389 H GLY 52 H GLY 52 -8.483 11.722 3.759 390 HA2 GLY 52 1HA GLY 52 -10.216 12.180 1.420 391 HA3 GLY 52 2HA GLY 52 -10.649 12.539 3.085 392 H ASP 53 H ASP 53 -8.442 13.935 3.950 393 HA ASP 53 HA ASP 53 -7.834 16.138 4.109 394 HB2 ASP 53 1HB ASP 53 -6.103 15.344 2.630 395 HB3 ASP 53 2HB ASP 53 -7.161 15.505 1.231 396 H GLY 54 H GLY 54 -10.569 15.946 3.794 397 HA2 GLY 54 1HA GLY 54 -11.476 18.425 3.326 398 HA3 GLY 54 2HA GLY 54 -11.394 17.775 1.695 399 H HIS 55 H HIS 55 -13.198 16.889 0.959 400 HA HIS 55 HA HIS 55 -15.257 16.096 2.891 401 HB2 HIS 55 1HB HIS 55 -15.300 17.129 0.101 402 HB3 HIS 55 2HB HIS 55 -16.585 16.020 0.571 403 HD1 HIS 55 HD1 HIS 55 -17.315 16.922 3.325 404 HD2 HIS 55 HD2 HIS 55 -16.383 19.594 0.284 405 HE1 HIS 55 HE1 HIS 55 -18.393 19.095 3.986 406 HE2 HIS 55 HE2 HIS 55 -17.887 20.674 2.090 407 H ALA 56 H ALA 56 -16.556 14.178 2.409 408 HA ALA 56 HA ALA 56 -14.924 11.908 1.948 409 HB1 ALA 56 1HB ALA 56 -16.935 10.607 2.261 410 HB2 ALA 56 2HB ALA 56 -16.883 11.910 3.449 411 HB3 ALA 56 3HB ALA 56 -17.935 12.043 2.040 412 H GLU 57 H GLU 57 -17.158 13.725 -0.057 413 HA GLU 57 HA GLU 57 -17.298 11.821 -2.168 414 HB2 GLU 57 1HB GLU 57 -17.747 14.794 -2.412 415 HB3 GLU 57 2HB GLU 57 -18.418 13.519 -3.420 416 HG2 GLU 57 1HG GLU 57 -19.032 13.652 -0.495 417 HG3 GLU 57 2HG GLU 57 -19.923 14.628 -1.662 418 H ASN 58 H ASN 58 -14.914 14.034 -1.171 419 HA ASN 58 HA ASN 58 -13.598 13.914 -3.802 420 HB2 ASN 58 1HB ASN 58 -13.141 15.848 -1.519 421 HB3 ASN 58 2HB ASN 58 -12.277 15.860 -3.054 422 HD21 ASN 58 1HD2 ASN 58 -15.706 15.396 -2.305 423 HD22 ASN 58 2HD2 ASN 58 -16.271 16.721 -3.260 424 H LEU 59 H LEU 59 -13.624 11.843 -1.672 425 HA LEU 59 HA LEU 59 -11.113 11.811 -0.362 426 HB2 LEU 59 1HB LEU 59 -13.104 10.481 0.308 427 HB3 LEU 59 2HB LEU 59 -12.850 9.463 -1.108 428 HG LEU 59 HG LEU 59 -10.624 9.751 0.851 429 HD11 LEU 59 1HD1 LEU 59 -12.079 9.204 2.501 430 HD12 LEU 59 2HD1 LEU 59 -11.803 7.586 1.857 431 HD13 LEU 59 3HD1 LEU 59 -13.246 8.485 1.390 432 HD21 LEU 59 1HD2 LEU 59 -9.986 8.438 -0.927 433 HD22 LEU 59 2HD2 LEU 59 -11.598 7.756 -1.145 434 HD23 LEU 59 3HD2 LEU 59 -10.588 7.221 0.199 435 H VAL 60 H VAL 60 -9.211 10.739 -0.860 436 HA VAL 60 HA VAL 60 -8.925 9.953 -3.687 437 HB VAL 60 HB VAL 60 -6.994 11.291 -1.809 438 HG11 VAL 60 1HG1 VAL 60 -5.422 9.910 -2.646 439 HG12 VAL 60 2HG1 VAL 60 -6.415 9.446 -4.030 440 HG13 VAL 60 3HG1 VAL 60 -5.526 10.969 -4.052 441 HG21 VAL 60 1HG2 VAL 60 -8.565 12.050 -4.129 442 HG22 VAL 60 2HG2 VAL 60 -7.750 13.063 -2.936 443 HG23 VAL 60 3HG2 VAL 60 -6.855 12.438 -4.321 444 H GLN 61 H GLN 61 -8.346 7.925 -4.117 445 HA GLN 61 HA GLN 61 -7.286 6.286 -1.909 446 HB2 GLN 61 1HB GLN 61 -8.977 5.398 -4.253 447 HB3 GLN 61 2HB GLN 61 -8.354 4.352 -2.984 448 HG2 GLN 61 1HG GLN 61 -9.657 5.716 -1.341 449 HG3 GLN 61 2HG GLN 61 -10.398 6.538 -2.713 450 HE21 GLN 61 1HE2 GLN 61 -10.254 3.646 -0.844 451 HE22 GLN 61 2HE2 GLN 61 -11.585 2.839 -1.593 452 H TRP 62 H TRP 62 -5.321 5.466 -2.175 453 HA TRP 62 HA TRP 62 -4.349 4.733 -4.803 454 HB2 TRP 62 1HB TRP 62 -2.505 6.183 -4.905 455 HB3 TRP 62 2HB TRP 62 -3.831 7.222 -4.389 456 HD1 TRP 62 HD1 TRP 62 -0.417 6.081 -3.376 457 HE1 TRP 62 HE1 TRP 62 0.205 7.097 -1.095 458 HE3 TRP 62 HE3 TRP 62 -4.997 7.907 -2.024 459 HZ2 TRP 62 HZ2 TRP 62 -1.076 8.488 1.001 460 HZ3 TRP 62 HZ3 TRP 62 -5.214 9.067 0.135 461 HH2 TRP 62 HH2 TRP 62 -3.292 9.350 1.615 462 H GLU 63 H GLU 63 -2.317 3.542 -4.711 463 HA GLU 63 HA GLU 63 -1.786 2.412 -2.042 464 HB2 GLU 63 1HB GLU 63 -1.148 0.316 -3.526 465 HB3 GLU 63 2HB GLU 63 -2.801 0.596 -2.999 466 HG2 GLU 63 1HG GLU 63 -3.111 1.816 -5.222 467 HG3 GLU 63 2HG GLU 63 -1.598 1.048 -5.703 468 H MET 64 H MET 64 0.368 1.116 -2.113 469 HA MET 64 HA MET 64 2.363 2.324 -3.853 470 HB2 MET 64 1HB MET 64 2.504 2.531 -0.840 471 HB3 MET 64 2HB MET 64 3.805 2.957 -1.944 472 HG2 MET 64 1HG MET 64 2.713 4.838 -2.717 473 HG3 MET 64 2HG MET 64 1.130 4.248 -2.219 474 HE1 MET 64 1HE MET 64 4.600 4.600 -0.414 475 HE2 MET 64 2HE MET 64 4.362 6.174 -1.173 476 HE3 MET 64 3HE MET 64 4.325 6.028 0.584 477 H GLU 65 H GLU 65 4.410 1.216 -3.808 478 HA GLU 65 HA GLU 65 4.623 -1.242 -2.301 479 HB2 GLU 65 1HB GLU 65 3.338 -2.157 -4.055 480 HB3 GLU 65 2HB GLU 65 4.182 -1.216 -5.277 481 HG2 GLU 65 1HG GLU 65 6.240 -2.542 -4.738 482 HG3 GLU 65 2HG GLU 65 5.222 -3.578 -3.739 483 H VAL 66 H VAL 66 6.712 -1.923 -2.067 484 HA VAL 66 HA VAL 66 8.762 -0.092 -3.011 485 HB VAL 66 HB VAL 66 9.236 -2.502 -1.275 486 HG11 VAL 66 1HG1 VAL 66 10.718 -0.053 -2.026 487 HG12 VAL 66 2HG1 VAL 66 10.890 -0.614 -0.362 488 HG13 VAL 66 3HG1 VAL 66 11.308 -1.683 -1.702 489 HG21 VAL 66 1HG2 VAL 66 9.018 -0.194 0.336 490 HG22 VAL 66 2HG2 VAL 66 7.568 -0.265 -0.665 491 HG23 VAL 66 3HG2 VAL 66 8.002 -1.635 0.356 492 H CYS 67 H CYS 67 9.548 -0.457 -4.984 493 HA CYS 67 HA CYS 67 10.176 -3.236 -5.735 494 HB2 CYS 67 1HB CYS 67 9.810 -2.616 -8.068 495 HB3 CYS 67 2HB CYS 67 8.371 -2.281 -7.113 496 HG CYS 67 HG CYS 67 10.405 -0.153 -8.740 497 H LYS 68 H LYS 68 11.969 -3.393 -7.362 498 HA LYS 68 HA LYS 68 14.095 -1.486 -6.649 499 HB2 LYS 68 1HB LYS 68 14.550 -3.767 -5.922 500 HB3 LYS 68 2HB LYS 68 14.286 -4.365 -7.555 501 HG2 LYS 68 1HG LYS 68 16.256 -3.340 -8.353 502 HG3 LYS 68 2HG LYS 68 16.435 -2.376 -6.885 503 HD2 LYS 68 1HD LYS 68 16.420 -5.355 -6.688 504 HD3 LYS 68 2HD LYS 68 17.879 -4.533 -7.246 505 HE2 LYS 68 1HE LYS 68 16.548 -3.518 -4.789 506 HE3 LYS 68 2HE LYS 68 17.445 -5.032 -4.681 507 HZ1 LYS 68 1HZ LYS 68 19.288 -3.843 -4.520 508 HZ2 LYS 68 2HZ LYS 68 18.439 -2.397 -4.744 509 HZ3 LYS 68 3HZ LYS 68 19.039 -3.241 -6.081 510 H LEU 69 H LEU 69 14.020 0.034 -8.227 511 HA LEU 69 HA LEU 69 13.311 -0.206 -10.859 512 HB2 LEU 69 1HB LEU 69 15.573 1.515 -9.864 513 HB3 LEU 69 2HB LEU 69 14.584 1.785 -11.298 514 HG LEU 69 HG LEU 69 13.254 1.722 -8.631 515 HD11 LEU 69 1HD1 LEU 69 14.230 4.348 -9.547 516 HD12 LEU 69 2HD1 LEU 69 15.436 3.273 -8.841 517 HD13 LEU 69 3HD1 LEU 69 14.005 3.723 -7.913 518 HD21 LEU 69 1HD2 LEU 69 11.703 1.973 -10.315 519 HD22 LEU 69 2HD2 LEU 69 12.791 2.927 -11.324 520 HD23 LEU 69 3HD2 LEU 69 12.043 3.653 -9.900 521 HA PRO 70 HA PRO 70 16.357 -2.794 -12.726 522 HB2 PRO 70 1HB PRO 70 15.893 -2.128 -15.317 523 HB3 PRO 70 2HB PRO 70 14.804 -3.158 -14.380 524 HG2 PRO 70 1HG PRO 70 14.584 -0.237 -14.998 525 HG3 PRO 70 2HG PRO 70 13.324 -1.484 -15.025 526 HD2 PRO 70 1HD PRO 70 13.618 0.246 -12.962 527 HD3 PRO 70 2HD PRO 70 13.030 -1.414 -12.740 528 H ARG 71 H ARG 71 16.115 0.479 -14.137 529 HA ARG 71 HA ARG 71 18.819 0.533 -15.004 530 HB2 ARG 71 1HB ARG 71 17.039 2.917 -14.490 531 HB3 ARG 71 2HB ARG 71 18.424 2.832 -15.570 532 HG2 ARG 71 1HG ARG 71 15.943 1.179 -15.952 533 HG3 ARG 71 2HG ARG 71 16.168 2.775 -16.671 534 HD2 ARG 71 1HD ARG 71 16.849 1.321 -18.355 535 HD3 ARG 71 2HD ARG 71 18.364 1.815 -17.600 536 HE ARG 71 HE ARG 71 17.260 -0.601 -16.503 537 HH11 ARG 71 1HH1 ARG 71 19.255 0.754 -19.014 538 HH12 ARG 71 2HH1 ARG 71 20.144 -0.710 -19.277 539 HH21 ARG 71 1HH2 ARG 71 18.424 -2.533 -16.840 540 HH22 ARG 71 2HH2 ARG 71 19.670 -2.579 -18.041 541 H LEU 72 H LEU 72 17.143 2.041 -12.252 542 HA LEU 72 HA LEU 72 19.666 2.951 -11.140 543 HB2 LEU 72 1HB LEU 72 16.784 3.315 -10.444 544 HB3 LEU 72 2HB LEU 72 18.023 3.650 -9.236 545 HG LEU 72 HG LEU 72 18.012 4.961 -11.944 546 HD11 LEU 72 1HD1 LEU 72 16.003 5.282 -10.104 547 HD12 LEU 72 2HD1 LEU 72 16.472 6.455 -11.334 548 HD13 LEU 72 3HD1 LEU 72 17.118 6.586 -9.698 549 HD21 LEU 72 1HD2 LEU 72 20.104 5.264 -11.003 550 HD22 LEU 72 2HD2 LEU 72 19.469 5.348 -9.360 551 HD23 LEU 72 3HD2 LEU 72 19.238 6.704 -10.465 552 H SER 73 H SER 73 20.789 1.955 -9.588 553 HA SER 73 HA SER 73 19.956 -0.655 -8.708 554 HB2 SER 73 1HB SER 73 22.326 -0.094 -9.280 555 HB3 SER 73 2HB SER 73 22.384 0.935 -7.849 556 HG SER 73 HG SER 73 23.145 -0.983 -7.157 557 H LEU 74 H LEU 74 18.088 1.076 -7.796 558 HA LEU 74 HA LEU 74 18.458 0.880 -4.906 559 HB2 LEU 74 1HB LEU 74 17.365 3.383 -6.165 560 HB3 LEU 74 2HB LEU 74 17.742 3.103 -4.466 561 HG LEU 74 HG LEU 74 20.186 2.775 -5.473 562 HD11 LEU 74 1HD1 LEU 74 20.640 4.226 -7.304 563 HD12 LEU 74 2HD1 LEU 74 18.979 4.816 -7.328 564 HD13 LEU 74 3HD1 LEU 74 19.330 3.152 -7.794 565 HD21 LEU 74 1HD2 LEU 74 20.471 4.481 -4.087 566 HD22 LEU 74 2HD2 LEU 74 18.745 4.839 -4.152 567 HD23 LEU 74 3HD2 LEU 74 19.845 5.583 -5.313 568 H ASN 75 H ASN 75 16.238 1.686 -3.861 569 HA ASN 75 HA ASN 75 14.160 0.135 -5.231 570 HB2 ASN 75 1HB ASN 75 14.051 1.092 -2.375 571 HB3 ASN 75 2HB ASN 75 13.162 -0.235 -3.117 572 HD21 ASN 75 1HD2 ASN 75 13.805 -1.968 -2.028 573 HD22 ASN 75 2HD2 ASN 75 15.447 -2.463 -1.817 574 H GLY 76 H GLY 76 12.299 1.031 -5.922 575 HA2 GLY 76 1HA GLY 76 11.892 3.897 -5.322 576 HA3 GLY 76 2HA GLY 76 11.523 3.171 -6.880 577 H VAL 77 H VAL 77 9.799 4.661 -5.015 578 HA VAL 77 HA VAL 77 7.929 2.646 -4.053 579 HB VAL 77 HB VAL 77 7.831 5.661 -3.876 580 HG11 VAL 77 1HG1 VAL 77 5.981 3.528 -2.853 581 HG12 VAL 77 2HG1 VAL 77 6.063 5.129 -2.116 582 HG13 VAL 77 3HG1 VAL 77 5.593 4.958 -3.808 583 HG21 VAL 77 1HG2 VAL 77 9.458 5.196 -2.367 584 HG22 VAL 77 2HG2 VAL 77 8.069 4.833 -1.343 585 HG23 VAL 77 3HG2 VAL 77 8.934 3.526 -2.150 586 H ARG 78 H ARG 78 5.678 2.685 -4.635 587 HA ARG 78 HA ARG 78 5.244 3.647 -7.385 588 HB2 ARG 78 1HB ARG 78 3.892 1.328 -5.993 589 HB3 ARG 78 2HB ARG 78 3.667 1.813 -7.669 590 HG2 ARG 78 1HG ARG 78 6.415 1.154 -6.755 591 HG3 ARG 78 2HG ARG 78 5.269 -0.165 -7.005 592 HD2 ARG 78 1HD ARG 78 5.652 1.946 -9.095 593 HD3 ARG 78 2HD ARG 78 6.776 0.593 -8.970 594 HE ARG 78 HE ARG 78 4.119 0.527 -10.015 595 HH11 ARG 78 1HH1 ARG 78 6.546 -1.354 -8.375 596 HH12 ARG 78 2HH1 ARG 78 5.937 -2.874 -8.942 597 HH21 ARG 78 1HH2 ARG 78 3.308 -1.467 -10.769 598 HH22 ARG 78 2HH2 ARG 78 4.096 -2.937 -10.304 599 H PHE 79 H PHE 79 3.234 4.553 -7.926 600 HA PHE 79 HA PHE 79 1.421 5.170 -5.708 601 HB2 PHE 79 1HB PHE 79 2.732 7.176 -7.541 602 HB3 PHE 79 2HB PHE 79 1.267 7.539 -6.635 603 HD1 PHE 79 HD2 PHE 79 4.723 6.246 -6.118 604 HD2 PHE 79 HD1 PHE 79 1.457 8.475 -4.542 605 HE1 PHE 79 HE2 PHE 79 6.090 6.864 -4.167 606 HE2 PHE 79 HE1 PHE 79 2.818 9.096 -2.590 607 HZ PHE 79 HZ PHE 79 5.138 8.290 -2.400 608 H LYS 80 H LYS 80 -0.383 4.183 -6.366 609 HA LYS 80 HA LYS 80 -1.202 4.447 -9.175 610 HB2 LYS 80 1HB LYS 80 -1.011 2.153 -8.215 611 HB3 LYS 80 2HB LYS 80 -2.276 2.567 -7.065 612 HG2 LYS 80 1HG LYS 80 -3.818 2.959 -8.946 613 HG3 LYS 80 2HG LYS 80 -2.548 2.453 -10.062 614 HD2 LYS 80 1HD LYS 80 -3.324 0.648 -7.815 615 HD3 LYS 80 2HD LYS 80 -4.360 0.746 -9.241 616 HE2 LYS 80 1HE LYS 80 -2.588 0.042 -10.669 617 HE3 LYS 80 2HE LYS 80 -1.400 0.204 -9.377 618 HZ1 LYS 80 1HZ LYS 80 -1.754 -2.013 -9.263 619 HZ2 LYS 80 2HZ LYS 80 -3.331 -1.926 -9.870 620 HZ3 LYS 80 3HZ LYS 80 -3.024 -1.534 -8.253 621 H ARG 81 H ARG 81 -2.725 5.873 -9.659 622 HA ARG 81 HA ARG 81 -4.323 7.053 -7.532 623 HB2 ARG 81 1HB ARG 81 -3.394 8.671 -8.977 624 HB3 ARG 81 2HB ARG 81 -3.838 7.761 -10.415 625 HG2 ARG 81 1HG ARG 81 -6.238 8.195 -9.829 626 HG3 ARG 81 2HG ARG 81 -5.655 9.296 -8.579 627 HD2 ARG 81 1HD ARG 81 -4.753 10.779 -10.140 628 HD3 ARG 81 2HD ARG 81 -4.756 9.571 -11.424 629 HE ARG 81 HE ARG 81 -7.383 10.230 -10.474 630 HH11 ARG 81 1HH1 ARG 81 -4.824 11.146 -12.650 631 HH12 ARG 81 2HH1 ARG 81 -5.876 11.983 -13.743 632 HH21 ARG 81 1HH2 ARG 81 -8.778 11.328 -11.905 633 HH22 ARG 81 2HH2 ARG 81 -8.125 12.086 -13.318 634 H ILE 82 H ILE 82 -5.914 5.620 -7.001 635 HA ILE 82 HA ILE 82 -7.443 4.222 -8.989 636 HB ILE 82 HB ILE 82 -8.076 4.550 -6.055 637 HG12 ILE 82 1HG1 ILE 82 -5.790 3.608 -6.524 638 HG13 ILE 82 2HG1 ILE 82 -6.863 2.521 -5.648 639 HG21 ILE 82 1HG2 ILE 82 -9.297 3.086 -8.269 640 HG22 ILE 82 2HG2 ILE 82 -8.975 2.094 -6.848 641 HG23 ILE 82 3HG2 ILE 82 -9.967 3.544 -6.704 642 HD11 ILE 82 1HD1 ILE 82 -5.541 1.409 -7.409 643 HD12 ILE 82 2HD1 ILE 82 -7.283 1.253 -7.640 644 HD13 ILE 82 3HD1 ILE 82 -6.364 2.402 -8.611 645 H SER 83 H SER 83 -8.530 6.451 -6.425 646 HA SER 83 HA SER 83 -10.442 7.589 -8.357 647 HB2 SER 83 1HB SER 83 -12.137 7.702 -6.674 648 HB3 SER 83 2HB SER 83 -11.486 6.064 -6.623 649 HG SER 83 HG SER 83 -10.847 6.415 -4.657 650 H GLY 84 H GLY 84 -11.097 9.795 -7.933 651 HA2 GLY 84 1HA GLY 84 -10.820 11.855 -6.710 652 HA3 GLY 84 2HA GLY 84 -9.235 11.289 -6.205 653 H THR 85 H THR 85 -10.490 13.630 -7.886 654 HA THR 85 HA THR 85 -9.418 13.535 -10.463 655 HB THR 85 HB THR 85 -11.006 15.256 -9.874 656 HG1 THR 85 HG1 THR 85 -8.499 16.505 -10.397 657 HG21 THR 85 1HG2 THR 85 -9.612 15.487 -7.526 658 HG22 THR 85 2HG2 THR 85 -10.858 16.605 -8.084 659 HG23 THR 85 3HG2 THR 85 -9.156 16.961 -8.379 660 H SER 86 H SER 86 -7.631 15.021 -11.244 661 HA SER 86 HA SER 86 -5.176 14.168 -10.220 662 HB2 SER 86 1HB SER 86 -5.722 16.606 -11.931 663 HB3 SER 86 2HB SER 86 -4.161 15.811 -11.731 664 HG SER 86 HG SER 86 -5.531 13.870 -12.485 665 H ILE 87 H ILE 87 -6.840 17.284 -9.844 666 HA ILE 87 HA ILE 87 -4.957 18.683 -8.410 667 HB ILE 87 HB ILE 87 -7.930 18.730 -7.881 668 HG12 ILE 87 1HG1 ILE 87 -7.593 19.081 -10.227 669 HG13 ILE 87 2HG1 ILE 87 -7.886 20.658 -9.502 670 HG21 ILE 87 1HG2 ILE 87 -6.584 19.863 -6.174 671 HG22 ILE 87 2HG2 ILE 87 -5.821 20.837 -7.430 672 HG23 ILE 87 3HG2 ILE 87 -7.547 21.005 -7.110 673 HD11 ILE 87 1HD1 ILE 87 -6.110 20.783 -11.133 674 HD12 ILE 87 2HD1 ILE 87 -5.476 21.093 -9.517 675 HD13 ILE 87 3HD1 ILE 87 -5.210 19.527 -10.283 676 H ALA 88 H ALA 88 -7.659 16.887 -6.917 677 HA ALA 88 HA ALA 88 -6.721 17.030 -4.295 678 HB1 ALA 88 1HB ALA 88 -8.252 14.633 -5.184 679 HB2 ALA 88 2HB ALA 88 -8.443 15.621 -3.735 680 HB3 ALA 88 3HB ALA 88 -9.008 16.223 -5.293 681 H PHE 89 H PHE 89 -6.376 14.373 -6.646 682 HA PHE 89 HA PHE 89 -5.004 12.537 -5.177 683 HB2 PHE 89 1HB PHE 89 -5.636 12.118 -7.484 684 HB3 PHE 89 2HB PHE 89 -4.491 13.330 -8.050 685 HD1 PHE 89 HD1 PHE 89 -4.148 10.570 -5.570 686 HD2 PHE 89 HD2 PHE 89 -2.859 12.252 -9.262 687 HE1 PHE 89 HE1 PHE 89 -2.411 8.836 -5.750 688 HE2 PHE 89 HE2 PHE 89 -1.121 10.520 -9.448 689 HZ PHE 89 HZ PHE 89 -0.896 8.809 -7.691 690 H LYS 90 H LYS 90 -3.401 15.030 -7.165 691 HA LYS 90 HA LYS 90 -0.817 14.578 -6.201 692 HB2 LYS 90 1HB LYS 90 -1.711 16.030 -8.201 693 HB3 LYS 90 2HB LYS 90 -1.685 17.326 -7.011 694 HG2 LYS 90 1HG LYS 90 0.751 15.654 -7.305 695 HG3 LYS 90 2HG LYS 90 0.379 16.824 -8.573 696 HD2 LYS 90 1HD LYS 90 0.542 17.494 -5.637 697 HD3 LYS 90 2HD LYS 90 1.871 17.705 -6.780 698 HE2 LYS 90 1HE LYS 90 0.182 19.093 -8.145 699 HE3 LYS 90 2HE LYS 90 -0.760 19.140 -6.656 700 HZ1 LYS 90 1HZ LYS 90 1.428 19.947 -5.615 701 HZ2 LYS 90 2HZ LYS 90 0.523 21.040 -6.534 702 HZ3 LYS 90 3HZ LYS 90 1.892 20.305 -7.202 703 H ASN 91 H ASN 91 -3.458 16.454 -4.902 704 HA ASN 91 HA ASN 91 -2.111 18.112 -3.127 705 HB2 ASN 91 1HB ASN 91 -4.680 17.831 -3.714 706 HB3 ASN 91 2HB ASN 91 -4.670 16.841 -2.257 707 HD21 ASN 91 1HD2 ASN 91 -5.451 19.752 -3.263 708 HD22 ASN 91 2HD2 ASN 91 -5.068 20.706 -1.875 709 H ILE 92 H ILE 92 -3.590 14.952 -2.369 710 HA ILE 92 HA ILE 92 -2.309 14.781 0.174 711 HB ILE 92 HB ILE 92 -4.415 13.639 -0.186 712 HG12 ILE 92 1HG1 ILE 92 -3.861 11.478 0.766 713 HG13 ILE 92 2HG1 ILE 92 -2.212 11.596 0.163 714 HG21 ILE 92 1HG2 ILE 92 -2.937 12.411 -2.446 715 HG22 ILE 92 2HG2 ILE 92 -4.137 11.423 -1.616 716 HG23 ILE 92 3HG2 ILE 92 -4.611 12.955 -2.348 717 HD11 ILE 92 1HD1 ILE 92 -2.953 13.842 1.845 718 HD12 ILE 92 2HD1 ILE 92 -3.073 12.288 2.671 719 HD13 ILE 92 3HD1 ILE 92 -1.551 12.775 1.924 720 H ALA 93 H ALA 93 -1.537 13.695 -3.053 721 HA ALA 93 HA ALA 93 0.416 11.775 -2.420 722 HB1 ALA 93 1HB ALA 93 -0.669 12.193 -4.668 723 HB2 ALA 93 2HB ALA 93 0.472 13.524 -4.864 724 HB3 ALA 93 3HB ALA 93 1.065 11.873 -4.685 725 H SER 94 H SER 94 0.597 15.274 -2.835 726 HA SER 94 HA SER 94 3.415 15.478 -2.762 727 HB2 SER 94 1HB SER 94 1.757 17.252 -3.534 728 HB3 SER 94 2HB SER 94 1.490 17.609 -1.828 729 HG SER 94 HG SER 94 3.799 17.964 -1.696 730 H LYS 95 H LYS 95 1.140 14.759 -0.354 731 HA LYS 95 HA LYS 95 2.710 15.783 1.855 732 HB2 LYS 95 1HB LYS 95 0.250 14.023 1.841 733 HB3 LYS 95 2HB LYS 95 0.974 14.753 3.268 734 HG2 LYS 95 1HG LYS 95 0.605 16.983 1.967 735 HG3 LYS 95 2HG LYS 95 -0.576 16.029 1.066 736 HD2 LYS 95 1HD LYS 95 -1.955 15.773 2.877 737 HD3 LYS 95 2HD LYS 95 -0.632 15.900 4.039 738 HE2 LYS 95 1HE LYS 95 -1.424 18.262 2.381 739 HE3 LYS 95 2HE LYS 95 -2.344 17.842 3.825 740 HZ1 LYS 95 1HZ LYS 95 -0.685 19.411 4.432 741 HZ2 LYS 95 2HZ LYS 95 0.539 18.523 3.676 742 HZ3 LYS 95 3HZ LYS 95 -0.211 17.916 5.066 743 H ILE 96 H ILE 96 2.308 12.815 0.107 744 HA ILE 96 HA ILE 96 3.576 11.182 2.125 745 HB ILE 96 HB ILE 96 2.964 10.496 -0.752 746 HG12 ILE 96 1HG1 ILE 96 0.972 11.161 0.640 747 HG13 ILE 96 2HG1 ILE 96 0.917 9.515 0.017 748 HG21 ILE 96 1HG2 ILE 96 2.897 8.228 0.901 749 HG22 ILE 96 2HG2 ILE 96 4.082 8.624 -0.343 750 HG23 ILE 96 3HG2 ILE 96 4.363 9.110 1.329 751 HD11 ILE 96 1HD1 ILE 96 0.690 10.403 2.691 752 HD12 ILE 96 2HD1 ILE 96 0.620 8.755 2.066 753 HD13 ILE 96 3HD1 ILE 96 2.166 9.446 2.559 754 H ALA 97 H ALA 97 4.422 12.251 -1.169 755 HA ALA 97 HA ALA 97 7.002 11.206 -1.248 756 HB1 ALA 97 1HB ALA 97 5.526 13.295 -2.718 757 HB2 ALA 97 2HB ALA 97 7.286 13.376 -2.806 758 HB3 ALA 97 3HB ALA 97 6.444 11.914 -3.319 759 H ASN 98 H ASN 98 5.858 14.350 -0.081 760 HA ASN 98 HA ASN 98 8.416 15.421 0.474 761 HB2 ASN 98 1HB ASN 98 6.378 16.803 0.247 762 HB3 ASN 98 2HB ASN 98 5.760 16.117 1.746 763 HD21 ASN 98 1HD2 ASN 98 7.250 18.718 0.462 764 HD22 ASN 98 2HD2 ASN 98 8.054 19.326 1.864 765 H GLU 99 H GLU 99 5.947 14.483 2.869 766 HA GLU 99 HA GLU 99 7.452 14.437 5.120 767 HB2 GLU 99 1HB GLU 99 5.225 12.613 4.249 768 HB3 GLU 99 2HB GLU 99 5.971 12.448 5.833 769 HG2 GLU 99 1HG GLU 99 4.907 15.088 4.926 770 HG3 GLU 99 2HG GLU 99 3.829 13.859 5.585 771 H LEU 100 H LEU 100 7.070 11.667 2.912 772 HA LEU 100 HA LEU 100 8.530 9.734 4.068 773 HB2 LEU 100 1HB LEU 100 8.294 10.617 1.240 774 HB3 LEU 100 2HB LEU 100 9.499 9.390 1.625 775 HG LEU 100 HG LEU 100 6.538 9.163 2.161 776 HD11 LEU 100 1HD1 LEU 100 7.790 7.300 0.297 777 HD12 LEU 100 2HD1 LEU 100 7.798 8.972 -0.262 778 HD13 LEU 100 3HD1 LEU 100 6.275 8.194 0.166 779 HD21 LEU 100 1HD2 LEU 100 7.124 7.560 3.584 780 HD22 LEU 100 2HD2 LEU 100 8.826 7.706 3.143 781 HD23 LEU 100 3HD2 LEU 100 7.758 6.658 2.207 782 H LYS 101 H LYS 101 10.279 10.094 5.303 783 HA LYS 101 HA LYS 101 12.386 11.881 4.449 784 HB2 LYS 101 1HB LYS 101 11.566 11.550 6.855 785 HB3 LYS 101 2HB LYS 101 12.469 10.041 6.833 786 HG2 LYS 101 1HG LYS 101 14.531 11.217 6.465 787 HG3 LYS 101 2HG LYS 101 13.670 12.749 6.294 788 HD2 LYS 101 1HD LYS 101 14.361 12.891 8.480 789 HD3 LYS 101 2HD LYS 101 12.774 12.147 8.689 790 HE2 LYS 101 1HE LYS 101 15.156 10.392 8.326 791 HE3 LYS 101 2HE LYS 101 14.903 11.171 9.887 792 HZ1 LYS 101 1HZ LYS 101 13.814 8.831 9.163 793 HZ2 LYS 101 2HZ LYS 101 12.558 9.896 8.782 794 HZ3 LYS 101 3HZ LYS 101 13.177 9.848 10.355 795 H LEU 102 H LEU 102 12.605 10.407 2.461 796 HA LEU 102 HA LEU 102 14.552 8.276 3.053 797 HB2 LEU 102 1HB LEU 102 12.923 8.488 0.538 798 HB3 LEU 102 2HB LEU 102 13.849 7.108 1.122 799 HG LEU 102 HG LEU 102 11.467 8.120 2.637 800 HD11 LEU 102 1HD1 LEU 102 10.213 6.280 1.416 801 HD12 LEU 102 2HD1 LEU 102 11.505 6.341 0.218 802 HD13 LEU 102 3HD1 LEU 102 10.514 7.769 0.519 803 HD21 LEU 102 1HD2 LEU 102 11.496 6.048 3.680 804 HD22 LEU 102 2HD2 LEU 102 13.210 6.424 3.507 805 HD23 LEU 102 3HD2 LEU 102 12.437 5.299 2.390 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -10.351 6.998 -29.139 2 HA2 GLY 1 1HA GLY 1 -11.756 8.523 -30.807 3 HA3 GLY 1 2HA GLY 1 -11.570 9.626 -29.451 4 H SER 2 H SER 2 -10.350 11.088 -30.664 5 HA SER 2 HA SER 2 -7.701 10.134 -31.521 6 HB2 SER 2 1HB SER 2 -9.169 11.223 -33.250 7 HB3 SER 2 2HB SER 2 -9.063 12.716 -32.317 8 HG SER 2 HG SER 2 -6.820 11.298 -33.320 9 H SER 3 H SER 3 -5.924 11.767 -31.279 10 HA SER 3 HA SER 3 -6.141 13.815 -29.315 11 HB2 SER 3 1HB SER 3 -6.251 11.849 -27.822 12 HB3 SER 3 2HB SER 3 -4.713 11.281 -28.472 13 HG SER 3 HG SER 3 -4.039 13.567 -27.772 14 H GLY 4 H GLY 4 -4.502 15.229 -29.545 15 HA2 GLY 4 1HA GLY 4 -2.613 14.845 -31.636 16 HA3 GLY 4 2HA GLY 4 -2.668 16.208 -30.527 17 H SER 5 H SER 5 -1.417 12.978 -31.050 18 HA SER 5 HA SER 5 -0.112 12.375 -28.753 19 HB2 SER 5 1HB SER 5 -0.003 10.940 -30.722 20 HB3 SER 5 2HB SER 5 1.002 12.123 -31.558 21 HG SER 5 HG SER 5 2.690 11.525 -30.411 22 H SER 6 H SER 6 1.178 13.481 -27.455 23 HA SER 6 HA SER 6 3.047 15.425 -28.645 24 HB2 SER 6 1HB SER 6 1.463 16.745 -27.492 25 HB3 SER 6 2HB SER 6 1.386 15.619 -26.137 26 HG SER 6 HG SER 6 3.479 17.395 -26.825 27 H GLY 7 H GLY 7 2.497 13.601 -25.622 28 HA2 GLY 7 1HA GLY 7 5.353 12.867 -25.676 29 HA3 GLY 7 2HA GLY 7 4.622 13.491 -24.205 30 H ARG 8 H ARG 8 4.323 11.913 -22.791 31 HA ARG 8 HA ARG 8 2.739 9.622 -23.451 32 HB2 ARG 8 1HB ARG 8 4.363 7.903 -23.006 33 HB3 ARG 8 2HB ARG 8 4.986 8.939 -24.282 34 HG2 ARG 8 1HG ARG 8 5.746 9.427 -21.433 35 HG3 ARG 8 2HG ARG 8 6.560 8.182 -22.384 36 HD2 ARG 8 1HD ARG 8 7.269 9.797 -24.005 37 HD3 ARG 8 2HD ARG 8 6.295 11.056 -23.248 38 HE ARG 8 HE ARG 8 8.908 10.211 -22.473 39 HH11 ARG 8 1HH1 ARG 8 5.904 11.502 -21.276 40 HH12 ARG 8 2HH1 ARG 8 6.630 12.266 -19.901 41 HH21 ARG 8 1HH2 ARG 8 9.875 11.212 -20.666 42 HH22 ARG 8 2HH2 ARG 8 8.889 12.101 -19.555 43 H PHE 9 H PHE 9 2.591 8.114 -21.499 44 HA PHE 9 HA PHE 9 2.902 9.651 -19.007 45 HB2 PHE 9 1HB PHE 9 0.516 8.036 -19.916 46 HB3 PHE 9 2HB PHE 9 0.743 8.579 -18.257 47 HD1 PHE 9 HD1 PHE 9 0.717 10.992 -17.733 48 HD2 PHE 9 HD2 PHE 9 -0.225 9.516 -21.613 49 HE1 PHE 9 HE1 PHE 9 -0.337 13.144 -18.292 50 HE2 PHE 9 HE2 PHE 9 -1.279 11.666 -22.178 51 HZ PHE 9 HZ PHE 9 -1.336 13.484 -20.517 52 H THR 10 H THR 10 4.734 7.746 -19.975 53 HA THR 10 HA THR 10 4.513 5.136 -19.238 54 HB THR 10 HB THR 10 6.544 6.091 -20.255 55 HG1 THR 10 HG1 THR 10 6.646 4.467 -17.967 56 HG21 THR 10 1HG2 THR 10 8.248 7.093 -18.702 57 HG22 THR 10 2HG2 THR 10 6.971 7.224 -17.492 58 HG23 THR 10 3HG2 THR 10 6.842 8.109 -19.012 59 H TRP 11 H TRP 11 4.754 3.917 -17.380 60 HA TRP 11 HA TRP 11 3.998 5.238 -14.932 61 HB2 TRP 11 1HB TRP 11 3.311 2.862 -15.881 62 HB3 TRP 11 2HB TRP 11 4.750 2.348 -15.005 63 HD1 TRP 11 HD1 TRP 11 2.295 5.035 -13.735 64 HE1 TRP 11 HE1 TRP 11 1.262 4.203 -11.529 65 HE3 TRP 11 HE3 TRP 11 4.282 0.326 -13.635 66 HZ2 TRP 11 HZ2 TRP 11 1.287 1.860 -9.955 67 HZ3 TRP 11 HZ3 TRP 11 3.728 -1.148 -11.744 68 HH2 TRP 11 HH2 TRP 11 2.262 -0.395 -9.942 69 H SER 12 H SER 12 5.795 6.500 -14.390 70 HA SER 12 HA SER 12 8.067 4.958 -13.335 71 HB2 SER 12 1HB SER 12 9.576 6.813 -14.009 72 HB3 SER 12 2HB SER 12 8.819 6.023 -15.392 73 HG SER 12 HG SER 12 8.211 7.964 -15.904 74 H MET 13 H MET 13 9.477 6.738 -12.007 75 HA MET 13 HA MET 13 7.714 8.435 -10.425 76 HB2 MET 13 1HB MET 13 8.005 5.963 -9.500 77 HB3 MET 13 2HB MET 13 9.514 6.624 -8.885 78 HG2 MET 13 1HG MET 13 7.020 8.150 -8.387 79 HG3 MET 13 2HG MET 13 7.285 6.666 -7.476 80 HE1 MET 13 1HE MET 13 9.657 6.955 -5.138 81 HE2 MET 13 2HE MET 13 8.324 7.978 -4.602 82 HE3 MET 13 3HE MET 13 8.000 6.554 -5.592 83 H LYS 14 H LYS 14 8.889 9.890 -8.998 84 HA LYS 14 HA LYS 14 11.537 10.523 -10.093 85 HB2 LYS 14 1HB LYS 14 9.837 12.290 -10.242 86 HB3 LYS 14 2HB LYS 14 9.627 12.241 -8.496 87 HG2 LYS 14 1HG LYS 14 12.120 12.807 -8.370 88 HG3 LYS 14 2HG LYS 14 11.971 13.234 -10.076 89 HD2 LYS 14 1HD LYS 14 10.628 15.044 -9.646 90 HD3 LYS 14 2HD LYS 14 9.992 14.353 -8.151 91 HE2 LYS 14 1HE LYS 14 12.831 15.306 -8.476 92 HE3 LYS 14 2HE LYS 14 11.528 16.320 -7.858 93 HZ1 LYS 14 1HZ LYS 14 11.432 13.960 -6.419 94 HZ2 LYS 14 2HZ LYS 14 11.940 15.476 -5.868 95 HZ3 LYS 14 3HZ LYS 14 13.069 14.382 -6.493 96 H THR 15 H THR 15 9.867 10.707 -6.943 97 HA THR 15 HA THR 15 12.115 10.988 -5.346 98 HB THR 15 HB THR 15 9.452 9.701 -4.751 99 HG1 THR 15 HG1 THR 15 10.635 12.233 -4.220 100 HG21 THR 15 1HG2 THR 15 10.356 10.295 -2.309 101 HG22 THR 15 2HG2 THR 15 11.894 9.909 -3.080 102 HG23 THR 15 3HG2 THR 15 10.598 8.713 -3.049 103 H THR 16 H THR 16 13.636 9.650 -4.551 104 HA THR 16 HA THR 16 13.329 6.760 -5.004 105 HB THR 16 HB THR 16 15.785 6.666 -5.536 106 HG1 THR 16 HG1 THR 16 16.902 8.469 -5.609 107 HG21 THR 16 1HG2 THR 16 13.636 7.111 -7.190 108 HG22 THR 16 2HG2 THR 16 15.256 6.656 -7.717 109 HG23 THR 16 3HG2 THR 16 14.779 8.354 -7.698 110 H SER 17 H SER 17 14.931 5.471 -3.721 111 HA SER 17 HA SER 17 16.133 6.700 -1.422 112 HB2 SER 17 1HB SER 17 14.774 5.532 0.265 113 HB3 SER 17 2HB SER 17 13.789 6.644 -0.685 114 HG SER 17 HG SER 17 13.464 4.585 -2.025 115 H SER 18 H SER 18 17.878 5.557 -0.910 116 HA SER 18 HA SER 18 18.272 2.951 -2.111 117 HB2 SER 18 1HB SER 18 20.581 3.168 -1.188 118 HB3 SER 18 2HB SER 18 20.114 4.524 -2.215 119 HG SER 18 HG SER 18 21.145 5.097 -0.182 120 H MET 19 H MET 19 16.320 3.274 0.071 121 HA MET 19 HA MET 19 17.560 1.700 2.212 122 HB2 MET 19 1HB MET 19 15.037 3.323 2.032 123 HB3 MET 19 2HB MET 19 15.252 2.131 3.307 124 HG2 MET 19 1HG MET 19 17.407 4.125 2.879 125 HG3 MET 19 2HG MET 19 15.907 4.662 3.632 126 HE1 MET 19 1HE MET 19 14.831 2.572 5.451 127 HE2 MET 19 2HE MET 19 15.747 2.761 6.946 128 HE3 MET 19 3HE MET 19 15.219 4.185 6.049 129 H ASP 20 H ASP 20 17.160 -0.406 2.453 130 HA ASP 20 HA ASP 20 16.064 -2.027 0.556 131 HB2 ASP 20 1HB ASP 20 16.498 -2.340 3.492 132 HB3 ASP 20 2HB ASP 20 15.561 -3.575 2.655 133 HA PRO 21 HA PRO 21 11.689 -1.725 0.650 134 HB2 PRO 21 1HB PRO 21 10.941 -4.294 0.194 135 HB3 PRO 21 2HB PRO 21 11.653 -3.265 -1.054 136 HG2 PRO 21 1HG PRO 21 12.953 -5.364 0.639 137 HG3 PRO 21 2HG PRO 21 13.149 -5.045 -1.095 138 HD2 PRO 21 1HD PRO 21 14.945 -4.212 0.752 139 HD3 PRO 21 2HD PRO 21 14.615 -3.303 -0.737 140 H SER 22 H SER 22 13.006 -4.406 2.570 141 HA SER 22 HA SER 22 10.807 -5.012 4.125 142 HB2 SER 22 1HB SER 22 13.750 -5.046 4.802 143 HB3 SER 22 2HB SER 22 12.514 -5.676 5.890 144 HG SER 22 HG SER 22 11.864 -6.926 3.890 145 H ASP 23 H ASP 23 13.311 -2.569 4.751 146 HA ASP 23 HA ASP 23 12.028 -1.615 7.131 147 HB2 ASP 23 1HB ASP 23 14.415 -0.832 5.523 148 HB3 ASP 23 2HB ASP 23 13.724 0.365 6.616 149 H MET 24 H MET 24 12.176 -0.604 3.757 150 HA MET 24 HA MET 24 11.075 1.909 3.876 151 HB2 MET 24 1HB MET 24 10.972 -0.286 1.860 152 HB3 MET 24 2HB MET 24 9.919 1.103 1.628 153 HG2 MET 24 1HG MET 24 12.819 1.527 2.168 154 HG3 MET 24 2HG MET 24 12.287 1.049 0.558 155 HE1 MET 24 1HE MET 24 10.871 2.041 -0.821 156 HE2 MET 24 2HE MET 24 9.889 3.484 -0.566 157 HE3 MET 24 3HE MET 24 11.513 3.630 -1.239 158 H MET 25 H MET 25 9.329 -1.187 3.743 159 HA MET 25 HA MET 25 6.734 -0.230 3.684 160 HB2 MET 25 1HB MET 25 7.928 -2.709 4.901 161 HB3 MET 25 2HB MET 25 6.200 -2.396 4.969 162 HG2 MET 25 1HG MET 25 7.822 -2.562 2.440 163 HG3 MET 25 2HG MET 25 6.851 -3.871 3.111 164 HE1 MET 25 1HE MET 25 3.905 -3.932 2.259 165 HE2 MET 25 2HE MET 25 4.555 -3.549 3.853 166 HE3 MET 25 3HE MET 25 3.341 -2.499 3.120 167 H ARG 26 H ARG 26 8.875 -0.697 6.455 168 HA ARG 26 HA ARG 26 6.965 -0.137 8.457 169 HB2 ARG 26 1HB ARG 26 9.952 -0.174 8.335 170 HB3 ARG 26 2HB ARG 26 9.167 0.538 9.739 171 HG2 ARG 26 1HG ARG 26 9.611 -1.696 10.310 172 HG3 ARG 26 2HG ARG 26 7.884 -1.628 9.957 173 HD2 ARG 26 1HD ARG 26 8.087 -2.848 8.037 174 HD3 ARG 26 2HD ARG 26 9.731 -2.291 7.730 175 HE ARG 26 HE ARG 26 10.535 -4.042 8.986 176 HH11 ARG 26 1HH1 ARG 26 7.093 -3.760 9.425 177 HH12 ARG 26 2HH1 ARG 26 6.945 -5.268 10.265 178 HH21 ARG 26 1HH2 ARG 26 10.354 -6.029 10.091 179 HH22 ARG 26 2HH2 ARG 26 8.801 -6.558 10.644 180 H GLU 27 H GLU 27 9.408 1.927 6.895 181 HA GLU 27 HA GLU 27 8.839 4.284 8.276 182 HB2 GLU 27 1HB GLU 27 10.831 4.089 6.925 183 HB3 GLU 27 2HB GLU 27 9.873 3.874 5.467 184 HG2 GLU 27 1HG GLU 27 10.682 6.092 5.445 185 HG3 GLU 27 2HG GLU 27 8.964 6.176 5.829 186 H ILE 28 H ILE 28 7.697 3.325 5.034 187 HA ILE 28 HA ILE 28 6.074 5.343 4.337 188 HB ILE 28 HB ILE 28 5.553 2.390 4.109 189 HG12 ILE 28 1HG1 ILE 28 6.087 4.362 1.901 190 HG13 ILE 28 2HG1 ILE 28 7.408 3.673 2.839 191 HG21 ILE 28 1HG2 ILE 28 3.390 2.895 3.798 192 HG22 ILE 28 2HG2 ILE 28 3.721 4.613 3.581 193 HG23 ILE 28 3HG2 ILE 28 3.925 3.498 2.230 194 HD11 ILE 28 1HD1 ILE 28 5.806 1.514 2.058 195 HD12 ILE 28 2HD1 ILE 28 5.967 2.553 0.641 196 HD13 ILE 28 3HD1 ILE 28 7.407 1.949 1.461 197 H ARG 29 H ARG 29 4.710 2.570 6.121 198 HA ARG 29 HA ARG 29 2.289 3.684 6.790 199 HB2 ARG 29 1HB ARG 29 4.010 1.687 8.247 200 HB3 ARG 29 2HB ARG 29 2.420 2.147 8.841 201 HG2 ARG 29 1HG ARG 29 1.362 1.297 6.878 202 HG3 ARG 29 2HG ARG 29 2.920 1.029 6.094 203 HD2 ARG 29 1HD ARG 29 2.276 -0.300 8.698 204 HD3 ARG 29 2HD ARG 29 1.681 -0.972 7.181 205 HE ARG 29 HE ARG 29 4.438 -0.485 6.954 206 HH11 ARG 29 1HH1 ARG 29 2.210 -2.598 8.594 207 HH12 ARG 29 2HH1 ARG 29 3.332 -3.914 8.698 208 HH21 ARG 29 1HH2 ARG 29 5.924 -2.211 7.085 209 HH22 ARG 29 2HH2 ARG 29 5.444 -3.692 7.840 210 H LYS 30 H LYS 30 5.267 3.755 8.743 211 HA LYS 30 HA LYS 30 4.458 5.087 10.963 212 HB2 LYS 30 1HB LYS 30 6.782 4.332 10.500 213 HB3 LYS 30 2HB LYS 30 6.991 5.715 9.434 214 HG2 LYS 30 1HG LYS 30 6.592 7.217 11.341 215 HG3 LYS 30 2HG LYS 30 6.461 5.809 12.397 216 HD2 LYS 30 1HD LYS 30 8.890 6.183 10.691 217 HD3 LYS 30 2HD LYS 30 8.728 7.075 12.206 218 HE2 LYS 30 1HE LYS 30 8.561 5.047 13.460 219 HE3 LYS 30 2HE LYS 30 8.452 4.083 11.988 220 HZ1 LYS 30 1HZ LYS 30 10.769 5.074 13.347 221 HZ2 LYS 30 2HZ LYS 30 10.784 5.456 11.700 222 HZ3 LYS 30 3HZ LYS 30 10.641 3.844 12.193 223 H VAL 31 H VAL 31 4.933 6.449 7.763 224 HA VAL 31 HA VAL 31 4.548 9.168 8.645 225 HB VAL 31 HB VAL 31 4.652 7.976 5.872 226 HG11 VAL 31 1HG1 VAL 31 4.573 10.870 6.720 227 HG12 VAL 31 2HG1 VAL 31 4.864 10.292 5.078 228 HG13 VAL 31 3HG1 VAL 31 3.307 9.999 5.855 229 HG21 VAL 31 1HG2 VAL 31 6.752 7.878 7.166 230 HG22 VAL 31 2HG2 VAL 31 6.870 8.940 5.763 231 HG23 VAL 31 3HG2 VAL 31 6.681 9.628 7.376 232 H LEU 32 H LEU 32 2.666 6.790 6.790 233 HA LEU 32 HA LEU 32 0.433 8.320 6.228 234 HB2 LEU 32 1HB LEU 32 0.518 5.391 6.935 235 HB3 LEU 32 2HB LEU 32 -0.806 6.210 6.109 236 HG LEU 32 HG LEU 32 1.965 6.104 4.950 237 HD11 LEU 32 1HD1 LEU 32 1.673 4.042 4.089 238 HD12 LEU 32 2HD1 LEU 32 -0.074 4.231 3.939 239 HD13 LEU 32 3HD1 LEU 32 0.639 3.832 5.502 240 HD21 LEU 32 1HD2 LEU 32 0.079 7.699 4.177 241 HD22 LEU 32 2HD2 LEU 32 -0.634 6.248 3.472 242 HD23 LEU 32 3HD2 LEU 32 0.972 6.777 2.967 243 H GLY 33 H GLY 33 0.643 5.981 8.922 244 HA2 GLY 33 1HA GLY 33 -1.608 6.467 10.296 245 HA3 GLY 33 2HA GLY 33 -0.073 6.228 11.118 246 H ALA 34 H ALA 34 1.220 8.598 10.337 247 HA ALA 34 HA ALA 34 0.205 10.395 12.276 248 HB1 ALA 34 1HB ALA 34 1.928 11.921 10.830 249 HB2 ALA 34 2HB ALA 34 2.403 10.820 12.124 250 HB3 ALA 34 3HB ALA 34 2.491 10.295 10.443 251 H ASN 35 H ASN 35 0.038 10.301 8.749 252 HA ASN 35 HA ASN 35 -1.355 12.832 8.609 253 HB2 ASN 35 1HB ASN 35 -0.618 10.767 6.533 254 HB3 ASN 35 2HB ASN 35 -1.551 12.212 6.154 255 HD21 ASN 35 1HD2 ASN 35 1.543 10.909 6.799 256 HD22 ASN 35 2HD2 ASN 35 2.448 12.368 6.604 257 H ASN 36 H ASN 36 -2.656 10.923 10.233 258 HA ASN 36 HA ASN 36 -4.606 9.717 10.482 259 HB2 ASN 36 1HB ASN 36 -5.264 12.347 9.229 260 HB3 ASN 36 2HB ASN 36 -6.563 11.180 9.455 261 HD21 ASN 36 1HD2 ASN 36 -4.967 13.704 10.827 262 HD22 ASN 36 2HD2 ASN 36 -5.378 13.437 12.484 263 H CYS 37 H CYS 37 -3.086 9.023 8.061 264 HA CYS 37 HA CYS 37 -5.182 8.412 6.122 265 HB2 CYS 37 1HB CYS 37 -2.178 8.146 6.060 266 HB3 CYS 37 2HB CYS 37 -3.210 7.476 4.803 267 HG CYS 37 HG CYS 37 -2.850 10.782 5.598 268 H ASP 38 H ASP 38 -5.766 6.335 5.530 269 HA ASP 38 HA ASP 38 -5.170 4.285 7.533 270 HB2 ASP 38 1HB ASP 38 -7.359 4.560 5.474 271 HB3 ASP 38 2HB ASP 38 -7.104 3.080 6.395 272 H TYR 39 H TYR 39 -4.041 2.489 7.091 273 HA TYR 39 HA TYR 39 -3.296 1.995 4.283 274 HB2 TYR 39 1HB TYR 39 -1.144 1.072 5.204 275 HB3 TYR 39 2HB TYR 39 -1.346 2.809 5.407 276 HD1 TYR 39 HD2 TYR 39 -1.212 -0.426 7.122 277 HD2 TYR 39 HD1 TYR 39 -1.658 3.777 7.609 278 HE1 TYR 39 HE2 TYR 39 -0.811 -0.670 9.536 279 HE2 TYR 39 HE1 TYR 39 -1.257 3.545 10.025 280 HH TYR 39 HH TYR 39 -0.123 1.928 11.556 281 H GLU 40 H GLU 40 -3.314 -0.095 3.550 282 HA GLU 40 HA GLU 40 -3.973 -2.229 5.443 283 HB2 GLU 40 1HB GLU 40 -5.570 -1.546 2.971 284 HB3 GLU 40 2HB GLU 40 -5.718 -3.067 3.839 285 HG2 GLU 40 1HG GLU 40 -6.164 -0.391 5.127 286 HG3 GLU 40 2HG GLU 40 -7.448 -1.328 4.367 287 H GLN 41 H GLN 41 -3.050 -4.151 4.973 288 HA GLN 41 HA GLN 41 -1.004 -4.248 3.010 289 HB2 GLN 41 1HB GLN 41 -1.098 -5.496 5.236 290 HB3 GLN 41 2HB GLN 41 -2.170 -6.635 4.432 291 HG2 GLN 41 1HG GLN 41 -0.505 -7.431 3.046 292 HG3 GLN 41 2HG GLN 41 0.485 -5.985 3.235 293 HE21 GLN 41 1HE2 GLN 41 2.196 -7.549 3.624 294 HE22 GLN 41 2HE2 GLN 41 2.405 -8.186 5.215 295 H ARG 42 H ARG 42 -1.715 -4.076 0.937 296 HA ARG 42 HA ARG 42 -3.939 -5.669 -0.008 297 HB2 ARG 42 1HB ARG 42 -2.210 -3.522 -1.145 298 HB3 ARG 42 2HB ARG 42 -3.030 -4.604 -2.264 299 HG2 ARG 42 1HG ARG 42 -4.482 -3.127 -0.090 300 HG3 ARG 42 2HG ARG 42 -4.216 -2.448 -1.698 301 HD2 ARG 42 1HD ARG 42 -5.390 -4.339 -2.698 302 HD3 ARG 42 2HD ARG 42 -5.630 -5.045 -1.100 303 HE ARG 42 HE ARG 42 -6.730 -2.528 -0.969 304 HH11 ARG 42 1HH1 ARG 42 -7.209 -5.391 -2.891 305 HH12 ARG 42 2HH1 ARG 42 -8.895 -5.092 -3.152 306 HH21 ARG 42 1HH2 ARG 42 -8.949 -2.123 -1.306 307 HH22 ARG 42 2HH2 ARG 42 -9.884 -3.232 -2.251 308 H GLU 43 H GLU 43 -0.466 -5.405 -0.758 309 HA GLU 43 HA GLU 43 -0.548 -8.209 -1.651 310 HB2 GLU 43 1HB GLU 43 1.040 -5.962 -2.904 311 HB3 GLU 43 2HB GLU 43 1.146 -7.656 -3.360 312 HG2 GLU 43 1HG GLU 43 -1.520 -6.355 -3.430 313 HG3 GLU 43 2HG GLU 43 -0.354 -5.942 -4.686 314 H ARG 44 H ARG 44 2.012 -8.800 -2.015 315 HA ARG 44 HA ARG 44 3.047 -9.294 0.478 316 HB2 ARG 44 1HB ARG 44 3.793 -10.352 -1.657 317 HB3 ARG 44 2HB ARG 44 4.688 -8.884 -2.026 318 HG2 ARG 44 1HG ARG 44 6.102 -9.210 -0.099 319 HG3 ARG 44 2HG ARG 44 5.156 -10.618 0.390 320 HD2 ARG 44 1HD ARG 44 5.770 -11.417 -2.060 321 HD3 ARG 44 2HD ARG 44 7.126 -10.316 -1.816 322 HE ARG 44 HE ARG 44 8.016 -11.792 -0.301 323 HH11 ARG 44 1HH1 ARG 44 4.713 -12.667 -0.970 324 HH12 ARG 44 2HH1 ARG 44 4.806 -14.179 -0.130 325 HH21 ARG 44 1HH2 ARG 44 8.151 -13.780 0.809 326 HH22 ARG 44 2HH2 ARG 44 6.762 -14.811 0.883 327 H PHE 45 H PHE 45 3.826 -6.580 -1.673 328 HA PHE 45 HA PHE 45 4.841 -5.124 0.667 329 HB2 PHE 45 1HB PHE 45 6.229 -5.603 -1.943 330 HB3 PHE 45 2HB PHE 45 6.512 -4.095 -1.080 331 HD1 PHE 45 HD2 PHE 45 7.613 -4.097 1.098 332 HD2 PHE 45 HD1 PHE 45 7.075 -7.686 -1.125 333 HE1 PHE 45 HE2 PHE 45 9.279 -5.221 2.517 334 HE2 PHE 45 HE1 PHE 45 8.740 -8.817 0.292 335 HZ PHE 45 HZ PHE 45 9.845 -7.584 2.114 336 H LEU 46 H LEU 46 2.281 -4.880 -0.348 337 HA LEU 46 HA LEU 46 2.380 -2.187 -1.531 338 HB2 LEU 46 1HB LEU 46 1.648 -3.907 -3.167 339 HB3 LEU 46 2HB LEU 46 0.294 -4.286 -2.104 340 HG LEU 46 HG LEU 46 -0.522 -1.955 -2.414 341 HD11 LEU 46 1HD1 LEU 46 1.052 -1.528 -4.835 342 HD12 LEU 46 2HD1 LEU 46 1.996 -1.446 -3.348 343 HD13 LEU 46 3HD1 LEU 46 0.594 -0.397 -3.561 344 HD21 LEU 46 1HD2 LEU 46 -1.448 -2.331 -4.601 345 HD22 LEU 46 2HD2 LEU 46 -1.356 -3.872 -3.748 346 HD23 LEU 46 3HD2 LEU 46 -0.168 -3.479 -4.991 347 H LEU 47 H LEU 47 0.654 -0.774 -0.941 348 HA LEU 47 HA LEU 47 -1.031 -1.627 1.290 349 HB2 LEU 47 1HB LEU 47 0.904 0.675 1.349 350 HB3 LEU 47 2HB LEU 47 -0.457 0.541 2.461 351 HG LEU 47 HG LEU 47 1.644 -1.599 2.249 352 HD11 LEU 47 1HD1 LEU 47 2.241 0.965 2.974 353 HD12 LEU 47 2HD1 LEU 47 3.102 -0.475 3.516 354 HD13 LEU 47 3HD1 LEU 47 1.834 0.225 4.523 355 HD21 LEU 47 1HD2 LEU 47 -0.267 -0.822 4.450 356 HD22 LEU 47 2HD2 LEU 47 0.863 -2.176 4.474 357 HD23 LEU 47 3HD2 LEU 47 -0.484 -2.170 3.334 358 H PHE 48 H PHE 48 -2.887 -0.331 1.618 359 HA PHE 48 HA PHE 48 -3.586 1.296 -0.728 360 HB2 PHE 48 1HB PHE 48 -4.970 -0.744 -0.192 361 HB3 PHE 48 2HB PHE 48 -5.482 0.073 1.281 362 HD1 PHE 48 HD2 PHE 48 -5.275 0.721 -2.388 363 HD2 PHE 48 HD1 PHE 48 -7.463 1.223 1.229 364 HE1 PHE 48 HE2 PHE 48 -7.079 1.834 -3.637 365 HE2 PHE 48 HE1 PHE 48 -9.271 2.336 -0.015 366 HZ PHE 48 HZ PHE 48 -9.080 2.644 -2.451 367 H CYS 49 H CYS 49 -3.006 3.346 -0.235 368 HA CYS 49 HA CYS 49 -3.435 4.456 2.389 369 HB2 CYS 49 1HB CYS 49 -2.616 5.867 -0.157 370 HB3 CYS 49 2HB CYS 49 -2.461 6.487 1.482 371 HG CYS 49 HG CYS 49 -0.685 3.935 0.064 372 H VAL 50 H VAL 50 -5.104 5.654 3.073 373 HA VAL 50 HA VAL 50 -7.037 6.640 1.088 374 HB VAL 50 HB VAL 50 -7.621 4.992 3.533 375 HG11 VAL 50 1HG1 VAL 50 -10.020 5.582 3.182 376 HG12 VAL 50 2HG1 VAL 50 -9.029 6.911 3.786 377 HG13 VAL 50 3HG1 VAL 50 -9.493 6.858 2.085 378 HG21 VAL 50 1HG2 VAL 50 -7.767 4.638 0.663 379 HG22 VAL 50 2HG2 VAL 50 -7.868 3.439 1.953 380 HG23 VAL 50 3HG2 VAL 50 -9.314 4.309 1.443 381 H HIS 51 H HIS 51 -7.203 8.765 1.287 382 HA HIS 51 HA HIS 51 -7.211 9.939 3.982 383 HB2 HIS 51 1HB HIS 51 -4.997 10.229 2.726 384 HB3 HIS 51 2HB HIS 51 -5.882 11.298 1.642 385 HD1 HIS 51 HD1 HIS 51 -5.171 13.591 2.244 386 HD2 HIS 51 HD2 HIS 51 -5.923 11.269 5.606 387 HE1 HIS 51 HE1 HIS 51 -4.911 15.144 4.205 388 HE2 HIS 51 HE2 HIS 51 -5.286 13.697 6.232 389 H GLY 52 H GLY 52 -8.277 12.032 4.112 390 HA2 GLY 52 1HA GLY 52 -10.435 12.228 2.116 391 HA3 GLY 52 2HA GLY 52 -10.544 12.775 3.783 392 H ASP 53 H ASP 53 -8.425 14.346 4.162 393 HA ASP 53 HA ASP 53 -7.981 16.596 3.956 394 HB2 ASP 53 1HB ASP 53 -6.223 15.575 2.621 395 HB3 ASP 53 2HB ASP 53 -7.277 15.538 1.211 396 H GLY 54 H GLY 54 -10.755 15.927 3.398 397 HA2 GLY 54 1HA GLY 54 -11.731 18.365 2.542 398 HA3 GLY 54 2HA GLY 54 -11.644 17.363 1.100 399 H HIS 55 H HIS 55 -13.723 16.920 0.664 400 HA HIS 55 HA HIS 55 -15.480 16.050 2.838 401 HB2 HIS 55 1HB HIS 55 -15.983 16.984 0.020 402 HB3 HIS 55 2HB HIS 55 -17.235 16.172 0.955 403 HD1 HIS 55 HD1 HIS 55 -18.694 17.695 2.238 404 HD2 HIS 55 HD2 HIS 55 -14.962 19.375 1.525 405 HE1 HIS 55 HE1 HIS 55 -18.812 20.021 3.186 406 HE2 HIS 55 HE2 HIS 55 -16.572 21.047 2.667 407 H ALA 56 H ALA 56 -16.927 14.197 2.428 408 HA ALA 56 HA ALA 56 -15.570 11.847 1.962 409 HB1 ALA 56 1HB ALA 56 -17.761 10.763 1.803 410 HB2 ALA 56 2HB ALA 56 -17.705 11.932 3.123 411 HB3 ALA 56 3HB ALA 56 -18.525 12.342 1.616 412 H GLU 57 H GLU 57 -17.731 13.547 -0.306 413 HA GLU 57 HA GLU 57 -17.453 11.789 -2.454 414 HB2 GLU 57 1HB GLU 57 -19.100 13.710 -2.204 415 HB3 GLU 57 2HB GLU 57 -17.801 14.772 -2.727 416 HG2 GLU 57 1HG GLU 57 -17.637 13.494 -4.825 417 HG3 GLU 57 2HG GLU 57 -18.998 12.504 -4.301 418 H ASN 58 H ASN 58 -15.161 13.844 -1.062 419 HA ASN 58 HA ASN 58 -13.524 13.861 -3.505 420 HB2 ASN 58 1HB ASN 58 -13.452 15.573 -1.021 421 HB3 ASN 58 2HB ASN 58 -12.137 15.555 -2.193 422 HD21 ASN 58 1HD2 ASN 58 -15.677 15.565 -2.448 423 HD22 ASN 58 2HD2 ASN 58 -15.766 16.937 -3.494 424 H LEU 59 H LEU 59 -13.904 11.550 -1.746 425 HA LEU 59 HA LEU 59 -11.583 11.216 -0.130 426 HB2 LEU 59 1HB LEU 59 -13.846 9.974 -0.046 427 HB3 LEU 59 2HB LEU 59 -13.156 8.952 -1.305 428 HG LEU 59 HG LEU 59 -12.914 7.871 0.831 429 HD11 LEU 59 1HD1 LEU 59 -10.146 8.838 0.401 430 HD12 LEU 59 2HD1 LEU 59 -10.968 8.081 -0.963 431 HD13 LEU 59 3HD1 LEU 59 -10.765 7.193 0.547 432 HD21 LEU 59 1HD2 LEU 59 -13.028 9.885 2.233 433 HD22 LEU 59 2HD2 LEU 59 -11.401 10.327 1.715 434 HD23 LEU 59 3HD2 LEU 59 -11.658 8.858 2.658 435 H VAL 60 H VAL 60 -9.578 10.766 -0.740 436 HA VAL 60 HA VAL 60 -9.104 9.901 -3.502 437 HB VAL 60 HB VAL 60 -7.360 11.260 -1.465 438 HG11 VAL 60 1HG1 VAL 60 -5.708 11.079 -3.568 439 HG12 VAL 60 2HG1 VAL 60 -5.701 9.924 -2.234 440 HG13 VAL 60 3HG1 VAL 60 -6.554 9.540 -3.729 441 HG21 VAL 60 1HG2 VAL 60 -7.850 13.081 -2.636 442 HG22 VAL 60 2HG2 VAL 60 -7.242 12.330 -4.111 443 HG23 VAL 60 3HG2 VAL 60 -8.931 12.122 -3.647 444 H GLN 61 H GLN 61 -7.951 8.076 -4.006 445 HA GLN 61 HA GLN 61 -6.957 6.411 -1.812 446 HB2 GLN 61 1HB GLN 61 -8.940 5.541 -3.915 447 HB3 GLN 61 2HB GLN 61 -8.010 4.409 -2.942 448 HG2 GLN 61 1HG GLN 61 -9.019 5.288 -0.917 449 HG3 GLN 61 2HG GLN 61 -9.918 6.472 -1.864 450 HE21 GLN 61 1HE2 GLN 61 -10.660 4.120 -0.099 451 HE22 GLN 61 2HE2 GLN 61 -11.794 3.228 -1.049 452 H TRP 62 H TRP 62 -5.017 5.587 -2.241 453 HA TRP 62 HA TRP 62 -4.249 4.906 -4.952 454 HB2 TRP 62 1HB TRP 62 -2.411 6.366 -5.150 455 HB3 TRP 62 2HB TRP 62 -3.718 7.384 -4.551 456 HD1 TRP 62 HD1 TRP 62 -0.237 6.286 -3.747 457 HE1 TRP 62 HE1 TRP 62 0.501 7.293 -1.496 458 HE3 TRP 62 HE3 TRP 62 -4.758 8.029 -2.114 459 HZ2 TRP 62 HZ2 TRP 62 -0.677 8.646 0.683 460 HZ3 TRP 62 HZ3 TRP 62 -4.866 9.168 0.064 461 HH2 TRP 62 HH2 TRP 62 -2.867 9.468 1.433 462 H GLU 63 H GLU 63 -2.727 3.313 -5.036 463 HA GLU 63 HA GLU 63 -1.971 2.133 -2.476 464 HB2 GLU 63 1HB GLU 63 -1.743 1.058 -5.293 465 HB3 GLU 63 2HB GLU 63 -1.318 0.171 -3.836 466 HG2 GLU 63 1HG GLU 63 -3.488 -0.172 -3.239 467 HG3 GLU 63 2HG GLU 63 -4.055 1.297 -4.030 468 H MET 64 H MET 64 0.252 1.077 -2.418 469 HA MET 64 HA MET 64 2.300 2.542 -3.879 470 HB2 MET 64 1HB MET 64 1.874 2.720 -0.915 471 HB3 MET 64 2HB MET 64 3.493 2.867 -1.585 472 HG2 MET 64 1HG MET 64 2.906 4.802 -2.816 473 HG3 MET 64 2HG MET 64 1.191 4.571 -2.484 474 HE1 MET 64 1HE MET 64 4.669 5.894 -0.865 475 HE2 MET 64 2HE MET 64 4.239 5.561 0.813 476 HE3 MET 64 3HE MET 64 4.338 4.239 -0.352 477 H GLU 65 H GLU 65 3.455 0.937 -4.723 478 HA GLU 65 HA GLU 65 4.043 -1.408 -3.042 479 HB2 GLU 65 1HB GLU 65 2.951 -2.272 -4.894 480 HB3 GLU 65 2HB GLU 65 3.627 -1.071 -5.984 481 HG2 GLU 65 1HG GLU 65 5.772 -2.165 -5.933 482 HG3 GLU 65 2HG GLU 65 5.190 -3.316 -4.731 483 H VAL 66 H VAL 66 6.066 -1.693 -2.386 484 HA VAL 66 HA VAL 66 8.143 0.101 -3.254 485 HB VAL 66 HB VAL 66 8.297 -2.242 -1.353 486 HG11 VAL 66 1HG1 VAL 66 10.500 -1.871 -1.906 487 HG12 VAL 66 2HG1 VAL 66 10.251 -0.148 -2.191 488 HG13 VAL 66 3HG1 VAL 66 10.300 -0.772 -0.542 489 HG21 VAL 66 1HG2 VAL 66 7.773 -0.842 0.385 490 HG22 VAL 66 2HG2 VAL 66 8.313 0.603 -0.470 491 HG23 VAL 66 3HG2 VAL 66 6.773 -0.146 -0.891 492 H CYS 67 H CYS 67 9.473 -0.236 -4.899 493 HA CYS 67 HA CYS 67 10.447 -2.903 -5.491 494 HB2 CYS 67 1HB CYS 67 8.582 -1.399 -7.268 495 HB3 CYS 67 2HB CYS 67 9.886 -2.309 -8.020 496 HG CYS 67 HG CYS 67 8.030 -3.960 -5.736 497 H LYS 68 H LYS 68 12.333 -2.918 -6.782 498 HA LYS 68 HA LYS 68 13.920 -0.540 -6.518 499 HB2 LYS 68 1HB LYS 68 14.401 -3.340 -7.439 500 HB3 LYS 68 2HB LYS 68 15.561 -2.097 -7.887 501 HG2 LYS 68 1HG LYS 68 15.729 -1.522 -5.446 502 HG3 LYS 68 2HG LYS 68 14.779 -2.974 -5.120 503 HD2 LYS 68 1HD LYS 68 16.479 -4.335 -6.239 504 HD3 LYS 68 2HD LYS 68 17.426 -2.883 -6.569 505 HE2 LYS 68 1HE LYS 68 17.644 -2.489 -4.159 506 HE3 LYS 68 2HE LYS 68 16.709 -3.949 -3.839 507 HZ1 LYS 68 1HZ LYS 68 18.434 -5.239 -4.953 508 HZ2 LYS 68 2HZ LYS 68 19.065 -4.381 -3.639 509 HZ3 LYS 68 3HZ LYS 68 19.338 -3.833 -5.216 510 H LEU 69 H LEU 69 14.598 0.853 -8.076 511 HA LEU 69 HA LEU 69 13.071 0.975 -10.497 512 HB2 LEU 69 1HB LEU 69 15.455 2.635 -9.698 513 HB3 LEU 69 2HB LEU 69 14.260 3.026 -10.933 514 HG LEU 69 HG LEU 69 13.416 2.697 -8.080 515 HD11 LEU 69 1HD1 LEU 69 14.330 5.323 -9.211 516 HD12 LEU 69 2HD1 LEU 69 15.397 4.281 -8.271 517 HD13 LEU 69 3HD1 LEU 69 13.925 4.922 -7.542 518 HD21 LEU 69 1HD2 LEU 69 12.377 4.024 -10.550 519 HD22 LEU 69 2HD2 LEU 69 11.862 4.584 -8.958 520 HD23 LEU 69 3HD2 LEU 69 11.564 2.914 -9.445 521 HA PRO 70 HA PRO 70 15.824 -1.445 -12.983 522 HB2 PRO 70 1HB PRO 70 14.722 -0.830 -15.387 523 HB3 PRO 70 2HB PRO 70 13.974 -1.954 -14.246 524 HG2 PRO 70 1HG PRO 70 13.356 0.933 -14.742 525 HG3 PRO 70 2HG PRO 70 12.241 -0.425 -14.505 526 HD2 PRO 70 1HD PRO 70 12.841 1.329 -12.532 527 HD3 PRO 70 2HD PRO 70 12.472 -0.378 -12.213 528 H ARG 71 H ARG 71 15.631 1.919 -12.877 529 HA ARG 71 HA ARG 71 17.717 2.273 -14.911 530 HB2 ARG 71 1HB ARG 71 15.715 4.100 -13.645 531 HB3 ARG 71 2HB ARG 71 17.203 4.780 -14.291 532 HG2 ARG 71 1HG ARG 71 15.644 2.943 -16.025 533 HG3 ARG 71 2HG ARG 71 15.017 4.569 -15.749 534 HD2 ARG 71 1HD ARG 71 16.330 4.768 -17.676 535 HD3 ARG 71 2HD ARG 71 17.353 5.386 -16.379 536 HE ARG 71 HE ARG 71 18.771 3.593 -16.671 537 HH11 ARG 71 1HH1 ARG 71 15.844 3.104 -18.491 538 HH12 ARG 71 2HH1 ARG 71 16.463 1.746 -19.371 539 HH21 ARG 71 1HH2 ARG 71 19.598 1.806 -17.822 540 HH22 ARG 71 2HH2 ARG 71 18.598 1.008 -18.989 541 H LEU 72 H LEU 72 16.966 3.556 -11.664 542 HA LEU 72 HA LEU 72 19.818 3.944 -11.186 543 HB2 LEU 72 1HB LEU 72 17.430 4.714 -9.514 544 HB3 LEU 72 2HB LEU 72 19.105 5.149 -9.176 545 HG LEU 72 HG LEU 72 18.968 6.272 -11.543 546 HD11 LEU 72 1HD1 LEU 72 16.772 5.434 -12.130 547 HD12 LEU 72 2HD1 LEU 72 16.736 7.191 -11.988 548 HD13 LEU 72 3HD1 LEU 72 16.076 6.190 -10.696 549 HD21 LEU 72 1HD2 LEU 72 18.082 7.220 -8.874 550 HD22 LEU 72 2HD2 LEU 72 17.791 8.273 -10.259 551 HD23 LEU 72 3HD2 LEU 72 19.433 7.751 -9.876 552 H SER 73 H SER 73 20.645 3.370 -8.975 553 HA SER 73 HA SER 73 19.829 0.628 -8.361 554 HB2 SER 73 1HB SER 73 22.259 1.312 -8.870 555 HB3 SER 73 2HB SER 73 22.261 2.023 -7.256 556 HG SER 73 HG SER 73 21.463 -0.649 -7.689 557 H LEU 74 H LEU 74 17.918 2.103 -7.409 558 HA LEU 74 HA LEU 74 18.307 1.998 -4.526 559 HB2 LEU 74 1HB LEU 74 17.198 4.446 -5.890 560 HB3 LEU 74 2HB LEU 74 17.349 4.194 -4.152 561 HG LEU 74 HG LEU 74 19.911 3.945 -4.781 562 HD11 LEU 74 1HD1 LEU 74 19.317 4.229 -7.232 563 HD12 LEU 74 2HD1 LEU 74 20.613 5.248 -6.607 564 HD13 LEU 74 3HD1 LEU 74 19.002 5.922 -6.851 565 HD21 LEU 74 1HD2 LEU 74 18.796 5.600 -3.262 566 HD22 LEU 74 2HD2 LEU 74 18.608 6.657 -4.661 567 HD23 LEU 74 3HD2 LEU 74 20.221 6.205 -4.108 568 H ASN 75 H ASN 75 16.340 1.862 -3.334 569 HA ASN 75 HA ASN 75 14.242 0.540 -4.802 570 HB2 ASN 75 1HB ASN 75 14.378 1.229 -1.858 571 HB3 ASN 75 2HB ASN 75 13.262 0.096 -2.614 572 HD21 ASN 75 1HD2 ASN 75 13.840 -1.962 -2.747 573 HD22 ASN 75 2HD2 ASN 75 15.424 -2.581 -2.443 574 H GLY 76 H GLY 76 12.867 1.775 -5.925 575 HA2 GLY 76 1HA GLY 76 12.051 4.374 -4.870 576 HA3 GLY 76 2HA GLY 76 11.726 3.759 -6.483 577 H VAL 77 H VAL 77 9.701 4.975 -5.206 578 HA VAL 77 HA VAL 77 8.018 2.786 -4.178 579 HB VAL 77 HB VAL 77 7.785 5.768 -3.766 580 HG11 VAL 77 1HG1 VAL 77 5.842 5.235 -2.342 581 HG12 VAL 77 2HG1 VAL 77 5.566 4.842 -4.040 582 HG13 VAL 77 3HG1 VAL 77 5.929 3.560 -2.884 583 HG21 VAL 77 1HG2 VAL 77 9.484 4.497 -2.427 584 HG22 VAL 77 2HG2 VAL 77 8.250 5.320 -1.472 585 HG23 VAL 77 3HG2 VAL 77 8.150 3.578 -1.730 586 H ARG 78 H ARG 78 5.773 2.759 -4.827 587 HA ARG 78 HA ARG 78 5.400 3.826 -7.546 588 HB2 ARG 78 1HB ARG 78 5.394 1.249 -6.948 589 HB3 ARG 78 2HB ARG 78 3.732 1.590 -6.484 590 HG2 ARG 78 1HG ARG 78 3.394 1.006 -8.648 591 HG3 ARG 78 2HG ARG 78 3.687 2.732 -8.870 592 HD2 ARG 78 1HD ARG 78 5.994 0.844 -8.926 593 HD3 ARG 78 2HD ARG 78 4.940 0.951 -10.335 594 HE ARG 78 HE ARG 78 5.697 3.540 -9.537 595 HH11 ARG 78 1HH1 ARG 78 7.030 0.669 -10.987 596 HH12 ARG 78 2HH1 ARG 78 8.241 1.526 -11.881 597 HH21 ARG 78 1HH2 ARG 78 7.288 4.679 -10.710 598 HH22 ARG 78 2HH2 ARG 78 8.388 3.806 -11.722 599 H PHE 79 H PHE 79 3.479 4.829 -8.099 600 HA PHE 79 HA PHE 79 1.543 5.295 -5.941 601 HB2 PHE 79 1HB PHE 79 2.883 7.389 -7.654 602 HB3 PHE 79 2HB PHE 79 1.394 7.695 -6.765 603 HD1 PHE 79 HD2 PHE 79 4.777 6.248 -6.128 604 HD2 PHE 79 HD1 PHE 79 1.605 8.718 -4.730 605 HE1 PHE 79 HE2 PHE 79 6.093 6.797 -4.123 606 HE2 PHE 79 HE1 PHE 79 2.917 9.272 -2.724 607 HZ PHE 79 HZ PHE 79 5.163 8.310 -2.417 608 H LYS 80 H LYS 80 -0.245 4.355 -6.691 609 HA LYS 80 HA LYS 80 -0.998 4.817 -9.501 610 HB2 LYS 80 1HB LYS 80 -0.623 2.441 -8.836 611 HB3 LYS 80 2HB LYS 80 -1.934 2.598 -7.674 612 HG2 LYS 80 1HG LYS 80 -2.803 1.523 -9.604 613 HG3 LYS 80 2HG LYS 80 -3.448 3.166 -9.575 614 HD2 LYS 80 1HD LYS 80 -1.662 3.838 -11.165 615 HD3 LYS 80 2HD LYS 80 -1.157 2.149 -11.255 616 HE2 LYS 80 1HE LYS 80 -4.012 2.817 -11.775 617 HE3 LYS 80 2HE LYS 80 -2.820 3.187 -13.021 618 HZ1 LYS 80 1HZ LYS 80 -3.335 1.072 -13.604 619 HZ2 LYS 80 2HZ LYS 80 -3.731 0.594 -12.031 620 HZ3 LYS 80 3HZ LYS 80 -2.109 0.719 -12.494 621 H ARG 81 H ARG 81 -2.881 5.806 -9.961 622 HA ARG 81 HA ARG 81 -4.412 6.877 -7.728 623 HB2 ARG 81 1HB ARG 81 -3.613 8.276 -9.697 624 HB3 ARG 81 2HB ARG 81 -4.828 7.446 -10.660 625 HG2 ARG 81 1HG ARG 81 -6.562 8.267 -9.091 626 HG3 ARG 81 2HG ARG 81 -5.312 9.193 -8.259 627 HD2 ARG 81 1HD ARG 81 -6.642 10.497 -9.928 628 HD3 ARG 81 2HD ARG 81 -4.899 10.521 -10.194 629 HE ARG 81 HE ARG 81 -6.909 9.292 -11.880 630 HH11 ARG 81 1HH1 ARG 81 -3.532 9.571 -11.081 631 HH12 ARG 81 2HH1 ARG 81 -2.985 8.998 -12.622 632 HH21 ARG 81 1HH2 ARG 81 -6.202 8.536 -13.913 633 HH22 ARG 81 2HH2 ARG 81 -4.505 8.410 -14.232 634 H ILE 82 H ILE 82 -5.859 5.453 -6.956 635 HA ILE 82 HA ILE 82 -7.292 3.645 -8.683 636 HB ILE 82 HB ILE 82 -7.763 4.196 -5.753 637 HG12 ILE 82 1HG1 ILE 82 -5.525 3.477 -5.856 638 HG13 ILE 82 2HG1 ILE 82 -6.433 2.005 -5.527 639 HG21 ILE 82 1HG2 ILE 82 -8.404 1.694 -7.288 640 HG22 ILE 82 2HG2 ILE 82 -8.969 2.176 -5.689 641 HG23 ILE 82 3HG2 ILE 82 -9.552 3.023 -7.122 642 HD11 ILE 82 1HD1 ILE 82 -6.383 1.608 -8.035 643 HD12 ILE 82 2HD1 ILE 82 -5.163 2.880 -8.094 644 HD13 ILE 82 3HD1 ILE 82 -4.867 1.417 -7.155 645 H SER 83 H SER 83 -8.472 6.004 -6.280 646 HA SER 83 HA SER 83 -10.640 6.688 -8.155 647 HB2 SER 83 1HB SER 83 -10.857 6.366 -5.152 648 HB3 SER 83 2HB SER 83 -12.147 6.943 -6.207 649 HG SER 83 HG SER 83 -11.533 4.774 -7.334 650 H GLY 84 H GLY 84 -11.659 8.820 -7.672 651 HA2 GLY 84 1HA GLY 84 -11.544 11.020 -6.807 652 HA3 GLY 84 2HA GLY 84 -9.901 10.698 -6.273 653 H THR 85 H THR 85 -10.189 13.027 -7.442 654 HA THR 85 HA THR 85 -9.632 12.764 -10.297 655 HB THR 85 HB THR 85 -11.211 14.516 -9.595 656 HG1 THR 85 HG1 THR 85 -8.956 15.949 -10.452 657 HG21 THR 85 1HG2 THR 85 -10.777 15.570 -7.668 658 HG22 THR 85 2HG2 THR 85 -9.628 16.545 -8.585 659 HG23 THR 85 3HG2 THR 85 -9.074 15.116 -7.713 660 H SER 86 H SER 86 -7.836 14.108 -11.199 661 HA SER 86 HA SER 86 -5.377 13.326 -10.095 662 HB2 SER 86 1HB SER 86 -6.087 15.355 -12.214 663 HB3 SER 86 2HB SER 86 -4.419 14.992 -11.774 664 HG SER 86 HG SER 86 -4.566 13.322 -13.021 665 H ILE 87 H ILE 87 -6.862 16.561 -10.266 666 HA ILE 87 HA ILE 87 -5.003 18.091 -9.014 667 HB ILE 87 HB ILE 87 -7.996 18.181 -8.653 668 HG12 ILE 87 1HG1 ILE 87 -6.177 19.955 -10.289 669 HG13 ILE 87 2HG1 ILE 87 -7.003 18.546 -10.944 670 HG21 ILE 87 1HG2 ILE 87 -7.449 20.623 -8.005 671 HG22 ILE 87 2HG2 ILE 87 -7.275 19.357 -6.790 672 HG23 ILE 87 3HG2 ILE 87 -5.850 19.989 -7.615 673 HD11 ILE 87 1HD1 ILE 87 -9.089 19.831 -9.861 674 HD12 ILE 87 2HD1 ILE 87 -8.050 21.203 -10.245 675 HD13 ILE 87 3HD1 ILE 87 -8.536 20.082 -11.517 676 H ALA 88 H ALA 88 -7.406 16.031 -7.407 677 HA ALA 88 HA ALA 88 -6.460 16.677 -4.775 678 HB1 ALA 88 1HB ALA 88 -8.058 15.060 -3.989 679 HB2 ALA 88 2HB ALA 88 -8.806 16.038 -5.252 680 HB3 ALA 88 3HB ALA 88 -8.252 14.403 -5.615 681 H PHE 89 H PHE 89 -6.145 13.907 -6.967 682 HA PHE 89 HA PHE 89 -4.807 12.141 -5.320 683 HB2 PHE 89 1HB PHE 89 -5.511 11.404 -7.478 684 HB3 PHE 89 2HB PHE 89 -4.542 12.632 -8.286 685 HD1 PHE 89 HD1 PHE 89 -3.727 10.166 -5.611 686 HD2 PHE 89 HD2 PHE 89 -2.930 11.585 -9.544 687 HE1 PHE 89 HE1 PHE 89 -1.871 8.563 -5.809 688 HE2 PHE 89 HE2 PHE 89 -1.073 9.984 -9.749 689 HZ PHE 89 HZ PHE 89 -0.542 8.470 -7.881 690 H LYS 90 H LYS 90 -3.478 14.790 -7.256 691 HA LYS 90 HA LYS 90 -0.761 14.265 -6.614 692 HB2 LYS 90 1HB LYS 90 -1.862 15.745 -8.504 693 HB3 LYS 90 2HB LYS 90 -1.699 17.018 -7.302 694 HG2 LYS 90 1HG LYS 90 0.668 15.323 -7.902 695 HG3 LYS 90 2HG LYS 90 0.185 16.554 -9.071 696 HD2 LYS 90 1HD LYS 90 0.520 17.195 -6.157 697 HD3 LYS 90 2HD LYS 90 1.889 17.212 -7.271 698 HE2 LYS 90 1HE LYS 90 -0.639 18.753 -7.795 699 HE3 LYS 90 2HE LYS 90 0.700 19.425 -6.865 700 HZ1 LYS 90 1HZ LYS 90 0.531 19.785 -9.435 701 HZ2 LYS 90 2HZ LYS 90 1.272 18.266 -9.495 702 HZ3 LYS 90 3HZ LYS 90 2.033 19.546 -8.694 703 H ASN 91 H ASN 91 -3.186 16.489 -5.292 704 HA ASN 91 HA ASN 91 -1.701 17.966 -3.542 705 HB2 ASN 91 1HB ASN 91 -4.495 16.942 -3.508 706 HB3 ASN 91 2HB ASN 91 -3.867 17.620 -2.009 707 HD21 ASN 91 1HD2 ASN 91 -5.864 18.970 -2.826 708 HD22 ASN 91 2HD2 ASN 91 -5.434 20.420 -3.662 709 H ILE 92 H ILE 92 -3.559 15.198 -2.308 710 HA ILE 92 HA ILE 92 -2.272 14.857 0.072 711 HB ILE 92 HB ILE 92 -4.198 13.544 -0.331 712 HG12 ILE 92 1HG1 ILE 92 -3.498 11.330 0.334 713 HG13 ILE 92 2HG1 ILE 92 -1.891 11.588 -0.336 714 HG21 ILE 92 1HG2 ILE 92 -3.445 13.369 -2.880 715 HG22 ILE 92 2HG2 ILE 92 -2.950 11.765 -2.342 716 HG23 ILE 92 3HG2 ILE 92 -4.629 12.274 -2.164 717 HD11 ILE 92 1HD1 ILE 92 -1.628 13.445 1.349 718 HD12 ILE 92 2HD1 ILE 92 -3.105 12.842 2.103 719 HD13 ILE 92 3HD1 ILE 92 -1.683 11.804 1.994 720 H ALA 93 H ALA 93 -1.328 13.464 -3.051 721 HA ALA 93 HA ALA 93 0.773 11.860 -2.252 722 HB1 ALA 93 1HB ALA 93 0.319 11.598 -4.472 723 HB2 ALA 93 2HB ALA 93 0.129 13.329 -4.753 724 HB3 ALA 93 3HB ALA 93 1.742 12.635 -4.584 725 H SER 94 H SER 94 0.794 15.336 -2.948 726 HA SER 94 HA SER 94 3.532 15.793 -2.734 727 HB2 SER 94 1HB SER 94 3.016 18.042 -2.737 728 HB3 SER 94 2HB SER 94 1.506 17.380 -3.362 729 HG SER 94 HG SER 94 2.088 18.356 -0.785 730 H LYS 95 H LYS 95 1.352 14.796 -0.355 731 HA LYS 95 HA LYS 95 2.894 15.899 1.860 732 HB2 LYS 95 1HB LYS 95 0.489 14.076 1.983 733 HB3 LYS 95 2HB LYS 95 1.161 15.037 3.293 734 HG2 LYS 95 1HG LYS 95 0.211 16.407 0.824 735 HG3 LYS 95 2HG LYS 95 -0.965 15.836 2.010 736 HD2 LYS 95 1HD LYS 95 1.392 17.488 2.850 737 HD3 LYS 95 2HD LYS 95 -0.067 18.250 2.212 738 HE2 LYS 95 1HE LYS 95 -0.260 16.234 4.414 739 HE3 LYS 95 2HE LYS 95 0.197 17.898 4.777 740 HZ1 LYS 95 1HZ LYS 95 -2.135 17.573 3.080 741 HZ2 LYS 95 2HZ LYS 95 -1.866 18.648 4.357 742 HZ3 LYS 95 3HZ LYS 95 -2.321 17.051 4.679 743 H ILE 96 H ILE 96 2.381 12.901 0.162 744 HA ILE 96 HA ILE 96 3.662 11.261 2.149 745 HB ILE 96 HB ILE 96 3.164 10.547 -0.738 746 HG12 ILE 96 1HG1 ILE 96 1.109 11.395 0.466 747 HG13 ILE 96 2HG1 ILE 96 0.996 9.745 -0.136 748 HG21 ILE 96 1HG2 ILE 96 3.286 8.772 1.691 749 HG22 ILE 96 2HG2 ILE 96 3.249 8.283 -0.002 750 HG23 ILE 96 3HG2 ILE 96 4.670 9.100 0.649 751 HD11 ILE 96 1HD1 ILE 96 0.179 10.365 2.266 752 HD12 ILE 96 2HD1 ILE 96 1.007 8.838 1.962 753 HD13 ILE 96 3HD1 ILE 96 1.888 10.195 2.665 754 H ALA 97 H ALA 97 4.540 12.115 -1.206 755 HA ALA 97 HA ALA 97 7.076 11.116 -1.312 756 HB1 ALA 97 1HB ALA 97 5.756 13.448 -2.592 757 HB2 ALA 97 2HB ALA 97 7.504 13.288 -2.759 758 HB3 ALA 97 3HB ALA 97 6.443 11.995 -3.318 759 H ASN 98 H ASN 98 6.138 14.310 -0.057 760 HA ASN 98 HA ASN 98 8.775 15.080 0.655 761 HB2 ASN 98 1HB ASN 98 6.808 16.629 0.285 762 HB3 ASN 98 2HB ASN 98 6.213 16.128 1.865 763 HD21 ASN 98 1HD2 ASN 98 7.309 16.767 3.715 764 HD22 ASN 98 2HD2 ASN 98 8.473 18.044 3.698 765 H GLU 99 H GLU 99 6.034 14.420 2.840 766 HA GLU 99 HA GLU 99 7.204 14.265 5.231 767 HB2 GLU 99 1HB GLU 99 5.171 12.387 4.046 768 HB3 GLU 99 2HB GLU 99 5.677 12.260 5.725 769 HG2 GLU 99 1HG GLU 99 4.671 14.849 4.618 770 HG3 GLU 99 2HG GLU 99 3.557 13.596 5.162 771 H LEU 100 H LEU 100 7.167 11.504 2.976 772 HA LEU 100 HA LEU 100 8.555 9.631 4.355 773 HB2 LEU 100 1HB LEU 100 8.751 10.396 1.456 774 HB3 LEU 100 2HB LEU 100 9.596 8.997 2.117 775 HG LEU 100 HG LEU 100 6.612 9.325 2.322 776 HD11 LEU 100 1HD1 LEU 100 6.682 9.217 0.060 777 HD12 LEU 100 2HD1 LEU 100 6.857 7.495 0.400 778 HD13 LEU 100 3HD1 LEU 100 8.280 8.470 0.031 779 HD21 LEU 100 1HD2 LEU 100 7.182 7.666 3.796 780 HD22 LEU 100 2HD2 LEU 100 8.598 7.172 2.867 781 HD23 LEU 100 3HD2 LEU 100 6.981 6.723 2.319 782 H LYS 101 H LYS 101 10.253 9.981 5.640 783 HA LYS 101 HA LYS 101 12.369 11.807 4.837 784 HB2 LYS 101 1HB LYS 101 11.561 10.455 7.362 785 HB3 LYS 101 2HB LYS 101 13.260 10.873 7.175 786 HG2 LYS 101 1HG LYS 101 12.313 13.216 6.522 787 HG3 LYS 101 2HG LYS 101 10.880 12.654 7.386 788 HD2 LYS 101 1HD LYS 101 13.671 12.673 8.532 789 HD3 LYS 101 2HD LYS 101 12.468 13.935 8.808 790 HE2 LYS 101 1HE LYS 101 12.153 12.627 10.667 791 HE3 LYS 101 2HE LYS 101 10.977 11.916 9.562 792 HZ1 LYS 101 1HZ LYS 101 12.007 9.983 9.749 793 HZ2 LYS 101 2HZ LYS 101 13.111 10.656 10.839 794 HZ3 LYS 101 3HZ LYS 101 13.454 10.653 9.183 795 H LEU 102 H LEU 102 12.521 9.963 3.020 796 HA LEU 102 HA LEU 102 14.343 7.847 3.876 797 HB2 LEU 102 1HB LEU 102 13.049 8.393 1.209 798 HB3 LEU 102 2HB LEU 102 14.091 7.017 1.564 799 HG LEU 102 HG LEU 102 11.593 7.456 3.153 800 HD11 LEU 102 1HD1 LEU 102 10.393 6.027 1.543 801 HD12 LEU 102 2HD1 LEU 102 11.767 6.144 0.444 802 HD13 LEU 102 3HD1 LEU 102 10.846 7.589 0.861 803 HD21 LEU 102 1HD2 LEU 102 13.237 5.055 2.365 804 HD22 LEU 102 2HD2 LEU 102 11.703 4.968 3.232 805 HD23 LEU 102 3HD2 LEU 102 13.089 5.773 3.970 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 11.942 9.704 -30.320 2 HA2 GLY 1 1HA GLY 1 14.400 9.024 -31.214 3 HA3 GLY 1 2HA GLY 1 13.819 7.513 -30.530 4 H SER 2 H SER 2 11.788 6.647 -31.381 5 HA SER 2 HA SER 2 10.999 7.641 -34.008 6 HB2 SER 2 1HB SER 2 12.864 5.973 -34.333 7 HB3 SER 2 2HB SER 2 11.808 4.752 -33.623 8 HG SER 2 HG SER 2 11.660 4.748 -35.893 9 H SER 3 H SER 3 9.147 6.220 -34.883 10 HA SER 3 HA SER 3 7.057 6.263 -32.985 11 HB2 SER 3 1HB SER 3 5.653 5.397 -34.755 12 HB3 SER 3 2HB SER 3 6.763 6.579 -35.449 13 HG SER 3 HG SER 3 6.927 3.753 -35.580 14 H GLY 4 H GLY 4 5.900 4.594 -32.010 15 HA2 GLY 4 1HA GLY 4 5.987 1.917 -32.288 16 HA3 GLY 4 2HA GLY 4 7.481 2.239 -31.421 17 H SER 5 H SER 5 6.665 0.982 -29.671 18 HA SER 5 HA SER 5 5.014 2.567 -27.862 19 HB2 SER 5 1HB SER 5 4.275 -0.117 -28.951 20 HB3 SER 5 2HB SER 5 3.868 0.253 -27.276 21 HG SER 5 HG SER 5 2.856 2.199 -28.137 22 H SER 6 H SER 6 5.603 2.382 -25.761 23 HA SER 6 HA SER 6 7.203 0.145 -24.851 24 HB2 SER 6 1HB SER 6 8.319 2.935 -25.104 25 HB3 SER 6 2HB SER 6 8.976 1.769 -23.956 26 HG SER 6 HG SER 6 9.511 1.987 -26.535 27 H GLY 7 H GLY 7 7.505 0.129 -22.536 28 HA2 GLY 7 1HA GLY 7 5.722 1.989 -21.097 29 HA3 GLY 7 2HA GLY 7 5.627 0.255 -20.825 30 H ARG 8 H ARG 8 7.976 2.929 -20.763 31 HA ARG 8 HA ARG 8 9.635 1.516 -18.860 32 HB2 ARG 8 1HB ARG 8 9.897 4.364 -19.833 33 HB3 ARG 8 2HB ARG 8 11.131 3.404 -19.029 34 HG2 ARG 8 1HG ARG 8 9.951 2.556 -21.650 35 HG3 ARG 8 2HG ARG 8 11.294 3.697 -21.560 36 HD2 ARG 8 1HD ARG 8 12.290 1.586 -21.842 37 HD3 ARG 8 2HD ARG 8 12.475 1.963 -20.130 38 HE ARG 8 HE ARG 8 10.105 0.477 -20.581 39 HH11 ARG 8 1HH1 ARG 8 13.567 0.155 -20.414 40 HH12 ARG 8 2HH1 ARG 8 13.520 -1.508 -19.932 41 HH21 ARG 8 1HH2 ARG 8 10.030 -1.713 -19.947 42 HH22 ARG 8 2HH2 ARG 8 11.507 -2.570 -19.667 43 H PHE 9 H PHE 9 7.721 4.517 -18.884 44 HA PHE 9 HA PHE 9 7.610 4.352 -15.944 45 HB2 PHE 9 1HB PHE 9 7.286 6.881 -16.054 46 HB3 PHE 9 2HB PHE 9 8.900 6.279 -16.416 47 HD1 PHE 9 HD1 PHE 9 9.683 6.192 -18.766 48 HD2 PHE 9 HD2 PHE 9 6.014 8.049 -17.669 49 HE1 PHE 9 HE1 PHE 9 9.645 7.380 -20.920 50 HE2 PHE 9 HE2 PHE 9 5.970 9.240 -19.822 51 HZ PHE 9 HZ PHE 9 7.786 8.905 -21.451 52 H THR 10 H THR 10 5.669 3.324 -15.737 53 HA THR 10 HA THR 10 3.375 3.827 -17.287 54 HB THR 10 HB THR 10 3.515 2.726 -14.473 55 HG1 THR 10 HG1 THR 10 3.271 1.224 -16.864 56 HG21 THR 10 1HG2 THR 10 1.269 3.556 -15.643 57 HG22 THR 10 2HG2 THR 10 1.325 2.107 -14.638 58 HG23 THR 10 3HG2 THR 10 1.384 1.965 -16.395 59 H TRP 11 H TRP 11 4.054 4.802 -13.920 60 HA TRP 11 HA TRP 11 2.290 7.123 -14.351 61 HB2 TRP 11 1HB TRP 11 1.951 6.924 -11.779 62 HB3 TRP 11 2HB TRP 11 1.060 5.841 -12.845 63 HD1 TRP 11 HD1 TRP 11 4.676 5.494 -11.468 64 HE1 TRP 11 HE1 TRP 11 4.857 3.207 -10.301 65 HE3 TRP 11 HE3 TRP 11 -0.159 3.921 -12.009 66 HZ2 TRP 11 HZ2 TRP 11 3.174 1.025 -9.692 67 HZ3 TRP 11 HZ3 TRP 11 -0.791 1.721 -11.106 68 HH2 TRP 11 HH2 TRP 11 0.843 0.304 -9.972 69 H SER 12 H SER 12 2.722 8.724 -12.358 70 HA SER 12 HA SER 12 5.313 9.766 -12.793 71 HB2 SER 12 1HB SER 12 3.515 11.275 -12.256 72 HB3 SER 12 2HB SER 12 3.206 10.445 -10.731 73 HG SER 12 HG SER 12 4.422 12.185 -10.200 74 H MET 13 H MET 13 7.166 9.641 -11.638 75 HA MET 13 HA MET 13 7.249 8.611 -8.962 76 HB2 MET 13 1HB MET 13 7.100 6.619 -10.698 77 HB3 MET 13 2HB MET 13 8.817 6.952 -10.886 78 HG2 MET 13 1HG MET 13 7.389 6.210 -8.345 79 HG3 MET 13 2HG MET 13 8.505 5.207 -9.270 80 HE1 MET 13 1HE MET 13 7.750 7.212 -6.622 81 HE2 MET 13 2HE MET 13 9.205 6.883 -5.680 82 HE3 MET 13 3HE MET 13 8.959 8.477 -6.396 83 H LYS 14 H LYS 14 8.574 10.107 -8.155 84 HA LYS 14 HA LYS 14 11.106 10.623 -9.574 85 HB2 LYS 14 1HB LYS 14 11.054 12.884 -8.481 86 HB3 LYS 14 2HB LYS 14 9.807 12.624 -9.693 87 HG2 LYS 14 1HG LYS 14 8.353 11.929 -7.647 88 HG3 LYS 14 2HG LYS 14 9.553 12.844 -6.731 89 HD2 LYS 14 1HD LYS 14 8.113 13.965 -9.126 90 HD3 LYS 14 2HD LYS 14 7.506 14.130 -7.476 91 HE2 LYS 14 1HE LYS 14 10.302 14.951 -8.169 92 HE3 LYS 14 2HE LYS 14 8.944 16.029 -8.490 93 HZ1 LYS 14 1HZ LYS 14 9.104 16.674 -6.390 94 HZ2 LYS 14 2HZ LYS 14 10.249 15.482 -6.032 95 HZ3 LYS 14 3HZ LYS 14 8.598 15.134 -5.907 96 H THR 15 H THR 15 9.509 10.384 -6.428 97 HA THR 15 HA THR 15 11.720 10.714 -4.773 98 HB THR 15 HB THR 15 9.318 8.929 -4.329 99 HG1 THR 15 HG1 THR 15 9.834 11.672 -3.967 100 HG21 THR 15 1HG2 THR 15 11.347 8.503 -2.864 101 HG22 THR 15 2HG2 THR 15 9.854 8.915 -2.021 102 HG23 THR 15 3HG2 THR 15 11.113 10.131 -2.230 103 H THR 16 H THR 16 13.463 9.525 -4.342 104 HA THR 16 HA THR 16 13.469 6.696 -5.168 105 HB THR 16 HB THR 16 16.069 7.225 -5.387 106 HG1 THR 16 HG1 THR 16 16.266 9.343 -5.122 107 HG21 THR 16 1HG2 THR 16 15.655 6.667 -7.506 108 HG22 THR 16 2HG2 THR 16 14.833 8.199 -7.803 109 HG23 THR 16 3HG2 THR 16 13.935 6.827 -7.153 110 H SER 17 H SER 17 15.104 5.369 -4.037 111 HA SER 17 HA SER 17 15.973 6.386 -1.447 112 HB2 SER 17 1HB SER 17 13.779 5.519 -0.912 113 HB3 SER 17 2HB SER 17 14.120 4.014 -1.765 114 HG SER 17 HG SER 17 14.395 3.800 0.496 115 H SER 18 H SER 18 17.822 5.455 -0.722 116 HA SER 18 HA SER 18 18.901 3.226 -2.321 117 HB2 SER 18 1HB SER 18 20.028 5.481 -2.617 118 HB3 SER 18 2HB SER 18 20.554 5.344 -0.939 119 HG SER 18 HG SER 18 21.054 3.250 -2.747 120 H MET 19 H MET 19 17.771 1.912 -0.661 121 HA MET 19 HA MET 19 19.612 0.943 1.252 122 HB2 MET 19 1HB MET 19 18.330 1.457 3.303 123 HB3 MET 19 2HB MET 19 18.978 2.900 2.534 124 HG2 MET 19 1HG MET 19 16.907 3.643 1.866 125 HG3 MET 19 2HG MET 19 16.198 2.031 1.913 126 HE1 MET 19 1HE MET 19 14.023 3.668 3.411 127 HE2 MET 19 2HE MET 19 14.336 1.958 3.113 128 HE3 MET 19 3HE MET 19 14.008 2.522 4.752 129 H ASP 20 H ASP 20 18.464 -0.691 2.768 130 HA ASP 20 HA ASP 20 17.185 -2.605 1.196 131 HB2 ASP 20 1HB ASP 20 18.382 -2.763 3.541 132 HB3 ASP 20 2HB ASP 20 16.742 -2.572 4.154 133 HA PRO 21 HA PRO 21 13.001 -1.239 1.022 134 HB2 PRO 21 1HB PRO 21 11.820 -3.611 0.433 135 HB3 PRO 21 2HB PRO 21 12.764 -2.690 -0.743 136 HG2 PRO 21 1HG PRO 21 13.582 -5.045 0.913 137 HG3 PRO 21 2HG PRO 21 13.912 -4.711 -0.797 138 HD2 PRO 21 1HD PRO 21 15.743 -4.282 1.151 139 HD3 PRO 21 2HD PRO 21 15.652 -3.279 -0.311 140 H SER 22 H SER 22 13.758 -4.143 2.912 141 HA SER 22 HA SER 22 11.462 -4.537 4.327 142 HB2 SER 22 1HB SER 22 13.394 -5.975 4.623 143 HB3 SER 22 2HB SER 22 14.303 -4.660 5.368 144 HG SER 22 HG SER 22 13.465 -5.278 7.180 145 H ASP 23 H ASP 23 13.614 -1.843 4.543 146 HA ASP 23 HA ASP 23 12.635 -0.913 7.089 147 HB2 ASP 23 1HB ASP 23 14.940 -0.431 6.304 148 HB3 ASP 23 2HB ASP 23 14.269 0.557 5.009 149 H MET 24 H MET 24 12.372 0.252 3.728 150 HA MET 24 HA MET 24 10.766 2.410 3.994 151 HB2 MET 24 1HB MET 24 10.804 0.234 1.933 152 HB3 MET 24 2HB MET 24 9.615 1.525 1.821 153 HG2 MET 24 1HG MET 24 11.240 3.160 1.494 154 HG3 MET 24 2HG MET 24 12.531 2.128 2.105 155 HE1 MET 24 1HE MET 24 10.180 3.082 -0.655 156 HE2 MET 24 2HE MET 24 11.729 3.791 -1.111 157 HE3 MET 24 3HE MET 24 11.001 2.539 -2.119 158 H MET 25 H MET 25 9.511 -0.916 3.655 159 HA MET 25 HA MET 25 6.859 -0.600 3.846 160 HB2 MET 25 1HB MET 25 8.702 -2.625 5.004 161 HB3 MET 25 2HB MET 25 7.032 -2.651 5.553 162 HG2 MET 25 1HG MET 25 7.535 -2.526 2.633 163 HG3 MET 25 2HG MET 25 7.847 -4.046 3.469 164 HE1 MET 25 1HE MET 25 5.708 -1.422 2.320 165 HE2 MET 25 2HE MET 25 4.465 -2.449 1.607 166 HE3 MET 25 3HE MET 25 4.146 -1.599 3.120 167 H ARG 26 H ARG 26 9.113 -0.273 6.546 168 HA ARG 26 HA ARG 26 7.067 0.167 8.498 169 HB2 ARG 26 1HB ARG 26 9.488 -0.672 8.857 170 HB3 ARG 26 2HB ARG 26 9.929 1.030 8.807 171 HG2 ARG 26 1HG ARG 26 8.377 1.457 10.674 172 HG3 ARG 26 2HG ARG 26 8.035 -0.273 10.750 173 HD2 ARG 26 1HD ARG 26 9.664 -0.036 12.368 174 HD3 ARG 26 2HD ARG 26 10.614 -0.505 10.959 175 HE ARG 26 HE ARG 26 10.376 2.331 11.219 176 HH11 ARG 26 1HH1 ARG 26 12.112 -0.468 12.349 177 HH12 ARG 26 2HH1 ARG 26 13.532 0.425 12.780 178 HH21 ARG 26 1HH2 ARG 26 12.240 3.518 11.782 179 HH22 ARG 26 2HH2 ARG 26 13.604 2.693 12.458 180 H GLU 27 H GLU 27 9.213 2.236 6.598 181 HA GLU 27 HA GLU 27 8.577 4.677 7.828 182 HB2 GLU 27 1HB GLU 27 10.493 4.499 6.371 183 HB3 GLU 27 2HB GLU 27 9.470 4.069 5.008 184 HG2 GLU 27 1HG GLU 27 9.836 6.263 4.549 185 HG3 GLU 27 2HG GLU 27 8.369 6.398 5.517 186 H ILE 28 H ILE 28 7.388 3.455 4.691 187 HA ILE 28 HA ILE 28 5.474 5.335 4.166 188 HB ILE 28 HB ILE 28 5.449 2.379 3.596 189 HG12 ILE 28 1HG1 ILE 28 5.664 3.538 1.209 190 HG13 ILE 28 2HG1 ILE 28 6.310 4.858 2.178 191 HG21 ILE 28 1HG2 ILE 28 3.346 4.405 3.144 192 HG22 ILE 28 2HG2 ILE 28 3.701 3.320 1.801 193 HG23 ILE 28 3HG2 ILE 28 3.215 2.660 3.363 194 HD11 ILE 28 1HD1 ILE 28 8.108 3.564 2.932 195 HD12 ILE 28 2HD1 ILE 28 7.356 2.059 2.404 196 HD13 ILE 28 3HD1 ILE 28 7.967 3.205 1.212 197 H ARG 29 H ARG 29 4.880 2.259 5.878 198 HA ARG 29 HA ARG 29 2.225 2.698 6.541 199 HB2 ARG 29 1HB ARG 29 4.404 1.125 7.894 200 HB3 ARG 29 2HB ARG 29 2.771 1.174 8.544 201 HG2 ARG 29 1HG ARG 29 1.998 0.390 6.256 202 HG3 ARG 29 2HG ARG 29 3.698 0.049 5.923 203 HD2 ARG 29 1HD ARG 29 2.443 -1.924 6.737 204 HD3 ARG 29 2HD ARG 29 3.804 -1.488 7.770 205 HE ARG 29 HE ARG 29 1.444 -0.256 8.709 206 HH11 ARG 29 1HH1 ARG 29 3.001 -3.364 8.509 207 HH12 ARG 29 2HH1 ARG 29 2.223 -3.990 9.925 208 HH21 ARG 29 1HH2 ARG 29 0.414 -1.070 10.575 209 HH22 ARG 29 2HH2 ARG 29 0.751 -2.685 11.098 210 H LYS 30 H LYS 30 5.144 3.556 8.370 211 HA LYS 30 HA LYS 30 3.903 4.604 10.637 212 HB2 LYS 30 1HB LYS 30 6.230 4.255 10.763 213 HB3 LYS 30 2HB LYS 30 6.535 5.187 9.303 214 HG2 LYS 30 1HG LYS 30 6.202 7.228 10.402 215 HG3 LYS 30 2HG LYS 30 5.423 6.454 11.783 216 HD2 LYS 30 1HD LYS 30 7.443 5.645 12.621 217 HD3 LYS 30 2HD LYS 30 8.267 5.827 11.072 218 HE2 LYS 30 1HE LYS 30 9.104 7.579 12.368 219 HE3 LYS 30 2HE LYS 30 7.863 8.340 11.373 220 HZ1 LYS 30 1HZ LYS 30 8.055 8.402 14.120 221 HZ2 LYS 30 2HZ LYS 30 6.759 7.364 13.798 222 HZ3 LYS 30 3HZ LYS 30 6.754 8.939 13.180 223 H VAL 31 H VAL 31 5.235 6.463 7.894 224 HA VAL 31 HA VAL 31 4.304 8.956 8.561 225 HB VAL 31 HB VAL 31 4.581 7.726 5.820 226 HG11 VAL 31 1HG1 VAL 31 4.061 10.590 6.598 227 HG12 VAL 31 2HG1 VAL 31 4.630 10.086 5.005 228 HG13 VAL 31 3HG1 VAL 31 3.054 9.552 5.589 229 HG21 VAL 31 1HG2 VAL 31 6.539 9.589 6.079 230 HG22 VAL 31 2HG2 VAL 31 6.398 9.010 7.738 231 HG23 VAL 31 3HG2 VAL 31 6.740 7.874 6.434 232 H LEU 32 H LEU 32 2.637 6.716 6.335 233 HA LEU 32 HA LEU 32 0.348 8.018 5.806 234 HB2 LEU 32 1HB LEU 32 0.702 5.123 6.536 235 HB3 LEU 32 2HB LEU 32 -0.821 5.773 5.933 236 HG LEU 32 HG LEU 32 1.754 5.964 4.386 237 HD11 LEU 32 1HD1 LEU 32 1.631 3.725 4.248 238 HD12 LEU 32 2HD1 LEU 32 0.331 4.056 3.104 239 HD13 LEU 32 3HD1 LEU 32 -0.049 3.677 4.784 240 HD21 LEU 32 1HD2 LEU 32 -1.135 6.130 3.536 241 HD22 LEU 32 2HD2 LEU 32 0.279 6.342 2.503 242 HD23 LEU 32 3HD2 LEU 32 -0.064 7.510 3.779 243 H GLY 33 H GLY 33 0.589 5.837 8.629 244 HA2 GLY 33 1HA GLY 33 -1.806 6.510 9.837 245 HA3 GLY 33 2HA GLY 33 -0.382 5.957 10.707 246 H ALA 34 H ALA 34 1.242 8.245 9.906 247 HA ALA 34 HA ALA 34 0.570 9.992 12.043 248 HB1 ALA 34 1HB ALA 34 2.517 10.606 9.835 249 HB2 ALA 34 2HB ALA 34 2.532 11.186 11.501 250 HB3 ALA 34 3HB ALA 34 2.887 9.494 11.153 251 H ASN 35 H ASN 35 -0.175 9.941 8.661 252 HA ASN 35 HA ASN 35 -1.132 12.709 8.737 253 HB2 ASN 35 1HB ASN 35 -1.206 10.937 6.309 254 HB3 ASN 35 2HB ASN 35 -1.114 12.694 6.391 255 HD21 ASN 35 1HD2 ASN 35 0.881 13.647 7.087 256 HD22 ASN 35 2HD2 ASN 35 2.371 12.816 6.819 257 H ASN 36 H ASN 36 -2.510 10.700 10.241 258 HA ASN 36 HA ASN 36 -4.555 9.672 10.489 259 HB2 ASN 36 1HB ASN 36 -4.924 12.126 10.891 260 HB3 ASN 36 2HB ASN 36 -5.489 12.257 9.228 261 HD21 ASN 36 1HD2 ASN 36 -6.160 10.988 12.396 262 HD22 ASN 36 2HD2 ASN 36 -7.831 10.643 12.123 263 H CYS 37 H CYS 37 -3.465 8.577 8.287 264 HA CYS 37 HA CYS 37 -5.655 8.553 6.316 265 HB2 CYS 37 1HB CYS 37 -2.690 8.214 6.013 266 HB3 CYS 37 2HB CYS 37 -3.781 7.483 4.842 267 HG CYS 37 HG CYS 37 -3.337 10.804 5.488 268 H ASP 38 H ASP 38 -6.298 6.534 5.445 269 HA ASP 38 HA ASP 38 -5.926 4.326 7.323 270 HB2 ASP 38 1HB ASP 38 -8.011 5.074 5.331 271 HB3 ASP 38 2HB ASP 38 -7.789 3.361 5.678 272 H TYR 39 H TYR 39 -4.489 2.800 6.899 273 HA TYR 39 HA TYR 39 -3.877 2.185 4.081 274 HB2 TYR 39 1HB TYR 39 -1.581 1.663 4.770 275 HB3 TYR 39 2HB TYR 39 -1.994 3.329 5.157 276 HD1 TYR 39 HD1 TYR 39 -2.345 4.012 7.492 277 HD2 TYR 39 HD2 TYR 39 -1.122 0.059 6.502 278 HE1 TYR 39 HE1 TYR 39 -1.678 3.639 9.830 279 HE2 TYR 39 HE2 TYR 39 -0.453 -0.325 8.837 280 HH TYR 39 HH TYR 39 -1.206 0.741 11.167 281 H GLU 40 H GLU 40 -3.844 0.077 3.476 282 HA GLU 40 HA GLU 40 -4.146 -1.968 5.563 283 HB2 GLU 40 1HB GLU 40 -5.978 -1.388 3.275 284 HB3 GLU 40 2HB GLU 40 -5.758 -3.059 3.777 285 HG2 GLU 40 1HG GLU 40 -6.499 -2.515 6.017 286 HG3 GLU 40 2HG GLU 40 -6.650 -0.815 5.574 287 H GLN 41 H GLN 41 -2.676 -3.507 5.332 288 HA GLN 41 HA GLN 41 -0.989 -3.655 3.046 289 HB2 GLN 41 1HB GLN 41 -0.600 -4.326 5.583 290 HB3 GLN 41 2HB GLN 41 -1.123 -5.901 5.002 291 HG2 GLN 41 1HG GLN 41 0.999 -4.449 3.506 292 HG3 GLN 41 2HG GLN 41 1.408 -5.238 5.028 293 HE21 GLN 41 1HE2 GLN 41 2.705 -6.163 2.954 294 HE22 GLN 41 2HE2 GLN 41 2.086 -7.683 2.416 295 H ARG 42 H ARG 42 -1.824 -4.333 1.167 296 HA ARG 42 HA ARG 42 -3.677 -6.591 1.135 297 HB2 ARG 42 1HB ARG 42 -2.922 -4.454 -0.817 298 HB3 ARG 42 2HB ARG 42 -3.609 -5.956 -1.421 299 HG2 ARG 42 1HG ARG 42 -4.983 -4.469 0.772 300 HG3 ARG 42 2HG ARG 42 -5.154 -3.940 -0.903 301 HD2 ARG 42 1HD ARG 42 -6.285 -5.842 -1.530 302 HD3 ARG 42 2HD ARG 42 -5.570 -6.817 -0.246 303 HE ARG 42 HE ARG 42 -7.217 -4.828 0.880 304 HH11 ARG 42 1HH1 ARG 42 -7.409 -7.792 -0.936 305 HH12 ARG 42 2HH1 ARG 42 -8.969 -8.222 -0.319 306 HH21 ARG 42 1HH2 ARG 42 -9.271 -5.384 1.701 307 HH22 ARG 42 2HH2 ARG 42 -10.028 -6.851 1.181 308 H GLU 43 H GLU 43 -1.099 -5.681 -1.139 309 HA GLU 43 HA GLU 43 -0.465 -8.459 -1.582 310 HB2 GLU 43 1HB GLU 43 0.943 -6.011 -2.657 311 HB3 GLU 43 2HB GLU 43 1.069 -7.653 -3.272 312 HG2 GLU 43 1HG GLU 43 -1.519 -6.133 -3.222 313 HG3 GLU 43 2HG GLU 43 -0.395 -6.068 -4.577 314 H ARG 44 H ARG 44 2.142 -8.709 -1.890 315 HA ARG 44 HA ARG 44 3.170 -9.115 0.642 316 HB2 ARG 44 1HB ARG 44 3.994 -10.036 -1.599 317 HB3 ARG 44 2HB ARG 44 4.910 -8.543 -1.749 318 HG2 ARG 44 1HG ARG 44 5.876 -9.147 0.554 319 HG3 ARG 44 2HG ARG 44 5.244 -10.762 0.230 320 HD2 ARG 44 1HD ARG 44 7.043 -9.284 -1.677 321 HD3 ARG 44 2HD ARG 44 7.652 -10.360 -0.420 322 HE ARG 44 HE ARG 44 5.753 -11.780 -1.865 323 HH11 ARG 44 1HH1 ARG 44 8.850 -10.286 -2.413 324 HH12 ARG 44 2HH1 ARG 44 9.309 -11.395 -3.663 325 HH21 ARG 44 1HH2 ARG 44 6.346 -13.246 -3.509 326 HH22 ARG 44 2HH2 ARG 44 7.884 -13.077 -4.286 327 H PHE 45 H PHE 45 3.804 -6.400 -1.564 328 HA PHE 45 HA PHE 45 4.618 -4.809 0.768 329 HB2 PHE 45 1HB PHE 45 6.072 -5.131 -1.845 330 HB3 PHE 45 2HB PHE 45 6.273 -3.680 -0.868 331 HD1 PHE 45 HD1 PHE 45 6.658 -7.359 -0.843 332 HD2 PHE 45 HD2 PHE 45 7.693 -3.663 0.996 333 HE1 PHE 45 HE1 PHE 45 8.355 -8.513 0.513 334 HE2 PHE 45 HE2 PHE 45 9.393 -4.811 2.355 335 HZ PHE 45 HZ PHE 45 9.727 -7.239 2.114 336 H LEU 46 H LEU 46 2.070 -4.793 -0.290 337 HA LEU 46 HA LEU 46 1.975 -2.151 -1.588 338 HB2 LEU 46 1HB LEU 46 1.329 -4.039 -3.091 339 HB3 LEU 46 2HB LEU 46 -0.006 -4.384 -1.993 340 HG LEU 46 HG LEU 46 -0.573 -1.835 -2.506 341 HD11 LEU 46 1HD1 LEU 46 1.201 -2.728 -4.727 342 HD12 LEU 46 2HD1 LEU 46 1.066 -1.148 -3.956 343 HD13 LEU 46 3HD1 LEU 46 -0.176 -1.687 -5.086 344 HD21 LEU 46 1HD2 LEU 46 -1.242 -4.325 -4.027 345 HD22 LEU 46 2HD2 LEU 46 -1.926 -2.770 -4.503 346 HD23 LEU 46 3HD2 LEU 46 -2.231 -3.411 -2.887 347 H LEU 47 H LEU 47 0.300 -0.760 -0.957 348 HA LEU 47 HA LEU 47 -1.386 -1.608 1.278 349 HB2 LEU 47 1HB LEU 47 0.305 0.887 1.337 350 HB3 LEU 47 2HB LEU 47 -0.826 0.360 2.582 351 HG LEU 47 HG LEU 47 1.460 -1.416 1.863 352 HD11 LEU 47 1HD1 LEU 47 2.583 -0.114 3.869 353 HD12 LEU 47 2HD1 LEU 47 1.641 1.223 3.212 354 HD13 LEU 47 3HD1 LEU 47 2.813 0.387 2.194 355 HD21 LEU 47 1HD2 LEU 47 -0.556 -1.759 3.556 356 HD22 LEU 47 2HD2 LEU 47 0.528 -0.869 4.626 357 HD23 LEU 47 3HD2 LEU 47 1.062 -2.379 3.885 358 H PHE 48 H PHE 48 -3.212 -0.228 1.652 359 HA PHE 48 HA PHE 48 -3.980 1.265 -0.760 360 HB2 PHE 48 1HB PHE 48 -5.366 -0.721 -0.009 361 HB3 PHE 48 2HB PHE 48 -5.827 0.237 1.395 362 HD1 PHE 48 HD2 PHE 48 -5.859 0.269 -2.319 363 HD2 PHE 48 HD1 PHE 48 -7.634 1.686 1.281 364 HE1 PHE 48 HE2 PHE 48 -7.676 1.294 -3.623 365 HE2 PHE 48 HE1 PHE 48 -9.455 2.713 -0.017 366 HZ PHE 48 HZ PHE 48 -9.477 2.519 -2.472 367 H CYS 49 H CYS 49 -3.198 3.294 -0.341 368 HA CYS 49 HA CYS 49 -3.538 4.583 2.192 369 HB2 CYS 49 1HB CYS 49 -2.852 5.868 -0.456 370 HB3 CYS 49 2HB CYS 49 -2.536 6.512 1.151 371 HG CYS 49 HG CYS 49 -0.715 4.439 -0.689 372 H VAL 50 H VAL 50 -5.013 6.106 2.809 373 HA VAL 50 HA VAL 50 -7.016 7.027 0.902 374 HB VAL 50 HB VAL 50 -7.733 5.480 3.394 375 HG11 VAL 50 1HG1 VAL 50 -10.097 5.960 2.207 376 HG12 VAL 50 2HG1 VAL 50 -9.425 6.975 3.484 377 HG13 VAL 50 3HG1 VAL 50 -9.242 7.446 1.794 378 HG21 VAL 50 1HG2 VAL 50 -9.112 4.244 1.545 379 HG22 VAL 50 2HG2 VAL 50 -7.900 4.933 0.465 380 HG23 VAL 50 3HG2 VAL 50 -7.404 3.870 1.782 381 H HIS 51 H HIS 51 -7.896 8.989 1.415 382 HA HIS 51 HA HIS 51 -7.569 10.115 4.060 383 HB2 HIS 51 1HB HIS 51 -5.400 10.517 2.749 384 HB3 HIS 51 2HB HIS 51 -6.346 11.616 1.751 385 HD1 HIS 51 HD1 HIS 51 -6.046 13.950 2.466 386 HD2 HIS 51 HD2 HIS 51 -5.878 11.330 5.686 387 HE1 HIS 51 HE1 HIS 51 -5.662 15.394 4.489 388 HE2 HIS 51 HE2 HIS 51 -5.479 13.779 6.414 389 H GLY 52 H GLY 52 -8.826 11.995 4.408 390 HA2 GLY 52 1HA GLY 52 -10.852 12.436 2.304 391 HA3 GLY 52 2HA GLY 52 -11.180 12.539 4.028 392 H ASP 53 H ASP 53 -9.020 13.995 1.595 393 HA ASP 53 HA ASP 53 -8.849 16.451 3.097 394 HB2 ASP 53 1HB ASP 53 -7.525 17.239 1.116 395 HB3 ASP 53 2HB ASP 53 -6.894 15.779 1.874 396 H GLY 54 H GLY 54 -11.482 16.016 2.660 397 HA2 GLY 54 1HA GLY 54 -12.525 18.334 1.744 398 HA3 GLY 54 2HA GLY 54 -12.368 17.386 0.273 399 H HIS 55 H HIS 55 -14.297 16.638 -0.289 400 HA HIS 55 HA HIS 55 -16.163 15.791 1.810 401 HB2 HIS 55 1HB HIS 55 -16.525 16.621 -1.059 402 HB3 HIS 55 2HB HIS 55 -17.787 15.738 -0.204 403 HD1 HIS 55 HD1 HIS 55 -19.522 17.338 0.503 404 HD2 HIS 55 HD2 HIS 55 -15.707 18.936 0.900 405 HE1 HIS 55 HE1 HIS 55 -19.851 19.623 1.500 406 HE2 HIS 55 HE2 HIS 55 -17.536 20.604 1.652 407 H ALA 56 H ALA 56 -17.348 13.808 1.562 408 HA ALA 56 HA ALA 56 -15.830 11.560 1.146 409 HB1 ALA 56 1HB ALA 56 -17.910 10.294 1.107 410 HB2 ALA 56 2HB ALA 56 -17.967 11.557 2.337 411 HB3 ALA 56 3HB ALA 56 -18.819 11.776 0.808 412 H GLU 57 H GLU 57 -18.155 12.988 -1.147 413 HA GLU 57 HA GLU 57 -17.733 11.163 -3.228 414 HB2 GLU 57 1HB GLU 57 -19.602 12.848 -3.043 415 HB3 GLU 57 2HB GLU 57 -18.455 14.075 -3.562 416 HG2 GLU 57 1HG GLU 57 -19.529 13.519 -5.523 417 HG3 GLU 57 2HG GLU 57 -18.068 12.534 -5.591 418 H ASN 58 H ASN 58 -15.708 13.597 -1.997 419 HA ASN 58 HA ASN 58 -14.056 13.537 -4.435 420 HB2 ASN 58 1HB ASN 58 -14.283 15.646 -2.282 421 HB3 ASN 58 2HB ASN 58 -13.037 15.657 -3.526 422 HD21 ASN 58 1HD2 ASN 58 -16.518 15.703 -3.005 423 HD22 ASN 58 2HD2 ASN 58 -16.906 16.560 -4.454 424 H LEU 59 H LEU 59 -13.892 11.393 -2.724 425 HA LEU 59 HA LEU 59 -11.696 11.783 -0.886 426 HB2 LEU 59 1HB LEU 59 -13.683 10.146 -0.670 427 HB3 LEU 59 2HB LEU 59 -12.756 9.122 -1.764 428 HG LEU 59 HG LEU 59 -11.491 10.125 0.752 429 HD11 LEU 59 1HD1 LEU 59 -13.880 8.861 0.919 430 HD12 LEU 59 2HD1 LEU 59 -12.603 8.746 2.130 431 HD13 LEU 59 3HD1 LEU 59 -12.772 7.488 0.906 432 HD21 LEU 59 1HD2 LEU 59 -9.873 8.708 0.190 433 HD22 LEU 59 2HD2 LEU 59 -10.682 8.516 -1.366 434 HD23 LEU 59 3HD2 LEU 59 -11.019 7.389 -0.050 435 H VAL 60 H VAL 60 -9.654 10.756 -1.046 436 HA VAL 60 HA VAL 60 -8.838 10.204 -3.823 437 HB VAL 60 HB VAL 60 -7.344 11.450 -1.531 438 HG11 VAL 60 1HG1 VAL 60 -5.489 11.366 -3.500 439 HG12 VAL 60 2HG1 VAL 60 -5.572 10.214 -2.166 440 HG13 VAL 60 3HG1 VAL 60 -6.283 9.808 -3.729 441 HG21 VAL 60 1HG2 VAL 60 -8.459 12.321 -4.087 442 HG22 VAL 60 2HG2 VAL 60 -8.047 13.259 -2.652 443 HG23 VAL 60 3HG2 VAL 60 -6.796 12.845 -3.824 444 H GLN 61 H GLN 61 -8.348 8.165 -4.255 445 HA GLN 61 HA GLN 61 -7.274 6.484 -2.088 446 HB2 GLN 61 1HB GLN 61 -9.436 5.946 -4.067 447 HB3 GLN 61 2HB GLN 61 -8.391 4.610 -3.603 448 HG2 GLN 61 1HG GLN 61 -9.085 4.675 -1.384 449 HG3 GLN 61 2HG GLN 61 -9.728 6.310 -1.536 450 HE21 GLN 61 1HE2 GLN 61 -11.522 5.054 -0.430 451 HE22 GLN 61 2HE2 GLN 61 -12.725 4.367 -1.463 452 H TRP 62 H TRP 62 -5.253 5.902 -2.477 453 HA TRP 62 HA TRP 62 -4.485 5.060 -5.161 454 HB2 TRP 62 1HB TRP 62 -2.581 6.481 -5.314 455 HB3 TRP 62 2HB TRP 62 -3.938 7.520 -4.887 456 HD1 TRP 62 HD1 TRP 62 -0.474 6.843 -3.914 457 HE1 TRP 62 HE1 TRP 62 0.062 7.881 -1.620 458 HE3 TRP 62 HE3 TRP 62 -5.234 7.866 -2.353 459 HZ2 TRP 62 HZ2 TRP 62 -1.346 8.987 0.562 460 HZ3 TRP 62 HZ3 TRP 62 -5.553 8.914 -0.150 461 HH2 TRP 62 HH2 TRP 62 -3.648 9.462 1.276 462 H GLU 63 H GLU 63 -2.918 3.494 -5.198 463 HA GLU 63 HA GLU 63 -2.155 2.415 -2.581 464 HB2 GLU 63 1HB GLU 63 -2.542 1.235 -5.296 465 HB3 GLU 63 2HB GLU 63 -1.419 0.449 -4.194 466 HG2 GLU 63 1HG GLU 63 -3.089 -0.074 -2.665 467 HG3 GLU 63 2HG GLU 63 -4.202 1.121 -3.328 468 H MET 64 H MET 64 0.016 1.494 -2.343 469 HA MET 64 HA MET 64 2.054 2.633 -4.097 470 HB2 MET 64 1HB MET 64 2.032 3.044 -1.101 471 HB3 MET 64 2HB MET 64 3.337 3.505 -2.186 472 HG2 MET 64 1HG MET 64 1.940 5.123 -3.272 473 HG3 MET 64 2HG MET 64 0.536 4.586 -2.352 474 HE1 MET 64 1HE MET 64 3.793 4.576 -0.215 475 HE2 MET 64 2HE MET 64 4.251 5.468 -1.665 476 HE3 MET 64 3HE MET 64 4.164 6.297 -0.109 477 H GLU 65 H GLU 65 3.843 1.376 -4.311 478 HA GLU 65 HA GLU 65 4.205 -0.869 -2.462 479 HB2 GLU 65 1HB GLU 65 2.943 -1.795 -4.309 480 HB3 GLU 65 2HB GLU 65 4.058 -1.090 -5.471 481 HG2 GLU 65 1HG GLU 65 5.846 -2.515 -4.284 482 HG3 GLU 65 2HG GLU 65 4.473 -3.408 -3.632 483 H VAL 66 H VAL 66 6.327 -1.686 -2.350 484 HA VAL 66 HA VAL 66 8.353 0.188 -3.358 485 HB VAL 66 HB VAL 66 8.704 -1.873 -1.181 486 HG11 VAL 66 1HG1 VAL 66 10.316 0.576 -1.892 487 HG12 VAL 66 2HG1 VAL 66 10.663 -0.561 -0.588 488 HG13 VAL 66 3HG1 VAL 66 10.761 -1.088 -2.268 489 HG21 VAL 66 1HG2 VAL 66 7.007 0.228 -0.977 490 HG22 VAL 66 2HG2 VAL 66 7.891 -0.468 0.381 491 HG23 VAL 66 3HG2 VAL 66 8.515 0.965 -0.435 492 H CYS 67 H CYS 67 9.532 -0.431 -5.034 493 HA CYS 67 HA CYS 67 10.485 -3.166 -5.229 494 HB2 CYS 67 1HB CYS 67 8.210 -2.877 -6.467 495 HB3 CYS 67 2HB CYS 67 9.164 -2.011 -7.665 496 HG CYS 67 HG CYS 67 10.502 -4.077 -8.641 497 H LYS 68 H LYS 68 12.034 -3.400 -7.097 498 HA LYS 68 HA LYS 68 13.811 -1.118 -7.091 499 HB2 LYS 68 1HB LYS 68 15.429 -2.584 -8.093 500 HB3 LYS 68 2HB LYS 68 14.625 -3.460 -6.797 501 HG2 LYS 68 1HG LYS 68 13.102 -4.398 -8.626 502 HG3 LYS 68 2HG LYS 68 14.314 -3.793 -9.758 503 HD2 LYS 68 1HD LYS 68 15.935 -5.265 -9.012 504 HD3 LYS 68 2HD LYS 68 15.157 -5.486 -7.443 505 HE2 LYS 68 1HE LYS 68 13.261 -6.602 -8.740 506 HE3 LYS 68 2HE LYS 68 14.380 -6.650 -10.101 507 HZ1 LYS 68 1HZ LYS 68 15.302 -7.688 -7.524 508 HZ2 LYS 68 2HZ LYS 68 15.692 -8.191 -9.092 509 HZ3 LYS 68 3HZ LYS 68 14.207 -8.627 -8.409 510 H LEU 69 H LEU 69 14.226 0.235 -8.749 511 HA LEU 69 HA LEU 69 12.392 0.355 -10.923 512 HB2 LEU 69 1HB LEU 69 14.968 1.859 -10.488 513 HB3 LEU 69 2HB LEU 69 13.728 2.265 -11.672 514 HG LEU 69 HG LEU 69 13.281 2.285 -8.690 515 HD11 LEU 69 1HD1 LEU 69 14.986 3.937 -9.403 516 HD12 LEU 69 2HD1 LEU 69 13.514 4.673 -8.770 517 HD13 LEU 69 3HD1 LEU 69 13.800 4.630 -10.509 518 HD21 LEU 69 1HD2 LEU 69 11.665 3.178 -11.063 519 HD22 LEU 69 2HD2 LEU 69 11.348 3.750 -9.425 520 HD23 LEU 69 3HD2 LEU 69 11.216 2.031 -9.801 521 HA PRO 70 HA PRO 70 14.481 -2.261 -13.801 522 HB2 PRO 70 1HB PRO 70 13.247 -1.398 -16.060 523 HB3 PRO 70 2HB PRO 70 12.454 -2.435 -14.868 524 HG2 PRO 70 1HG PRO 70 12.246 0.529 -15.238 525 HG3 PRO 70 2HG PRO 70 10.963 -0.650 -14.910 526 HD2 PRO 70 1HD PRO 70 12.029 0.918 -12.977 527 HD3 PRO 70 2HD PRO 70 11.433 -0.722 -12.654 528 H ARG 71 H ARG 71 14.549 1.196 -13.929 529 HA ARG 71 HA ARG 71 16.569 1.231 -16.033 530 HB2 ARG 71 1HB ARG 71 14.800 2.925 -16.101 531 HB3 ARG 71 2HB ARG 71 15.271 3.494 -14.506 532 HG2 ARG 71 1HG ARG 71 16.128 4.978 -16.200 533 HG3 ARG 71 2HG ARG 71 17.464 4.143 -15.404 534 HD2 ARG 71 1HD ARG 71 17.479 2.514 -17.288 535 HD3 ARG 71 2HD ARG 71 16.267 3.507 -18.096 536 HE ARG 71 HE ARG 71 18.394 5.173 -17.470 537 HH11 ARG 71 1HH1 ARG 71 17.800 2.367 -19.442 538 HH12 ARG 71 2HH1 ARG 71 19.009 2.773 -20.615 539 HH21 ARG 71 1HH2 ARG 71 19.989 5.719 -19.007 540 HH22 ARG 71 2HH2 ARG 71 20.254 4.680 -20.365 541 H LEU 72 H LEU 72 16.249 2.567 -12.738 542 HA LEU 72 HA LEU 72 19.155 2.683 -12.518 543 HB2 LEU 72 1HB LEU 72 17.144 3.532 -10.452 544 HB3 LEU 72 2HB LEU 72 18.831 4.023 -10.591 545 HG LEU 72 HG LEU 72 16.797 4.744 -12.682 546 HD11 LEU 72 1HD1 LEU 72 16.385 6.816 -11.573 547 HD12 LEU 72 2HD1 LEU 72 17.548 6.433 -10.304 548 HD13 LEU 72 3HD1 LEU 72 16.047 5.516 -10.430 549 HD21 LEU 72 1HD2 LEU 72 18.535 6.733 -12.696 550 HD22 LEU 72 2HD2 LEU 72 18.838 5.236 -13.578 551 HD23 LEU 72 3HD2 LEU 72 19.590 5.500 -12.004 552 H SER 73 H SER 73 20.128 1.981 -10.408 553 HA SER 73 HA SER 73 19.110 -0.686 -9.750 554 HB2 SER 73 1HB SER 73 21.509 -0.303 -10.537 555 HB3 SER 73 2HB SER 73 21.796 0.449 -8.968 556 HG SER 73 HG SER 73 21.249 -1.500 -7.980 557 H LEU 74 H LEU 74 17.573 1.189 -8.603 558 HA LEU 74 HA LEU 74 18.260 0.916 -5.770 559 HB2 LEU 74 1HB LEU 74 17.222 3.474 -6.979 560 HB3 LEU 74 2HB LEU 74 17.608 3.190 -5.283 561 HG LEU 74 HG LEU 74 20.010 2.695 -6.313 562 HD11 LEU 74 1HD1 LEU 74 18.529 3.878 -8.492 563 HD12 LEU 74 2HD1 LEU 74 20.144 3.170 -8.479 564 HD13 LEU 74 3HD1 LEU 74 19.921 4.865 -8.045 565 HD21 LEU 74 1HD2 LEU 74 18.699 5.253 -5.503 566 HD22 LEU 74 2HD2 LEU 74 20.375 5.265 -6.053 567 HD23 LEU 74 3HD2 LEU 74 19.912 4.292 -4.656 568 H ASN 75 H ASN 75 16.356 1.354 -4.349 569 HA ASN 75 HA ASN 75 13.995 0.129 -5.537 570 HB2 ASN 75 1HB ASN 75 14.564 0.800 -2.641 571 HB3 ASN 75 2HB ASN 75 13.236 -0.189 -3.240 572 HD21 ASN 75 1HD2 ASN 75 14.787 -1.268 -1.375 573 HD22 ASN 75 2HD2 ASN 75 15.827 -2.476 -2.043 574 H GLY 76 H GLY 76 12.430 1.366 -6.323 575 HA2 GLY 76 1HA GLY 76 12.013 4.028 -5.111 576 HA3 GLY 76 2HA GLY 76 11.707 3.657 -6.801 577 H VAL 77 H VAL 77 9.940 4.751 -4.684 578 HA VAL 77 HA VAL 77 7.995 2.650 -4.221 579 HB VAL 77 HB VAL 77 7.760 5.597 -3.603 580 HG11 VAL 77 1HG1 VAL 77 5.942 3.389 -3.390 581 HG12 VAL 77 2HG1 VAL 77 6.312 4.024 -1.785 582 HG13 VAL 77 3HG1 VAL 77 5.673 5.095 -3.033 583 HG21 VAL 77 1HG2 VAL 77 8.670 5.225 -1.494 584 HG22 VAL 77 2HG2 VAL 77 8.464 3.477 -1.605 585 HG23 VAL 77 3HG2 VAL 77 9.715 4.280 -2.555 586 H ARG 78 H ARG 78 6.517 2.117 -5.675 587 HA ARG 78 HA ARG 78 5.862 3.984 -7.822 588 HB2 ARG 78 1HB ARG 78 4.710 2.010 -8.831 589 HB3 ARG 78 2HB ARG 78 6.430 1.770 -8.554 590 HG2 ARG 78 1HG ARG 78 5.950 0.479 -6.554 591 HG3 ARG 78 2HG ARG 78 4.222 0.758 -6.775 592 HD2 ARG 78 1HD ARG 78 4.629 -1.395 -7.637 593 HD3 ARG 78 2HD ARG 78 4.481 -0.343 -9.044 594 HE ARG 78 HE ARG 78 7.188 -0.551 -8.275 595 HH11 ARG 78 1HH1 ARG 78 4.633 -2.388 -9.764 596 HH12 ARG 78 2HH1 ARG 78 5.709 -3.370 -10.702 597 HH21 ARG 78 1HH2 ARG 78 8.615 -1.838 -9.505 598 HH22 ARG 78 2HH2 ARG 78 7.974 -3.057 -10.553 599 H PHE 79 H PHE 79 4.150 5.255 -7.644 600 HA PHE 79 HA PHE 79 2.046 4.586 -5.735 601 HB2 PHE 79 1HB PHE 79 2.609 7.115 -7.296 602 HB3 PHE 79 2HB PHE 79 1.265 6.918 -6.175 603 HD1 PHE 79 HD2 PHE 79 4.942 6.257 -6.150 604 HD2 PHE 79 HD1 PHE 79 1.571 7.902 -4.137 605 HE1 PHE 79 HE2 PHE 79 6.396 6.954 -4.292 606 HE2 PHE 79 HE1 PHE 79 3.020 8.602 -2.276 607 HZ PHE 79 HZ PHE 79 5.436 8.127 -2.351 608 H LYS 80 H LYS 80 -0.192 4.702 -6.306 609 HA LYS 80 HA LYS 80 -0.853 4.607 -9.143 610 HB2 LYS 80 1HB LYS 80 -0.432 2.295 -8.758 611 HB3 LYS 80 2HB LYS 80 -1.290 2.323 -7.223 612 HG2 LYS 80 1HG LYS 80 -3.396 2.548 -8.320 613 HG3 LYS 80 2HG LYS 80 -2.614 2.788 -9.884 614 HD2 LYS 80 1HD LYS 80 -1.556 0.436 -9.329 615 HD3 LYS 80 2HD LYS 80 -2.983 0.292 -8.300 616 HE2 LYS 80 1HE LYS 80 -4.241 1.099 -10.446 617 HE3 LYS 80 2HE LYS 80 -2.794 0.523 -11.271 618 HZ1 LYS 80 1HZ LYS 80 -4.624 -1.057 -9.551 619 HZ2 LYS 80 2HZ LYS 80 -3.138 -1.635 -10.118 620 HZ3 LYS 80 3HZ LYS 80 -4.366 -1.241 -11.213 621 H ARG 81 H ARG 81 -2.400 6.088 -9.303 622 HA ARG 81 HA ARG 81 -4.155 6.689 -7.095 623 HB2 ARG 81 1HB ARG 81 -3.233 8.428 -8.645 624 HB3 ARG 81 2HB ARG 81 -4.247 7.761 -9.918 625 HG2 ARG 81 1HG ARG 81 -6.235 8.251 -8.517 626 HG3 ARG 81 2HG ARG 81 -5.168 9.045 -7.358 627 HD2 ARG 81 1HD ARG 81 -6.218 10.662 -8.860 628 HD3 ARG 81 2HD ARG 81 -4.468 10.630 -9.068 629 HE ARG 81 HE ARG 81 -6.471 9.814 -10.991 630 HH11 ARG 81 1HH1 ARG 81 -3.120 9.727 -10.051 631 HH12 ARG 81 2HH1 ARG 81 -2.547 9.367 -11.646 632 HH21 ARG 81 1HH2 ARG 81 -5.729 9.340 -13.096 633 HH22 ARG 81 2HH2 ARG 81 -4.032 9.148 -13.377 634 H ILE 82 H ILE 82 -5.817 5.395 -6.671 635 HA ILE 82 HA ILE 82 -7.039 3.754 -8.689 636 HB ILE 82 HB ILE 82 -7.711 4.211 -5.785 637 HG12 ILE 82 1HG1 ILE 82 -7.073 1.603 -6.003 638 HG13 ILE 82 2HG1 ILE 82 -6.104 2.247 -7.324 639 HG21 ILE 82 1HG2 ILE 82 -9.168 2.146 -6.127 640 HG22 ILE 82 2HG2 ILE 82 -9.785 3.679 -6.739 641 HG23 ILE 82 3HG2 ILE 82 -9.073 2.510 -7.850 642 HD11 ILE 82 1HD1 ILE 82 -4.650 3.239 -5.939 643 HD12 ILE 82 2HD1 ILE 82 -5.903 3.718 -4.793 644 HD13 ILE 82 3HD1 ILE 82 -5.271 2.072 -4.772 645 H SER 83 H SER 83 -8.276 6.328 -6.549 646 HA SER 83 HA SER 83 -10.134 7.105 -8.683 647 HB2 SER 83 1HB SER 83 -11.264 5.647 -6.932 648 HB3 SER 83 2HB SER 83 -10.981 6.958 -5.787 649 HG SER 83 HG SER 83 -12.687 6.862 -8.007 650 H GLY 84 H GLY 84 -11.358 9.219 -7.761 651 HA2 GLY 84 1HA GLY 84 -11.171 11.370 -6.887 652 HA3 GLY 84 2HA GLY 84 -9.592 10.944 -6.245 653 H THR 85 H THR 85 -10.664 13.259 -7.889 654 HA THR 85 HA THR 85 -9.539 13.163 -10.466 655 HB THR 85 HB THR 85 -11.180 14.900 -9.425 656 HG1 THR 85 HG1 THR 85 -10.650 15.131 -11.551 657 HG21 THR 85 1HG2 THR 85 -9.559 15.620 -7.669 658 HG22 THR 85 2HG2 THR 85 -10.172 16.945 -8.658 659 HG23 THR 85 3HG2 THR 85 -8.554 16.307 -8.944 660 H SER 86 H SER 86 -7.636 14.181 -11.279 661 HA SER 86 HA SER 86 -5.270 13.490 -10.128 662 HB2 SER 86 1HB SER 86 -4.246 15.367 -11.521 663 HB3 SER 86 2HB SER 86 -5.241 14.203 -12.395 664 HG SER 86 HG SER 86 -5.547 16.836 -12.238 665 H ILE 87 H ILE 87 -6.625 16.790 -10.010 666 HA ILE 87 HA ILE 87 -4.863 18.097 -8.456 667 HB ILE 87 HB ILE 87 -7.868 18.169 -8.305 668 HG12 ILE 87 1HG1 ILE 87 -7.229 20.534 -9.274 669 HG13 ILE 87 2HG1 ILE 87 -5.717 19.731 -9.682 670 HG21 ILE 87 1HG2 ILE 87 -5.884 19.471 -6.559 671 HG22 ILE 87 2HG2 ILE 87 -7.152 20.518 -7.196 672 HG23 ILE 87 3HG2 ILE 87 -7.579 19.084 -6.264 673 HD11 ILE 87 1HD1 ILE 87 -6.636 18.679 -11.407 674 HD12 ILE 87 2HD1 ILE 87 -8.044 18.187 -10.466 675 HD13 ILE 87 3HD1 ILE 87 -7.995 19.785 -11.211 676 H ALA 88 H ALA 88 -7.461 16.035 -7.151 677 HA ALA 88 HA ALA 88 -6.795 16.294 -4.450 678 HB1 ALA 88 1HB ALA 88 -8.833 15.155 -5.688 679 HB2 ALA 88 2HB ALA 88 -7.873 13.700 -5.416 680 HB3 ALA 88 3HB ALA 88 -8.372 14.696 -4.049 681 H PHE 89 H PHE 89 -5.849 13.767 -6.775 682 HA PHE 89 HA PHE 89 -4.295 12.222 -5.066 683 HB2 PHE 89 1HB PHE 89 -4.943 11.512 -7.331 684 HB3 PHE 89 2HB PHE 89 -3.864 12.721 -8.019 685 HD1 PHE 89 HD1 PHE 89 -3.363 10.334 -5.206 686 HD2 PHE 89 HD2 PHE 89 -2.182 11.574 -9.103 687 HE1 PHE 89 HE1 PHE 89 -1.518 8.706 -5.162 688 HE2 PHE 89 HE2 PHE 89 -0.337 9.947 -9.066 689 HZ PHE 89 HZ PHE 89 -0.003 8.510 -7.094 690 H LYS 90 H LYS 90 -3.218 14.816 -7.259 691 HA LYS 90 HA LYS 90 -0.527 14.811 -6.540 692 HB2 LYS 90 1HB LYS 90 -0.474 17.125 -7.412 693 HB3 LYS 90 2HB LYS 90 -1.318 16.017 -8.488 694 HG2 LYS 90 1HG LYS 90 -3.444 16.861 -7.806 695 HG3 LYS 90 2HG LYS 90 -2.706 17.826 -6.525 696 HD2 LYS 90 1HD LYS 90 -3.120 19.359 -8.248 697 HD3 LYS 90 2HD LYS 90 -1.402 18.982 -8.400 698 HE2 LYS 90 1HE LYS 90 -2.325 17.116 -10.029 699 HE3 LYS 90 2HE LYS 90 -3.682 18.235 -10.159 700 HZ1 LYS 90 1HZ LYS 90 -2.468 19.697 -11.321 701 HZ2 LYS 90 2HZ LYS 90 -1.466 18.375 -11.650 702 HZ3 LYS 90 3HZ LYS 90 -1.067 19.450 -10.405 703 H ASN 91 H ASN 91 -3.272 16.491 -5.089 704 HA ASN 91 HA ASN 91 -1.898 18.151 -3.325 705 HB2 ASN 91 1HB ASN 91 -4.629 16.978 -3.424 706 HB3 ASN 91 2HB ASN 91 -4.099 17.649 -1.885 707 HD21 ASN 91 1HD2 ASN 91 -5.606 19.305 -1.990 708 HD22 ASN 91 2HD2 ASN 91 -5.428 20.645 -3.067 709 H ILE 92 H ILE 92 -3.628 15.239 -2.240 710 HA ILE 92 HA ILE 92 -2.361 14.943 0.184 711 HB ILE 92 HB ILE 92 -4.326 13.636 -0.419 712 HG12 ILE 92 1HG1 ILE 92 -3.491 11.368 0.382 713 HG13 ILE 92 2HG1 ILE 92 -1.870 12.053 0.343 714 HG21 ILE 92 1HG2 ILE 92 -2.505 12.015 -2.192 715 HG22 ILE 92 2HG2 ILE 92 -4.231 11.766 -1.932 716 HG23 ILE 92 3HG2 ILE 92 -3.666 13.211 -2.769 717 HD11 ILE 92 1HD1 ILE 92 -2.573 12.243 2.563 718 HD12 ILE 92 2HD1 ILE 92 -2.775 13.859 1.884 719 HD13 ILE 92 3HD1 ILE 92 -4.177 12.810 2.098 720 H ALA 93 H ALA 93 -1.449 13.438 -2.909 721 HA ALA 93 HA ALA 93 0.680 11.902 -2.135 722 HB1 ALA 93 1HB ALA 93 0.144 13.461 -4.630 723 HB2 ALA 93 2HB ALA 93 1.659 12.578 -4.438 724 HB3 ALA 93 3HB ALA 93 0.122 11.716 -4.373 725 H SER 94 H SER 94 0.805 15.349 -3.027 726 HA SER 94 HA SER 94 3.485 15.839 -2.752 727 HB2 SER 94 1HB SER 94 1.044 17.497 -2.294 728 HB3 SER 94 2HB SER 94 2.601 18.149 -1.783 729 HG SER 94 HG SER 94 2.240 17.075 -4.366 730 H LYS 95 H LYS 95 1.181 15.147 -0.261 731 HA LYS 95 HA LYS 95 2.778 16.118 1.914 732 HB2 LYS 95 1HB LYS 95 0.475 14.161 1.981 733 HB3 LYS 95 2HB LYS 95 1.129 15.053 3.348 734 HG2 LYS 95 1HG LYS 95 -0.059 16.416 0.951 735 HG3 LYS 95 2HG LYS 95 -1.021 15.924 2.347 736 HD2 LYS 95 1HD LYS 95 0.039 17.431 3.765 737 HD3 LYS 95 2HD LYS 95 1.446 17.585 2.710 738 HE2 LYS 95 1HE LYS 95 -0.002 18.729 1.046 739 HE3 LYS 95 2HE LYS 95 -1.324 18.671 2.211 740 HZ1 LYS 95 1HZ LYS 95 0.582 19.794 3.683 741 HZ2 LYS 95 2HZ LYS 95 -0.524 20.683 2.764 742 HZ3 LYS 95 3HZ LYS 95 1.025 20.376 2.157 743 H ILE 96 H ILE 96 1.792 12.815 0.985 744 HA ILE 96 HA ILE 96 3.509 11.443 2.679 745 HB ILE 96 HB ILE 96 2.717 10.494 -0.073 746 HG12 ILE 96 1HG1 ILE 96 0.693 11.221 0.972 747 HG13 ILE 96 2HG1 ILE 96 0.751 9.470 1.137 748 HG21 ILE 96 1HG2 ILE 96 4.294 9.327 1.887 749 HG22 ILE 96 2HG2 ILE 96 2.720 8.556 2.075 750 HG23 ILE 96 3HG2 ILE 96 3.542 8.512 0.516 751 HD11 ILE 96 1HD1 ILE 96 1.488 9.695 3.436 752 HD12 ILE 96 2HD1 ILE 96 1.489 11.452 3.276 753 HD13 ILE 96 3HD1 ILE 96 -0.027 10.557 3.174 754 H ALA 97 H ALA 97 4.021 11.867 -0.829 755 HA ALA 97 HA ALA 97 6.521 10.942 -1.152 756 HB1 ALA 97 1HB ALA 97 6.102 11.787 -3.160 757 HB2 ALA 97 2HB ALA 97 4.894 12.888 -2.496 758 HB3 ALA 97 3HB ALA 97 6.590 13.368 -2.550 759 H ASN 98 H ASN 98 5.712 14.108 0.216 760 HA ASN 98 HA ASN 98 8.412 14.948 0.537 761 HB2 ASN 98 1HB ASN 98 6.507 16.526 0.425 762 HB3 ASN 98 2HB ASN 98 5.933 15.920 1.976 763 HD21 ASN 98 1HD2 ASN 98 7.077 16.418 3.849 764 HD22 ASN 98 2HD2 ASN 98 8.230 17.703 3.901 765 H GLU 99 H GLU 99 5.982 14.021 2.984 766 HA GLU 99 HA GLU 99 7.534 13.947 5.216 767 HB2 GLU 99 1HB GLU 99 5.182 12.357 4.322 768 HB3 GLU 99 2HB GLU 99 6.042 11.800 5.750 769 HG2 GLU 99 1HG GLU 99 4.677 14.441 5.334 770 HG3 GLU 99 2HG GLU 99 4.268 13.176 6.491 771 H LEU 100 H LEU 100 7.260 11.395 2.774 772 HA LEU 100 HA LEU 100 8.710 9.381 3.940 773 HB2 LEU 100 1HB LEU 100 8.655 10.279 1.068 774 HB3 LEU 100 2HB LEU 100 9.422 8.785 1.601 775 HG LEU 100 HG LEU 100 6.487 9.461 1.767 776 HD11 LEU 100 1HD1 LEU 100 7.666 8.771 -0.453 777 HD12 LEU 100 2HD1 LEU 100 6.142 8.015 0.012 778 HD13 LEU 100 3HD1 LEU 100 7.664 7.163 0.272 779 HD21 LEU 100 1HD2 LEU 100 7.116 8.166 3.702 780 HD22 LEU 100 2HD2 LEU 100 7.994 7.018 2.692 781 HD23 LEU 100 3HD2 LEU 100 6.238 7.136 2.570 782 H LYS 101 H LYS 101 10.392 10.139 5.218 783 HA LYS 101 HA LYS 101 12.497 11.759 4.114 784 HB2 LYS 101 1HB LYS 101 11.888 10.533 6.755 785 HB3 LYS 101 2HB LYS 101 13.571 10.908 6.410 786 HG2 LYS 101 1HG LYS 101 13.107 13.210 6.161 787 HG3 LYS 101 2HG LYS 101 11.365 12.927 6.117 788 HD2 LYS 101 1HD LYS 101 11.641 13.652 8.283 789 HD3 LYS 101 2HD LYS 101 11.778 11.905 8.493 790 HE2 LYS 101 1HE LYS 101 14.054 11.992 8.838 791 HE3 LYS 101 2HE LYS 101 14.237 13.505 7.951 792 HZ1 LYS 101 1HZ LYS 101 12.592 13.819 10.260 793 HZ2 LYS 101 2HZ LYS 101 13.980 14.671 9.807 794 HZ3 LYS 101 3HZ LYS 101 14.121 13.222 10.669 795 H LEU 102 H LEU 102 12.755 10.107 2.308 796 HA LEU 102 HA LEU 102 14.493 7.882 3.111 797 HB2 LEU 102 1HB LEU 102 13.236 8.407 0.424 798 HB3 LEU 102 2HB LEU 102 14.078 6.944 0.930 799 HG LEU 102 HG LEU 102 11.574 7.846 2.315 800 HD11 LEU 102 1HD1 LEU 102 10.209 6.697 0.804 801 HD12 LEU 102 2HD1 LEU 102 11.582 5.924 0.011 802 HD13 LEU 102 3HD1 LEU 102 11.289 7.648 -0.216 803 HD21 LEU 102 1HD2 LEU 102 11.452 5.646 3.084 804 HD22 LEU 102 2HD2 LEU 102 13.168 6.040 3.192 805 HD23 LEU 102 3HD2 LEU 102 12.571 5.054 1.856 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 11.632 21.546 -8.775 2 HA2 GLY 1 1HA GLY 1 12.558 19.065 -9.746 3 HA3 GLY 1 2HA GLY 1 11.157 19.301 -8.712 4 H SER 2 H SER 2 12.151 19.740 -12.104 5 HA SER 2 HA SER 2 9.467 19.579 -13.076 6 HB2 SER 2 1HB SER 2 12.156 19.502 -14.450 7 HB3 SER 2 2HB SER 2 10.631 19.393 -15.329 8 HG SER 2 HG SER 2 10.210 21.430 -13.924 9 H SER 3 H SER 3 9.001 17.945 -14.906 10 HA SER 3 HA SER 3 8.760 15.407 -13.803 11 HB2 SER 3 1HB SER 3 8.062 14.669 -16.034 12 HB3 SER 3 2HB SER 3 7.350 16.236 -15.650 13 HG SER 3 HG SER 3 9.802 16.216 -16.979 14 H GLY 4 H GLY 4 10.241 13.913 -13.396 15 HA2 GLY 4 1HA GLY 4 12.912 14.018 -14.118 16 HA3 GLY 4 2HA GLY 4 12.078 12.553 -13.619 17 H SER 5 H SER 5 10.307 12.179 -15.689 18 HA SER 5 HA SER 5 11.741 12.274 -18.199 19 HB2 SER 5 1HB SER 5 11.073 9.598 -16.950 20 HB3 SER 5 2HB SER 5 11.780 9.856 -18.545 21 HG SER 5 HG SER 5 12.957 10.551 -16.055 22 H SER 6 H SER 6 10.404 10.843 -19.857 23 HA SER 6 HA SER 6 7.551 11.393 -19.360 24 HB2 SER 6 1HB SER 6 9.152 11.733 -21.900 25 HB3 SER 6 2HB SER 6 7.390 11.753 -21.860 26 HG SER 6 HG SER 6 8.835 13.808 -21.568 27 H GLY 7 H GLY 7 8.493 8.968 -18.618 28 HA2 GLY 7 1HA GLY 7 8.322 7.036 -20.738 29 HA3 GLY 7 2HA GLY 7 8.398 6.693 -19.016 30 H ARG 8 H ARG 8 6.798 5.100 -19.165 31 HA ARG 8 HA ARG 8 4.341 5.251 -20.385 32 HB2 ARG 8 1HB ARG 8 5.218 3.231 -19.280 33 HB3 ARG 8 2HB ARG 8 4.947 3.977 -17.711 34 HG2 ARG 8 1HG ARG 8 3.087 2.662 -17.896 35 HG3 ARG 8 2HG ARG 8 2.485 4.180 -18.564 36 HD2 ARG 8 1HD ARG 8 3.193 3.257 -20.836 37 HD3 ARG 8 2HD ARG 8 3.340 1.698 -20.025 38 HE ARG 8 HE ARG 8 0.810 2.868 -19.509 39 HH11 ARG 8 1HH1 ARG 8 2.636 1.225 -21.976 40 HH12 ARG 8 2HH1 ARG 8 1.237 0.563 -22.754 41 HH21 ARG 8 1HH2 ARG 8 -1.040 2.002 -20.524 42 HH22 ARG 8 2HH2 ARG 8 -0.853 1.006 -21.928 43 H PHE 9 H PHE 9 2.917 6.856 -20.276 44 HA PHE 9 HA PHE 9 1.672 8.597 -19.475 45 HB2 PHE 9 1HB PHE 9 0.556 6.509 -18.549 46 HB3 PHE 9 2HB PHE 9 1.359 6.865 -17.023 47 HD1 PHE 9 HD2 PHE 9 -0.630 8.737 -19.572 48 HD2 PHE 9 HD1 PHE 9 0.057 7.898 -15.456 49 HE1 PHE 9 HE2 PHE 9 -2.474 10.246 -18.960 50 HE2 PHE 9 HE1 PHE 9 -1.786 9.406 -14.837 51 HZ PHE 9 HZ PHE 9 -3.054 10.583 -16.590 52 H THR 10 H THR 10 4.536 8.650 -18.830 53 HA THR 10 HA THR 10 6.031 9.827 -17.575 54 HB THR 10 HB THR 10 3.672 11.539 -16.784 55 HG1 THR 10 HG1 THR 10 5.312 11.877 -19.083 56 HG21 THR 10 1HG2 THR 10 6.286 11.698 -16.001 57 HG22 THR 10 2HG2 THR 10 5.164 13.058 -16.058 58 HG23 THR 10 3HG2 THR 10 6.262 12.763 -17.406 59 H TRP 11 H TRP 11 4.906 7.564 -16.297 60 HA TRP 11 HA TRP 11 4.299 8.307 -13.568 61 HB2 TRP 11 1HB TRP 11 3.419 6.254 -14.945 62 HB3 TRP 11 2HB TRP 11 4.919 5.500 -14.413 63 HD1 TRP 11 HD1 TRP 11 2.935 7.849 -12.122 64 HE1 TRP 11 HE1 TRP 11 2.054 6.488 -10.123 65 HE3 TRP 11 HE3 TRP 11 4.276 3.166 -13.674 66 HZ2 TRP 11 HZ2 TRP 11 1.942 3.787 -9.311 67 HZ3 TRP 11 HZ3 TRP 11 3.746 1.247 -12.227 68 HH2 TRP 11 HH2 TRP 11 2.604 1.554 -10.091 69 H SER 12 H SER 12 6.407 9.491 -13.411 70 HA SER 12 HA SER 12 8.414 7.690 -12.272 71 HB2 SER 12 1HB SER 12 10.246 8.780 -13.400 72 HB3 SER 12 2HB SER 12 9.088 8.255 -14.622 73 HG SER 12 HG SER 12 8.396 10.340 -14.857 74 H MET 13 H MET 13 10.182 9.091 -11.157 75 HA MET 13 HA MET 13 9.532 11.685 -10.252 76 HB2 MET 13 1HB MET 13 9.151 10.917 -7.808 77 HB3 MET 13 2HB MET 13 7.798 10.870 -8.930 78 HG2 MET 13 1HG MET 13 7.918 8.537 -9.146 79 HG3 MET 13 2HG MET 13 9.518 8.471 -8.410 80 HE1 MET 13 1HE MET 13 9.961 7.945 -6.098 81 HE2 MET 13 2HE MET 13 8.698 7.350 -5.020 82 HE3 MET 13 3HE MET 13 8.935 6.600 -6.599 83 H LYS 14 H LYS 14 10.793 12.010 -7.979 84 HA LYS 14 HA LYS 14 13.395 10.658 -8.267 85 HB2 LYS 14 1HB LYS 14 12.755 13.570 -8.050 86 HB3 LYS 14 2HB LYS 14 14.252 12.976 -7.344 87 HG2 LYS 14 1HG LYS 14 14.703 11.925 -9.628 88 HG3 LYS 14 2HG LYS 14 13.404 12.965 -10.218 89 HD2 LYS 14 1HD LYS 14 15.626 14.139 -8.600 90 HD3 LYS 14 2HD LYS 14 15.883 13.782 -10.309 91 HE2 LYS 14 1HE LYS 14 13.664 15.079 -10.652 92 HE3 LYS 14 2HE LYS 14 13.985 15.720 -9.041 93 HZ1 LYS 14 1HZ LYS 14 16.063 16.602 -9.797 94 HZ2 LYS 14 2HZ LYS 14 14.849 17.131 -10.848 95 HZ3 LYS 14 3HZ LYS 14 15.886 15.880 -11.317 96 H THR 15 H THR 15 11.518 9.686 -6.535 97 HA THR 15 HA THR 15 12.492 10.584 -3.901 98 HB THR 15 HB THR 15 9.870 9.189 -4.462 99 HG1 THR 15 HG1 THR 15 10.023 11.394 -5.280 100 HG21 THR 15 1HG2 THR 15 9.707 8.945 -2.255 101 HG22 THR 15 2HG2 THR 15 9.956 10.675 -2.023 102 HG23 THR 15 3HG2 THR 15 11.340 9.584 -2.080 103 H THR 16 H THR 16 14.136 9.215 -3.465 104 HA THR 16 HA THR 16 13.644 6.328 -3.770 105 HB THR 16 HB THR 16 16.126 6.083 -3.590 106 HG1 THR 16 HG1 THR 16 17.390 7.939 -3.727 107 HG21 THR 16 1HG2 THR 16 15.983 6.009 -5.811 108 HG22 THR 16 2HG2 THR 16 16.215 7.757 -5.865 109 HG23 THR 16 3HG2 THR 16 14.587 7.085 -5.782 110 H SER 17 H SER 17 15.334 5.175 -2.102 111 HA SER 17 HA SER 17 14.817 6.330 0.555 112 HB2 SER 17 1HB SER 17 14.378 4.011 1.383 113 HB3 SER 17 2HB SER 17 13.168 4.587 0.237 114 HG SER 17 HG SER 17 14.741 2.429 0.069 115 H SER 18 H SER 18 16.733 4.080 -1.383 116 HA SER 18 HA SER 18 18.910 3.429 -1.252 117 HB2 SER 18 1HB SER 18 19.144 5.984 -0.868 118 HB3 SER 18 2HB SER 18 19.416 5.551 0.820 119 HG SER 18 HG SER 18 21.327 5.720 -0.604 120 H MET 19 H MET 19 17.277 1.870 0.144 121 HA MET 19 HA MET 19 18.951 0.705 2.092 122 HB2 MET 19 1HB MET 19 17.369 0.996 4.046 123 HB3 MET 19 2HB MET 19 18.301 2.419 3.598 124 HG2 MET 19 1HG MET 19 16.322 3.224 2.318 125 HG3 MET 19 2HG MET 19 15.411 1.868 2.980 126 HE1 MET 19 1HE MET 19 14.451 1.624 4.914 127 HE2 MET 19 2HE MET 19 14.456 2.653 6.347 128 HE3 MET 19 3HE MET 19 13.534 3.131 4.921 129 H ASP 20 H ASP 20 17.984 -1.226 3.072 130 HA ASP 20 HA ASP 20 16.735 -2.885 1.304 131 HB2 ASP 20 1HB ASP 20 16.970 -2.871 4.274 132 HB3 ASP 20 2HB ASP 20 15.846 -4.017 3.548 133 HA PRO 21 HA PRO 21 12.534 -1.630 0.977 134 HB2 PRO 21 1HB PRO 21 11.415 -3.991 0.240 135 HB3 PRO 21 2HB PRO 21 12.413 -3.020 -0.849 136 HG2 PRO 21 1HG PRO 21 13.162 -5.425 0.769 137 HG3 PRO 21 2HG PRO 21 13.585 -5.028 -0.907 138 HD2 PRO 21 1HD PRO 21 15.298 -4.650 1.156 139 HD3 PRO 21 2HD PRO 21 15.278 -3.598 -0.274 140 H SER 22 H SER 22 13.435 -4.319 3.025 141 HA SER 22 HA SER 22 10.983 -4.862 4.240 142 HB2 SER 22 1HB SER 22 13.227 -6.111 4.463 143 HB3 SER 22 2HB SER 22 13.596 -4.951 5.738 144 HG SER 22 HG SER 22 11.851 -7.079 5.737 145 H ASP 23 H ASP 23 13.382 -2.379 4.918 146 HA ASP 23 HA ASP 23 12.113 -1.456 7.312 147 HB2 ASP 23 1HB ASP 23 14.273 -0.325 5.539 148 HB3 ASP 23 2HB ASP 23 13.650 0.558 6.930 149 H MET 24 H MET 24 12.156 -0.409 3.931 150 HA MET 24 HA MET 24 10.852 1.984 4.045 151 HB2 MET 24 1HB MET 24 10.872 -0.238 2.064 152 HB3 MET 24 2HB MET 24 9.676 1.034 1.850 153 HG2 MET 24 1HG MET 24 12.518 1.792 2.296 154 HG3 MET 24 2HG MET 24 12.030 1.180 0.717 155 HE1 MET 24 1HE MET 24 9.944 2.294 -0.667 156 HE2 MET 24 2HE MET 24 10.308 3.992 -0.970 157 HE3 MET 24 3HE MET 24 11.588 2.783 -1.080 158 H MET 25 H MET 25 9.127 -1.094 3.490 159 HA MET 25 HA MET 25 6.556 -0.297 3.700 160 HB2 MET 25 1HB MET 25 7.880 -2.785 4.753 161 HB3 MET 25 2HB MET 25 6.142 -2.551 4.876 162 HG2 MET 25 1HG MET 25 7.746 -2.584 2.330 163 HG3 MET 25 2HG MET 25 6.723 -3.886 2.934 164 HE1 MET 25 1HE MET 25 4.378 -3.910 3.160 165 HE2 MET 25 2HE MET 25 3.237 -2.989 2.180 166 HE3 MET 25 3HE MET 25 4.360 -4.109 1.407 167 H ARG 26 H ARG 26 8.781 -0.801 6.394 168 HA ARG 26 HA ARG 26 6.877 -0.417 8.454 169 HB2 ARG 26 1HB ARG 26 9.124 -1.495 8.728 170 HB3 ARG 26 2HB ARG 26 9.850 0.100 8.589 171 HG2 ARG 26 1HG ARG 26 9.147 0.757 10.656 172 HG3 ARG 26 2HG ARG 26 7.734 -0.299 10.632 173 HD2 ARG 26 1HD ARG 26 10.430 -1.552 10.653 174 HD3 ARG 26 2HD ARG 26 9.842 -0.819 12.145 175 HE ARG 26 HE ARG 26 7.930 -2.576 10.940 176 HH11 ARG 26 1HH1 ARG 26 10.744 -2.424 12.984 177 HH12 ARG 26 2HH1 ARG 26 10.386 -3.905 13.809 178 HH21 ARG 26 1HH2 ARG 26 7.447 -4.527 12.019 179 HH22 ARG 26 2HH2 ARG 26 8.511 -5.101 13.259 180 H GLU 27 H GLU 27 9.396 1.774 7.191 181 HA GLU 27 HA GLU 27 8.685 4.029 8.649 182 HB2 GLU 27 1HB GLU 27 10.762 3.834 7.340 183 HB3 GLU 27 2HB GLU 27 9.830 3.926 5.853 184 HG2 GLU 27 1HG GLU 27 10.888 6.053 6.399 185 HG3 GLU 27 2HG GLU 27 9.130 6.178 6.392 186 H ILE 28 H ILE 28 7.750 3.247 5.296 187 HA ILE 28 HA ILE 28 6.133 5.314 4.659 188 HB ILE 28 HB ILE 28 5.612 2.389 4.135 189 HG12 ILE 28 1HG1 ILE 28 6.580 4.443 2.167 190 HG13 ILE 28 2HG1 ILE 28 7.709 3.646 3.257 191 HG21 ILE 28 1HG2 ILE 28 3.541 3.732 3.965 192 HG22 ILE 28 2HG2 ILE 28 4.338 4.757 2.772 193 HG23 ILE 28 3HG2 ILE 28 4.053 3.052 2.420 194 HD11 ILE 28 1HD1 ILE 28 7.783 1.867 1.950 195 HD12 ILE 28 2HD1 ILE 28 6.027 1.704 1.990 196 HD13 ILE 28 3HD1 ILE 28 6.789 2.740 0.783 197 H ARG 29 H ARG 29 5.125 2.486 6.567 198 HA ARG 29 HA ARG 29 2.467 3.274 6.976 199 HB2 ARG 29 1HB ARG 29 4.346 1.450 8.438 200 HB3 ARG 29 2HB ARG 29 2.765 1.809 9.118 201 HG2 ARG 29 1HG ARG 29 1.647 0.847 7.266 202 HG3 ARG 29 2HG ARG 29 3.143 0.745 6.334 203 HD2 ARG 29 1HD ARG 29 2.878 -1.429 7.074 204 HD3 ARG 29 2HD ARG 29 3.960 -0.749 8.289 205 HE ARG 29 HE ARG 29 1.218 -1.585 8.665 206 HH11 ARG 29 1HH1 ARG 29 3.895 0.260 9.910 207 HH12 ARG 29 2HH1 ARG 29 3.311 0.251 11.541 208 HH21 ARG 29 1HH2 ARG 29 0.439 -1.604 10.809 209 HH22 ARG 29 2HH2 ARG 29 1.346 -0.810 12.052 210 H LYS 30 H LYS 30 5.382 3.863 8.907 211 HA LYS 30 HA LYS 30 4.228 5.113 11.097 212 HB2 LYS 30 1HB LYS 30 6.537 4.571 11.197 213 HB3 LYS 30 2HB LYS 30 6.896 5.507 9.752 214 HG2 LYS 30 1HG LYS 30 6.740 7.537 10.876 215 HG3 LYS 30 2HG LYS 30 5.836 6.832 12.218 216 HD2 LYS 30 1HD LYS 30 7.712 5.987 13.218 217 HD3 LYS 30 2HD LYS 30 8.578 5.810 11.690 218 HE2 LYS 30 1HE LYS 30 9.635 7.558 12.917 219 HE3 LYS 30 2HE LYS 30 8.742 8.305 11.593 220 HZ1 LYS 30 1HZ LYS 30 7.166 8.069 13.966 221 HZ2 LYS 30 2HZ LYS 30 7.482 9.432 13.015 222 HZ3 LYS 30 3HZ LYS 30 8.569 8.978 14.230 223 H VAL 31 H VAL 31 5.315 6.550 8.036 224 HA VAL 31 HA VAL 31 4.727 9.218 8.660 225 HB VAL 31 HB VAL 31 4.727 7.841 5.971 226 HG11 VAL 31 1HG1 VAL 31 4.035 10.557 6.744 227 HG12 VAL 31 2HG1 VAL 31 5.347 10.497 5.565 228 HG13 VAL 31 3HG1 VAL 31 3.802 9.724 5.208 229 HG21 VAL 31 1HG2 VAL 31 6.901 9.669 6.562 230 HG22 VAL 31 2HG2 VAL 31 6.821 8.336 7.714 231 HG23 VAL 31 3HG2 VAL 31 6.953 8.003 5.987 232 H LEU 32 H LEU 32 2.825 7.056 6.549 233 HA LEU 32 HA LEU 32 0.599 8.539 6.155 234 HB2 LEU 32 1HB LEU 32 0.771 5.592 6.745 235 HB3 LEU 32 2HB LEU 32 -0.692 6.383 6.163 236 HG LEU 32 HG LEU 32 1.890 6.473 4.626 237 HD11 LEU 32 1HD1 LEU 32 1.434 4.504 3.542 238 HD12 LEU 32 2HD1 LEU 32 -0.280 4.544 3.955 239 HD13 LEU 32 3HD1 LEU 32 0.912 4.111 5.181 240 HD21 LEU 32 1HD2 LEU 32 -0.894 6.599 3.535 241 HD22 LEU 32 2HD2 LEU 32 0.607 7.220 2.846 242 HD23 LEU 32 3HD2 LEU 32 -0.134 8.034 4.224 243 H GLY 33 H GLY 33 0.993 6.314 8.922 244 HA2 GLY 33 1HA GLY 33 -1.304 6.728 10.299 245 HA3 GLY 33 2HA GLY 33 0.250 6.541 11.099 246 H ALA 34 H ALA 34 1.469 8.929 10.251 247 HA ALA 34 HA ALA 34 0.493 10.729 12.189 248 HB1 ALA 34 1HB ALA 34 2.253 12.134 11.589 249 HB2 ALA 34 2HB ALA 34 2.859 10.521 11.211 250 HB3 ALA 34 3HB ALA 34 2.264 11.565 9.920 251 H ASN 35 H ASN 35 0.165 10.625 8.666 252 HA ASN 35 HA ASN 35 -1.438 13.046 8.655 253 HB2 ASN 35 1HB ASN 35 -0.975 11.230 6.297 254 HB3 ASN 35 2HB ASN 35 -1.327 12.955 6.297 255 HD21 ASN 35 1HD2 ASN 35 1.080 10.571 6.314 256 HD22 ASN 35 2HD2 ASN 35 2.450 11.614 6.450 257 H ASN 36 H ASN 36 -2.544 10.961 10.181 258 HA ASN 36 HA ASN 36 -4.346 9.520 10.345 259 HB2 ASN 36 1HB ASN 36 -5.148 11.943 10.547 260 HB3 ASN 36 2HB ASN 36 -5.759 11.762 8.906 261 HD21 ASN 36 1HD2 ASN 36 -7.761 12.304 10.168 262 HD22 ASN 36 2HD2 ASN 36 -8.670 10.977 10.798 263 H CYS 37 H CYS 37 -2.895 8.697 8.173 264 HA CYS 37 HA CYS 37 -4.830 8.308 6.007 265 HB2 CYS 37 1HB CYS 37 -1.849 8.021 6.207 266 HB3 CYS 37 2HB CYS 37 -2.732 7.208 4.920 267 HG CYS 37 HG CYS 37 -2.754 10.588 5.460 268 H ASP 38 H ASP 38 -5.595 6.324 5.420 269 HA ASP 38 HA ASP 38 -5.184 4.177 7.364 270 HB2 ASP 38 1HB ASP 38 -7.492 5.103 6.465 271 HB3 ASP 38 2HB ASP 38 -7.175 3.982 5.144 272 H TYR 39 H TYR 39 -4.004 2.437 6.923 273 HA TYR 39 HA TYR 39 -3.367 1.858 4.104 274 HB2 TYR 39 1HB TYR 39 -1.185 0.917 5.050 275 HB3 TYR 39 2HB TYR 39 -1.350 2.669 5.021 276 HD1 TYR 39 HD1 TYR 39 -2.075 3.826 7.186 277 HD2 TYR 39 HD2 TYR 39 -0.701 -0.198 7.049 278 HE1 TYR 39 HE1 TYR 39 -1.594 3.915 9.596 279 HE2 TYR 39 HE2 TYR 39 -0.217 -0.121 9.459 280 HH TYR 39 HH TYR 39 -1.293 1.480 11.502 281 H GLU 40 H GLU 40 -3.349 -0.272 3.457 282 HA GLU 40 HA GLU 40 -3.890 -2.348 5.437 283 HB2 GLU 40 1HB GLU 40 -6.044 -1.281 4.355 284 HB3 GLU 40 2HB GLU 40 -5.611 -2.306 2.994 285 HG2 GLU 40 1HG GLU 40 -6.994 -3.716 4.111 286 HG3 GLU 40 2HG GLU 40 -5.462 -4.150 4.867 287 H GLN 41 H GLN 41 -3.245 -4.397 4.822 288 HA GLN 41 HA GLN 41 -1.262 -4.509 2.764 289 HB2 GLN 41 1HB GLN 41 -1.327 -5.780 5.016 290 HB3 GLN 41 2HB GLN 41 -2.381 -6.912 4.180 291 HG2 GLN 41 1HG GLN 41 -0.385 -7.926 3.824 292 HG3 GLN 41 2HG GLN 41 -0.434 -6.881 2.406 293 HE21 GLN 41 1HE2 GLN 41 1.924 -7.326 2.560 294 HE22 GLN 41 2HE2 GLN 41 2.879 -6.257 3.524 295 H ARG 42 H ARG 42 -2.044 -4.352 0.729 296 HA ARG 42 HA ARG 42 -4.374 -5.898 -0.069 297 HB2 ARG 42 1HB ARG 42 -2.770 -3.690 -1.255 298 HB3 ARG 42 2HB ARG 42 -3.605 -4.769 -2.365 299 HG2 ARG 42 1HG ARG 42 -5.119 -3.596 -0.086 300 HG3 ARG 42 2HG ARG 42 -4.750 -2.589 -1.488 301 HD2 ARG 42 1HD ARG 42 -5.929 -4.028 -2.949 302 HD3 ARG 42 2HD ARG 42 -6.032 -5.298 -1.730 303 HE ARG 42 HE ARG 42 -7.358 -3.199 -0.615 304 HH11 ARG 42 1HH1 ARG 42 -7.620 -4.934 -3.622 305 HH12 ARG 42 2HH1 ARG 42 -9.326 -4.672 -3.775 306 HH21 ARG 42 1HH2 ARG 42 -9.604 -2.848 -0.805 307 HH22 ARG 42 2HH2 ARG 42 -10.453 -3.484 -2.172 308 H GLU 43 H GLU 43 -1.071 -5.481 -1.363 309 HA GLU 43 HA GLU 43 -1.167 -8.301 -2.218 310 HB2 GLU 43 1HB GLU 43 0.410 -6.081 -3.527 311 HB3 GLU 43 2HB GLU 43 0.239 -7.735 -4.099 312 HG2 GLU 43 1HG GLU 43 -2.195 -6.057 -3.744 313 HG3 GLU 43 2HG GLU 43 -1.165 -5.807 -5.152 314 H ARG 44 H ARG 44 1.321 -8.911 -2.788 315 HA ARG 44 HA ARG 44 2.581 -9.428 -0.408 316 HB2 ARG 44 1HB ARG 44 3.120 -10.490 -2.593 317 HB3 ARG 44 2HB ARG 44 3.970 -9.023 -3.061 318 HG2 ARG 44 1HG ARG 44 5.674 -10.410 -2.345 319 HG3 ARG 44 2HG ARG 44 5.358 -9.411 -0.925 320 HD2 ARG 44 1HD ARG 44 5.463 -11.536 -0.019 321 HD3 ARG 44 2HD ARG 44 3.730 -11.314 -0.259 322 HE ARG 44 HE ARG 44 4.438 -12.512 -2.540 323 HH11 ARG 44 1HH1 ARG 44 5.192 -13.251 0.778 324 HH12 ARG 44 2HH1 ARG 44 5.324 -14.956 0.505 325 HH21 ARG 44 1HH2 ARG 44 4.608 -14.756 -2.912 326 HH22 ARG 44 2HH2 ARG 44 4.992 -15.812 -1.595 327 H PHE 45 H PHE 45 3.327 -6.773 -2.659 328 HA PHE 45 HA PHE 45 4.501 -5.307 -0.397 329 HB2 PHE 45 1HB PHE 45 5.660 -5.728 -3.142 330 HB3 PHE 45 2HB PHE 45 6.113 -4.335 -2.164 331 HD1 PHE 45 HD2 PHE 45 7.363 -4.630 -0.086 332 HD2 PHE 45 HD1 PHE 45 6.413 -7.932 -2.598 333 HE1 PHE 45 HE2 PHE 45 9.041 -5.997 1.083 334 HE2 PHE 45 HE1 PHE 45 8.089 -9.305 -1.432 335 HZ PHE 45 HZ PHE 45 9.407 -8.338 0.410 336 H LEU 46 H LEU 46 1.862 -5.071 -1.349 337 HA LEU 46 HA LEU 46 1.930 -2.306 -2.331 338 HB2 LEU 46 1HB LEU 46 1.327 -4.108 -4.087 339 HB3 LEU 46 2HB LEU 46 -0.207 -4.205 -3.224 340 HG LEU 46 HG LEU 46 -0.169 -1.581 -3.637 341 HD11 LEU 46 1HD1 LEU 46 1.845 -2.689 -5.485 342 HD12 LEU 46 2HD1 LEU 46 1.683 -1.065 -4.817 343 HD13 LEU 46 3HD1 LEU 46 0.680 -1.562 -6.180 344 HD21 LEU 46 1HD2 LEU 46 -1.458 -3.801 -4.748 345 HD22 LEU 46 2HD2 LEU 46 -0.967 -2.801 -6.116 346 HD23 LEU 46 3HD2 LEU 46 -1.963 -2.113 -4.832 347 H LEU 47 H LEU 47 0.863 -0.984 -1.023 348 HA LEU 47 HA LEU 47 -1.174 -2.131 0.768 349 HB2 LEU 47 1HB LEU 47 0.594 0.282 1.136 350 HB3 LEU 47 2HB LEU 47 -0.684 -0.203 2.248 351 HG LEU 47 HG LEU 47 1.515 -2.125 1.623 352 HD11 LEU 47 1HD1 LEU 47 1.814 0.452 2.983 353 HD12 LEU 47 2HD1 LEU 47 3.033 -0.622 2.297 354 HD13 LEU 47 3HD1 LEU 47 2.387 -0.937 3.907 355 HD21 LEU 47 1HD2 LEU 47 0.162 -1.602 4.247 356 HD22 LEU 47 2HD2 LEU 47 0.959 -3.070 3.680 357 HD23 LEU 47 3HD2 LEU 47 -0.601 -2.595 3.006 358 H PHE 48 H PHE 48 -2.870 -0.534 1.465 359 HA PHE 48 HA PHE 48 -3.703 1.082 -0.852 360 HB2 PHE 48 1HB PHE 48 -5.146 -0.884 -0.300 361 HB3 PHE 48 2HB PHE 48 -5.477 -0.148 1.265 362 HD1 PHE 48 HD2 PHE 48 -5.498 0.912 -2.317 363 HD2 PHE 48 HD1 PHE 48 -7.499 0.900 1.439 364 HE1 PHE 48 HE2 PHE 48 -7.362 2.173 -3.311 365 HE2 PHE 48 HE1 PHE 48 -9.367 2.161 0.451 366 HZ PHE 48 HZ PHE 48 -9.299 2.800 -1.926 367 H CYS 49 H CYS 49 -2.932 3.076 -0.339 368 HA CYS 49 HA CYS 49 -3.214 4.163 2.317 369 HB2 CYS 49 1HB CYS 49 -2.207 5.332 -0.279 370 HB3 CYS 49 2HB CYS 49 -2.280 6.245 1.223 371 HG CYS 49 HG CYS 49 -0.144 3.802 0.302 372 H VAL 50 H VAL 50 -4.665 5.654 3.022 373 HA VAL 50 HA VAL 50 -6.627 6.703 1.106 374 HB VAL 50 HB VAL 50 -7.348 5.423 3.747 375 HG11 VAL 50 1HG1 VAL 50 -9.443 6.246 3.560 376 HG12 VAL 50 2HG1 VAL 50 -8.633 7.506 2.628 377 HG13 VAL 50 3HG1 VAL 50 -9.432 6.170 1.798 378 HG21 VAL 50 1HG2 VAL 50 -8.755 4.035 1.970 379 HG22 VAL 50 2HG2 VAL 50 -7.395 4.474 0.936 380 HG23 VAL 50 3HG2 VAL 50 -7.115 3.580 2.430 381 H HIS 51 H HIS 51 -6.996 8.811 1.357 382 HA HIS 51 HA HIS 51 -6.689 10.053 3.977 383 HB2 HIS 51 1HB HIS 51 -4.465 10.169 2.795 384 HB3 HIS 51 2HB HIS 51 -5.244 11.158 1.563 385 HD1 HIS 51 HD1 HIS 51 -5.066 13.590 1.944 386 HD2 HIS 51 HD2 HIS 51 -4.777 11.449 5.493 387 HE1 HIS 51 HE1 HIS 51 -4.616 15.304 3.728 388 HE2 HIS 51 HE2 HIS 51 -4.360 13.977 5.853 389 H GLY 52 H GLY 52 -7.601 12.211 4.084 390 HA2 GLY 52 1HA GLY 52 -9.374 12.891 1.836 391 HA3 GLY 52 2HA GLY 52 -10.053 12.706 3.446 392 H ASP 53 H ASP 53 -8.025 14.669 1.389 393 HA ASP 53 HA ASP 53 -7.744 16.701 3.468 394 HB2 ASP 53 1HB ASP 53 -5.782 16.113 2.071 395 HB3 ASP 53 2HB ASP 53 -6.655 16.669 0.645 396 H GLY 54 H GLY 54 -10.331 16.516 2.977 397 HA2 GLY 54 1HA GLY 54 -11.170 19.046 2.274 398 HA3 GLY 54 2HA GLY 54 -11.261 18.103 0.794 399 H HIS 55 H HIS 55 -13.138 17.151 0.403 400 HA HIS 55 HA HIS 55 -14.980 16.732 2.658 401 HB2 HIS 55 1HB HIS 55 -15.400 17.385 -0.235 402 HB3 HIS 55 2HB HIS 55 -16.669 16.551 0.657 403 HD1 HIS 55 HD1 HIS 55 -18.258 18.569 0.529 404 HD2 HIS 55 HD2 HIS 55 -14.655 19.384 2.430 405 HE1 HIS 55 HE1 HIS 55 -18.578 20.798 1.648 406 HE2 HIS 55 HE2 HIS 55 -16.357 21.310 2.720 407 H ALA 56 H ALA 56 -16.377 14.838 2.578 408 HA ALA 56 HA ALA 56 -14.949 12.454 2.228 409 HB1 ALA 56 1HB ALA 56 -17.004 12.929 3.694 410 HB2 ALA 56 2HB ALA 56 -17.945 12.551 2.250 411 HB3 ALA 56 3HB ALA 56 -16.867 11.339 2.942 412 H GLU 57 H GLU 57 -16.862 14.310 0.022 413 HA GLU 57 HA GLU 57 -17.276 12.167 -1.855 414 HB2 GLU 57 1HB GLU 57 -17.657 15.155 -2.094 415 HB3 GLU 57 2HB GLU 57 -18.082 14.004 -3.353 416 HG2 GLU 57 1HG GLU 57 -19.205 13.747 -0.592 417 HG3 GLU 57 2HG GLU 57 -19.920 14.847 -1.770 418 H ASN 58 H ASN 58 -14.758 14.356 -1.134 419 HA ASN 58 HA ASN 58 -13.470 13.799 -3.725 420 HB2 ASN 58 1HB ASN 58 -12.851 16.058 -1.810 421 HB3 ASN 58 2HB ASN 58 -12.162 15.821 -3.413 422 HD21 ASN 58 1HD2 ASN 58 -15.259 16.253 -1.759 423 HD22 ASN 58 2HD2 ASN 58 -16.001 17.174 -3.019 424 H LEU 59 H LEU 59 -13.425 11.867 -1.720 425 HA LEU 59 HA LEU 59 -11.032 12.044 -0.163 426 HB2 LEU 59 1HB LEU 59 -13.164 10.627 0.234 427 HB3 LEU 59 2HB LEU 59 -12.399 9.472 -0.857 428 HG LEU 59 HG LEU 59 -10.420 9.504 0.736 429 HD11 LEU 59 1HD1 LEU 59 -12.438 10.684 2.633 430 HD12 LEU 59 2HD1 LEU 59 -11.138 11.607 1.880 431 HD13 LEU 59 3HD1 LEU 59 -10.756 10.272 2.966 432 HD21 LEU 59 1HD2 LEU 59 -12.986 8.185 0.936 433 HD22 LEU 59 2HD2 LEU 59 -12.193 8.305 2.507 434 HD23 LEU 59 3HD2 LEU 59 -11.362 7.532 1.156 435 H VAL 60 H VAL 60 -9.130 10.777 -0.409 436 HA VAL 60 HA VAL 60 -8.554 10.093 -3.216 437 HB VAL 60 HB VAL 60 -6.633 10.925 -1.037 438 HG11 VAL 60 1HG1 VAL 60 -5.644 10.966 -3.764 439 HG12 VAL 60 2HG1 VAL 60 -4.930 10.259 -2.314 440 HG13 VAL 60 3HG1 VAL 60 -6.116 9.347 -3.249 441 HG21 VAL 60 1HG2 VAL 60 -8.180 12.410 -2.994 442 HG22 VAL 60 2HG2 VAL 60 -7.264 12.990 -1.603 443 HG23 VAL 60 3HG2 VAL 60 -6.448 12.709 -3.140 444 H GLN 61 H GLN 61 -7.785 8.112 -3.730 445 HA GLN 61 HA GLN 61 -6.996 6.293 -1.576 446 HB2 GLN 61 1HB GLN 61 -9.282 5.938 -3.466 447 HB3 GLN 61 2HB GLN 61 -8.364 4.521 -2.974 448 HG2 GLN 61 1HG GLN 61 -8.942 4.799 -0.714 449 HG3 GLN 61 2HG GLN 61 -9.528 6.440 -0.985 450 HE21 GLN 61 1HE2 GLN 61 -11.486 5.807 0.032 451 HE22 GLN 61 2HE2 GLN 61 -12.679 4.908 -0.835 452 H TRP 62 H TRP 62 -4.974 5.784 -2.102 453 HA TRP 62 HA TRP 62 -4.461 4.747 -4.793 454 HB2 TRP 62 1HB TRP 62 -2.430 6.009 -5.047 455 HB3 TRP 62 2HB TRP 62 -3.731 7.141 -4.686 456 HD1 TRP 62 HD1 TRP 62 -0.327 6.189 -3.582 457 HE1 TRP 62 HE1 TRP 62 0.286 7.412 -1.402 458 HE3 TRP 62 HE3 TRP 62 -4.955 7.950 -2.312 459 HZ2 TRP 62 HZ2 TRP 62 -1.021 8.923 0.593 460 HZ3 TRP 62 HZ3 TRP 62 -5.188 9.276 -0.252 461 HH2 TRP 62 HH2 TRP 62 -3.261 9.750 1.169 462 H GLU 63 H GLU 63 -2.400 3.519 -4.908 463 HA GLU 63 HA GLU 63 -1.901 2.155 -2.348 464 HB2 GLU 63 1HB GLU 63 -1.671 1.164 -5.192 465 HB3 GLU 63 2HB GLU 63 -1.100 0.259 -3.797 466 HG2 GLU 63 1HG GLU 63 -3.148 -0.679 -4.026 467 HG3 GLU 63 2HG GLU 63 -3.573 0.665 -2.967 468 H MET 64 H MET 64 0.327 1.157 -2.195 469 HA MET 64 HA MET 64 2.397 2.710 -3.549 470 HB2 MET 64 1HB MET 64 1.941 2.641 -0.577 471 HB3 MET 64 2HB MET 64 3.536 2.953 -1.248 472 HG2 MET 64 1HG MET 64 2.739 4.915 -2.377 473 HG3 MET 64 2HG MET 64 1.082 4.566 -1.891 474 HE1 MET 64 1HE MET 64 4.440 6.280 0.724 475 HE2 MET 64 2HE MET 64 4.657 4.827 -0.251 476 HE3 MET 64 3HE MET 64 4.339 6.375 -1.034 477 H GLU 65 H GLU 65 4.063 1.469 -4.134 478 HA GLU 65 HA GLU 65 4.520 -1.050 -2.685 479 HB2 GLU 65 1HB GLU 65 3.529 -1.947 -4.553 480 HB3 GLU 65 2HB GLU 65 4.040 -0.625 -5.593 481 HG2 GLU 65 1HG GLU 65 6.337 -1.502 -5.542 482 HG3 GLU 65 2HG GLU 65 5.777 -2.856 -4.563 483 H VAL 66 H VAL 66 6.671 -1.856 -2.761 484 HA VAL 66 HA VAL 66 8.668 0.196 -3.465 485 HB VAL 66 HB VAL 66 8.874 -1.896 -1.294 486 HG11 VAL 66 1HG1 VAL 66 11.067 -1.530 -1.795 487 HG12 VAL 66 2HG1 VAL 66 10.767 0.087 -2.435 488 HG13 VAL 66 3HG1 VAL 66 10.803 -0.180 -0.692 489 HG21 VAL 66 1HG2 VAL 66 8.977 0.459 0.002 490 HG22 VAL 66 2HG2 VAL 66 7.886 0.885 -1.316 491 HG23 VAL 66 3HG2 VAL 66 7.488 -0.454 -0.240 492 H CYS 67 H CYS 67 10.087 -0.335 -4.985 493 HA CYS 67 HA CYS 67 10.957 -3.093 -5.295 494 HB2 CYS 67 1HB CYS 67 8.887 -2.585 -6.780 495 HB3 CYS 67 2HB CYS 67 10.011 -1.643 -7.750 496 HG CYS 67 HG CYS 67 11.737 -3.923 -8.109 497 H LYS 68 H LYS 68 12.836 -3.303 -6.689 498 HA LYS 68 HA LYS 68 14.627 -1.075 -6.356 499 HB2 LYS 68 1HB LYS 68 16.329 -2.582 -7.271 500 HB3 LYS 68 2HB LYS 68 15.411 -3.362 -5.989 501 HG2 LYS 68 1HG LYS 68 14.047 -4.495 -7.716 502 HG3 LYS 68 2HG LYS 68 15.088 -3.785 -8.953 503 HD2 LYS 68 1HD LYS 68 16.118 -5.508 -6.706 504 HD3 LYS 68 2HD LYS 68 15.652 -6.148 -8.284 505 HE2 LYS 68 1HE LYS 68 17.704 -3.976 -7.888 506 HE3 LYS 68 2HE LYS 68 18.101 -5.689 -8.007 507 HZ1 LYS 68 1HZ LYS 68 16.489 -4.429 -10.118 508 HZ2 LYS 68 2HZ LYS 68 17.526 -5.762 -10.214 509 HZ3 LYS 68 3HZ LYS 68 18.165 -4.199 -10.108 510 H LEU 69 H LEU 69 15.482 0.241 -7.904 511 HA LEU 69 HA LEU 69 14.032 0.417 -10.397 512 HB2 LEU 69 1HB LEU 69 16.254 2.087 -9.233 513 HB3 LEU 69 2HB LEU 69 15.443 2.436 -10.759 514 HG LEU 69 HG LEU 69 13.837 2.224 -8.247 515 HD11 LEU 69 1HD1 LEU 69 14.180 4.571 -7.786 516 HD12 LEU 69 2HD1 LEU 69 15.309 4.701 -9.134 517 HD13 LEU 69 3HD1 LEU 69 15.724 3.721 -7.729 518 HD21 LEU 69 1HD2 LEU 69 13.479 3.109 -10.993 519 HD22 LEU 69 2HD2 LEU 69 12.941 4.307 -9.815 520 HD23 LEU 69 3HD2 LEU 69 12.278 2.673 -9.777 521 HA PRO 70 HA PRO 70 16.945 -1.916 -12.764 522 HB2 PRO 70 1HB PRO 70 16.115 -1.132 -15.227 523 HB3 PRO 70 2HB PRO 70 15.215 -2.281 -14.231 524 HG2 PRO 70 1HG PRO 70 14.755 0.651 -14.624 525 HG3 PRO 70 2HG PRO 70 13.573 -0.670 -14.574 526 HD2 PRO 70 1HD PRO 70 14.034 0.952 -12.456 527 HD3 PRO 70 2HD PRO 70 13.573 -0.752 -12.271 528 H ARG 71 H ARG 71 16.784 1.481 -12.615 529 HA ARG 71 HA ARG 71 19.282 1.728 -14.158 530 HB2 ARG 71 1HB ARG 71 17.065 3.715 -13.671 531 HB3 ARG 71 2HB ARG 71 18.641 4.184 -14.295 532 HG2 ARG 71 1HG ARG 71 18.151 2.333 -16.078 533 HG3 ARG 71 2HG ARG 71 16.476 2.612 -15.598 534 HD2 ARG 71 1HD ARG 71 17.010 4.011 -17.486 535 HD3 ARG 71 2HD ARG 71 16.784 5.019 -16.058 536 HE ARG 71 HE ARG 71 18.987 5.644 -16.186 537 HH11 ARG 71 1HH1 ARG 71 18.447 2.884 -18.238 538 HH12 ARG 71 2HH1 ARG 71 20.011 2.964 -18.978 539 HH21 ARG 71 1HH2 ARG 71 21.049 5.760 -17.153 540 HH22 ARG 71 2HH2 ARG 71 21.491 4.600 -18.360 541 H LEU 72 H LEU 72 17.608 2.566 -11.186 542 HA LEU 72 HA LEU 72 20.063 3.766 -10.119 543 HB2 LEU 72 1HB LEU 72 17.187 3.852 -9.271 544 HB3 LEU 72 2HB LEU 72 18.482 4.336 -8.178 545 HG LEU 72 HG LEU 72 17.541 6.299 -9.175 546 HD11 LEU 72 1HD1 LEU 72 19.975 6.123 -10.826 547 HD12 LEU 72 2HD1 LEU 72 20.175 5.767 -9.111 548 HD13 LEU 72 3HD1 LEU 72 19.502 7.317 -9.616 549 HD21 LEU 72 1HD2 LEU 72 18.326 5.706 -11.935 550 HD22 LEU 72 2HD2 LEU 72 16.879 6.497 -11.308 551 HD23 LEU 72 3HD2 LEU 72 16.982 4.735 -11.332 552 H SER 73 H SER 73 20.885 3.117 -8.073 553 HA SER 73 HA SER 73 20.520 0.269 -7.579 554 HB2 SER 73 1HB SER 73 22.522 2.194 -6.373 555 HB3 SER 73 2HB SER 73 22.544 0.437 -6.223 556 HG SER 73 HG SER 73 23.897 1.524 -7.930 557 H LEU 74 H LEU 74 18.365 1.950 -6.826 558 HA LEU 74 HA LEU 74 18.312 1.381 -3.955 559 HB2 LEU 74 1HB LEU 74 17.326 3.977 -5.122 560 HB3 LEU 74 2HB LEU 74 17.325 3.509 -3.423 561 HG LEU 74 HG LEU 74 19.874 3.442 -3.623 562 HD11 LEU 74 1HD1 LEU 74 20.755 3.777 -5.629 563 HD12 LEU 74 2HD1 LEU 74 20.136 5.428 -5.586 564 HD13 LEU 74 3HD1 LEU 74 19.170 4.143 -6.312 565 HD21 LEU 74 1HD2 LEU 74 19.964 5.546 -2.775 566 HD22 LEU 74 2HD2 LEU 74 18.215 5.323 -2.731 567 HD23 LEU 74 3HD2 LEU 74 18.956 6.226 -4.053 568 H ASN 75 H ASN 75 15.935 1.893 -3.154 569 HA ASN 75 HA ASN 75 14.164 0.486 -5.023 570 HB2 ASN 75 1HB ASN 75 14.115 0.798 -2.021 571 HB3 ASN 75 2HB ASN 75 12.758 0.135 -2.927 572 HD21 ASN 75 1HD2 ASN 75 13.560 -1.548 -1.204 573 HD22 ASN 75 2HD2 ASN 75 14.595 -2.774 -1.845 574 H GLY 76 H GLY 76 12.492 1.494 -5.938 575 HA2 GLY 76 1HA GLY 76 11.872 4.221 -5.028 576 HA3 GLY 76 2HA GLY 76 11.528 3.572 -6.625 577 H VAL 77 H VAL 77 9.562 4.914 -5.341 578 HA VAL 77 HA VAL 77 7.772 2.800 -4.334 579 HB VAL 77 HB VAL 77 7.551 5.780 -3.889 580 HG11 VAL 77 1HG1 VAL 77 5.954 4.772 -2.040 581 HG12 VAL 77 2HG1 VAL 77 5.381 5.095 -3.677 582 HG13 VAL 77 3HG1 VAL 77 5.829 3.455 -3.206 583 HG21 VAL 77 1HG2 VAL 77 8.464 5.517 -1.781 584 HG22 VAL 77 2HG2 VAL 77 8.146 3.783 -1.744 585 HG23 VAL 77 3HG2 VAL 77 9.450 4.419 -2.746 586 H ARG 78 H ARG 78 5.701 2.614 -5.165 587 HA ARG 78 HA ARG 78 5.276 3.986 -7.730 588 HB2 ARG 78 1HB ARG 78 4.148 1.382 -6.687 589 HB3 ARG 78 2HB ARG 78 3.719 2.109 -8.230 590 HG2 ARG 78 1HG ARG 78 6.592 1.612 -7.665 591 HG3 ARG 78 2HG ARG 78 5.556 0.234 -8.045 592 HD2 ARG 78 1HD ARG 78 5.037 1.063 -10.169 593 HD3 ARG 78 2HD ARG 78 5.572 2.693 -9.761 594 HE ARG 78 HE ARG 78 7.744 2.078 -10.228 595 HH11 ARG 78 1HH1 ARG 78 5.688 -0.732 -10.188 596 HH12 ARG 78 2HH1 ARG 78 6.886 -1.779 -10.874 597 HH21 ARG 78 1HH2 ARG 78 9.329 0.709 -11.131 598 HH22 ARG 78 2HH2 ARG 78 8.957 -0.959 -11.409 599 H PHE 79 H PHE 79 3.519 5.227 -8.066 600 HA PHE 79 HA PHE 79 1.527 5.368 -5.899 601 HB2 PHE 79 1HB PHE 79 2.755 7.566 -7.555 602 HB3 PHE 79 2HB PHE 79 1.247 7.792 -6.674 603 HD1 PHE 79 HD2 PHE 79 4.670 6.443 -6.033 604 HD2 PHE 79 HD1 PHE 79 1.408 8.783 -4.620 605 HE1 PHE 79 HE2 PHE 79 5.946 6.988 -4.001 606 HE2 PHE 79 HE1 PHE 79 2.679 9.333 -2.586 607 HZ PHE 79 HZ PHE 79 4.950 8.434 -2.274 608 H LYS 80 H LYS 80 -0.073 4.127 -6.754 609 HA LYS 80 HA LYS 80 -1.017 4.765 -9.462 610 HB2 LYS 80 1HB LYS 80 -0.429 2.367 -8.737 611 HB3 LYS 80 2HB LYS 80 -1.918 2.421 -7.803 612 HG2 LYS 80 1HG LYS 80 -2.987 3.141 -10.064 613 HG3 LYS 80 2HG LYS 80 -1.536 2.416 -10.760 614 HD2 LYS 80 1HD LYS 80 -2.030 0.303 -9.723 615 HD3 LYS 80 2HD LYS 80 -3.382 1.008 -8.834 616 HE2 LYS 80 1HE LYS 80 -4.367 1.577 -11.114 617 HE3 LYS 80 2HE LYS 80 -3.148 0.495 -11.787 618 HZ1 LYS 80 1HZ LYS 80 -4.853 -0.957 -11.496 619 HZ2 LYS 80 2HZ LYS 80 -5.502 -0.134 -10.169 620 HZ3 LYS 80 3HZ LYS 80 -4.133 -1.107 -9.973 621 H ARG 81 H ARG 81 -2.902 5.773 -9.768 622 HA ARG 81 HA ARG 81 -4.448 6.568 -7.447 623 HB2 ARG 81 1HB ARG 81 -4.034 8.312 -9.007 624 HB3 ARG 81 2HB ARG 81 -4.549 7.318 -10.364 625 HG2 ARG 81 1HG ARG 81 -6.811 7.514 -9.797 626 HG3 ARG 81 2HG ARG 81 -6.440 8.091 -8.170 627 HD2 ARG 81 1HD ARG 81 -7.179 9.957 -9.472 628 HD3 ARG 81 2HD ARG 81 -5.447 10.132 -9.195 629 HE ARG 81 HE ARG 81 -5.080 9.862 -11.452 630 HH11 ARG 81 1HH1 ARG 81 -8.385 9.082 -10.686 631 HH12 ARG 81 2HH1 ARG 81 -8.889 9.012 -12.342 632 HH21 ARG 81 1HH2 ARG 81 -5.732 9.774 -13.636 633 HH22 ARG 81 2HH2 ARG 81 -7.379 9.406 -14.019 634 H ILE 82 H ILE 82 -6.530 5.986 -6.996 635 HA ILE 82 HA ILE 82 -7.657 3.821 -8.647 636 HB ILE 82 HB ILE 82 -8.087 4.314 -5.698 637 HG12 ILE 82 1HG1 ILE 82 -5.823 3.510 -6.164 638 HG13 ILE 82 2HG1 ILE 82 -6.775 2.254 -5.380 639 HG21 ILE 82 1HG2 ILE 82 -10.038 3.293 -6.457 640 HG22 ILE 82 2HG2 ILE 82 -9.173 2.291 -7.622 641 HG23 ILE 82 3HG2 ILE 82 -9.056 1.939 -5.898 642 HD11 ILE 82 1HD1 ILE 82 -5.981 2.440 -8.268 643 HD12 ILE 82 2HD1 ILE 82 -5.540 1.205 -7.088 644 HD13 ILE 82 3HD1 ILE 82 -7.200 1.312 -7.673 645 H SER 83 H SER 83 -8.770 6.259 -6.287 646 HA SER 83 HA SER 83 -10.984 6.887 -8.124 647 HB2 SER 83 1HB SER 83 -11.084 6.357 -5.162 648 HB3 SER 83 2HB SER 83 -12.315 7.343 -5.952 649 HG SER 83 HG SER 83 -11.652 4.639 -6.487 650 H GLY 84 H GLY 84 -12.097 9.013 -7.332 651 HA2 GLY 84 1HA GLY 84 -11.922 11.233 -6.640 652 HA3 GLY 84 2HA GLY 84 -10.276 10.912 -6.112 653 H THR 85 H THR 85 -10.657 13.238 -7.337 654 HA THR 85 HA THR 85 -10.135 12.966 -10.184 655 HB THR 85 HB THR 85 -11.568 14.818 -9.043 656 HG1 THR 85 HG1 THR 85 -11.026 14.787 -11.276 657 HG21 THR 85 1HG2 THR 85 -8.802 16.007 -8.789 658 HG22 THR 85 2HG2 THR 85 -9.841 15.530 -7.446 659 HG23 THR 85 3HG2 THR 85 -10.324 16.851 -8.510 660 H SER 86 H SER 86 -8.347 14.460 -11.066 661 HA SER 86 HA SER 86 -5.866 13.471 -10.199 662 HB2 SER 86 1HB SER 86 -4.987 15.426 -11.682 663 HB3 SER 86 2HB SER 86 -5.903 14.124 -12.441 664 HG SER 86 HG SER 86 -6.543 16.338 -12.994 665 H ILE 87 H ILE 87 -7.141 16.797 -9.983 666 HA ILE 87 HA ILE 87 -5.213 18.103 -8.651 667 HB ILE 87 HB ILE 87 -8.165 18.193 -8.033 668 HG12 ILE 87 1HG1 ILE 87 -7.653 20.489 -9.300 669 HG13 ILE 87 2HG1 ILE 87 -6.351 19.523 -9.984 670 HG21 ILE 87 1HG2 ILE 87 -6.786 19.038 -6.150 671 HG22 ILE 87 2HG2 ILE 87 -6.067 20.211 -7.252 672 HG23 ILE 87 3HG2 ILE 87 -7.793 20.279 -6.896 673 HD11 ILE 87 1HD1 ILE 87 -8.875 19.677 -10.971 674 HD12 ILE 87 2HD1 ILE 87 -7.744 18.359 -11.281 675 HD13 ILE 87 3HD1 ILE 87 -8.956 18.202 -10.009 676 H ALA 88 H ALA 88 -7.592 15.975 -7.081 677 HA ALA 88 HA ALA 88 -6.606 16.276 -4.461 678 HB1 ALA 88 1HB ALA 88 -7.743 13.913 -4.236 679 HB2 ALA 88 2HB ALA 88 -8.708 15.372 -4.465 680 HB3 ALA 88 3HB ALA 88 -8.372 14.314 -5.835 681 H PHE 89 H PHE 89 -6.252 13.440 -6.602 682 HA PHE 89 HA PHE 89 -4.433 12.007 -5.158 683 HB2 PHE 89 1HB PHE 89 -5.389 11.105 -7.180 684 HB3 PHE 89 2HB PHE 89 -4.595 12.334 -8.158 685 HD1 PHE 89 HD1 PHE 89 -3.517 9.886 -5.551 686 HD2 PHE 89 HD2 PHE 89 -2.884 11.516 -9.432 687 HE1 PHE 89 HE1 PHE 89 -1.592 8.385 -5.864 688 HE2 PHE 89 HE2 PHE 89 -0.958 10.018 -9.751 689 HZ PHE 89 HZ PHE 89 -0.311 8.449 -7.966 690 H LYS 90 H LYS 90 -3.830 14.821 -7.163 691 HA LYS 90 HA LYS 90 -0.972 14.621 -7.018 692 HB2 LYS 90 1HB LYS 90 -1.503 15.834 -8.874 693 HB3 LYS 90 2HB LYS 90 -2.945 16.525 -8.143 694 HG2 LYS 90 1HG LYS 90 -1.582 18.083 -6.873 695 HG3 LYS 90 2HG LYS 90 -0.116 17.368 -7.547 696 HD2 LYS 90 1HD LYS 90 -0.405 18.355 -9.578 697 HD3 LYS 90 2HD LYS 90 -2.166 18.313 -9.468 698 HE2 LYS 90 1HE LYS 90 -0.680 20.079 -7.593 699 HE3 LYS 90 2HE LYS 90 -0.804 20.576 -9.280 700 HZ1 LYS 90 1HZ LYS 90 -3.234 20.318 -9.088 701 HZ2 LYS 90 2HZ LYS 90 -2.618 21.503 -8.050 702 HZ3 LYS 90 3HZ LYS 90 -3.056 19.988 -7.438 703 H ASN 91 H ASN 91 -3.428 16.654 -5.446 704 HA ASN 91 HA ASN 91 -1.796 18.280 -3.931 705 HB2 ASN 91 1HB ASN 91 -4.568 17.246 -3.629 706 HB3 ASN 91 2HB ASN 91 -3.827 17.981 -2.210 707 HD21 ASN 91 1HD2 ASN 91 -6.077 18.919 -3.745 708 HD22 ASN 91 2HD2 ASN 91 -5.653 20.484 -4.341 709 H ILE 92 H ILE 92 -3.454 15.440 -2.557 710 HA ILE 92 HA ILE 92 -1.920 15.262 -0.250 711 HB ILE 92 HB ILE 92 -3.994 14.038 -0.458 712 HG12 ILE 92 1HG1 ILE 92 -3.246 11.813 0.378 713 HG13 ILE 92 2HG1 ILE 92 -1.606 12.210 -0.122 714 HG21 ILE 92 1HG2 ILE 92 -4.434 12.367 -1.992 715 HG22 ILE 92 2HG2 ILE 92 -3.464 13.493 -2.941 716 HG23 ILE 92 3HG2 ILE 92 -2.726 12.035 -2.277 717 HD11 ILE 92 1HD1 ILE 92 -2.664 14.295 1.536 718 HD12 ILE 92 2HD1 ILE 92 -2.812 12.731 2.337 719 HD13 ILE 92 3HD1 ILE 92 -1.237 13.286 1.771 720 H ALA 93 H ALA 93 -1.501 13.527 -3.328 721 HA ALA 93 HA ALA 93 0.510 11.828 -2.905 722 HB1 ALA 93 1HB ALA 93 -0.006 13.702 -5.156 723 HB2 ALA 93 2HB ALA 93 1.501 12.785 -5.153 724 HB3 ALA 93 3HB ALA 93 -0.046 11.939 -5.120 725 H SER 94 H SER 94 0.996 15.332 -3.281 726 HA SER 94 HA SER 94 3.773 15.360 -3.012 727 HB2 SER 94 1HB SER 94 2.141 17.272 -3.653 728 HB3 SER 94 2HB SER 94 2.045 17.567 -1.917 729 HG SER 94 HG SER 94 4.433 17.627 -2.031 730 H LYS 95 H LYS 95 1.269 15.797 -0.521 731 HA LYS 95 HA LYS 95 2.791 16.247 1.697 732 HB2 LYS 95 1HB LYS 95 0.367 14.449 1.512 733 HB3 LYS 95 2HB LYS 95 1.018 15.117 3.003 734 HG2 LYS 95 1HG LYS 95 0.016 16.786 0.708 735 HG3 LYS 95 2HG LYS 95 -0.960 16.327 2.106 736 HD2 LYS 95 1HD LYS 95 0.608 17.469 3.587 737 HD3 LYS 95 2HD LYS 95 1.614 17.902 2.203 738 HE2 LYS 95 1HE LYS 95 0.280 19.803 2.772 739 HE3 LYS 95 2HE LYS 95 -0.338 19.136 1.262 740 HZ1 LYS 95 1HZ LYS 95 -2.291 18.644 2.195 741 HZ2 LYS 95 2HZ LYS 95 -1.841 19.724 3.417 742 HZ3 LYS 95 3HZ LYS 95 -1.595 18.063 3.623 743 H ILE 96 H ILE 96 2.079 13.096 0.234 744 HA ILE 96 HA ILE 96 3.499 11.578 2.169 745 HB ILE 96 HB ILE 96 2.920 10.765 -0.678 746 HG12 ILE 96 1HG1 ILE 96 0.897 11.613 0.554 747 HG13 ILE 96 2HG1 ILE 96 0.794 9.928 0.056 748 HG21 ILE 96 1HG2 ILE 96 4.030 8.938 -0.049 749 HG22 ILE 96 2HG2 ILE 96 4.051 9.441 1.641 750 HG23 ILE 96 3HG2 ILE 96 2.653 8.582 0.994 751 HD11 ILE 96 1HD1 ILE 96 0.660 9.195 2.161 752 HD12 ILE 96 2HD1 ILE 96 1.881 10.329 2.741 753 HD13 ILE 96 3HD1 ILE 96 0.212 10.859 2.532 754 H ALA 97 H ALA 97 4.318 12.515 -1.173 755 HA ALA 97 HA ALA 97 6.831 11.437 -1.374 756 HB1 ALA 97 1HB ALA 97 5.527 12.690 -3.141 757 HB2 ALA 97 2HB ALA 97 6.166 14.173 -2.431 758 HB3 ALA 97 3HB ALA 97 7.267 12.975 -3.112 759 H ASN 98 H ASN 98 5.868 14.396 0.274 760 HA ASN 98 HA ASN 98 8.606 15.101 0.904 761 HB2 ASN 98 1HB ASN 98 6.540 16.684 0.488 762 HB3 ASN 98 2HB ASN 98 6.250 16.411 2.204 763 HD21 ASN 98 1HD2 ASN 98 9.062 17.031 0.123 764 HD22 ASN 98 2HD2 ASN 98 9.728 18.281 1.112 765 H GLU 99 H GLU 99 5.757 14.766 3.018 766 HA GLU 99 HA GLU 99 6.880 14.497 5.431 767 HB2 GLU 99 1HB GLU 99 4.603 12.919 4.253 768 HB3 GLU 99 2HB GLU 99 5.071 12.747 5.939 769 HG2 GLU 99 1HG GLU 99 3.968 15.159 4.546 770 HG3 GLU 99 2HG GLU 99 3.309 14.287 5.929 771 H LEU 100 H LEU 100 6.641 11.859 3.069 772 HA LEU 100 HA LEU 100 7.545 9.698 4.375 773 HB2 LEU 100 1HB LEU 100 8.090 10.741 1.650 774 HB3 LEU 100 2HB LEU 100 9.037 9.362 2.204 775 HG LEU 100 HG LEU 100 6.028 9.471 1.997 776 HD11 LEU 100 1HD1 LEU 100 6.219 8.741 -0.088 777 HD12 LEU 100 2HD1 LEU 100 7.350 7.478 0.399 778 HD13 LEU 100 3HD1 LEU 100 7.945 9.090 0.002 779 HD21 LEU 100 1HD2 LEU 100 6.784 6.844 2.210 780 HD22 LEU 100 2HD2 LEU 100 6.122 7.831 3.514 781 HD23 LEU 100 3HD2 LEU 100 7.869 7.651 3.343 782 H LYS 101 H LYS 101 9.061 9.515 5.881 783 HA LYS 101 HA LYS 101 11.436 11.175 5.826 784 HB2 LYS 101 1HB LYS 101 10.018 10.455 7.898 785 HB3 LYS 101 2HB LYS 101 10.965 8.976 7.810 786 HG2 LYS 101 1HG LYS 101 12.209 10.207 9.281 787 HG3 LYS 101 2HG LYS 101 12.991 10.626 7.755 788 HD2 LYS 101 1HD LYS 101 11.718 12.687 7.636 789 HD3 LYS 101 2HD LYS 101 10.837 12.255 9.103 790 HE2 LYS 101 1HE LYS 101 12.939 12.303 10.366 791 HE3 LYS 101 2HE LYS 101 13.806 12.752 8.898 792 HZ1 LYS 101 1HZ LYS 101 12.244 14.727 8.821 793 HZ2 LYS 101 2HZ LYS 101 13.430 14.746 10.027 794 HZ3 LYS 101 3HZ LYS 101 11.833 14.347 10.418 795 H LEU 102 H LEU 102 11.639 9.754 3.622 796 HA LEU 102 HA LEU 102 13.474 7.539 4.259 797 HB2 LEU 102 1HB LEU 102 12.260 7.877 1.557 798 HB3 LEU 102 2HB LEU 102 12.818 6.410 2.360 799 HG LEU 102 HG LEU 102 10.404 7.835 3.398 800 HD11 LEU 102 1HD1 LEU 102 10.155 7.559 0.921 801 HD12 LEU 102 2HD1 LEU 102 8.961 6.695 1.889 802 HD13 LEU 102 3HD1 LEU 102 10.309 5.819 1.164 803 HD21 LEU 102 1HD2 LEU 102 11.730 5.717 4.332 804 HD22 LEU 102 2HD2 LEU 102 10.660 4.891 3.198 805 HD23 LEU 102 3HD2 LEU 102 9.981 5.889 4.484 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 7.010 8.757 -35.725 2 HA2 GLY 1 1HA GLY 1 4.753 10.455 -36.384 3 HA3 GLY 1 2HA GLY 1 4.917 9.022 -37.388 4 H SER 2 H SER 2 4.793 10.013 -33.975 5 HA SER 2 HA SER 2 2.943 7.829 -33.445 6 HB2 SER 2 1HB SER 2 4.203 6.809 -31.726 7 HB3 SER 2 2HB SER 2 5.355 7.042 -33.041 8 HG SER 2 HG SER 2 6.199 8.800 -31.969 9 H SER 3 H SER 3 1.614 8.173 -31.671 10 HA SER 3 HA SER 3 2.033 10.255 -29.780 11 HB2 SER 3 1HB SER 3 1.400 11.512 -31.915 12 HB3 SER 3 2HB SER 3 -0.204 10.804 -31.730 13 HG SER 3 HG SER 3 1.119 12.676 -30.105 14 H GLY 4 H GLY 4 1.089 9.527 -27.998 15 HA2 GLY 4 1HA GLY 4 -1.012 9.028 -26.861 16 HA3 GLY 4 2HA GLY 4 -1.468 8.073 -28.264 17 H SER 5 H SER 5 -0.611 7.782 -25.169 18 HA SER 5 HA SER 5 0.481 5.096 -25.601 19 HB2 SER 5 1HB SER 5 2.214 5.352 -24.011 20 HB3 SER 5 2HB SER 5 2.298 6.805 -25.006 21 HG SER 5 HG SER 5 2.331 7.004 -22.586 22 H SER 6 H SER 6 -0.661 3.621 -24.545 23 HA SER 6 HA SER 6 -2.632 4.464 -22.591 24 HB2 SER 6 1HB SER 6 -2.054 1.765 -23.833 25 HB3 SER 6 2HB SER 6 -3.371 2.079 -22.702 26 HG SER 6 HG SER 6 -4.012 3.757 -24.283 27 H GLY 7 H GLY 7 -2.930 3.136 -20.589 28 HA2 GLY 7 1HA GLY 7 -1.964 1.747 -18.882 29 HA3 GLY 7 2HA GLY 7 -0.372 2.173 -19.494 30 H ARG 8 H ARG 8 -2.538 2.703 -17.053 31 HA ARG 8 HA ARG 8 -1.962 5.482 -16.562 32 HB2 ARG 8 1HB ARG 8 -4.069 4.100 -15.883 33 HB3 ARG 8 2HB ARG 8 -3.091 3.620 -14.502 34 HG2 ARG 8 1HG ARG 8 -2.924 5.847 -13.726 35 HG3 ARG 8 2HG ARG 8 -3.575 6.492 -15.234 36 HD2 ARG 8 1HD ARG 8 -5.240 4.574 -13.690 37 HD3 ARG 8 2HD ARG 8 -5.073 6.216 -13.069 38 HE ARG 8 HE ARG 8 -5.720 6.471 -15.738 39 HH11 ARG 8 1HH1 ARG 8 -7.159 5.070 -12.894 40 HH12 ARG 8 2HH1 ARG 8 -8.786 5.327 -13.432 41 HH21 ARG 8 1HH2 ARG 8 -7.857 6.813 -16.457 42 HH22 ARG 8 2HH2 ARG 8 -9.182 6.317 -15.459 43 H PHE 9 H PHE 9 -1.231 2.463 -14.806 44 HA PHE 9 HA PHE 9 0.516 3.578 -12.939 45 HB2 PHE 9 1HB PHE 9 1.343 1.290 -12.595 46 HB3 PHE 9 2HB PHE 9 -0.413 1.323 -12.708 47 HD1 PHE 9 HD2 PHE 9 2.646 0.682 -14.714 48 HD2 PHE 9 HD1 PHE 9 -1.516 -0.057 -14.212 49 HE1 PHE 9 HE2 PHE 9 2.735 -1.012 -16.497 50 HE2 PHE 9 HE1 PHE 9 -1.433 -1.752 -15.993 51 HZ PHE 9 HZ PHE 9 0.694 -2.231 -17.139 52 H THR 10 H THR 10 2.799 3.593 -12.804 53 HA THR 10 HA THR 10 4.415 2.984 -15.101 54 HB THR 10 HB THR 10 3.503 5.161 -15.793 55 HG1 THR 10 HG1 THR 10 6.253 5.061 -15.074 56 HG21 THR 10 1HG2 THR 10 4.997 6.691 -13.781 57 HG22 THR 10 2HG2 THR 10 3.590 5.834 -13.152 58 HG23 THR 10 3HG2 THR 10 3.403 6.984 -14.475 59 H TRP 11 H TRP 11 6.607 2.914 -14.630 60 HA TRP 11 HA TRP 11 7.247 3.155 -11.776 61 HB2 TRP 11 1HB TRP 11 8.576 1.591 -13.996 62 HB3 TRP 11 2HB TRP 11 9.214 1.706 -12.358 63 HD1 TRP 11 HD1 TRP 11 6.874 -0.291 -14.444 64 HE1 TRP 11 HE1 TRP 11 5.598 -1.981 -12.981 65 HE3 TRP 11 HE3 TRP 11 8.101 1.540 -9.831 66 HZ2 TRP 11 HZ2 TRP 11 5.169 -2.473 -10.234 67 HZ3 TRP 11 HZ3 TRP 11 7.216 0.402 -7.837 68 HH2 TRP 11 HH2 TRP 11 5.780 -1.562 -8.036 69 H SER 12 H SER 12 9.864 3.428 -11.644 70 HA SER 12 HA SER 12 11.667 4.808 -11.915 71 HB2 SER 12 1HB SER 12 10.935 4.536 -14.445 72 HB3 SER 12 2HB SER 12 10.443 6.218 -14.251 73 HG SER 12 HG SER 12 13.008 5.335 -13.471 74 H MET 13 H MET 13 9.958 5.494 -10.030 75 HA MET 13 HA MET 13 8.816 8.087 -10.307 76 HB2 MET 13 1HB MET 13 7.842 6.736 -8.648 77 HB3 MET 13 2HB MET 13 9.401 6.302 -7.960 78 HG2 MET 13 1HG MET 13 9.635 8.731 -7.301 79 HG3 MET 13 2HG MET 13 7.935 8.909 -7.730 80 HE1 MET 13 1HE MET 13 9.547 6.145 -4.433 81 HE2 MET 13 2HE MET 13 10.224 6.367 -6.046 82 HE3 MET 13 3HE MET 13 10.409 7.632 -4.831 83 H LYS 14 H LYS 14 9.513 10.054 -9.402 84 HA LYS 14 HA LYS 14 12.228 10.654 -9.733 85 HB2 LYS 14 1HB LYS 14 9.969 12.128 -8.393 86 HB3 LYS 14 2HB LYS 14 11.593 12.799 -8.475 87 HG2 LYS 14 1HG LYS 14 11.520 12.740 -10.900 88 HG3 LYS 14 2HG LYS 14 9.916 12.004 -10.848 89 HD2 LYS 14 1HD LYS 14 9.218 14.068 -9.504 90 HD3 LYS 14 2HD LYS 14 10.735 14.784 -10.053 91 HE2 LYS 14 1HE LYS 14 9.923 14.067 -12.410 92 HE3 LYS 14 2HE LYS 14 8.336 13.967 -11.648 93 HZ1 LYS 14 1HZ LYS 14 9.354 16.376 -10.838 94 HZ2 LYS 14 2HZ LYS 14 8.175 16.134 -12.026 95 HZ3 LYS 14 3HZ LYS 14 9.802 16.270 -12.466 96 H THR 15 H THR 15 10.356 10.610 -6.693 97 HA THR 15 HA THR 15 12.469 10.949 -4.938 98 HB THR 15 HB THR 15 9.832 9.535 -4.622 99 HG1 THR 15 HG1 THR 15 9.405 11.386 -3.364 100 HG21 THR 15 1HG2 THR 15 11.994 9.891 -2.546 101 HG22 THR 15 2HG2 THR 15 11.285 8.375 -3.104 102 HG23 THR 15 3HG2 THR 15 10.314 9.512 -2.167 103 H THR 16 H THR 16 13.611 9.458 -3.587 104 HA THR 16 HA THR 16 13.686 6.668 -4.420 105 HB THR 16 HB THR 16 16.318 6.960 -4.384 106 HG1 THR 16 HG1 THR 16 15.942 9.332 -4.046 107 HG21 THR 16 1HG2 THR 16 15.979 7.620 -6.966 108 HG22 THR 16 2HG2 THR 16 14.321 7.184 -6.554 109 HG23 THR 16 3HG2 THR 16 15.622 6.016 -6.327 110 H SER 17 H SER 17 14.868 5.302 -2.945 111 HA SER 17 HA SER 17 15.440 6.534 -0.337 112 HB2 SER 17 1HB SER 17 14.019 3.884 -0.587 113 HB3 SER 17 2HB SER 17 14.204 4.893 0.848 114 HG SER 17 HG SER 17 12.104 4.960 -0.289 115 H SER 18 H SER 18 17.501 6.165 0.105 116 HA SER 18 HA SER 18 18.928 3.963 -1.094 117 HB2 SER 18 1HB SER 18 20.029 5.831 0.999 118 HB3 SER 18 2HB SER 18 20.899 4.976 -0.275 119 HG SER 18 HG SER 18 19.701 6.312 -1.778 120 H MET 19 H MET 19 16.929 2.959 0.495 121 HA MET 19 HA MET 19 18.491 1.521 2.494 122 HB2 MET 19 1HB MET 19 15.827 2.780 3.165 123 HB3 MET 19 2HB MET 19 16.829 1.812 4.239 124 HG2 MET 19 1HG MET 19 18.598 3.554 4.042 125 HG3 MET 19 2HG MET 19 17.450 4.539 3.138 126 HE1 MET 19 1HE MET 19 14.986 2.987 5.223 127 HE2 MET 19 2HE MET 19 14.577 4.495 6.042 128 HE3 MET 19 3HE MET 19 14.799 4.474 4.292 129 H ASP 20 H ASP 20 17.752 -0.557 2.916 130 HA ASP 20 HA ASP 20 16.649 -2.047 0.945 131 HB2 ASP 20 1HB ASP 20 16.324 -2.493 3.919 132 HB3 ASP 20 2HB ASP 20 16.017 -3.712 2.685 133 HA PRO 21 HA PRO 21 12.380 -1.077 0.572 134 HB2 PRO 21 1HB PRO 21 11.442 -3.437 -0.388 135 HB3 PRO 21 2HB PRO 21 12.410 -2.321 -1.359 136 HG2 PRO 21 1HG PRO 21 13.261 -4.797 0.093 137 HG3 PRO 21 2HG PRO 21 13.711 -4.241 -1.530 138 HD2 PRO 21 1HD PRO 21 15.328 -3.924 0.618 139 HD3 PRO 21 2HD PRO 21 15.286 -2.764 -0.724 140 H SER 22 H SER 22 13.444 -3.747 2.525 141 HA SER 22 HA SER 22 10.912 -4.461 3.603 142 HB2 SER 22 1HB SER 22 13.730 -4.916 4.600 143 HB3 SER 22 2HB SER 22 12.300 -5.583 5.386 144 HG SER 22 HG SER 22 13.616 -6.478 3.216 145 H ASP 23 H ASP 23 13.194 -1.957 4.282 146 HA ASP 23 HA ASP 23 12.077 -1.367 6.895 147 HB2 ASP 23 1HB ASP 23 14.363 -0.358 5.272 148 HB3 ASP 23 2HB ASP 23 13.670 0.728 6.474 149 H MET 24 H MET 24 12.003 -0.072 3.622 150 HA MET 24 HA MET 24 10.776 2.371 4.080 151 HB2 MET 24 1HB MET 24 10.837 0.465 1.789 152 HB3 MET 24 2HB MET 24 9.671 1.781 1.736 153 HG2 MET 24 1HG MET 24 11.382 3.417 1.829 154 HG3 MET 24 2HG MET 24 12.604 2.208 2.215 155 HE1 MET 24 1HE MET 24 10.937 3.501 -1.748 156 HE2 MET 24 2HE MET 24 9.861 2.304 -1.027 157 HE3 MET 24 3HE MET 24 10.269 3.772 -0.138 158 H MET 25 H MET 25 9.367 -0.851 3.886 159 HA MET 25 HA MET 25 6.670 -0.171 3.746 160 HB2 MET 25 1HB MET 25 8.136 -2.527 4.892 161 HB3 MET 25 2HB MET 25 6.389 -2.403 5.048 162 HG2 MET 25 1HG MET 25 7.905 -2.364 2.449 163 HG3 MET 25 2HG MET 25 7.080 -3.764 3.130 164 HE1 MET 25 1HE MET 25 3.416 -3.215 2.496 165 HE2 MET 25 2HE MET 25 4.737 -4.373 2.650 166 HE3 MET 25 3HE MET 25 4.348 -3.295 3.992 167 H ARG 26 H ARG 26 8.751 -0.606 6.588 168 HA ARG 26 HA ARG 26 6.771 -0.214 8.538 169 HB2 ARG 26 1HB ARG 26 9.129 -1.103 8.869 170 HB3 ARG 26 2HB ARG 26 9.669 0.570 8.830 171 HG2 ARG 26 1HG ARG 26 8.516 1.097 10.812 172 HG3 ARG 26 2HG ARG 26 7.580 -0.398 10.755 173 HD2 ARG 26 1HD ARG 26 9.442 -1.709 11.343 174 HD3 ARG 26 2HD ARG 26 10.574 -0.402 10.996 175 HE ARG 26 HE ARG 26 8.898 0.473 13.033 176 HH11 ARG 26 1HH1 ARG 26 11.286 -2.005 12.510 177 HH12 ARG 26 2HH1 ARG 26 11.782 -2.060 14.170 178 HH21 ARG 26 1HH2 ARG 26 9.542 0.411 15.221 179 HH22 ARG 26 2HH2 ARG 26 10.789 -0.686 15.710 180 H GLU 27 H GLU 27 9.210 2.108 7.347 181 HA GLU 27 HA GLU 27 8.277 4.348 8.689 182 HB2 GLU 27 1HB GLU 27 10.414 4.335 7.534 183 HB3 GLU 27 2HB GLU 27 9.607 4.173 5.980 184 HG2 GLU 27 1HG GLU 27 10.201 6.420 6.105 185 HG3 GLU 27 2HG GLU 27 8.486 6.393 6.512 186 H ILE 28 H ILE 28 7.359 3.126 5.487 187 HA ILE 28 HA ILE 28 5.703 5.143 4.625 188 HB ILE 28 HB ILE 28 5.508 2.166 4.251 189 HG12 ILE 28 1HG1 ILE 28 5.996 4.226 2.126 190 HG13 ILE 28 2HG1 ILE 28 7.306 3.753 3.202 191 HG21 ILE 28 1HG2 ILE 28 3.335 2.480 3.777 192 HG22 ILE 28 2HG2 ILE 28 3.520 4.225 3.605 193 HG23 ILE 28 3HG2 ILE 28 3.947 3.158 2.268 194 HD11 ILE 28 1HD1 ILE 28 7.679 1.931 2.012 195 HD12 ILE 28 2HD1 ILE 28 5.998 1.423 2.177 196 HD13 ILE 28 3HD1 ILE 28 6.472 2.489 0.855 197 H ARG 29 H ARG 29 4.871 2.430 6.758 198 HA ARG 29 HA ARG 29 2.145 3.205 7.060 199 HB2 ARG 29 1HB ARG 29 3.932 1.314 8.582 200 HB3 ARG 29 2HB ARG 29 2.259 1.599 9.043 201 HG2 ARG 29 1HG ARG 29 1.497 0.789 6.890 202 HG3 ARG 29 2HG ARG 29 3.167 0.569 6.363 203 HD2 ARG 29 1HD ARG 29 3.526 -1.190 7.880 204 HD3 ARG 29 2HD ARG 29 2.083 -0.791 8.811 205 HE ARG 29 HE ARG 29 1.291 -1.449 6.214 206 HH11 ARG 29 1HH1 ARG 29 2.718 -2.961 9.006 207 HH12 ARG 29 2HH1 ARG 29 2.067 -4.528 8.652 208 HH21 ARG 29 1HH2 ARG 29 0.429 -3.506 5.737 209 HH22 ARG 29 2HH2 ARG 29 0.766 -4.837 6.791 210 H LYS 30 H LYS 30 5.116 3.910 8.767 211 HA LYS 30 HA LYS 30 3.965 4.998 11.109 212 HB2 LYS 30 1HB LYS 30 6.282 4.355 11.112 213 HB3 LYS 30 2HB LYS 30 6.643 5.459 9.791 214 HG2 LYS 30 1HG LYS 30 5.976 7.337 11.330 215 HG3 LYS 30 2HG LYS 30 5.947 6.146 12.632 216 HD2 LYS 30 1HD LYS 30 8.347 6.567 10.867 217 HD3 LYS 30 2HD LYS 30 8.092 7.473 12.360 218 HE2 LYS 30 1HE LYS 30 7.905 4.500 12.431 219 HE3 LYS 30 2HE LYS 30 9.499 5.246 12.332 220 HZ1 LYS 30 1HZ LYS 30 7.471 5.554 14.465 221 HZ2 LYS 30 2HZ LYS 30 8.771 6.624 14.301 222 HZ3 LYS 30 3HZ LYS 30 9.058 4.984 14.604 223 H VAL 31 H VAL 31 5.111 6.506 8.103 224 HA VAL 31 HA VAL 31 4.516 9.162 8.843 225 HB VAL 31 HB VAL 31 4.902 7.828 6.177 226 HG11 VAL 31 1HG1 VAL 31 3.531 9.467 5.394 227 HG12 VAL 31 2HG1 VAL 31 3.847 10.539 6.761 228 HG13 VAL 31 3HG1 VAL 31 5.036 10.383 5.467 229 HG21 VAL 31 1HG2 VAL 31 7.011 8.737 6.205 230 HG22 VAL 31 2HG2 VAL 31 6.542 10.070 7.261 231 HG23 VAL 31 3HG2 VAL 31 6.755 8.451 7.927 232 H LEU 32 H LEU 32 2.752 6.987 6.628 233 HA LEU 32 HA LEU 32 0.566 8.492 6.057 234 HB2 LEU 32 1HB LEU 32 0.748 5.548 6.637 235 HB3 LEU 32 2HB LEU 32 -0.728 6.309 6.047 236 HG LEU 32 HG LEU 32 1.821 6.612 4.512 237 HD11 LEU 32 1HD1 LEU 32 -0.056 4.307 4.091 238 HD12 LEU 32 2HD1 LEU 32 1.396 4.171 5.081 239 HD13 LEU 32 3HD1 LEU 32 1.530 4.582 3.371 240 HD21 LEU 32 1HD2 LEU 32 0.335 6.875 2.651 241 HD22 LEU 32 2HD2 LEU 32 -0.219 7.923 3.956 242 HD23 LEU 32 3HD2 LEU 32 -1.054 6.404 3.631 243 H GLY 33 H GLY 33 0.807 6.310 8.873 244 HA2 GLY 33 1HA GLY 33 -1.611 6.793 10.069 245 HA3 GLY 33 2HA GLY 33 -0.133 6.479 10.967 246 H ALA 34 H ALA 34 1.232 8.868 10.104 247 HA ALA 34 HA ALA 34 0.301 10.656 12.096 248 HB1 ALA 34 1HB ALA 34 2.356 11.466 11.895 249 HB2 ALA 34 2HB ALA 34 2.633 10.342 10.563 250 HB3 ALA 34 3HB ALA 34 2.037 11.969 10.234 251 H ASN 35 H ASN 35 0.111 10.665 8.559 252 HA ASN 35 HA ASN 35 -1.341 13.170 8.533 253 HB2 ASN 35 1HB ASN 35 -0.810 11.264 6.244 254 HB3 ASN 35 2HB ASN 35 -1.330 12.942 6.119 255 HD21 ASN 35 1HD2 ASN 35 1.272 10.885 6.055 256 HD22 ASN 35 2HD2 ASN 35 2.539 12.041 6.266 257 H ASN 36 H ASN 36 -2.590 11.097 10.021 258 HA ASN 36 HA ASN 36 -4.512 9.840 10.181 259 HB2 ASN 36 1HB ASN 36 -5.367 12.425 8.883 260 HB3 ASN 36 2HB ASN 36 -6.531 11.216 9.417 261 HD21 ASN 36 1HD2 ASN 36 -5.938 10.395 11.742 262 HD22 ASN 36 2HD2 ASN 36 -5.690 11.658 12.894 263 H CYS 37 H CYS 37 -3.080 8.833 8.095 264 HA CYS 37 HA CYS 37 -5.061 8.441 5.954 265 HB2 CYS 37 1HB CYS 37 -2.062 8.309 5.998 266 HB3 CYS 37 2HB CYS 37 -2.967 7.441 4.765 267 HG CYS 37 HG CYS 37 -2.900 10.821 5.265 268 H ASP 38 H ASP 38 -5.659 6.385 5.329 269 HA ASP 38 HA ASP 38 -4.996 4.266 7.254 270 HB2 ASP 38 1HB ASP 38 -7.410 4.893 5.618 271 HB3 ASP 38 2HB ASP 38 -7.082 3.205 5.998 272 H TYR 39 H TYR 39 -4.026 2.422 6.629 273 HA TYR 39 HA TYR 39 -3.612 1.997 3.744 274 HB2 TYR 39 1HB TYR 39 -1.362 0.966 4.516 275 HB3 TYR 39 2HB TYR 39 -1.498 2.718 4.423 276 HD1 TYR 39 HD1 TYR 39 -1.787 4.042 6.516 277 HD2 TYR 39 HD2 TYR 39 -0.951 -0.130 6.586 278 HE1 TYR 39 HE1 TYR 39 -1.095 4.226 8.870 279 HE2 TYR 39 HE2 TYR 39 -0.259 0.042 8.940 280 HH TYR 39 HH TYR 39 -0.520 3.095 10.714 281 H GLU 40 H GLU 40 -3.905 -0.035 2.998 282 HA GLU 40 HA GLU 40 -4.543 -2.111 4.991 283 HB2 GLU 40 1HB GLU 40 -5.732 -1.587 2.269 284 HB3 GLU 40 2HB GLU 40 -5.969 -3.098 3.135 285 HG2 GLU 40 1HG GLU 40 -6.889 -1.719 5.037 286 HG3 GLU 40 2HG GLU 40 -6.886 -0.352 3.925 287 H GLN 41 H GLN 41 -3.596 -4.079 4.811 288 HA GLN 41 HA GLN 41 -1.247 -4.303 3.220 289 HB2 GLN 41 1HB GLN 41 -1.828 -5.378 5.528 290 HB3 GLN 41 2HB GLN 41 -2.546 -6.654 4.552 291 HG2 GLN 41 1HG GLN 41 0.299 -5.730 4.253 292 HG3 GLN 41 2HG GLN 41 -0.196 -7.067 5.289 293 HE21 GLN 41 1HE2 GLN 41 1.596 -7.216 3.088 294 HE22 GLN 41 2HE2 GLN 41 0.894 -8.273 1.916 295 H ARG 42 H ARG 42 -1.389 -4.538 1.081 296 HA ARG 42 HA ARG 42 -3.487 -6.242 -0.044 297 HB2 ARG 42 1HB ARG 42 -1.557 -4.368 -1.426 298 HB3 ARG 42 2HB ARG 42 -2.870 -5.244 -2.201 299 HG2 ARG 42 1HG ARG 42 -3.299 -3.257 0.013 300 HG3 ARG 42 2HG ARG 42 -3.317 -2.828 -1.699 301 HD2 ARG 42 1HD ARG 42 -5.547 -3.200 -1.357 302 HD3 ARG 42 2HD ARG 42 -5.035 -4.819 -1.833 303 HE ARG 42 HE ARG 42 -4.863 -4.492 0.978 304 HH11 ARG 42 1HH1 ARG 42 -7.147 -4.964 -1.607 305 HH12 ARG 42 2HH1 ARG 42 -8.319 -5.749 -0.603 306 HH21 ARG 42 1HH2 ARG 42 -6.399 -5.525 2.310 307 HH22 ARG 42 2HH2 ARG 42 -7.893 -6.068 1.626 308 H GLU 43 H GLU 43 -0.155 -5.617 -1.114 309 HA GLU 43 HA GLU 43 0.181 -8.523 -1.446 310 HB2 GLU 43 1HB GLU 43 1.684 -6.317 -2.861 311 HB3 GLU 43 2HB GLU 43 1.784 -8.040 -3.196 312 HG2 GLU 43 1HG GLU 43 -0.581 -6.238 -3.647 313 HG3 GLU 43 2HG GLU 43 0.435 -6.996 -4.872 314 H ARG 44 H ARG 44 2.667 -9.070 -1.488 315 HA ARG 44 HA ARG 44 3.641 -8.997 1.065 316 HB2 ARG 44 1HB ARG 44 5.898 -9.450 0.043 317 HB3 ARG 44 2HB ARG 44 4.606 -10.510 -0.502 318 HG2 ARG 44 1HG ARG 44 4.374 -9.058 -2.521 319 HG3 ARG 44 2HG ARG 44 5.821 -8.197 -1.991 320 HD2 ARG 44 1HD ARG 44 6.811 -9.724 -3.351 321 HD3 ARG 44 2HD ARG 44 6.772 -10.676 -1.867 322 HE ARG 44 HE ARG 44 4.402 -11.080 -3.356 323 HH11 ARG 44 1HH1 ARG 44 7.791 -11.879 -3.336 324 HH12 ARG 44 2HH1 ARG 44 7.578 -13.369 -4.193 325 HH21 ARG 44 1HH2 ARG 44 4.109 -13.040 -4.485 326 HH22 ARG 44 2HH2 ARG 44 5.484 -14.028 -4.847 327 H PHE 45 H PHE 45 4.371 -6.721 -1.555 328 HA PHE 45 HA PHE 45 5.383 -4.847 0.476 329 HB2 PHE 45 1HB PHE 45 6.537 -5.450 -2.247 330 HB3 PHE 45 2HB PHE 45 6.940 -3.993 -1.344 331 HD1 PHE 45 HD2 PHE 45 7.891 -4.318 1.023 332 HD2 PHE 45 HD1 PHE 45 7.728 -7.404 -1.904 333 HE1 PHE 45 HE2 PHE 45 9.641 -5.553 2.233 334 HE2 PHE 45 HE1 PHE 45 9.477 -8.645 -0.698 335 HZ PHE 45 HZ PHE 45 10.437 -7.719 1.373 336 H LEU 46 H LEU 46 2.726 -5.001 -0.500 337 HA LEU 46 HA LEU 46 2.539 -2.373 -1.791 338 HB2 LEU 46 1HB LEU 46 2.179 -4.391 -3.360 339 HB3 LEU 46 2HB LEU 46 0.646 -4.581 -2.511 340 HG LEU 46 HG LEU 46 1.297 -1.929 -3.705 341 HD11 LEU 46 1HD1 LEU 46 -0.177 -3.506 -5.574 342 HD12 LEU 46 2HD1 LEU 46 1.361 -4.297 -5.229 343 HD13 LEU 46 3HD1 LEU 46 1.337 -2.631 -5.806 344 HD21 LEU 46 1HD2 LEU 46 -1.000 -1.643 -3.741 345 HD22 LEU 46 2HD2 LEU 46 -0.760 -2.594 -2.275 346 HD23 LEU 46 3HD2 LEU 46 -1.321 -3.377 -3.752 347 H LEU 47 H LEU 47 0.918 -1.076 -1.049 348 HA LEU 47 HA LEU 47 -1.044 -2.217 0.804 349 HB2 LEU 47 1HB LEU 47 0.733 0.148 1.378 350 HB3 LEU 47 2HB LEU 47 -0.677 -0.294 2.339 351 HG LEU 47 HG LEU 47 1.473 -2.320 1.962 352 HD11 LEU 47 1HD1 LEU 47 3.037 -1.289 3.174 353 HD12 LEU 47 2HD1 LEU 47 1.856 -0.634 4.307 354 HD13 LEU 47 3HD1 LEU 47 2.175 0.200 2.787 355 HD21 LEU 47 1HD2 LEU 47 0.238 -1.794 4.576 356 HD22 LEU 47 2HD2 LEU 47 0.509 -3.318 3.731 357 HD23 LEU 47 3HD2 LEU 47 -0.876 -2.310 3.309 358 H PHE 48 H PHE 48 -2.879 -0.800 1.209 359 HA PHE 48 HA PHE 48 -3.384 0.972 -1.086 360 HB2 PHE 48 1HB PHE 48 -4.837 -1.080 -0.781 361 HB3 PHE 48 2HB PHE 48 -5.460 -0.325 0.682 362 HD1 PHE 48 HD1 PHE 48 -6.671 1.862 0.500 363 HD2 PHE 48 HD2 PHE 48 -5.654 -0.489 -2.900 364 HE1 PHE 48 HE1 PHE 48 -8.339 3.080 -0.838 365 HE2 PHE 48 HE2 PHE 48 -7.319 0.726 -4.243 366 HZ PHE 48 HZ PHE 48 -8.664 2.513 -3.213 367 H CYS 49 H CYS 49 -2.752 2.950 -0.369 368 HA CYS 49 HA CYS 49 -3.343 3.889 2.275 369 HB2 CYS 49 1HB CYS 49 -2.196 5.207 -0.183 370 HB3 CYS 49 2HB CYS 49 -2.503 6.098 1.303 371 HG CYS 49 HG CYS 49 -0.256 3.573 0.821 372 H VAL 50 H VAL 50 -4.795 5.501 2.883 373 HA VAL 50 HA VAL 50 -6.739 6.415 0.899 374 HB VAL 50 HB VAL 50 -7.419 4.817 3.355 375 HG11 VAL 50 1HG1 VAL 50 -9.843 5.525 2.510 376 HG12 VAL 50 2HG1 VAL 50 -8.960 6.445 3.730 377 HG13 VAL 50 3HG1 VAL 50 -8.964 6.982 2.049 378 HG21 VAL 50 1HG2 VAL 50 -7.685 3.238 1.808 379 HG22 VAL 50 2HG2 VAL 50 -9.077 4.151 1.225 380 HG23 VAL 50 3HG2 VAL 50 -7.491 4.399 0.495 381 H HIS 51 H HIS 51 -7.163 8.508 1.151 382 HA HIS 51 HA HIS 51 -7.023 9.701 3.820 383 HB2 HIS 51 1HB HIS 51 -4.836 9.956 2.415 384 HB3 HIS 51 2HB HIS 51 -5.764 11.152 1.515 385 HD1 HIS 51 HD1 HIS 51 -4.608 13.243 2.294 386 HD2 HIS 51 HD2 HIS 51 -5.849 10.829 5.441 387 HE1 HIS 51 HE1 HIS 51 -4.240 14.608 4.374 388 HE2 HIS 51 HE2 HIS 51 -4.918 13.095 6.271 389 H GLY 52 H GLY 52 -8.018 11.860 3.913 390 HA2 GLY 52 1HA GLY 52 -10.062 12.197 1.803 391 HA3 GLY 52 2HA GLY 52 -10.428 12.387 3.511 392 H ASP 53 H ASP 53 -8.401 13.903 4.451 393 HA ASP 53 HA ASP 53 -8.141 16.181 4.773 394 HB2 ASP 53 1HB ASP 53 -6.164 15.376 3.486 395 HB3 ASP 53 2HB ASP 53 -6.976 15.860 2.000 396 H GLY 54 H GLY 54 -10.738 15.895 4.107 397 HA2 GLY 54 1HA GLY 54 -11.575 18.361 3.274 398 HA3 GLY 54 2HA GLY 54 -11.456 17.431 1.789 399 H HIS 55 H HIS 55 -13.588 17.267 1.285 400 HA HIS 55 HA HIS 55 -15.559 16.537 3.248 401 HB2 HIS 55 1HB HIS 55 -15.610 17.032 0.286 402 HB3 HIS 55 2HB HIS 55 -17.000 16.312 1.093 403 HD1 HIS 55 HD1 HIS 55 -17.670 17.866 3.386 404 HD2 HIS 55 HD2 HIS 55 -15.879 19.704 0.119 405 HE1 HIS 55 HE1 HIS 55 -18.216 20.311 3.607 406 HE2 HIS 55 HE2 HIS 55 -17.194 21.390 1.574 407 H ALA 56 H ALA 56 -17.109 14.685 2.670 408 HA ALA 56 HA ALA 56 -15.598 12.260 2.698 409 HB1 ALA 56 1HB ALA 56 -18.574 12.738 2.614 410 HB2 ALA 56 2HB ALA 56 -17.813 11.164 2.845 411 HB3 ALA 56 3HB ALA 56 -17.587 12.437 4.045 412 H GLU 57 H GLU 57 -17.684 13.872 0.346 413 HA GLU 57 HA GLU 57 -17.519 11.719 -1.553 414 HB2 GLU 57 1HB GLU 57 -18.468 14.562 -1.944 415 HB3 GLU 57 2HB GLU 57 -18.727 13.224 -3.054 416 HG2 GLU 57 1HG GLU 57 -20.269 12.197 -1.664 417 HG3 GLU 57 2HG GLU 57 -19.708 13.066 -0.237 418 H ASN 58 H ASN 58 -15.232 13.734 -0.516 419 HA ASN 58 HA ASN 58 -13.966 13.952 -3.168 420 HB2 ASN 58 1HB ASN 58 -13.725 15.802 -0.788 421 HB3 ASN 58 2HB ASN 58 -12.688 15.891 -2.209 422 HD21 ASN 58 1HD2 ASN 58 -16.172 15.411 -1.739 423 HD22 ASN 58 2HD2 ASN 58 -16.662 16.709 -2.768 424 H LEU 59 H LEU 59 -13.921 11.833 -1.013 425 HA LEU 59 HA LEU 59 -11.373 11.855 0.216 426 HB2 LEU 59 1HB LEU 59 -13.286 10.478 0.962 427 HB3 LEU 59 2HB LEU 59 -13.102 9.486 -0.483 428 HG LEU 59 HG LEU 59 -10.648 9.196 0.508 429 HD11 LEU 59 1HD1 LEU 59 -10.412 9.440 2.751 430 HD12 LEU 59 2HD1 LEU 59 -12.122 9.160 3.076 431 HD13 LEU 59 3HD1 LEU 59 -11.585 10.726 2.470 432 HD21 LEU 59 1HD2 LEU 59 -12.787 7.599 0.154 433 HD22 LEU 59 2HD2 LEU 59 -12.636 7.530 1.910 434 HD23 LEU 59 3HD2 LEU 59 -11.275 7.063 0.888 435 H VAL 60 H VAL 60 -9.459 10.838 -0.343 436 HA VAL 60 HA VAL 60 -9.245 10.025 -3.169 437 HB VAL 60 HB VAL 60 -7.142 11.312 -1.423 438 HG11 VAL 60 1HG1 VAL 60 -6.861 10.799 -4.359 439 HG12 VAL 60 2HG1 VAL 60 -5.609 11.106 -3.153 440 HG13 VAL 60 3HG1 VAL 60 -6.442 9.551 -3.186 441 HG21 VAL 60 1HG2 VAL 60 -9.010 12.326 -3.497 442 HG22 VAL 60 2HG2 VAL 60 -8.419 13.104 -2.029 443 HG23 VAL 60 3HG2 VAL 60 -7.381 12.999 -3.451 444 H GLN 61 H GLN 61 -8.274 8.124 -3.662 445 HA GLN 61 HA GLN 61 -7.003 6.608 -1.492 446 HB2 GLN 61 1HB GLN 61 -9.023 5.461 -3.427 447 HB3 GLN 61 2HB GLN 61 -8.172 4.575 -2.169 448 HG2 GLN 61 1HG GLN 61 -9.315 5.782 -0.452 449 HG3 GLN 61 2HG GLN 61 -10.040 6.870 -1.635 450 HE21 GLN 61 1HE2 GLN 61 -11.310 5.146 0.344 451 HE22 GLN 61 2HE2 GLN 61 -12.365 4.101 -0.537 452 H TRP 62 H TRP 62 -5.195 5.542 -2.062 453 HA TRP 62 HA TRP 62 -4.664 4.837 -4.814 454 HB2 TRP 62 1HB TRP 62 -2.696 6.172 -5.106 455 HB3 TRP 62 2HB TRP 62 -3.996 7.256 -4.619 456 HD1 TRP 62 HD1 TRP 62 -0.582 6.056 -3.581 457 HE1 TRP 62 HE1 TRP 62 0.147 7.285 -1.440 458 HE3 TRP 62 HE3 TRP 62 -5.021 8.288 -2.374 459 HZ2 TRP 62 HZ2 TRP 62 -1.007 8.975 0.504 460 HZ3 TRP 62 HZ3 TRP 62 -5.124 9.694 -0.357 461 HH2 TRP 62 HH2 TRP 62 -3.158 10.029 1.051 462 H GLU 63 H GLU 63 -2.990 3.336 -5.043 463 HA GLU 63 HA GLU 63 -2.220 2.036 -2.540 464 HB2 GLU 63 1HB GLU 63 -2.475 1.153 -5.379 465 HB3 GLU 63 2HB GLU 63 -1.352 0.293 -4.336 466 HG2 GLU 63 1HG GLU 63 -3.010 -0.569 -3.021 467 HG3 GLU 63 2HG GLU 63 -4.121 0.756 -3.362 468 H MET 64 H MET 64 0.011 0.970 -2.589 469 HA MET 64 HA MET 64 2.028 2.504 -4.016 470 HB2 MET 64 1HB MET 64 1.761 2.483 -1.014 471 HB3 MET 64 2HB MET 64 3.280 2.852 -1.820 472 HG2 MET 64 1HG MET 64 2.415 4.807 -2.789 473 HG3 MET 64 2HG MET 64 0.754 4.350 -2.420 474 HE1 MET 64 1HE MET 64 3.852 6.465 -0.997 475 HE2 MET 64 2HE MET 64 3.910 5.729 0.605 476 HE3 MET 64 3HE MET 64 4.172 4.738 -0.831 477 H GLU 65 H GLU 65 3.766 1.298 -4.528 478 HA GLU 65 HA GLU 65 4.125 -1.268 -3.131 479 HB2 GLU 65 1HB GLU 65 3.106 -1.854 -5.198 480 HB3 GLU 65 2HB GLU 65 4.121 -0.736 -6.098 481 HG2 GLU 65 1HG GLU 65 5.055 -2.782 -6.592 482 HG3 GLU 65 2HG GLU 65 6.075 -2.201 -5.277 483 H VAL 66 H VAL 66 6.209 -1.914 -2.758 484 HA VAL 66 HA VAL 66 8.290 0.068 -3.390 485 HB VAL 66 HB VAL 66 8.247 -2.018 -1.204 486 HG11 VAL 66 1HG1 VAL 66 10.255 -0.783 -0.380 487 HG12 VAL 66 2HG1 VAL 66 10.508 -1.652 -1.895 488 HG13 VAL 66 3HG1 VAL 66 10.275 0.097 -1.908 489 HG21 VAL 66 1HG2 VAL 66 6.712 0.055 -1.069 490 HG22 VAL 66 2HG2 VAL 66 7.731 -0.335 0.316 491 HG23 VAL 66 3HG2 VAL 66 8.207 0.949 -0.795 492 H CYS 67 H CYS 67 9.085 -0.607 -5.330 493 HA CYS 67 HA CYS 67 10.166 -3.346 -5.433 494 HB2 CYS 67 1HB CYS 67 8.289 -2.810 -7.048 495 HB3 CYS 67 2HB CYS 67 9.387 -1.674 -7.824 496 HG CYS 67 HG CYS 67 9.739 -5.070 -7.649 497 H LYS 68 H LYS 68 12.127 -3.608 -6.731 498 HA LYS 68 HA LYS 68 13.948 -1.377 -6.272 499 HB2 LYS 68 1HB LYS 68 15.731 -2.984 -6.637 500 HB3 LYS 68 2HB LYS 68 14.573 -3.631 -5.481 501 HG2 LYS 68 1HG LYS 68 13.531 -4.892 -7.387 502 HG3 LYS 68 2HG LYS 68 14.908 -4.390 -8.370 503 HD2 LYS 68 1HD LYS 68 15.438 -5.672 -5.736 504 HD3 LYS 68 2HD LYS 68 14.903 -6.692 -7.073 505 HE2 LYS 68 1HE LYS 68 16.750 -5.875 -8.442 506 HE3 LYS 68 2HE LYS 68 17.274 -4.825 -7.126 507 HZ1 LYS 68 1HZ LYS 68 17.286 -7.115 -5.851 508 HZ2 LYS 68 2HZ LYS 68 18.617 -6.596 -6.756 509 HZ3 LYS 68 3HZ LYS 68 17.536 -7.721 -7.410 510 H LEU 69 H LEU 69 15.034 -0.295 -7.852 511 HA LEU 69 HA LEU 69 13.991 -0.546 -10.544 512 HB2 LEU 69 1HB LEU 69 16.119 1.368 -9.639 513 HB3 LEU 69 2HB LEU 69 14.998 1.533 -10.990 514 HG LEU 69 HG LEU 69 13.880 1.431 -8.233 515 HD11 LEU 69 1HD1 LEU 69 14.310 3.704 -7.783 516 HD12 LEU 69 2HD1 LEU 69 14.973 3.979 -9.393 517 HD13 LEU 69 3HD1 LEU 69 15.865 3.000 -8.228 518 HD21 LEU 69 1HD2 LEU 69 13.107 2.337 -10.919 519 HD22 LEU 69 2HD2 LEU 69 12.618 3.399 -9.599 520 HD23 LEU 69 3HD2 LEU 69 12.118 1.707 -9.602 521 HA PRO 70 HA PRO 70 17.327 -2.990 -12.078 522 HB2 PRO 70 1HB PRO 70 17.010 -2.466 -14.722 523 HB3 PRO 70 2HB PRO 70 15.925 -3.527 -13.817 524 HG2 PRO 70 1HG PRO 70 15.563 -0.656 -14.583 525 HG3 PRO 70 2HG PRO 70 14.391 -1.986 -14.640 526 HD2 PRO 70 1HD PRO 70 14.422 -0.156 -12.645 527 HD3 PRO 70 2HD PRO 70 13.928 -1.841 -12.387 528 H ARG 71 H ARG 71 16.964 0.295 -13.404 529 HA ARG 71 HA ARG 71 19.760 0.455 -14.092 530 HB2 ARG 71 1HB ARG 71 17.825 1.579 -15.335 531 HB3 ARG 71 2HB ARG 71 17.811 2.750 -14.023 532 HG2 ARG 71 1HG ARG 71 19.864 3.632 -14.609 533 HG3 ARG 71 2HG ARG 71 20.348 2.182 -15.491 534 HD2 ARG 71 1HD ARG 71 18.050 3.890 -16.394 535 HD3 ARG 71 2HD ARG 71 19.713 4.258 -16.851 536 HE ARG 71 HE ARG 71 19.263 1.586 -17.463 537 HH11 ARG 71 1HH1 ARG 71 18.074 4.711 -18.433 538 HH12 ARG 71 2HH1 ARG 71 17.686 4.208 -20.045 539 HH21 ARG 71 1HH2 ARG 71 18.757 0.912 -19.583 540 HH22 ARG 71 2HH2 ARG 71 18.075 2.047 -20.697 541 H LEU 72 H LEU 72 17.698 2.487 -12.003 542 HA LEU 72 HA LEU 72 19.765 3.792 -10.678 543 HB2 LEU 72 1HB LEU 72 16.935 3.166 -9.910 544 HB3 LEU 72 2HB LEU 72 18.007 4.040 -8.817 545 HG LEU 72 HG LEU 72 18.312 5.723 -10.692 546 HD11 LEU 72 1HD1 LEU 72 16.050 4.094 -11.813 547 HD12 LEU 72 2HD1 LEU 72 17.565 4.550 -12.592 548 HD13 LEU 72 3HD1 LEU 72 16.335 5.773 -12.273 549 HD21 LEU 72 1HD2 LEU 72 15.456 5.829 -10.038 550 HD22 LEU 72 2HD2 LEU 72 16.744 6.986 -9.701 551 HD23 LEU 72 3HD2 LEU 72 16.519 5.586 -8.651 552 H SER 73 H SER 73 18.374 0.639 -10.142 553 HA SER 73 HA SER 73 18.958 -1.091 -8.786 554 HB2 SER 73 1HB SER 73 21.527 0.245 -8.034 555 HB3 SER 73 2HB SER 73 21.215 -1.448 -8.419 556 HG SER 73 HG SER 73 22.372 -0.144 -10.048 557 H LEU 74 H LEU 74 17.435 1.024 -7.677 558 HA LEU 74 HA LEU 74 18.157 0.704 -4.853 559 HB2 LEU 74 1HB LEU 74 17.371 3.278 -6.204 560 HB3 LEU 74 2HB LEU 74 17.384 3.051 -4.456 561 HG LEU 74 HG LEU 74 19.883 2.539 -6.007 562 HD11 LEU 74 1HD1 LEU 74 19.363 5.284 -4.991 563 HD12 LEU 74 2HD1 LEU 74 18.706 4.828 -6.562 564 HD13 LEU 74 3HD1 LEU 74 20.444 4.736 -6.273 565 HD21 LEU 74 1HD2 LEU 74 20.871 2.615 -3.993 566 HD22 LEU 74 2HD2 LEU 74 19.241 2.350 -3.373 567 HD23 LEU 74 3HD2 LEU 74 19.899 3.985 -3.454 568 H ASN 75 H ASN 75 16.204 1.639 -3.487 569 HA ASN 75 HA ASN 75 13.825 0.283 -4.524 570 HB2 ASN 75 1HB ASN 75 14.382 1.239 -1.708 571 HB3 ASN 75 2HB ASN 75 13.062 0.193 -2.222 572 HD21 ASN 75 1HD2 ASN 75 13.968 -1.757 -3.570 573 HD22 ASN 75 2HD2 ASN 75 15.253 -2.613 -2.795 574 H GLY 76 H GLY 76 12.078 1.373 -5.160 575 HA2 GLY 76 1HA GLY 76 11.898 4.229 -4.419 576 HA3 GLY 76 2HA GLY 76 11.404 3.600 -5.984 577 H VAL 77 H VAL 77 9.346 4.607 -5.599 578 HA VAL 77 HA VAL 77 7.561 2.846 -4.097 579 HB VAL 77 HB VAL 77 7.671 5.840 -3.725 580 HG11 VAL 77 1HG1 VAL 77 5.348 4.980 -4.015 581 HG12 VAL 77 2HG1 VAL 77 5.612 3.938 -2.616 582 HG13 VAL 77 3HG1 VAL 77 5.661 5.692 -2.432 583 HG21 VAL 77 1HG2 VAL 77 9.233 4.497 -2.363 584 HG22 VAL 77 2HG2 VAL 77 8.015 5.319 -1.388 585 HG23 VAL 77 3HG2 VAL 77 7.861 3.594 -1.720 586 H ARG 78 H ARG 78 5.741 2.411 -5.181 587 HA ARG 78 HA ARG 78 5.301 3.748 -7.726 588 HB2 ARG 78 1HB ARG 78 5.158 1.418 -7.938 589 HB3 ARG 78 2HB ARG 78 4.233 1.247 -6.453 590 HG2 ARG 78 1HG ARG 78 2.728 0.839 -8.212 591 HG3 ARG 78 2HG ARG 78 2.358 2.462 -7.626 592 HD2 ARG 78 1HD ARG 78 2.393 2.879 -9.866 593 HD3 ARG 78 2HD ARG 78 4.099 3.136 -9.502 594 HE ARG 78 HE ARG 78 4.568 1.382 -10.870 595 HH11 ARG 78 1HH1 ARG 78 1.310 1.013 -9.699 596 HH12 ARG 78 2HH1 ARG 78 0.996 -0.411 -10.634 597 HH21 ARG 78 1HH2 ARG 78 4.167 -0.493 -12.106 598 HH22 ARG 78 2HH2 ARG 78 2.622 -1.267 -12.002 599 H PHE 79 H PHE 79 3.439 4.840 -8.299 600 HA PHE 79 HA PHE 79 1.477 5.345 -6.172 601 HB2 PHE 79 1HB PHE 79 2.941 7.394 -7.831 602 HB3 PHE 79 2HB PHE 79 1.423 7.756 -7.015 603 HD1 PHE 79 HD2 PHE 79 4.876 6.539 -6.396 604 HD2 PHE 79 HD1 PHE 79 1.414 8.427 -4.793 605 HE1 PHE 79 HE2 PHE 79 6.113 7.046 -4.331 606 HE2 PHE 79 HE1 PHE 79 2.647 8.938 -2.725 607 HZ PHE 79 HZ PHE 79 4.999 8.247 -2.492 608 H LYS 80 H LYS 80 -0.150 4.175 -7.089 609 HA LYS 80 HA LYS 80 -0.898 4.778 -9.862 610 HB2 LYS 80 1HB LYS 80 -0.645 2.421 -9.412 611 HB3 LYS 80 2HB LYS 80 -1.703 2.529 -8.011 612 HG2 LYS 80 1HG LYS 80 -3.598 3.005 -9.430 613 HG3 LYS 80 2HG LYS 80 -2.558 3.025 -10.856 614 HD2 LYS 80 1HD LYS 80 -1.922 0.618 -10.080 615 HD3 LYS 80 2HD LYS 80 -3.436 0.711 -9.177 616 HE2 LYS 80 1HE LYS 80 -4.394 1.522 -11.478 617 HE3 LYS 80 2HE LYS 80 -2.973 0.704 -12.126 618 HZ1 LYS 80 1HZ LYS 80 -3.780 -1.236 -10.654 619 HZ2 LYS 80 2HZ LYS 80 -4.554 -0.950 -12.130 620 HZ3 LYS 80 3HZ LYS 80 -5.272 -0.439 -10.686 621 H ARG 81 H ARG 81 -2.840 5.666 -10.395 622 HA ARG 81 HA ARG 81 -4.301 6.963 -8.257 623 HB2 ARG 81 1HB ARG 81 -4.192 7.200 -11.225 624 HB3 ARG 81 2HB ARG 81 -5.660 7.729 -10.414 625 HG2 ARG 81 1HG ARG 81 -4.077 9.091 -8.907 626 HG3 ARG 81 2HG ARG 81 -2.885 8.814 -10.178 627 HD2 ARG 81 1HD ARG 81 -5.604 10.054 -10.587 628 HD3 ARG 81 2HD ARG 81 -4.094 10.952 -10.438 629 HE ARG 81 HE ARG 81 -5.075 9.656 -12.764 630 HH11 ARG 81 1HH1 ARG 81 -2.143 10.387 -11.035 631 HH12 ARG 81 2HH1 ARG 81 -1.146 10.356 -12.451 632 HH21 ARG 81 1HH2 ARG 81 -3.772 9.612 -14.636 633 HH22 ARG 81 2HH2 ARG 81 -2.073 9.916 -14.499 634 H ILE 82 H ILE 82 -6.072 6.172 -7.345 635 HA ILE 82 HA ILE 82 -7.560 4.065 -8.768 636 HB ILE 82 HB ILE 82 -7.072 4.499 -5.834 637 HG12 ILE 82 1HG1 ILE 82 -6.721 1.891 -6.217 638 HG13 ILE 82 2HG1 ILE 82 -6.450 2.414 -7.875 639 HG21 ILE 82 1HG2 ILE 82 -8.683 2.535 -5.546 640 HG22 ILE 82 2HG2 ILE 82 -9.382 4.128 -5.831 641 HG23 ILE 82 3HG2 ILE 82 -9.287 2.959 -7.147 642 HD11 ILE 82 1HD1 ILE 82 -4.324 2.505 -7.098 643 HD12 ILE 82 2HD1 ILE 82 -4.843 4.137 -6.675 644 HD13 ILE 82 3HD1 ILE 82 -4.822 2.871 -5.447 645 H SER 83 H SER 83 -8.186 6.421 -6.160 646 HA SER 83 HA SER 83 -10.673 7.160 -7.555 647 HB2 SER 83 1HB SER 83 -10.239 6.441 -4.678 648 HB3 SER 83 2HB SER 83 -11.499 7.601 -5.099 649 HG SER 83 HG SER 83 -11.239 4.956 -6.102 650 H GLY 84 H GLY 84 -11.504 9.313 -6.957 651 HA2 GLY 84 1HA GLY 84 -11.248 11.543 -6.338 652 HA3 GLY 84 2HA GLY 84 -9.651 11.158 -5.712 653 H THR 85 H THR 85 -10.786 13.281 -7.587 654 HA THR 85 HA THR 85 -9.817 12.917 -10.177 655 HB THR 85 HB THR 85 -11.275 14.775 -9.682 656 HG1 THR 85 HG1 THR 85 -10.084 16.406 -10.761 657 HG21 THR 85 1HG2 THR 85 -10.814 16.512 -8.209 658 HG22 THR 85 2HG2 THR 85 -9.077 16.204 -8.232 659 HG23 THR 85 3HG2 THR 85 -10.155 15.113 -7.362 660 H SER 86 H SER 86 -7.981 14.254 -11.130 661 HA SER 86 HA SER 86 -5.540 13.350 -10.042 662 HB2 SER 86 1HB SER 86 -5.981 15.510 -12.118 663 HB3 SER 86 2HB SER 86 -4.475 14.640 -11.827 664 HG SER 86 HG SER 86 -6.812 13.794 -13.084 665 H ILE 87 H ILE 87 -7.213 16.443 -9.903 666 HA ILE 87 HA ILE 87 -5.224 18.082 -8.913 667 HB ILE 87 HB ILE 87 -8.100 18.134 -8.000 668 HG12 ILE 87 1HG1 ILE 87 -6.788 19.188 -10.504 669 HG13 ILE 87 2HG1 ILE 87 -8.170 18.105 -10.379 670 HG21 ILE 87 1HG2 ILE 87 -6.403 20.549 -8.395 671 HG22 ILE 87 2HG2 ILE 87 -7.757 20.290 -7.297 672 HG23 ILE 87 3HG2 ILE 87 -6.184 19.579 -6.939 673 HD11 ILE 87 1HD1 ILE 87 -9.375 20.044 -9.260 674 HD12 ILE 87 2HD1 ILE 87 -8.049 21.049 -9.848 675 HD13 ILE 87 3HD1 ILE 87 -9.064 20.170 -10.991 676 H ALA 88 H ALA 88 -7.657 16.416 -6.900 677 HA ALA 88 HA ALA 88 -6.377 16.915 -4.455 678 HB1 ALA 88 1HB ALA 88 -8.787 16.075 -4.990 679 HB2 ALA 88 2HB ALA 88 -8.057 14.477 -4.833 680 HB3 ALA 88 3HB ALA 88 -8.003 15.608 -3.481 681 H PHE 89 H PHE 89 -6.262 14.089 -6.600 682 HA PHE 89 HA PHE 89 -4.800 12.328 -5.107 683 HB2 PHE 89 1HB PHE 89 -5.637 11.769 -7.324 684 HB3 PHE 89 2HB PHE 89 -4.510 12.902 -8.063 685 HD1 PHE 89 HD1 PHE 89 -4.387 10.024 -5.686 686 HD2 PHE 89 HD2 PHE 89 -2.662 11.985 -9.047 687 HE1 PHE 89 HE1 PHE 89 -2.713 8.230 -5.869 688 HE2 PHE 89 HE2 PHE 89 -0.986 10.194 -9.236 689 HZ PHE 89 HZ PHE 89 -1.010 8.313 -7.646 690 H LYS 90 H LYS 90 -3.533 14.993 -7.079 691 HA LYS 90 HA LYS 90 -0.803 14.482 -6.488 692 HB2 LYS 90 1HB LYS 90 -1.612 15.791 -8.453 693 HB3 LYS 90 2HB LYS 90 -2.068 17.087 -7.355 694 HG2 LYS 90 1HG LYS 90 0.430 16.946 -6.611 695 HG3 LYS 90 2HG LYS 90 0.643 16.168 -8.181 696 HD2 LYS 90 1HD LYS 90 -0.263 18.955 -7.559 697 HD3 LYS 90 2HD LYS 90 1.025 18.418 -8.640 698 HE2 LYS 90 1HE LYS 90 -0.870 17.321 -9.996 699 HE3 LYS 90 2HE LYS 90 -1.944 18.367 -9.069 700 HZ1 LYS 90 1HZ LYS 90 -1.524 19.839 -10.676 701 HZ2 LYS 90 2HZ LYS 90 -0.146 19.025 -11.221 702 HZ3 LYS 90 3HZ LYS 90 -0.038 20.079 -9.903 703 H ASN 91 H ASN 91 -3.237 16.637 -5.093 704 HA ASN 91 HA ASN 91 -1.681 18.142 -3.391 705 HB2 ASN 91 1HB ASN 91 -4.445 17.021 -2.882 706 HB3 ASN 91 2HB ASN 91 -3.700 18.317 -1.952 707 HD21 ASN 91 1HD2 ASN 91 -6.134 18.510 -3.357 708 HD22 ASN 91 2HD2 ASN 91 -5.935 19.684 -4.608 709 H ILE 92 H ILE 92 -3.357 15.116 -2.507 710 HA ILE 92 HA ILE 92 -2.035 14.863 -0.014 711 HB ILE 92 HB ILE 92 -4.208 13.779 -0.548 712 HG12 ILE 92 1HG1 ILE 92 -3.840 11.897 0.823 713 HG13 ILE 92 2HG1 ILE 92 -2.206 11.662 0.211 714 HG21 ILE 92 1HG2 ILE 92 -2.470 12.269 -2.436 715 HG22 ILE 92 2HG2 ILE 92 -3.836 11.443 -1.689 716 HG23 ILE 92 3HG2 ILE 92 -4.105 12.891 -2.658 717 HD11 ILE 92 1HD1 ILE 92 -1.332 13.330 1.533 718 HD12 ILE 92 2HD1 ILE 92 -2.887 14.143 1.718 719 HD13 ILE 92 3HD1 ILE 92 -2.571 12.637 2.579 720 H ALA 93 H ALA 93 -0.956 14.367 -3.158 721 HA ALA 93 HA ALA 93 0.852 12.191 -2.613 722 HB1 ALA 93 1HB ALA 93 1.035 14.041 -4.969 723 HB2 ALA 93 2HB ALA 93 1.510 12.346 -4.852 724 HB3 ALA 93 3HB ALA 93 -0.199 12.784 -4.869 725 H SER 94 H SER 94 1.058 15.706 -2.871 726 HA SER 94 HA SER 94 3.885 15.859 -2.679 727 HB2 SER 94 1HB SER 94 2.267 17.665 -3.511 728 HB3 SER 94 2HB SER 94 1.977 18.029 -1.810 729 HG SER 94 HG SER 94 4.183 18.482 -1.586 730 H LYS 95 H LYS 95 1.543 15.025 -0.427 731 HA LYS 95 HA LYS 95 3.005 16.037 1.880 732 HB2 LYS 95 1HB LYS 95 0.526 14.309 1.822 733 HB3 LYS 95 2HB LYS 95 1.167 15.187 3.204 734 HG2 LYS 95 1HG LYS 95 0.445 16.713 0.756 735 HG3 LYS 95 2HG LYS 95 -0.844 16.125 1.808 736 HD2 LYS 95 1HD LYS 95 -0.058 17.373 3.642 737 HD3 LYS 95 2HD LYS 95 1.504 17.669 2.876 738 HE2 LYS 95 1HE LYS 95 0.547 19.181 1.317 739 HE3 LYS 95 2HE LYS 95 -1.092 18.706 1.759 740 HZ1 LYS 95 1HZ LYS 95 0.082 20.873 2.709 741 HZ2 LYS 95 2HZ LYS 95 0.576 19.772 3.894 742 HZ3 LYS 95 3HZ LYS 95 -1.072 20.003 3.589 743 H ILE 96 H ILE 96 2.660 13.146 0.031 744 HA ILE 96 HA ILE 96 3.856 11.490 2.114 745 HB ILE 96 HB ILE 96 3.037 10.686 -0.678 746 HG12 ILE 96 1HG1 ILE 96 1.161 11.567 0.755 747 HG13 ILE 96 2HG1 ILE 96 0.971 9.894 0.241 748 HG21 ILE 96 1HG2 ILE 96 4.581 9.361 1.228 749 HG22 ILE 96 2HG2 ILE 96 2.984 8.622 1.331 750 HG23 ILE 96 3HG2 ILE 96 3.837 8.666 -0.212 751 HD11 ILE 96 1HD1 ILE 96 0.741 10.860 2.809 752 HD12 ILE 96 2HD1 ILE 96 0.912 9.169 2.337 753 HD13 ILE 96 3HD1 ILE 96 2.336 10.108 2.786 754 H ALA 97 H ALA 97 4.509 12.235 -1.315 755 HA ALA 97 HA ALA 97 7.003 11.086 -1.538 756 HB1 ALA 97 1HB ALA 97 5.892 11.924 -3.478 757 HB2 ALA 97 2HB ALA 97 5.928 13.573 -2.854 758 HB3 ALA 97 3HB ALA 97 7.428 12.777 -3.327 759 H ASN 98 H ASN 98 6.091 13.966 0.151 760 HA ASN 98 HA ASN 98 8.851 14.865 0.415 761 HB2 ASN 98 1HB ASN 98 7.275 16.629 0.062 762 HB3 ASN 98 2HB ASN 98 6.219 16.025 1.336 763 HD21 ASN 98 1HD2 ASN 98 9.554 17.132 0.857 764 HD22 ASN 98 2HD2 ASN 98 9.657 18.007 2.343 765 H GLU 99 H GLU 99 6.194 14.416 2.754 766 HA GLU 99 HA GLU 99 7.466 14.362 5.097 767 HB2 GLU 99 1HB GLU 99 5.285 12.577 4.074 768 HB3 GLU 99 2HB GLU 99 5.918 12.344 5.697 769 HG2 GLU 99 1HG GLU 99 4.722 14.892 4.634 770 HG3 GLU 99 2HG GLU 99 3.913 13.733 5.686 771 H LEU 100 H LEU 100 7.286 11.505 2.976 772 HA LEU 100 HA LEU 100 8.601 9.608 4.332 773 HB2 LEU 100 1HB LEU 100 8.890 10.424 1.462 774 HB3 LEU 100 2HB LEU 100 9.762 9.035 2.107 775 HG LEU 100 HG LEU 100 6.768 9.370 1.946 776 HD11 LEU 100 1HD1 LEU 100 7.940 7.047 0.689 777 HD12 LEU 100 2HD1 LEU 100 8.593 8.544 0.026 778 HD13 LEU 100 3HD1 LEU 100 6.852 8.264 0.021 779 HD21 LEU 100 1HD2 LEU 100 7.329 6.742 2.570 780 HD22 LEU 100 2HD2 LEU 100 6.693 7.963 3.673 781 HD23 LEU 100 3HD2 LEU 100 8.429 7.656 3.603 782 H LYS 101 H LYS 101 10.304 9.741 5.629 783 HA LYS 101 HA LYS 101 12.431 11.639 5.126 784 HB2 LYS 101 1HB LYS 101 11.786 9.738 7.361 785 HB3 LYS 101 2HB LYS 101 13.362 10.512 7.269 786 HG2 LYS 101 1HG LYS 101 10.790 12.063 7.246 787 HG3 LYS 101 2HG LYS 101 11.643 11.637 8.731 788 HD2 LYS 101 1HD LYS 101 13.071 13.027 6.493 789 HD3 LYS 101 2HD LYS 101 12.089 13.942 7.640 790 HE2 LYS 101 1HE LYS 101 14.101 14.039 8.708 791 HE3 LYS 101 2HE LYS 101 13.484 12.538 9.395 792 HZ1 LYS 101 1HZ LYS 101 15.862 12.854 8.101 793 HZ2 LYS 101 2HZ LYS 101 14.882 12.116 6.938 794 HZ3 LYS 101 3HZ LYS 101 15.107 11.380 8.444 795 H LEU 102 H LEU 102 12.301 9.783 3.086 796 HA LEU 102 HA LEU 102 14.542 7.954 3.604 797 HB2 LEU 102 1HB LEU 102 12.936 7.897 1.092 798 HB3 LEU 102 2HB LEU 102 13.768 6.583 1.921 799 HG LEU 102 HG LEU 102 11.383 7.835 3.207 800 HD11 LEU 102 1HD1 LEU 102 10.936 5.523 1.410 801 HD12 LEU 102 2HD1 LEU 102 11.076 7.116 0.667 802 HD13 LEU 102 3HD1 LEU 102 9.840 6.820 1.890 803 HD21 LEU 102 1HD2 LEU 102 11.145 5.695 4.215 804 HD22 LEU 102 2HD2 LEU 102 12.849 6.136 4.331 805 HD23 LEU 102 3HD2 LEU 102 12.319 4.974 3.113 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 21.214 14.878 -5.341 2 HA2 GLY 1 1HA GLY 1 20.865 15.816 -7.491 3 HA3 GLY 1 2HA GLY 1 22.418 15.006 -7.635 4 H SER 2 H SER 2 21.461 15.216 -9.956 5 HA SER 2 HA SER 2 19.540 13.167 -10.640 6 HB2 SER 2 1HB SER 2 19.594 15.336 -11.842 7 HB3 SER 2 2HB SER 2 21.198 14.936 -12.455 8 HG SER 2 HG SER 2 18.790 14.179 -13.386 9 H SER 3 H SER 3 19.939 11.326 -11.876 10 HA SER 3 HA SER 3 22.719 10.384 -11.761 11 HB2 SER 3 1HB SER 3 20.863 9.092 -10.592 12 HB3 SER 3 2HB SER 3 20.261 8.683 -12.198 13 HG SER 3 HG SER 3 22.177 7.484 -10.837 14 H GLY 4 H GLY 4 19.860 10.014 -13.872 15 HA2 GLY 4 1HA GLY 4 21.442 10.624 -16.210 16 HA3 GLY 4 2HA GLY 4 20.959 8.938 -16.101 17 H SER 5 H SER 5 19.426 8.688 -17.602 18 HA SER 5 HA SER 5 17.080 10.455 -17.443 19 HB2 SER 5 1HB SER 5 18.298 9.410 -20.011 20 HB3 SER 5 2HB SER 5 16.866 10.429 -19.875 21 HG SER 5 HG SER 5 19.362 11.211 -20.079 22 H SER 6 H SER 6 15.083 9.497 -18.039 23 HA SER 6 HA SER 6 15.080 6.585 -17.691 24 HB2 SER 6 1HB SER 6 12.939 8.681 -17.302 25 HB3 SER 6 2HB SER 6 12.607 6.950 -17.241 26 HG SER 6 HG SER 6 14.186 8.516 -15.508 27 H GLY 7 H GLY 7 15.161 5.540 -19.581 28 HA2 GLY 7 1HA GLY 7 14.456 6.488 -22.083 29 HA3 GLY 7 2HA GLY 7 14.508 4.786 -21.650 30 H ARG 8 H ARG 8 12.548 3.923 -20.541 31 HA ARG 8 HA ARG 8 10.244 4.515 -22.079 32 HB2 ARG 8 1HB ARG 8 10.675 2.808 -19.629 33 HB3 ARG 8 2HB ARG 8 9.115 2.945 -20.429 34 HG2 ARG 8 1HG ARG 8 9.902 1.902 -22.381 35 HG3 ARG 8 2HG ARG 8 11.589 2.092 -21.896 36 HD2 ARG 8 1HD ARG 8 10.799 0.639 -19.841 37 HD3 ARG 8 2HD ARG 8 9.549 0.129 -20.975 38 HE ARG 8 HE ARG 8 12.229 -0.023 -22.020 39 HH11 ARG 8 1HH1 ARG 8 9.724 -1.679 -20.258 40 HH12 ARG 8 2HH1 ARG 8 10.330 -3.260 -20.627 41 HH21 ARG 8 1HH2 ARG 8 13.036 -2.099 -22.512 42 HH22 ARG 8 2HH2 ARG 8 12.214 -3.498 -21.908 43 H PHE 9 H PHE 9 8.055 4.658 -20.701 44 HA PHE 9 HA PHE 9 8.339 6.818 -18.730 45 HB2 PHE 9 1HB PHE 9 6.302 7.891 -19.787 46 HB3 PHE 9 2HB PHE 9 7.786 7.987 -20.730 47 HD1 PHE 9 HD1 PHE 9 8.048 6.713 -22.776 48 HD2 PHE 9 HD2 PHE 9 4.444 6.546 -20.518 49 HE1 PHE 9 HE1 PHE 9 6.896 5.693 -24.696 50 HE2 PHE 9 HE2 PHE 9 3.287 5.525 -22.434 51 HZ PHE 9 HZ PHE 9 4.513 5.097 -24.526 52 H THR 10 H THR 10 7.955 4.192 -18.039 53 HA THR 10 HA THR 10 5.219 4.273 -16.976 54 HB THR 10 HB THR 10 6.497 1.738 -18.010 55 HG1 THR 10 HG1 THR 10 4.290 3.069 -19.190 56 HG21 THR 10 1HG2 THR 10 4.221 0.824 -17.735 57 HG22 THR 10 2HG2 THR 10 3.707 2.358 -17.032 58 HG23 THR 10 3HG2 THR 10 4.911 1.368 -16.207 59 H TRP 11 H TRP 11 5.165 4.009 -14.842 60 HA TRP 11 HA TRP 11 5.855 3.667 -12.700 61 HB2 TRP 11 1HB TRP 11 5.703 1.275 -13.770 62 HB3 TRP 11 2HB TRP 11 7.457 1.304 -13.607 63 HD1 TRP 11 HD1 TRP 11 7.074 3.057 -10.730 64 HE1 TRP 11 HE1 TRP 11 6.592 1.648 -8.631 65 HE3 TRP 11 HE3 TRP 11 5.449 -1.232 -12.987 66 HZ2 TRP 11 HZ2 TRP 11 5.648 -0.939 -8.013 67 HZ3 TRP 11 HZ3 TRP 11 4.776 -3.128 -11.571 68 HH2 TRP 11 HH2 TRP 11 4.874 -2.983 -9.135 69 H SER 12 H SER 12 7.310 5.612 -13.720 70 HA SER 12 HA SER 12 10.030 5.049 -12.750 71 HB2 SER 12 1HB SER 12 10.885 6.644 -14.482 72 HB3 SER 12 2HB SER 12 10.200 5.166 -15.157 73 HG SER 12 HG SER 12 8.523 6.268 -15.925 74 H MET 13 H MET 13 10.520 6.281 -11.070 75 HA MET 13 HA MET 13 9.529 9.037 -10.974 76 HB2 MET 13 1HB MET 13 7.950 7.971 -9.582 77 HB3 MET 13 2HB MET 13 9.168 6.934 -8.853 78 HG2 MET 13 1HG MET 13 10.151 8.883 -7.742 79 HG3 MET 13 2HG MET 13 8.905 9.904 -8.455 80 HE1 MET 13 1HE MET 13 9.405 7.371 -5.150 81 HE2 MET 13 2HE MET 13 8.076 6.373 -5.740 82 HE3 MET 13 3HE MET 13 9.484 6.661 -6.763 83 H LYS 14 H LYS 14 10.711 10.390 -9.431 84 HA LYS 14 HA LYS 14 13.534 9.745 -9.482 85 HB2 LYS 14 1HB LYS 14 12.786 11.996 -10.101 86 HB3 LYS 14 2HB LYS 14 12.086 12.213 -8.503 87 HG2 LYS 14 1HG LYS 14 14.093 13.345 -8.349 88 HG3 LYS 14 2HG LYS 14 14.478 11.774 -7.642 89 HD2 LYS 14 1HD LYS 14 15.231 11.118 -10.008 90 HD3 LYS 14 2HD LYS 14 15.209 12.850 -10.349 91 HE2 LYS 14 1HE LYS 14 16.738 11.603 -8.071 92 HE3 LYS 14 2HE LYS 14 17.436 11.936 -9.655 93 HZ1 LYS 14 1HZ LYS 14 17.394 13.658 -7.572 94 HZ2 LYS 14 2HZ LYS 14 16.083 14.193 -8.496 95 HZ3 LYS 14 3HZ LYS 14 17.623 14.096 -9.190 96 H THR 15 H THR 15 11.129 10.613 -7.004 97 HA THR 15 HA THR 15 12.632 10.508 -4.732 98 HB THR 15 HB THR 15 9.869 9.310 -5.008 99 HG1 THR 15 HG1 THR 15 9.773 11.417 -5.715 100 HG21 THR 15 1HG2 THR 15 10.570 10.702 -2.538 101 HG22 THR 15 2HG2 THR 15 11.543 9.260 -2.826 102 HG23 THR 15 3HG2 THR 15 9.785 9.140 -2.773 103 H THR 16 H THR 16 13.945 9.048 -3.878 104 HA THR 16 HA THR 16 13.239 6.221 -3.962 105 HB THR 16 HB THR 16 15.612 5.636 -4.628 106 HG1 THR 16 HG1 THR 16 15.581 8.404 -5.270 107 HG21 THR 16 1HG2 THR 16 13.469 5.711 -6.123 108 HG22 THR 16 2HG2 THR 16 15.053 5.492 -6.867 109 HG23 THR 16 3HG2 THR 16 14.282 7.078 -6.884 110 H SER 17 H SER 17 14.110 5.013 -2.291 111 HA SER 17 HA SER 17 15.277 6.595 -0.123 112 HB2 SER 17 1HB SER 17 13.291 5.338 0.473 113 HB3 SER 17 2HB SER 17 14.009 3.846 -0.135 114 HG SER 17 HG SER 17 14.403 3.767 1.996 115 H SER 18 H SER 18 17.278 6.266 0.667 116 HA SER 18 HA SER 18 19.034 4.502 -0.827 117 HB2 SER 18 1HB SER 18 20.843 5.676 0.191 118 HB3 SER 18 2HB SER 18 19.626 6.892 -0.199 119 HG SER 18 HG SER 18 20.494 7.094 1.940 120 H MET 19 H MET 19 17.054 3.295 0.908 121 HA MET 19 HA MET 19 18.878 1.827 2.687 122 HB2 MET 19 1HB MET 19 16.041 2.641 3.345 123 HB3 MET 19 2HB MET 19 17.071 1.627 4.347 124 HG2 MET 19 1HG MET 19 18.608 3.463 4.683 125 HG3 MET 19 2HG MET 19 17.658 4.483 3.605 126 HE1 MET 19 1HE MET 19 15.073 4.967 4.058 127 HE2 MET 19 2HE MET 19 14.646 3.363 4.655 128 HE3 MET 19 3HE MET 19 14.294 4.790 5.631 129 H ASP 20 H ASP 20 17.463 -0.200 3.545 130 HA ASP 20 HA ASP 20 17.041 -1.792 1.209 131 HB2 ASP 20 1HB ASP 20 17.024 -2.256 4.152 132 HB3 ASP 20 2HB ASP 20 16.190 -3.428 3.134 133 HA PRO 21 HA PRO 21 12.712 -1.393 0.612 134 HB2 PRO 21 1HB PRO 21 12.055 -3.894 -0.213 135 HB3 PRO 21 2HB PRO 21 12.958 -2.757 -1.221 136 HG2 PRO 21 1HG PRO 21 13.970 -5.030 0.443 137 HG3 PRO 21 2HG PRO 21 14.445 -4.544 -1.195 138 HD2 PRO 21 1HD PRO 21 15.915 -3.922 0.993 139 HD3 PRO 21 2HD PRO 21 15.829 -2.866 -0.431 140 H SER 22 H SER 22 13.942 -3.755 2.829 141 HA SER 22 HA SER 22 11.471 -4.718 3.829 142 HB2 SER 22 1HB SER 22 14.273 -4.676 4.943 143 HB3 SER 22 2HB SER 22 12.919 -5.342 5.856 144 HG SER 22 HG SER 22 12.690 -6.932 4.388 145 H ASP 23 H ASP 23 13.634 -2.104 4.841 146 HA ASP 23 HA ASP 23 12.141 -1.376 7.142 147 HB2 ASP 23 1HB ASP 23 14.596 -0.777 6.432 148 HB3 ASP 23 2HB ASP 23 13.827 0.600 5.647 149 H MET 24 H MET 24 12.129 -0.283 3.785 150 HA MET 24 HA MET 24 10.566 1.966 3.933 151 HB2 MET 24 1HB MET 24 10.870 -0.178 1.877 152 HB3 MET 24 2HB MET 24 9.606 1.025 1.658 153 HG2 MET 24 1HG MET 24 12.349 1.972 2.279 154 HG3 MET 24 2HG MET 24 12.023 1.345 0.665 155 HE1 MET 24 1HE MET 24 10.758 4.082 -1.195 156 HE2 MET 24 2HE MET 24 11.352 2.428 -1.049 157 HE3 MET 24 3HE MET 24 9.629 2.766 -0.873 158 H MET 25 H MET 25 9.518 -1.407 3.995 159 HA MET 25 HA MET 25 6.770 -1.033 3.795 160 HB2 MET 25 1HB MET 25 8.529 -3.131 4.950 161 HB3 MET 25 2HB MET 25 6.834 -3.159 5.418 162 HG2 MET 25 1HG MET 25 7.460 -2.904 2.533 163 HG3 MET 25 2HG MET 25 7.749 -4.462 3.305 164 HE1 MET 25 1HE MET 25 5.178 -1.612 2.757 165 HE2 MET 25 2HE MET 25 5.228 -2.577 1.282 166 HE3 MET 25 3HE MET 25 3.761 -2.537 2.261 167 H ARG 26 H ARG 26 8.927 -0.495 6.473 168 HA ARG 26 HA ARG 26 6.774 -0.228 8.394 169 HB2 ARG 26 1HB ARG 26 9.226 -1.070 8.791 170 HB3 ARG 26 2HB ARG 26 9.587 0.646 8.928 171 HG2 ARG 26 1HG ARG 26 8.442 0.876 10.887 172 HG3 ARG 26 2HG ARG 26 7.327 -0.442 10.517 173 HD2 ARG 26 1HD ARG 26 10.206 -1.082 10.916 174 HD3 ARG 26 2HD ARG 26 9.226 -0.704 12.332 175 HE ARG 26 HE ARG 26 7.778 -2.564 10.929 176 HH11 ARG 26 1HH1 ARG 26 10.956 -2.414 12.344 177 HH12 ARG 26 2HH1 ARG 26 11.032 -4.114 12.672 178 HH21 ARG 26 1HH2 ARG 26 7.867 -4.803 11.356 179 HH22 ARG 26 2HH2 ARG 26 9.274 -5.472 12.109 180 H GLU 27 H GLU 27 9.288 1.920 7.054 181 HA GLU 27 HA GLU 27 8.405 4.293 8.196 182 HB2 GLU 27 1HB GLU 27 10.552 4.146 7.087 183 HB3 GLU 27 2HB GLU 27 9.774 3.833 5.542 184 HG2 GLU 27 1HG GLU 27 9.059 6.022 5.309 185 HG3 GLU 27 2HG GLU 27 9.208 6.359 7.033 186 H ILE 28 H ILE 28 7.498 2.826 5.095 187 HA ILE 28 HA ILE 28 5.929 4.768 3.992 188 HB ILE 28 HB ILE 28 5.530 1.785 4.031 189 HG12 ILE 28 1HG1 ILE 28 6.287 3.579 1.729 190 HG13 ILE 28 2HG1 ILE 28 7.488 2.922 2.836 191 HG21 ILE 28 1HG2 ILE 28 3.955 2.192 2.102 192 HG22 ILE 28 2HG2 ILE 28 3.338 2.611 3.699 193 HG23 ILE 28 3HG2 ILE 28 3.904 3.879 2.611 194 HD11 ILE 28 1HD1 ILE 28 6.844 1.728 0.567 195 HD12 ILE 28 2HD1 ILE 28 7.294 0.821 2.011 196 HD13 ILE 28 3HD1 ILE 28 5.594 1.020 1.590 197 H ARG 29 H ARG 29 4.888 2.363 6.399 198 HA ARG 29 HA ARG 29 2.250 3.443 6.614 199 HB2 ARG 29 1HB ARG 29 3.821 1.437 8.217 200 HB3 ARG 29 2HB ARG 29 2.224 1.970 8.725 201 HG2 ARG 29 1HG ARG 29 1.208 1.074 6.782 202 HG3 ARG 29 2HG ARG 29 2.772 0.797 6.013 203 HD2 ARG 29 1HD ARG 29 1.936 -0.540 8.577 204 HD3 ARG 29 2HD ARG 29 1.634 -1.238 6.986 205 HE ARG 29 HE ARG 29 4.351 -0.596 7.171 206 HH11 ARG 29 1HH1 ARG 29 2.044 -2.801 8.560 207 HH12 ARG 29 2HH1 ARG 29 3.218 -4.035 8.876 208 HH21 ARG 29 1HH2 ARG 29 5.906 -2.213 7.582 209 HH22 ARG 29 2HH2 ARG 29 5.415 -3.700 8.320 210 H LYS 30 H LYS 30 5.090 3.484 8.764 211 HA LYS 30 HA LYS 30 4.239 4.865 10.906 212 HB2 LYS 30 1HB LYS 30 6.549 4.213 10.703 213 HB3 LYS 30 2HB LYS 30 6.794 5.320 9.359 214 HG2 LYS 30 1HG LYS 30 6.662 7.210 10.762 215 HG3 LYS 30 2HG LYS 30 6.022 6.260 12.105 216 HD2 LYS 30 1HD LYS 30 8.080 5.330 12.598 217 HD3 LYS 30 2HD LYS 30 8.705 5.594 10.969 218 HE2 LYS 30 1HE LYS 30 8.994 7.915 11.363 219 HE3 LYS 30 2HE LYS 30 8.066 7.846 12.860 220 HZ1 LYS 30 1HZ LYS 30 10.672 6.492 12.426 221 HZ2 LYS 30 2HZ LYS 30 9.801 6.555 13.875 222 HZ3 LYS 30 3HZ LYS 30 10.476 7.967 13.232 223 H VAL 31 H VAL 31 5.038 6.318 7.772 224 HA VAL 31 HA VAL 31 4.540 8.995 8.559 225 HB VAL 31 HB VAL 31 4.463 7.774 5.796 226 HG11 VAL 31 1HG1 VAL 31 3.628 9.749 5.180 227 HG12 VAL 31 2HG1 VAL 31 3.922 10.459 6.769 228 HG13 VAL 31 3HG1 VAL 31 5.213 10.419 5.567 229 HG21 VAL 31 1HG2 VAL 31 6.742 8.617 5.583 230 HG22 VAL 31 2HG2 VAL 31 6.688 9.211 7.243 231 HG23 VAL 31 3HG2 VAL 31 6.616 7.478 6.924 232 H LEU 32 H LEU 32 2.613 6.885 6.417 233 HA LEU 32 HA LEU 32 0.387 8.336 6.033 234 HB2 LEU 32 1HB LEU 32 0.383 5.428 6.831 235 HB3 LEU 32 2HB LEU 32 -0.908 6.267 5.972 236 HG LEU 32 HG LEU 32 1.855 6.044 4.818 237 HD11 LEU 32 1HD1 LEU 32 0.552 3.812 5.478 238 HD12 LEU 32 2HD1 LEU 32 1.509 3.959 4.004 239 HD13 LEU 32 3HD1 LEU 32 -0.242 4.152 3.941 240 HD21 LEU 32 1HD2 LEU 32 0.240 7.673 3.875 241 HD22 LEU 32 2HD2 LEU 32 -0.853 6.334 3.524 242 HD23 LEU 32 3HD2 LEU 32 0.721 6.419 2.732 243 H GLY 33 H GLY 33 0.519 6.031 8.760 244 HA2 GLY 33 1HA GLY 33 -1.685 6.676 10.153 245 HA3 GLY 33 2HA GLY 33 -0.162 6.328 10.958 246 H ALA 34 H ALA 34 1.301 8.585 10.187 247 HA ALA 34 HA ALA 34 0.587 10.428 12.152 248 HB1 ALA 34 1HB ALA 34 2.093 11.719 10.078 249 HB2 ALA 34 2HB ALA 34 2.606 11.229 11.694 250 HB3 ALA 34 3HB ALA 34 2.709 10.089 10.352 251 H ASN 35 H ASN 35 0.048 10.541 8.642 252 HA ASN 35 HA ASN 35 -1.433 13.019 8.853 253 HB2 ASN 35 1HB ASN 35 -0.686 11.209 6.566 254 HB3 ASN 35 2HB ASN 35 -1.833 12.528 6.350 255 HD21 ASN 35 1HD2 ASN 35 1.383 11.649 6.311 256 HD22 ASN 35 2HD2 ASN 35 2.089 13.226 6.304 257 H ASN 36 H ASN 36 -2.464 10.731 10.301 258 HA ASN 36 HA ASN 36 -4.364 9.486 10.600 259 HB2 ASN 36 1HB ASN 36 -5.696 11.863 9.295 260 HB3 ASN 36 2HB ASN 36 -6.381 10.779 10.501 261 HD21 ASN 36 1HD2 ASN 36 -6.011 11.146 12.620 262 HD22 ASN 36 2HD2 ASN 36 -5.107 12.487 13.228 263 H CYS 37 H CYS 37 -3.024 8.861 8.173 264 HA CYS 37 HA CYS 37 -5.144 8.502 6.201 265 HB2 CYS 37 1HB CYS 37 -2.162 8.141 6.159 266 HB3 CYS 37 2HB CYS 37 -3.167 7.418 4.909 267 HG CYS 37 HG CYS 37 -2.869 10.757 5.593 268 H ASP 38 H ASP 38 -5.730 6.458 5.375 269 HA ASP 38 HA ASP 38 -5.405 4.296 7.327 270 HB2 ASP 38 1HB ASP 38 -7.688 5.214 6.342 271 HB3 ASP 38 2HB ASP 38 -7.305 4.100 5.032 272 H TYR 39 H TYR 39 -4.147 2.610 6.907 273 HA TYR 39 HA TYR 39 -3.444 2.048 4.101 274 HB2 TYR 39 1HB TYR 39 -1.219 1.294 4.945 275 HB3 TYR 39 2HB TYR 39 -1.511 3.015 5.171 276 HD1 TYR 39 HD1 TYR 39 -1.877 3.932 7.409 277 HD2 TYR 39 HD2 TYR 39 -1.042 -0.201 6.834 278 HE1 TYR 39 HE1 TYR 39 -1.371 3.707 9.805 279 HE2 TYR 39 HE2 TYR 39 -0.534 -0.437 9.229 280 HH TYR 39 HH TYR 39 -0.499 2.361 11.385 281 H GLU 40 H GLU 40 -3.269 -0.098 3.486 282 HA GLU 40 HA GLU 40 -3.875 -2.147 5.489 283 HB2 GLU 40 1HB GLU 40 -5.994 -1.354 4.341 284 HB3 GLU 40 2HB GLU 40 -5.339 -2.025 2.854 285 HG2 GLU 40 1HG GLU 40 -5.231 -4.235 3.926 286 HG3 GLU 40 2HG GLU 40 -5.958 -3.546 5.376 287 H GLN 41 H GLN 41 -2.498 -3.778 5.308 288 HA GLN 41 HA GLN 41 -0.636 -3.948 3.171 289 HB2 GLN 41 1HB GLN 41 -0.352 -4.695 5.619 290 HB3 GLN 41 2HB GLN 41 -1.186 -6.164 5.131 291 HG2 GLN 41 1HG GLN 41 1.209 -6.485 5.087 292 HG3 GLN 41 2HG GLN 41 0.539 -6.593 3.460 293 HE21 GLN 41 1HE2 GLN 41 2.185 -5.951 2.223 294 HE22 GLN 41 2HE2 GLN 41 2.997 -4.433 2.360 295 H ARG 42 H ARG 42 -1.577 -4.329 1.213 296 HA ARG 42 HA ARG 42 -3.501 -6.468 0.889 297 HB2 ARG 42 1HB ARG 42 -2.409 -4.292 -0.820 298 HB3 ARG 42 2HB ARG 42 -3.021 -5.726 -1.633 299 HG2 ARG 42 1HG ARG 42 -4.707 -4.421 0.444 300 HG3 ARG 42 2HG ARG 42 -4.578 -3.681 -1.153 301 HD2 ARG 42 1HD ARG 42 -5.192 -5.931 -2.113 302 HD3 ARG 42 2HD ARG 42 -5.564 -6.441 -0.467 303 HE ARG 42 HE ARG 42 -6.968 -4.094 -0.923 304 HH11 ARG 42 1HH1 ARG 42 -6.863 -7.333 -2.193 305 HH12 ARG 42 2HH1 ARG 42 -8.535 -7.349 -2.646 306 HH21 ARG 42 1HH2 ARG 42 -9.171 -4.102 -1.514 307 HH22 ARG 42 2HH2 ARG 42 -9.847 -5.511 -2.260 308 H GLU 43 H GLU 43 -0.627 -5.736 -1.072 309 HA GLU 43 HA GLU 43 -0.178 -8.591 -1.425 310 HB2 GLU 43 1HB GLU 43 1.427 -6.359 -2.657 311 HB3 GLU 43 2HB GLU 43 1.259 -8.015 -3.223 312 HG2 GLU 43 1HG GLU 43 -1.059 -6.115 -3.105 313 HG3 GLU 43 2HG GLU 43 0.007 -6.227 -4.504 314 H ARG 44 H ARG 44 2.260 -9.205 -1.536 315 HA ARG 44 HA ARG 44 3.296 -9.261 1.012 316 HB2 ARG 44 1HB ARG 44 5.493 -9.829 -0.110 317 HB3 ARG 44 2HB ARG 44 4.118 -10.823 -0.572 318 HG2 ARG 44 1HG ARG 44 3.914 -9.737 -2.662 319 HG3 ARG 44 2HG ARG 44 5.031 -8.457 -2.182 320 HD2 ARG 44 1HD ARG 44 6.884 -9.792 -2.438 321 HD3 ARG 44 2HD ARG 44 5.981 -11.280 -2.156 322 HE ARG 44 HE ARG 44 5.060 -10.156 -4.536 323 HH11 ARG 44 1HH1 ARG 44 7.970 -11.566 -3.248 324 HH12 ARG 44 2HH1 ARG 44 8.517 -12.159 -4.781 325 HH21 ARG 44 1HH2 ARG 44 5.769 -10.933 -6.560 326 HH22 ARG 44 2HH2 ARG 44 7.265 -11.798 -6.665 327 H PHE 45 H PHE 45 3.948 -6.941 -1.568 328 HA PHE 45 HA PHE 45 5.181 -5.177 0.431 329 HB2 PHE 45 1HB PHE 45 6.282 -5.970 -2.249 330 HB3 PHE 45 2HB PHE 45 6.690 -4.410 -1.543 331 HD1 PHE 45 HD1 PHE 45 7.022 -8.045 -1.203 332 HD2 PHE 45 HD2 PHE 45 8.146 -4.246 0.353 333 HE1 PHE 45 HE1 PHE 45 8.795 -9.116 0.123 334 HE2 PHE 45 HE2 PHE 45 9.922 -5.311 1.681 335 HZ PHE 45 HZ PHE 45 10.249 -7.749 1.567 336 H LEU 46 H LEU 46 2.519 -5.097 -0.402 337 HA LEU 46 HA LEU 46 2.474 -2.490 -1.740 338 HB2 LEU 46 1HB LEU 46 1.925 -4.411 -3.316 339 HB3 LEU 46 2HB LEU 46 0.458 -4.630 -2.364 340 HG LEU 46 HG LEU 46 1.012 -1.939 -3.512 341 HD11 LEU 46 1HD1 LEU 46 0.631 -4.385 -5.075 342 HD12 LEU 46 2HD1 LEU 46 1.232 -2.803 -5.567 343 HD13 LEU 46 3HD1 LEU 46 -0.504 -3.090 -5.456 344 HD21 LEU 46 1HD2 LEU 46 -1.169 -1.590 -3.110 345 HD22 LEU 46 2HD2 LEU 46 -1.014 -2.980 -2.036 346 HD23 LEU 46 3HD2 LEU 46 -1.636 -3.195 -3.673 347 H LEU 47 H LEU 47 1.003 -1.065 -0.939 348 HA LEU 47 HA LEU 47 -0.862 -2.051 1.113 349 HB2 LEU 47 1HB LEU 47 1.096 0.203 1.254 350 HB3 LEU 47 2HB LEU 47 -0.399 0.275 2.185 351 HG LEU 47 HG LEU 47 1.325 -2.138 2.458 352 HD11 LEU 47 1HD1 LEU 47 2.856 -0.184 2.580 353 HD12 LEU 47 2HD1 LEU 47 2.735 -1.093 4.086 354 HD13 LEU 47 3HD1 LEU 47 1.882 0.441 3.911 355 HD21 LEU 47 1HD2 LEU 47 0.146 -0.768 4.774 356 HD22 LEU 47 2HD2 LEU 47 0.136 -2.477 4.336 357 HD23 LEU 47 3HD2 LEU 47 -1.013 -1.367 3.587 358 H PHE 48 H PHE 48 -2.572 -0.379 1.634 359 HA PHE 48 HA PHE 48 -3.342 1.067 -0.816 360 HB2 PHE 48 1HB PHE 48 -4.687 -1.025 -0.271 361 HB3 PHE 48 2HB PHE 48 -5.288 -0.157 1.138 362 HD1 PHE 48 HD2 PHE 48 -5.217 -0.208 -2.545 363 HD2 PHE 48 HD1 PHE 48 -6.965 1.503 0.939 364 HE1 PHE 48 HE2 PHE 48 -6.970 0.818 -3.933 365 HE2 PHE 48 HE1 PHE 48 -8.722 2.530 -0.444 366 HZ PHE 48 HZ PHE 48 -8.726 2.189 -2.883 367 H CYS 49 H CYS 49 -2.873 3.136 -0.329 368 HA CYS 49 HA CYS 49 -3.338 4.216 2.305 369 HB2 CYS 49 1HB CYS 49 -2.496 5.598 -0.252 370 HB3 CYS 49 2HB CYS 49 -2.474 6.314 1.356 371 HG CYS 49 HG CYS 49 -0.456 3.845 0.142 372 H VAL 50 H VAL 50 -4.763 5.932 2.806 373 HA VAL 50 HA VAL 50 -6.775 6.715 0.877 374 HB VAL 50 HB VAL 50 -7.527 5.140 3.342 375 HG11 VAL 50 1HG1 VAL 50 -8.962 7.191 1.912 376 HG12 VAL 50 2HG1 VAL 50 -9.810 5.646 1.821 377 HG13 VAL 50 3HG1 VAL 50 -9.400 6.338 3.391 378 HG21 VAL 50 1HG2 VAL 50 -8.720 3.741 1.594 379 HG22 VAL 50 2HG2 VAL 50 -7.770 4.612 0.390 380 HG23 VAL 50 3HG2 VAL 50 -6.960 3.634 1.615 381 H HIS 51 H HIS 51 -7.282 8.779 1.203 382 HA HIS 51 HA HIS 51 -7.429 9.873 3.885 383 HB2 HIS 51 1HB HIS 51 -5.009 10.065 2.946 384 HB3 HIS 51 2HB HIS 51 -5.683 11.331 1.924 385 HD1 HIS 51 HD1 HIS 51 -5.602 13.598 2.901 386 HD2 HIS 51 HD2 HIS 51 -5.554 10.651 5.830 387 HE1 HIS 51 HE1 HIS 51 -5.332 14.821 5.082 388 HE2 HIS 51 HE2 HIS 51 -5.221 13.013 6.831 389 H GLY 52 H GLY 52 -8.606 11.814 4.014 390 HA2 GLY 52 1HA GLY 52 -10.086 12.458 1.540 391 HA3 GLY 52 2HA GLY 52 -10.772 12.556 3.155 392 H ASP 53 H ASP 53 -8.783 13.895 4.516 393 HA ASP 53 HA ASP 53 -8.311 16.067 5.062 394 HB2 ASP 53 1HB ASP 53 -6.498 15.352 3.413 395 HB3 ASP 53 2HB ASP 53 -7.371 16.290 2.205 396 H GLY 54 H GLY 54 -10.963 15.869 4.492 397 HA2 GLY 54 1HA GLY 54 -11.920 18.363 4.224 398 HA3 GLY 54 2HA GLY 54 -11.698 17.893 2.546 399 H HIS 55 H HIS 55 -13.518 17.243 1.634 400 HA HIS 55 HA HIS 55 -15.676 16.197 3.282 401 HB2 HIS 55 1HB HIS 55 -15.514 17.052 0.393 402 HB3 HIS 55 2HB HIS 55 -16.946 16.287 1.076 403 HD1 HIS 55 HD1 HIS 55 -18.416 18.363 0.792 404 HD2 HIS 55 HD2 HIS 55 -15.033 19.023 3.112 405 HE1 HIS 55 HE1 HIS 55 -18.766 20.609 1.867 406 HE2 HIS 55 HE2 HIS 55 -16.669 21.025 3.199 407 H ALA 56 H ALA 56 -16.990 14.363 2.244 408 HA ALA 56 HA ALA 56 -15.221 12.107 1.961 409 HB1 ALA 56 1HB ALA 56 -17.311 10.784 1.916 410 HB2 ALA 56 2HB ALA 56 -17.198 11.856 3.313 411 HB3 ALA 56 3HB ALA 56 -18.230 12.290 1.950 412 H GLU 57 H GLU 57 -17.609 13.762 -0.075 413 HA GLU 57 HA GLU 57 -17.516 12.064 -2.282 414 HB2 GLU 57 1HB GLU 57 -17.966 15.051 -2.180 415 HB3 GLU 57 2HB GLU 57 -18.273 14.047 -3.591 416 HG2 GLU 57 1HG GLU 57 -19.988 12.840 -2.435 417 HG3 GLU 57 2HG GLU 57 -19.607 13.662 -0.923 418 H ASN 58 H ASN 58 -15.096 14.062 -1.022 419 HA ASN 58 HA ASN 58 -13.609 13.983 -3.565 420 HB2 ASN 58 1HB ASN 58 -13.380 15.904 -1.240 421 HB3 ASN 58 2HB ASN 58 -12.246 15.853 -2.587 422 HD21 ASN 58 1HD2 ASN 58 -15.772 15.848 -2.154 423 HD22 ASN 58 2HD2 ASN 58 -16.087 17.069 -3.335 424 H LEU 59 H LEU 59 -13.791 11.784 -1.729 425 HA LEU 59 HA LEU 59 -11.442 11.670 -0.112 426 HB2 LEU 59 1HB LEU 59 -13.549 10.330 0.212 427 HB3 LEU 59 2HB LEU 59 -13.044 9.348 -1.162 428 HG LEU 59 HG LEU 59 -12.494 8.173 0.841 429 HD11 LEU 59 1HD1 LEU 59 -9.846 9.317 0.088 430 HD12 LEU 59 2HD1 LEU 59 -10.792 8.448 -1.120 431 HD13 LEU 59 3HD1 LEU 59 -10.310 7.639 0.371 432 HD21 LEU 59 1HD2 LEU 59 -11.065 9.106 2.574 433 HD22 LEU 59 2HD2 LEU 59 -12.519 10.084 2.374 434 HD23 LEU 59 3HD2 LEU 59 -10.984 10.638 1.703 435 H VAL 60 H VAL 60 -9.422 11.311 -0.731 436 HA VAL 60 HA VAL 60 -8.898 10.457 -3.469 437 HB VAL 60 HB VAL 60 -7.116 11.596 -1.321 438 HG11 VAL 60 1HG1 VAL 60 -5.531 11.636 -3.476 439 HG12 VAL 60 2HG1 VAL 60 -5.522 10.318 -2.302 440 HG13 VAL 60 3HG1 VAL 60 -6.426 10.153 -3.808 441 HG21 VAL 60 1HG2 VAL 60 -8.707 13.054 -2.677 442 HG22 VAL 60 2HG2 VAL 60 -7.009 13.527 -2.659 443 HG23 VAL 60 3HG2 VAL 60 -7.677 12.693 -4.062 444 H GLN 61 H GLN 61 -7.771 8.631 -4.031 445 HA GLN 61 HA GLN 61 -6.968 6.809 -1.873 446 HB2 GLN 61 1HB GLN 61 -8.742 6.168 -4.224 447 HB3 GLN 61 2HB GLN 61 -7.891 4.925 -3.317 448 HG2 GLN 61 1HG GLN 61 -9.039 5.952 -1.255 449 HG3 GLN 61 2HG GLN 61 -10.112 6.716 -2.427 450 HE21 GLN 61 1HE2 GLN 61 -10.686 4.710 -0.387 451 HE22 GLN 61 2HE2 GLN 61 -11.365 3.359 -1.224 452 H TRP 62 H TRP 62 -5.228 5.480 -2.321 453 HA TRP 62 HA TRP 62 -4.108 5.172 -4.912 454 HB2 TRP 62 1HB TRP 62 -2.179 6.550 -4.781 455 HB3 TRP 62 2HB TRP 62 -3.537 7.584 -4.345 456 HD1 TRP 62 HD1 TRP 62 -0.258 6.308 -3.051 457 HE1 TRP 62 HE1 TRP 62 0.167 7.241 -0.690 458 HE3 TRP 62 HE3 TRP 62 -4.890 8.253 -2.100 459 HZ2 TRP 62 HZ2 TRP 62 -1.271 8.617 1.311 460 HZ3 TRP 62 HZ3 TRP 62 -5.282 9.361 0.061 461 HH2 TRP 62 HH2 TRP 62 -3.509 9.538 1.731 462 H GLU 63 H GLU 63 -2.463 3.648 -4.954 463 HA GLU 63 HA GLU 63 -2.127 2.166 -2.462 464 HB2 GLU 63 1HB GLU 63 -1.215 1.369 -5.227 465 HB3 GLU 63 2HB GLU 63 -1.387 0.330 -3.819 466 HG2 GLU 63 1HG GLU 63 -3.854 0.889 -3.878 467 HG3 GLU 63 2HG GLU 63 -3.554 1.595 -5.465 468 H MET 64 H MET 64 0.144 0.999 -2.392 469 HA MET 64 HA MET 64 2.356 2.639 -3.239 470 HB2 MET 64 1HB MET 64 1.480 2.544 -0.365 471 HB3 MET 64 2HB MET 64 3.164 2.816 -0.790 472 HG2 MET 64 1HG MET 64 2.385 4.745 -2.198 473 HG3 MET 64 2HG MET 64 0.794 4.530 -1.470 474 HE1 MET 64 1HE MET 64 4.433 6.566 0.295 475 HE2 MET 64 2HE MET 64 4.661 4.946 -0.362 476 HE3 MET 64 3HE MET 64 4.034 6.235 -1.391 477 H GLU 65 H GLU 65 3.881 1.251 -3.821 478 HA GLU 65 HA GLU 65 4.365 -1.119 -2.165 479 HB2 GLU 65 1HB GLU 65 3.134 -2.166 -3.826 480 HB3 GLU 65 2HB GLU 65 3.683 -1.059 -5.076 481 HG2 GLU 65 1HG GLU 65 5.690 -2.841 -3.814 482 HG3 GLU 65 2HG GLU 65 4.535 -3.550 -4.941 483 H VAL 66 H VAL 66 6.486 -1.937 -2.257 484 HA VAL 66 HA VAL 66 8.449 0.035 -3.168 485 HB VAL 66 HB VAL 66 8.797 -2.340 -1.331 486 HG11 VAL 66 1HG1 VAL 66 10.903 -0.640 -0.897 487 HG12 VAL 66 2HG1 VAL 66 10.959 -2.116 -1.863 488 HG13 VAL 66 3HG1 VAL 66 10.698 -0.557 -2.647 489 HG21 VAL 66 1HG2 VAL 66 7.632 0.150 -0.834 490 HG22 VAL 66 2HG2 VAL 66 8.162 -1.037 0.357 491 HG23 VAL 66 3HG2 VAL 66 9.256 0.249 -0.154 492 H CYS 67 H CYS 67 9.630 -0.295 -4.928 493 HA CYS 67 HA CYS 67 9.966 -3.055 -5.901 494 HB2 CYS 67 1HB CYS 67 8.399 -1.357 -7.193 495 HB3 CYS 67 2HB CYS 67 9.933 -0.772 -7.826 496 HG CYS 67 HG CYS 67 8.309 -2.824 -9.348 497 H LYS 68 H LYS 68 11.920 -3.525 -6.994 498 HA LYS 68 HA LYS 68 14.133 -1.811 -6.145 499 HB2 LYS 68 1HB LYS 68 13.833 -4.696 -6.812 500 HB3 LYS 68 2HB LYS 68 15.396 -3.952 -7.124 501 HG2 LYS 68 1HG LYS 68 15.357 -3.151 -4.733 502 HG3 LYS 68 2HG LYS 68 13.959 -4.202 -4.497 503 HD2 LYS 68 1HD LYS 68 15.650 -5.614 -3.859 504 HD3 LYS 68 2HD LYS 68 15.546 -6.002 -5.578 505 HE2 LYS 68 1HE LYS 68 17.425 -4.616 -6.077 506 HE3 LYS 68 2HE LYS 68 17.441 -3.953 -4.443 507 HZ1 LYS 68 1HZ LYS 68 17.831 -6.840 -4.949 508 HZ2 LYS 68 2HZ LYS 68 18.228 -5.951 -3.566 509 HZ3 LYS 68 3HZ LYS 68 19.125 -5.751 -4.986 510 H LEU 69 H LEU 69 14.026 -0.185 -7.709 511 HA LEU 69 HA LEU 69 13.669 -0.277 -10.379 512 HB2 LEU 69 1HB LEU 69 15.820 1.272 -8.945 513 HB3 LEU 69 2HB LEU 69 15.263 1.599 -10.585 514 HG LEU 69 HG LEU 69 13.250 1.638 -8.397 515 HD11 LEU 69 1HD1 LEU 69 14.589 3.022 -7.210 516 HD12 LEU 69 2HD1 LEU 69 13.975 4.209 -8.361 517 HD13 LEU 69 3HD1 LEU 69 15.557 3.474 -8.614 518 HD21 LEU 69 1HD2 LEU 69 13.666 3.448 -10.769 519 HD22 LEU 69 2HD2 LEU 69 12.218 3.289 -9.775 520 HD23 LEU 69 3HD2 LEU 69 12.720 1.960 -10.822 521 HA PRO 70 HA PRO 70 16.730 -3.001 -12.031 522 HB2 PRO 70 1HB PRO 70 16.472 -2.299 -14.641 523 HB3 PRO 70 2HB PRO 70 15.284 -3.295 -13.792 524 HG2 PRO 70 1HG PRO 70 15.213 -0.364 -14.394 525 HG3 PRO 70 2HG PRO 70 13.914 -1.564 -14.522 526 HD2 PRO 70 1HD PRO 70 14.125 0.138 -12.426 527 HD3 PRO 70 2HD PRO 70 13.464 -1.501 -12.262 528 H ARG 71 H ARG 71 16.706 0.284 -13.435 529 HA ARG 71 HA ARG 71 19.524 0.208 -13.973 530 HB2 ARG 71 1HB ARG 71 17.483 2.429 -14.125 531 HB3 ARG 71 2HB ARG 71 19.171 2.628 -14.577 532 HG2 ARG 71 1HG ARG 71 18.655 0.547 -16.107 533 HG3 ARG 71 2HG ARG 71 17.000 1.139 -15.949 534 HD2 ARG 71 1HD ARG 71 17.527 3.203 -16.935 535 HD3 ARG 71 2HD ARG 71 19.260 2.955 -16.723 536 HE ARG 71 HE ARG 71 18.011 1.016 -18.440 537 HH11 ARG 71 1HH1 ARG 71 19.500 4.158 -18.268 538 HH12 ARG 71 2HH1 ARG 71 19.958 4.176 -19.939 539 HH21 ARG 71 1HH2 ARG 71 18.609 1.028 -20.641 540 HH22 ARG 71 2HH2 ARG 71 19.450 2.395 -21.288 541 H LEU 72 H LEU 72 17.518 2.260 -11.849 542 HA LEU 72 HA LEU 72 19.745 3.342 -10.459 543 HB2 LEU 72 1HB LEU 72 16.797 3.404 -10.170 544 HB3 LEU 72 2HB LEU 72 17.753 3.797 -8.743 545 HG LEU 72 HG LEU 72 18.315 5.206 -11.316 546 HD11 LEU 72 1HD1 LEU 72 16.567 6.821 -9.835 547 HD12 LEU 72 2HD1 LEU 72 15.785 5.247 -9.969 548 HD13 LEU 72 3HD1 LEU 72 16.293 6.106 -11.423 549 HD21 LEU 72 1HD2 LEU 72 19.474 5.311 -8.880 550 HD22 LEU 72 2HD2 LEU 72 18.261 6.580 -8.712 551 HD23 LEU 72 3HD2 LEU 72 19.445 6.659 -10.017 552 H SER 73 H SER 73 20.514 2.905 -8.389 553 HA SER 73 HA SER 73 20.059 0.156 -7.501 554 HB2 SER 73 1HB SER 73 22.232 2.166 -6.892 555 HB3 SER 73 2HB SER 73 22.099 0.615 -6.062 556 HG SER 73 HG SER 73 23.477 0.354 -7.791 557 H LEU 74 H LEU 74 17.901 1.616 -6.910 558 HA LEU 74 HA LEU 74 18.015 1.753 -3.999 559 HB2 LEU 74 1HB LEU 74 16.786 3.961 -5.638 560 HB3 LEU 74 2HB LEU 74 16.893 3.876 -3.881 561 HG LEU 74 HG LEU 74 19.417 3.885 -5.464 562 HD11 LEU 74 1HD1 LEU 74 17.669 5.740 -6.177 563 HD12 LEU 74 2HD1 LEU 74 19.385 6.099 -5.988 564 HD13 LEU 74 3HD1 LEU 74 18.252 6.505 -4.698 565 HD21 LEU 74 1HD2 LEU 74 20.260 4.076 -3.423 566 HD22 LEU 74 2HD2 LEU 74 18.634 4.082 -2.740 567 HD23 LEU 74 3HD2 LEU 74 19.400 5.601 -3.208 568 H ASN 75 H ASN 75 15.607 2.341 -3.243 569 HA ASN 75 HA ASN 75 13.835 0.545 -4.764 570 HB2 ASN 75 1HB ASN 75 12.667 0.373 -2.434 571 HB3 ASN 75 2HB ASN 75 14.133 -0.555 -2.739 572 HD21 ASN 75 1HD2 ASN 75 14.241 -0.579 -0.388 573 HD22 ASN 75 2HD2 ASN 75 14.982 0.752 0.428 574 H GLY 76 H GLY 76 12.638 1.910 -5.987 575 HA2 GLY 76 1HA GLY 76 11.713 4.447 -5.031 576 HA3 GLY 76 2HA GLY 76 11.254 3.672 -6.540 577 H VAL 77 H VAL 77 9.225 4.867 -5.576 578 HA VAL 77 HA VAL 77 7.670 2.829 -4.121 579 HB VAL 77 HB VAL 77 7.550 5.828 -3.826 580 HG11 VAL 77 1HG1 VAL 77 5.652 3.806 -2.642 581 HG12 VAL 77 2HG1 VAL 77 5.607 5.557 -2.428 582 HG13 VAL 77 3HG1 VAL 77 5.278 4.852 -4.012 583 HG21 VAL 77 1HG2 VAL 77 9.228 4.836 -2.443 584 HG22 VAL 77 2HG2 VAL 77 7.854 5.242 -1.414 585 HG23 VAL 77 3HG2 VAL 77 8.120 3.571 -1.912 586 H ARG 78 H ARG 78 5.835 2.182 -5.064 587 HA ARG 78 HA ARG 78 5.118 3.336 -7.627 588 HB2 ARG 78 1HB ARG 78 5.173 0.954 -7.576 589 HB3 ARG 78 2HB ARG 78 4.183 0.895 -6.124 590 HG2 ARG 78 1HG ARG 78 2.766 0.267 -7.883 591 HG3 ARG 78 2HG ARG 78 2.337 1.937 -7.509 592 HD2 ARG 78 1HD ARG 78 4.165 2.422 -9.369 593 HD3 ARG 78 2HD ARG 78 3.696 0.806 -9.895 594 HE ARG 78 HE ARG 78 1.355 2.237 -9.496 595 HH11 ARG 78 1HH1 ARG 78 4.162 2.390 -11.550 596 HH12 ARG 78 2HH1 ARG 78 3.318 3.136 -12.867 597 HH21 ARG 78 1HH2 ARG 78 0.234 3.219 -11.223 598 HH22 ARG 78 2HH2 ARG 78 1.084 3.608 -12.680 599 H PHE 79 H PHE 79 3.316 4.489 -8.072 600 HA PHE 79 HA PHE 79 1.374 4.895 -5.900 601 HB2 PHE 79 1HB PHE 79 2.729 6.971 -7.612 602 HB3 PHE 79 2HB PHE 79 1.200 7.294 -6.801 603 HD1 PHE 79 HD2 PHE 79 4.745 6.420 -6.253 604 HD2 PHE 79 HD1 PHE 79 1.120 7.803 -4.503 605 HE1 PHE 79 HE2 PHE 79 5.966 7.013 -4.201 606 HE2 PHE 79 HE1 PHE 79 2.335 8.399 -2.448 607 HZ PHE 79 HZ PHE 79 4.761 8.003 -2.295 608 H LYS 80 H LYS 80 -0.436 3.966 -6.602 609 HA LYS 80 HA LYS 80 -1.165 4.196 -9.433 610 HB2 LYS 80 1HB LYS 80 -1.106 1.955 -8.168 611 HB3 LYS 80 2HB LYS 80 -2.581 2.505 -7.385 612 HG2 LYS 80 1HG LYS 80 -3.713 2.642 -9.507 613 HG3 LYS 80 2HG LYS 80 -2.223 2.238 -10.362 614 HD2 LYS 80 1HD LYS 80 -2.225 0.031 -9.525 615 HD3 LYS 80 2HD LYS 80 -3.445 0.412 -8.308 616 HE2 LYS 80 1HE LYS 80 -4.499 -0.829 -10.062 617 HE3 LYS 80 2HE LYS 80 -5.058 0.840 -10.157 618 HZ1 LYS 80 1HZ LYS 80 -4.573 0.345 -12.337 619 HZ2 LYS 80 2HZ LYS 80 -3.226 -0.603 -11.953 620 HZ3 LYS 80 3HZ LYS 80 -3.135 1.082 -11.839 621 H ARG 81 H ARG 81 -2.251 6.033 -9.802 622 HA ARG 81 HA ARG 81 -3.838 7.398 -7.922 623 HB2 ARG 81 1HB ARG 81 -2.787 8.228 -10.146 624 HB3 ARG 81 2HB ARG 81 -4.267 7.631 -10.884 625 HG2 ARG 81 1HG ARG 81 -5.572 9.096 -9.397 626 HG3 ARG 81 2HG ARG 81 -4.064 9.729 -8.736 627 HD2 ARG 81 1HD ARG 81 -5.053 9.949 -11.574 628 HD3 ARG 81 2HD ARG 81 -4.869 11.255 -10.403 629 HE ARG 81 HE ARG 81 -2.370 10.138 -10.669 630 HH11 ARG 81 1HH1 ARG 81 -4.694 11.650 -12.774 631 HH12 ARG 81 2HH1 ARG 81 -3.497 12.282 -13.856 632 HH21 ARG 81 1HH2 ARG 81 -0.785 10.966 -12.085 633 HH22 ARG 81 2HH2 ARG 81 -1.274 11.892 -13.463 634 H ILE 82 H ILE 82 -5.430 6.209 -6.977 635 HA ILE 82 HA ILE 82 -7.171 4.480 -8.434 636 HB ILE 82 HB ILE 82 -7.144 5.518 -5.622 637 HG12 ILE 82 1HG1 ILE 82 -5.679 3.650 -6.138 638 HG13 ILE 82 2HG1 ILE 82 -7.002 3.092 -5.118 639 HG21 ILE 82 1HG2 ILE 82 -9.376 4.001 -6.956 640 HG22 ILE 82 2HG2 ILE 82 -9.165 4.096 -5.208 641 HG23 ILE 82 3HG2 ILE 82 -9.468 5.561 -6.141 642 HD11 ILE 82 1HD1 ILE 82 -6.775 1.432 -6.725 643 HD12 ILE 82 2HD1 ILE 82 -8.131 2.398 -7.308 644 HD13 ILE 82 3HD1 ILE 82 -6.535 2.594 -8.030 645 H SER 83 H SER 83 -7.688 7.618 -6.820 646 HA SER 83 HA SER 83 -10.318 8.051 -7.483 647 HB2 SER 83 1HB SER 83 -9.283 9.614 -6.033 648 HB3 SER 83 2HB SER 83 -8.018 9.984 -7.206 649 HG SER 83 HG SER 83 -10.736 10.746 -7.234 650 H GLY 84 H GLY 84 -10.894 10.047 -9.044 651 HA2 GLY 84 1HA GLY 84 -9.929 9.216 -11.708 652 HA3 GLY 84 2HA GLY 84 -11.543 9.830 -11.382 653 H THR 85 H THR 85 -9.876 11.764 -9.505 654 HA THR 85 HA THR 85 -9.464 13.754 -11.632 655 HB THR 85 HB THR 85 -11.142 14.137 -9.688 656 HG1 THR 85 HG1 THR 85 -10.356 16.421 -9.628 657 HG21 THR 85 1HG2 THR 85 -9.658 13.511 -7.860 658 HG22 THR 85 2HG2 THR 85 -10.129 15.204 -7.712 659 HG23 THR 85 3HG2 THR 85 -8.528 14.784 -8.320 660 H SER 86 H SER 86 -7.787 15.453 -11.074 661 HA SER 86 HA SER 86 -5.358 14.074 -10.179 662 HB2 SER 86 1HB SER 86 -4.256 16.136 -11.295 663 HB3 SER 86 2HB SER 86 -4.992 14.918 -12.337 664 HG SER 86 HG SER 86 -6.145 16.495 -13.088 665 H ILE 87 H ILE 87 -6.755 17.353 -10.002 666 HA ILE 87 HA ILE 87 -5.202 18.560 -8.171 667 HB ILE 87 HB ILE 87 -8.210 18.607 -8.322 668 HG12 ILE 87 1HG1 ILE 87 -7.476 21.021 -9.127 669 HG13 ILE 87 2HG1 ILE 87 -5.958 20.199 -9.472 670 HG21 ILE 87 1HG2 ILE 87 -8.136 20.630 -6.934 671 HG22 ILE 87 2HG2 ILE 87 -7.578 19.207 -6.057 672 HG23 ILE 87 3HG2 ILE 87 -6.411 20.377 -6.673 673 HD11 ILE 87 1HD1 ILE 87 -8.218 18.710 -10.474 674 HD12 ILE 87 2HD1 ILE 87 -8.177 20.353 -11.114 675 HD13 ILE 87 3HD1 ILE 87 -6.782 19.293 -11.316 676 H ALA 88 H ALA 88 -7.793 16.262 -7.383 677 HA ALA 88 HA ALA 88 -7.472 16.384 -4.581 678 HB1 ALA 88 1HB ALA 88 -8.530 14.056 -6.176 679 HB2 ALA 88 2HB ALA 88 -8.864 14.438 -4.486 680 HB3 ALA 88 3HB ALA 88 -9.473 15.489 -5.765 681 H PHE 89 H PHE 89 -6.121 14.219 -7.042 682 HA PHE 89 HA PHE 89 -4.797 12.468 -5.292 683 HB2 PHE 89 1HB PHE 89 -5.191 12.025 -7.707 684 HB3 PHE 89 2HB PHE 89 -3.973 13.234 -8.099 685 HD1 PHE 89 HD1 PHE 89 -4.096 10.454 -5.614 686 HD2 PHE 89 HD2 PHE 89 -2.096 12.216 -8.933 687 HE1 PHE 89 HE1 PHE 89 -2.346 8.731 -5.470 688 HE2 PHE 89 HE2 PHE 89 -0.343 10.495 -8.794 689 HZ PHE 89 HZ PHE 89 -0.467 8.749 -7.062 690 H LYS 90 H LYS 90 -3.151 14.822 -7.392 691 HA LYS 90 HA LYS 90 -0.711 14.877 -6.206 692 HB2 LYS 90 1HB LYS 90 -1.757 16.270 -8.202 693 HB3 LYS 90 2HB LYS 90 -1.882 17.516 -6.967 694 HG2 LYS 90 1HG LYS 90 0.721 16.127 -7.271 695 HG3 LYS 90 2HG LYS 90 0.243 17.283 -8.517 696 HD2 LYS 90 1HD LYS 90 0.138 17.973 -5.595 697 HD3 LYS 90 2HD LYS 90 1.616 18.161 -6.541 698 HE2 LYS 90 1HE LYS 90 -0.979 19.346 -7.463 699 HE3 LYS 90 2HE LYS 90 0.039 20.185 -6.294 700 HZ1 LYS 90 1HZ LYS 90 1.021 19.250 -8.931 701 HZ2 LYS 90 2HZ LYS 90 1.804 20.289 -7.850 702 HZ3 LYS 90 3HZ LYS 90 0.415 20.807 -8.665 703 H ASN 91 H ASN 91 -3.660 16.153 -4.921 704 HA ASN 91 HA ASN 91 -2.727 18.022 -3.090 705 HB2 ASN 91 1HB ASN 91 -5.165 17.189 -3.712 706 HB3 ASN 91 2HB ASN 91 -4.942 16.188 -2.280 707 HD21 ASN 91 1HD2 ASN 91 -5.892 19.171 -3.429 708 HD22 ASN 91 2HD2 ASN 91 -5.916 20.036 -1.933 709 H ILE 92 H ILE 92 -3.659 14.685 -2.239 710 HA ILE 92 HA ILE 92 -2.043 14.792 0.149 711 HB ILE 92 HB ILE 92 -4.182 13.626 0.213 712 HG12 ILE 92 1HG1 ILE 92 -3.372 11.446 1.155 713 HG13 ILE 92 2HG1 ILE 92 -1.770 11.828 0.534 714 HG21 ILE 92 1HG2 ILE 92 -3.425 12.652 -2.279 715 HG22 ILE 92 2HG2 ILE 92 -3.423 11.240 -1.224 716 HG23 ILE 92 3HG2 ILE 92 -4.876 12.228 -1.372 717 HD11 ILE 92 1HD1 ILE 92 -1.897 12.356 2.877 718 HD12 ILE 92 2HD1 ILE 92 -1.741 13.844 1.943 719 HD13 ILE 92 3HD1 ILE 92 -3.308 13.377 2.604 720 H ALA 93 H ALA 93 -1.841 13.375 -3.045 721 HA ALA 93 HA ALA 93 0.168 11.495 -2.658 722 HB1 ALA 93 1HB ALA 93 0.130 13.161 -5.136 723 HB2 ALA 93 2HB ALA 93 0.389 11.426 -4.952 724 HB3 ALA 93 3HB ALA 93 -1.230 12.100 -4.770 725 H SER 94 H SER 94 0.352 14.975 -2.864 726 HA SER 94 HA SER 94 3.223 15.022 -3.148 727 HB2 SER 94 1HB SER 94 1.679 16.797 -4.067 728 HB3 SER 94 2HB SER 94 1.407 17.323 -2.406 729 HG SER 94 HG SER 94 3.601 17.796 -2.238 730 H LYS 95 H LYS 95 0.979 14.798 -0.584 731 HA LYS 95 HA LYS 95 2.634 15.969 1.448 732 HB2 LYS 95 1HB LYS 95 0.207 14.176 1.652 733 HB3 LYS 95 2HB LYS 95 0.976 14.981 3.014 734 HG2 LYS 95 1HG LYS 95 0.004 16.573 0.680 735 HG3 LYS 95 2HG LYS 95 -1.120 16.033 1.929 736 HD2 LYS 95 1HD LYS 95 0.165 17.174 3.631 737 HD3 LYS 95 2HD LYS 95 1.390 17.628 2.443 738 HE2 LYS 95 1HE LYS 95 0.044 19.541 2.742 739 HE3 LYS 95 2HE LYS 95 -0.458 18.838 1.205 740 HZ1 LYS 95 1HZ LYS 95 -2.107 17.634 2.961 741 HZ2 LYS 95 2HZ LYS 95 -2.501 19.008 2.057 742 HZ3 LYS 95 3HZ LYS 95 -1.950 19.172 3.648 743 H ILE 96 H ILE 96 2.177 12.790 0.087 744 HA ILE 96 HA ILE 96 3.544 11.391 2.184 745 HB ILE 96 HB ILE 96 2.927 10.498 -0.635 746 HG12 ILE 96 1HG1 ILE 96 0.824 10.771 0.282 747 HG13 ILE 96 2HG1 ILE 96 1.183 9.124 0.786 748 HG21 ILE 96 1HG2 ILE 96 3.451 8.694 1.697 749 HG22 ILE 96 2HG2 ILE 96 3.517 8.333 -0.027 750 HG23 ILE 96 3HG2 ILE 96 4.777 9.318 0.715 751 HD11 ILE 96 1HD1 ILE 96 1.235 11.632 2.420 752 HD12 ILE 96 2HD1 ILE 96 0.298 10.160 2.678 753 HD13 ILE 96 3HD1 ILE 96 2.041 10.155 2.948 754 H ALA 97 H ALA 97 4.407 11.804 -1.255 755 HA ALA 97 HA ALA 97 6.964 10.960 -1.280 756 HB1 ALA 97 1HB ALA 97 5.429 12.339 -3.032 757 HB2 ALA 97 2HB ALA 97 6.658 13.544 -2.646 758 HB3 ALA 97 3HB ALA 97 7.136 11.970 -3.282 759 H ASN 98 H ASN 98 6.046 14.315 -0.477 760 HA ASN 98 HA ASN 98 8.588 15.234 0.186 761 HB2 ASN 98 1HB ASN 98 6.711 16.753 -0.118 762 HB3 ASN 98 2HB ASN 98 5.904 16.082 1.297 763 HD21 ASN 98 1HD2 ASN 98 6.101 17.221 3.073 764 HD22 ASN 98 2HD2 ASN 98 7.395 18.299 3.458 765 H GLU 99 H GLU 99 6.078 14.638 2.637 766 HA GLU 99 HA GLU 99 7.511 14.591 4.894 767 HB2 GLU 99 1HB GLU 99 5.301 12.730 4.052 768 HB3 GLU 99 2HB GLU 99 5.994 12.664 5.666 769 HG2 GLU 99 1HG GLU 99 4.914 15.215 4.527 770 HG3 GLU 99 2HG GLU 99 3.871 14.038 5.323 771 H LEU 100 H LEU 100 7.111 11.688 2.861 772 HA LEU 100 HA LEU 100 8.539 9.814 4.118 773 HB2 LEU 100 1HB LEU 100 8.389 10.565 1.246 774 HB3 LEU 100 2HB LEU 100 9.562 9.339 1.722 775 HG LEU 100 HG LEU 100 6.590 9.175 2.220 776 HD11 LEU 100 1HD1 LEU 100 7.887 7.287 0.384 777 HD12 LEU 100 2HD1 LEU 100 7.784 8.948 -0.200 778 HD13 LEU 100 3HD1 LEU 100 6.319 8.088 0.276 779 HD21 LEU 100 1HD2 LEU 100 8.787 7.789 3.361 780 HD22 LEU 100 2HD2 LEU 100 7.930 6.673 2.299 781 HD23 LEU 100 3HD2 LEU 100 7.063 7.500 3.593 782 H LYS 101 H LYS 101 10.268 10.197 5.371 783 HA LYS 101 HA LYS 101 12.417 11.922 4.482 784 HB2 LYS 101 1HB LYS 101 12.234 10.233 6.983 785 HB3 LYS 101 2HB LYS 101 13.385 11.527 6.678 786 HG2 LYS 101 1HG LYS 101 10.427 12.018 6.693 787 HG3 LYS 101 2HG LYS 101 11.389 12.044 8.173 788 HD2 LYS 101 1HD LYS 101 12.199 13.669 5.788 789 HD3 LYS 101 2HD LYS 101 10.971 14.263 6.909 790 HE2 LYS 101 1HE LYS 101 12.467 14.441 8.659 791 HE3 LYS 101 2HE LYS 101 13.572 13.252 7.972 792 HZ1 LYS 101 1HZ LYS 101 14.355 14.808 6.408 793 HZ2 LYS 101 2HZ LYS 101 14.326 15.629 7.886 794 HZ3 LYS 101 3HZ LYS 101 13.113 15.907 6.741 795 H LEU 102 H LEU 102 12.644 10.320 2.584 796 HA LEU 102 HA LEU 102 14.508 8.168 3.338 797 HB2 LEU 102 1HB LEU 102 12.927 8.431 0.787 798 HB3 LEU 102 2HB LEU 102 13.925 7.063 1.274 799 HG LEU 102 HG LEU 102 11.538 7.884 2.894 800 HD11 LEU 102 1HD1 LEU 102 11.604 6.411 0.302 801 HD12 LEU 102 2HD1 LEU 102 10.426 7.575 0.908 802 HD13 LEU 102 3HD1 LEU 102 10.449 5.931 1.546 803 HD21 LEU 102 1HD2 LEU 102 11.648 5.708 3.760 804 HD22 LEU 102 2HD2 LEU 102 13.325 6.249 3.691 805 HD23 LEU 102 3HD2 LEU 102 12.702 5.150 2.460 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 5.228 9.496 -25.479 2 HA2 GLY 1 1HA GLY 1 5.413 7.930 -22.982 3 HA3 GLY 1 2HA GLY 1 4.050 8.951 -23.416 4 H SER 2 H SER 2 2.394 7.548 -23.516 5 HA SER 2 HA SER 2 2.722 5.183 -25.244 6 HB2 SER 2 1HB SER 2 1.103 5.626 -22.751 7 HB3 SER 2 2HB SER 2 0.632 4.385 -23.911 8 HG SER 2 HG SER 2 2.678 3.440 -23.642 9 H SER 3 H SER 3 1.703 5.293 -27.121 10 HA SER 3 HA SER 3 0.152 7.346 -28.046 11 HB2 SER 3 1HB SER 3 1.154 5.400 -29.362 12 HB3 SER 3 2HB SER 3 -0.295 4.493 -28.928 13 HG SER 3 HG SER 3 -0.926 5.407 -30.755 14 H GLY 4 H GLY 4 -2.134 7.502 -28.547 15 HA2 GLY 4 1HA GLY 4 -4.091 5.820 -27.412 16 HA3 GLY 4 2HA GLY 4 -3.779 7.154 -26.311 17 H SER 5 H SER 5 -5.968 6.222 -28.383 18 HA SER 5 HA SER 5 -6.215 8.554 -30.060 19 HB2 SER 5 1HB SER 5 -7.011 6.142 -30.577 20 HB3 SER 5 2HB SER 5 -8.410 6.550 -29.584 21 HG SER 5 HG SER 5 -8.395 8.527 -31.081 22 H SER 6 H SER 6 -8.236 7.153 -27.474 23 HA SER 6 HA SER 6 -9.893 9.433 -27.221 24 HB2 SER 6 1HB SER 6 -9.406 6.991 -25.546 25 HB3 SER 6 2HB SER 6 -10.383 8.313 -24.908 26 HG SER 6 HG SER 6 -11.945 7.793 -26.226 27 H GLY 7 H GLY 7 -7.443 8.172 -24.944 28 HA2 GLY 7 1HA GLY 7 -5.830 10.230 -24.486 29 HA3 GLY 7 2HA GLY 7 -7.288 10.799 -23.686 30 H ARG 8 H ARG 8 -4.500 8.870 -23.423 31 HA ARG 8 HA ARG 8 -5.044 8.354 -20.645 32 HB2 ARG 8 1HB ARG 8 -4.792 5.929 -20.757 33 HB3 ARG 8 2HB ARG 8 -6.186 6.451 -21.693 34 HG2 ARG 8 1HG ARG 8 -4.838 6.275 -23.748 35 HG3 ARG 8 2HG ARG 8 -3.490 5.670 -22.782 36 HD2 ARG 8 1HD ARG 8 -4.572 3.675 -22.293 37 HD3 ARG 8 2HD ARG 8 -6.166 4.339 -22.650 38 HE ARG 8 HE ARG 8 -4.999 4.432 -25.050 39 HH11 ARG 8 1HH1 ARG 8 -5.156 1.898 -22.669 40 HH12 ARG 8 2HH1 ARG 8 -5.086 0.619 -23.835 41 HH21 ARG 8 1HH2 ARG 8 -4.906 2.757 -26.596 42 HH22 ARG 8 2HH2 ARG 8 -4.943 1.109 -26.069 43 H PHE 9 H PHE 9 -3.195 8.111 -19.465 44 HA PHE 9 HA PHE 9 -0.683 7.481 -20.753 45 HB2 PHE 9 1HB PHE 9 -1.128 10.194 -19.489 46 HB3 PHE 9 2HB PHE 9 0.425 9.567 -20.033 47 HD1 PHE 9 HD1 PHE 9 0.914 9.342 -22.408 48 HD2 PHE 9 HD2 PHE 9 -2.766 10.992 -21.047 49 HE1 PHE 9 HE1 PHE 9 0.495 10.253 -24.655 50 HE2 PHE 9 HE2 PHE 9 -3.191 11.905 -23.292 51 HZ PHE 9 HZ PHE 9 -1.560 11.535 -25.100 52 H THR 10 H THR 10 0.515 6.318 -19.402 53 HA THR 10 HA THR 10 -0.317 5.671 -16.805 54 HB THR 10 HB THR 10 1.957 4.644 -16.546 55 HG1 THR 10 HG1 THR 10 2.990 6.231 -17.976 56 HG21 THR 10 1HG2 THR 10 -0.162 3.879 -18.174 57 HG22 THR 10 2HG2 THR 10 1.153 2.849 -17.608 58 HG23 THR 10 3HG2 THR 10 1.267 3.642 -19.179 59 H TRP 11 H TRP 11 1.598 5.769 -15.013 60 HA TRP 11 HA TRP 11 2.144 8.643 -14.664 61 HB2 TRP 11 1HB TRP 11 2.326 7.774 -12.154 62 HB3 TRP 11 2HB TRP 11 0.780 8.211 -12.876 63 HD1 TRP 11 HD1 TRP 11 -0.542 5.955 -14.046 64 HE1 TRP 11 HE1 TRP 11 -0.824 3.624 -12.990 65 HE3 TRP 11 HE3 TRP 11 3.246 6.153 -10.617 66 HZ2 TRP 11 HZ2 TRP 11 0.397 2.076 -10.970 67 HZ3 TRP 11 HZ3 TRP 11 3.622 4.206 -9.161 68 HH2 TRP 11 HH2 TRP 11 2.226 2.210 -9.335 69 H SER 12 H SER 12 4.134 9.293 -13.794 70 HA SER 12 HA SER 12 6.284 7.335 -14.192 71 HB2 SER 12 1HB SER 12 6.186 10.341 -14.307 72 HB3 SER 12 2HB SER 12 7.721 9.489 -14.137 73 HG SER 12 HG SER 12 7.636 9.123 -16.192 74 H MET 13 H MET 13 8.330 8.189 -12.783 75 HA MET 13 HA MET 13 7.419 8.536 -10.012 76 HB2 MET 13 1HB MET 13 7.871 6.127 -10.475 77 HB3 MET 13 2HB MET 13 9.530 6.552 -10.874 78 HG2 MET 13 1HG MET 13 9.172 5.650 -8.569 79 HG3 MET 13 2HG MET 13 9.998 7.204 -8.655 80 HE1 MET 13 1HE MET 13 9.134 6.600 -5.890 81 HE2 MET 13 2HE MET 13 9.617 8.227 -6.369 82 HE3 MET 13 3HE MET 13 8.150 7.986 -5.418 83 H LYS 14 H LYS 14 8.955 9.475 -8.593 84 HA LYS 14 HA LYS 14 11.285 10.698 -9.912 85 HB2 LYS 14 1HB LYS 14 9.128 12.002 -8.296 86 HB3 LYS 14 2HB LYS 14 10.757 12.661 -8.248 87 HG2 LYS 14 1HG LYS 14 10.735 13.079 -10.597 88 HG3 LYS 14 2HG LYS 14 9.211 12.209 -10.789 89 HD2 LYS 14 1HD LYS 14 8.522 14.420 -10.786 90 HD3 LYS 14 2HD LYS 14 8.296 13.954 -9.099 91 HE2 LYS 14 1HE LYS 14 9.384 15.977 -8.887 92 HE3 LYS 14 2HE LYS 14 10.728 14.838 -8.814 93 HZ1 LYS 14 1HZ LYS 14 11.328 15.316 -11.018 94 HZ2 LYS 14 2HZ LYS 14 11.021 16.823 -10.313 95 HZ3 LYS 14 3HZ LYS 14 9.876 16.122 -11.342 96 H THR 15 H THR 15 9.845 10.518 -6.651 97 HA THR 15 HA THR 15 12.168 10.636 -5.180 98 HB THR 15 HB THR 15 9.614 9.140 -4.583 99 HG1 THR 15 HG1 THR 15 9.419 11.405 -4.667 100 HG21 THR 15 1HG2 THR 15 11.331 8.106 -3.255 101 HG22 THR 15 2HG2 THR 15 10.398 9.178 -2.211 102 HG23 THR 15 3HG2 THR 15 11.985 9.676 -2.794 103 H THR 16 H THR 16 13.561 9.111 -4.260 104 HA THR 16 HA THR 16 13.370 6.322 -4.943 105 HB THR 16 HB THR 16 15.840 6.548 -5.927 106 HG1 THR 16 HG1 THR 16 15.439 8.979 -5.753 107 HG21 THR 16 1HG2 THR 16 14.181 7.102 -8.154 108 HG22 THR 16 2HG2 THR 16 13.222 6.170 -7.002 109 HG23 THR 16 3HG2 THR 16 14.759 5.535 -7.589 110 H SER 17 H SER 17 14.801 5.018 -3.764 111 HA SER 17 HA SER 17 16.690 6.320 -1.965 112 HB2 SER 17 1HB SER 17 14.518 6.262 -0.750 113 HB3 SER 17 2HB SER 17 14.497 4.507 -0.928 114 HG SER 17 HG SER 17 15.747 4.403 0.743 115 H SER 18 H SER 18 18.352 4.999 -1.277 116 HA SER 18 HA SER 18 18.533 2.424 -2.669 117 HB2 SER 18 1HB SER 18 20.300 4.281 -2.928 118 HB3 SER 18 2HB SER 18 20.819 3.834 -1.303 119 HG SER 18 HG SER 18 22.016 2.646 -2.755 120 H MET 19 H MET 19 17.458 3.387 0.182 121 HA MET 19 HA MET 19 18.933 1.654 1.948 122 HB2 MET 19 1HB MET 19 18.024 3.632 2.922 123 HB3 MET 19 2HB MET 19 16.421 3.289 2.286 124 HG2 MET 19 1HG MET 19 16.024 1.613 3.844 125 HG3 MET 19 2HG MET 19 17.736 1.422 4.215 126 HE1 MET 19 1HE MET 19 14.649 3.898 6.222 127 HE2 MET 19 2HE MET 19 14.953 4.594 4.631 128 HE3 MET 19 3HE MET 19 14.510 2.893 4.780 129 H ASP 20 H ASP 20 18.129 -0.215 2.976 130 HA ASP 20 HA ASP 20 16.948 -2.120 1.397 131 HB2 ASP 20 1HB ASP 20 16.794 -1.947 4.414 132 HB3 ASP 20 2HB ASP 20 16.536 -3.402 3.455 133 HA PRO 21 HA PRO 21 12.662 -1.166 1.161 134 HB2 PRO 21 1HB PRO 21 11.677 -3.650 0.679 135 HB3 PRO 21 2HB PRO 21 12.561 -2.714 -0.533 136 HG2 PRO 21 1HG PRO 21 13.539 -4.916 1.243 137 HG3 PRO 21 2HG PRO 21 13.864 -4.640 -0.478 138 HD2 PRO 21 1HD PRO 21 15.631 -3.975 1.463 139 HD3 PRO 21 2HD PRO 21 15.480 -3.054 -0.047 140 H SER 22 H SER 22 13.716 -3.785 3.279 141 HA SER 22 HA SER 22 11.355 -4.238 4.679 142 HB2 SER 22 1HB SER 22 13.493 -5.574 4.841 143 HB3 SER 22 2HB SER 22 14.124 -4.307 5.894 144 HG SER 22 HG SER 22 11.943 -6.049 6.346 145 H ASP 23 H ASP 23 13.526 -1.560 4.787 146 HA ASP 23 HA ASP 23 12.481 -0.576 7.318 147 HB2 ASP 23 1HB ASP 23 14.574 0.459 5.406 148 HB3 ASP 23 2HB ASP 23 14.029 1.381 6.805 149 H MET 24 H MET 24 12.179 0.021 3.884 150 HA MET 24 HA MET 24 10.867 2.516 4.034 151 HB2 MET 24 1HB MET 24 11.200 0.402 1.967 152 HB3 MET 24 2HB MET 24 9.906 1.570 1.729 153 HG2 MET 24 1HG MET 24 11.442 3.387 1.727 154 HG3 MET 24 2HG MET 24 12.765 2.341 2.238 155 HE1 MET 24 1HE MET 24 10.022 2.780 -0.400 156 HE2 MET 24 2HE MET 24 11.175 4.021 -0.893 157 HE3 MET 24 3HE MET 24 10.886 2.623 -1.930 158 H MET 25 H MET 25 9.434 -0.656 3.232 159 HA MET 25 HA MET 25 6.800 -0.081 3.309 160 HB2 MET 25 1HB MET 25 8.355 -2.480 4.127 161 HB3 MET 25 2HB MET 25 6.653 -2.434 4.564 162 HG2 MET 25 1HG MET 25 7.703 -2.064 1.770 163 HG3 MET 25 2HG MET 25 7.118 -3.591 2.427 164 HE1 MET 25 1HE MET 25 4.934 -4.408 1.927 165 HE2 MET 25 2HE MET 25 4.487 -3.730 3.492 166 HE3 MET 25 3HE MET 25 3.435 -3.492 2.096 167 H ARG 26 H ARG 26 8.907 -0.439 6.106 168 HA ARG 26 HA ARG 26 6.819 -0.286 8.043 169 HB2 ARG 26 1HB ARG 26 8.850 -1.331 8.715 170 HB3 ARG 26 2HB ARG 26 9.809 0.054 8.211 171 HG2 ARG 26 1HG ARG 26 9.081 1.353 10.034 172 HG3 ARG 26 2HG ARG 26 7.782 0.222 10.418 173 HD2 ARG 26 1HD ARG 26 9.398 -1.456 11.079 174 HD3 ARG 26 2HD ARG 26 10.727 -0.400 10.602 175 HE ARG 26 HE ARG 26 9.324 -0.351 13.067 176 HH11 ARG 26 1HH1 ARG 26 10.847 1.715 10.715 177 HH12 ARG 26 2HH1 ARG 26 11.219 2.962 11.859 178 HH21 ARG 26 1HH2 ARG 26 9.808 1.283 14.582 179 HH22 ARG 26 2HH2 ARG 26 10.628 2.715 14.059 180 H GLU 27 H GLU 27 9.330 2.049 7.054 181 HA GLU 27 HA GLU 27 8.471 4.212 8.550 182 HB2 GLU 27 1HB GLU 27 10.589 4.225 7.359 183 HB3 GLU 27 2HB GLU 27 9.752 4.198 5.813 184 HG2 GLU 27 1HG GLU 27 9.295 6.424 7.756 185 HG3 GLU 27 2HG GLU 27 10.699 6.425 6.690 186 H ILE 28 H ILE 28 7.548 3.348 5.225 187 HA ILE 28 HA ILE 28 5.891 5.443 4.603 188 HB ILE 28 HB ILE 28 5.442 2.533 3.928 189 HG12 ILE 28 1HG1 ILE 28 6.922 4.750 2.500 190 HG13 ILE 28 2HG1 ILE 28 7.616 3.282 3.179 191 HG21 ILE 28 1HG2 ILE 28 3.482 4.143 3.650 192 HG22 ILE 28 2HG2 ILE 28 4.436 4.894 2.372 193 HG23 ILE 28 3HG2 ILE 28 3.961 3.201 2.238 194 HD11 ILE 28 1HD1 ILE 28 6.606 1.936 1.516 195 HD12 ILE 28 2HD1 ILE 28 5.607 3.274 0.948 196 HD13 ILE 28 3HD1 ILE 28 7.351 3.306 0.693 197 H ARG 29 H ARG 29 5.045 2.505 6.409 198 HA ARG 29 HA ARG 29 2.318 3.194 6.776 199 HB2 ARG 29 1HB ARG 29 4.176 1.224 8.072 200 HB3 ARG 29 2HB ARG 29 2.561 1.482 8.717 201 HG2 ARG 29 1HG ARG 29 1.608 0.883 6.536 202 HG3 ARG 29 2HG ARG 29 3.237 0.586 5.923 203 HD2 ARG 29 1HD ARG 29 3.489 -1.339 7.133 204 HD3 ARG 29 2HD ARG 29 2.399 -0.805 8.412 205 HE ARG 29 HE ARG 29 0.813 -1.138 6.197 206 HH11 ARG 29 1HH1 ARG 29 2.961 -3.141 8.065 207 HH12 ARG 29 2HH1 ARG 29 2.090 -4.604 7.741 208 HH21 ARG 29 1HH2 ARG 29 -0.343 -3.056 5.763 209 HH22 ARG 29 2HH2 ARG 29 0.211 -4.554 6.430 210 H LYS 30 H LYS 30 5.253 3.873 8.557 211 HA LYS 30 HA LYS 30 4.060 4.753 10.960 212 HB2 LYS 30 1HB LYS 30 6.392 4.220 10.956 213 HB3 LYS 30 2HB LYS 30 6.718 5.381 9.676 214 HG2 LYS 30 1HG LYS 30 5.799 7.105 11.414 215 HG3 LYS 30 2HG LYS 30 6.220 5.844 12.575 216 HD2 LYS 30 1HD LYS 30 8.160 7.113 12.480 217 HD3 LYS 30 2HD LYS 30 8.498 5.810 11.338 218 HE2 LYS 30 1HE LYS 30 7.799 7.280 9.491 219 HE3 LYS 30 2HE LYS 30 7.522 8.581 10.648 220 HZ1 LYS 30 1HZ LYS 30 10.079 7.712 11.141 221 HZ2 LYS 30 2HZ LYS 30 9.634 9.132 10.338 222 HZ3 LYS 30 3HZ LYS 30 9.958 7.728 9.453 223 H VAL 31 H VAL 31 5.215 6.552 8.114 224 HA VAL 31 HA VAL 31 4.504 9.110 9.017 225 HB VAL 31 HB VAL 31 4.880 7.974 6.258 226 HG11 VAL 31 1HG1 VAL 31 3.907 10.691 7.048 227 HG12 VAL 31 2HG1 VAL 31 4.891 10.479 5.598 228 HG13 VAL 31 3HG1 VAL 31 3.348 9.637 5.750 229 HG21 VAL 31 1HG2 VAL 31 6.859 9.440 6.283 230 HG22 VAL 31 2HG2 VAL 31 6.451 9.940 7.925 231 HG23 VAL 31 3HG2 VAL 31 6.883 8.262 7.595 232 H LEU 32 H LEU 32 2.688 6.711 7.154 233 HA LEU 32 HA LEU 32 0.475 8.170 6.425 234 HB2 LEU 32 1HB LEU 32 0.720 5.309 7.313 235 HB3 LEU 32 2HB LEU 32 -0.789 5.986 6.705 236 HG LEU 32 HG LEU 32 1.716 6.099 5.061 237 HD11 LEU 32 1HD1 LEU 32 -0.013 3.936 4.301 238 HD12 LEU 32 2HD1 LEU 32 0.560 3.713 5.954 239 HD13 LEU 32 3HD1 LEU 32 1.718 3.922 4.640 240 HD21 LEU 32 1HD2 LEU 32 -1.032 5.715 3.997 241 HD22 LEU 32 2HD2 LEU 32 0.332 6.605 3.319 242 HD23 LEU 32 3HD2 LEU 32 -0.603 7.298 4.646 243 H GLY 33 H GLY 33 1.018 6.481 9.510 244 HA2 GLY 33 1HA GLY 33 -1.436 7.068 10.708 245 HA3 GLY 33 2HA GLY 33 0.062 6.767 11.576 246 H ALA 34 H ALA 34 1.443 9.040 10.366 247 HA ALA 34 HA ALA 34 0.743 11.014 12.272 248 HB1 ALA 34 1HB ALA 34 2.301 12.254 10.306 249 HB2 ALA 34 2HB ALA 34 2.851 11.552 11.828 250 HB3 ALA 34 3HB ALA 34 2.843 10.576 10.359 251 H ASN 35 H ASN 35 -0.003 10.571 8.869 252 HA ASN 35 HA ASN 35 -1.425 13.131 8.808 253 HB2 ASN 35 1HB ASN 35 -0.772 11.189 6.579 254 HB3 ASN 35 2HB ASN 35 -1.597 12.731 6.370 255 HD21 ASN 35 1HD2 ASN 35 1.419 11.171 7.129 256 HD22 ASN 35 2HD2 ASN 35 2.425 12.554 6.886 257 H ASN 36 H ASN 36 -2.504 11.052 10.402 258 HA ASN 36 HA ASN 36 -4.329 9.649 10.635 259 HB2 ASN 36 1HB ASN 36 -5.157 11.929 11.079 260 HB3 ASN 36 2HB ASN 36 -5.574 12.104 9.376 261 HD21 ASN 36 1HD2 ASN 36 -7.737 12.343 9.623 262 HD22 ASN 36 2HD2 ASN 36 -8.779 11.104 10.226 263 H CYS 37 H CYS 37 -3.069 8.689 8.477 264 HA CYS 37 HA CYS 37 -5.145 8.377 6.416 265 HB2 CYS 37 1HB CYS 37 -2.153 8.231 6.337 266 HB3 CYS 37 2HB CYS 37 -3.096 7.349 5.142 267 HG CYS 37 HG CYS 37 -3.305 10.727 5.651 268 H ASP 38 H ASP 38 -5.648 6.298 5.632 269 HA ASP 38 HA ASP 38 -5.050 4.150 7.551 270 HB2 ASP 38 1HB ASP 38 -7.425 4.755 5.827 271 HB3 ASP 38 2HB ASP 38 -7.113 3.094 6.320 272 H TYR 39 H TYR 39 -4.219 2.224 6.882 273 HA TYR 39 HA TYR 39 -3.692 1.901 4.005 274 HB2 TYR 39 1HB TYR 39 -1.463 0.967 4.584 275 HB3 TYR 39 2HB TYR 39 -1.627 2.667 5.009 276 HD1 TYR 39 HD1 TYR 39 -1.740 3.359 7.348 277 HD2 TYR 39 HD2 TYR 39 -1.246 -0.732 6.292 278 HE1 TYR 39 HE1 TYR 39 -1.060 2.852 9.657 279 HE2 TYR 39 HE2 TYR 39 -0.566 -1.252 8.598 280 HH TYR 39 HH TYR 39 0.561 0.581 10.639 281 H GLU 40 H GLU 40 -3.227 -0.336 3.369 282 HA GLU 40 HA GLU 40 -3.982 -2.436 5.212 283 HB2 GLU 40 1HB GLU 40 -5.722 -1.591 2.915 284 HB3 GLU 40 2HB GLU 40 -5.708 -3.264 3.457 285 HG2 GLU 40 1HG GLU 40 -6.505 -0.832 5.031 286 HG3 GLU 40 2HG GLU 40 -7.530 -2.169 4.513 287 H GLN 41 H GLN 41 -3.372 -4.496 4.521 288 HA GLN 41 HA GLN 41 -1.339 -4.497 2.455 289 HB2 GLN 41 1HB GLN 41 -1.341 -5.680 4.825 290 HB3 GLN 41 2HB GLN 41 -2.120 -6.973 3.923 291 HG2 GLN 41 1HG GLN 41 0.484 -5.740 3.079 292 HG3 GLN 41 2HG GLN 41 0.383 -7.122 4.169 293 HE21 GLN 41 1HE2 GLN 41 1.759 -7.808 2.188 294 HE22 GLN 41 2HE2 GLN 41 0.892 -8.656 0.958 295 H ARG 42 H ARG 42 -2.314 -4.452 0.478 296 HA ARG 42 HA ARG 42 -4.502 -6.257 -0.124 297 HB2 ARG 42 1HB ARG 42 -3.148 -3.999 -1.516 298 HB3 ARG 42 2HB ARG 42 -3.968 -5.196 -2.509 299 HG2 ARG 42 1HG ARG 42 -5.444 -4.056 -0.201 300 HG3 ARG 42 2HG ARG 42 -5.198 -3.040 -1.622 301 HD2 ARG 42 1HD ARG 42 -6.176 -4.829 -3.021 302 HD3 ARG 42 2HD ARG 42 -6.493 -5.763 -1.560 303 HE ARG 42 HE ARG 42 -7.632 -3.115 -1.554 304 HH11 ARG 42 1HH1 ARG 42 -8.103 -6.459 -2.399 305 HH12 ARG 42 2HH1 ARG 42 -9.832 -6.356 -2.378 306 HH21 ARG 42 1HH2 ARG 42 -9.909 -2.967 -1.524 307 HH22 ARG 42 2HH2 ARG 42 -10.858 -4.369 -1.882 308 H GLU 43 H GLU 43 -1.302 -5.641 -1.586 309 HA GLU 43 HA GLU 43 -1.222 -8.486 -2.351 310 HB2 GLU 43 1HB GLU 43 0.299 -6.287 -3.739 311 HB3 GLU 43 2HB GLU 43 -0.005 -7.923 -4.307 312 HG2 GLU 43 1HG GLU 43 -2.477 -7.269 -4.295 313 HG3 GLU 43 2HG GLU 43 -1.899 -5.609 -4.164 314 H ARG 44 H ARG 44 1.241 -9.045 -2.887 315 HA ARG 44 HA ARG 44 2.603 -9.539 -0.645 316 HB2 ARG 44 1HB ARG 44 3.341 -10.272 -2.874 317 HB3 ARG 44 2HB ARG 44 3.900 -8.642 -3.224 318 HG2 ARG 44 1HG ARG 44 5.829 -9.809 -2.640 319 HG3 ARG 44 2HG ARG 44 5.408 -8.907 -1.183 320 HD2 ARG 44 1HD ARG 44 5.904 -11.034 -0.379 321 HD3 ARG 44 2HD ARG 44 4.144 -11.035 -0.486 322 HE ARG 44 HE ARG 44 4.320 -12.747 -1.971 323 HH11 ARG 44 1HH1 ARG 44 7.294 -10.939 -2.032 324 HH12 ARG 44 2HH1 ARG 44 8.070 -12.002 -3.159 325 HH21 ARG 44 1HH2 ARG 44 5.330 -14.155 -3.455 326 HH22 ARG 44 2HH2 ARG 44 6.952 -13.831 -3.968 327 H PHE 45 H PHE 45 3.723 -6.796 -2.619 328 HA PHE 45 HA PHE 45 4.325 -5.368 -0.112 329 HB2 PHE 45 1HB PHE 45 5.837 -5.615 -2.681 330 HB3 PHE 45 2HB PHE 45 5.995 -4.135 -1.741 331 HD1 PHE 45 HD2 PHE 45 6.970 -4.193 0.510 332 HD2 PHE 45 HD1 PHE 45 6.812 -7.663 -1.951 333 HE1 PHE 45 HE2 PHE 45 8.643 -5.284 1.947 334 HE2 PHE 45 HE1 PHE 45 8.484 -8.759 -0.517 335 HZ PHE 45 HZ PHE 45 9.403 -7.570 1.433 336 H LEU 46 H LEU 46 1.831 -5.322 -1.651 337 HA LEU 46 HA LEU 46 1.827 -2.501 -2.502 338 HB2 LEU 46 1HB LEU 46 1.183 -4.478 -4.097 339 HB3 LEU 46 2HB LEU 46 -0.351 -4.404 -3.233 340 HG LEU 46 HG LEU 46 -0.170 -1.840 -3.895 341 HD11 LEU 46 1HD1 LEU 46 1.948 -3.075 -5.385 342 HD12 LEU 46 2HD1 LEU 46 1.490 -1.375 -5.288 343 HD13 LEU 46 3HD1 LEU 46 0.728 -2.426 -6.481 344 HD21 LEU 46 1HD2 LEU 46 -0.992 -3.833 -5.986 345 HD22 LEU 46 2HD2 LEU 46 -1.708 -2.264 -5.615 346 HD23 LEU 46 3HD2 LEU 46 -1.903 -3.611 -4.492 347 H LEU 47 H LEU 47 0.781 -1.124 -1.236 348 HA LEU 47 HA LEU 47 -1.255 -2.185 0.611 349 HB2 LEU 47 1HB LEU 47 0.498 0.239 0.974 350 HB3 LEU 47 2HB LEU 47 -0.681 -0.376 2.129 351 HG LEU 47 HG LEU 47 1.644 -2.060 1.265 352 HD11 LEU 47 1HD1 LEU 47 2.177 -0.865 3.776 353 HD12 LEU 47 2HD1 LEU 47 1.842 0.426 2.624 354 HD13 LEU 47 3HD1 LEU 47 3.110 -0.751 2.284 355 HD21 LEU 47 1HD2 LEU 47 1.054 -3.419 2.965 356 HD22 LEU 47 2HD2 LEU 47 -0.524 -2.662 2.742 357 HD23 LEU 47 3HD2 LEU 47 0.562 -2.083 4.007 358 H PHE 48 H PHE 48 -2.948 -0.614 1.238 359 HA PHE 48 HA PHE 48 -3.633 1.148 -1.022 360 HB2 PHE 48 1HB PHE 48 -5.097 -0.852 -0.803 361 HB3 PHE 48 2HB PHE 48 -5.548 -0.309 0.810 362 HD1 PHE 48 HD2 PHE 48 -5.851 0.357 -2.782 363 HD2 PHE 48 HD1 PHE 48 -7.075 1.508 1.128 364 HE1 PHE 48 HE2 PHE 48 -7.660 1.713 -3.752 365 HE2 PHE 48 HE1 PHE 48 -8.887 2.865 0.165 366 HZ PHE 48 HZ PHE 48 -9.181 2.970 -2.278 367 H CYS 49 H CYS 49 -2.964 3.102 -0.280 368 HA CYS 49 HA CYS 49 -3.433 3.941 2.432 369 HB2 CYS 49 1HB CYS 49 -2.500 5.576 0.064 370 HB3 CYS 49 2HB CYS 49 -2.385 6.034 1.759 371 HG CYS 49 HG CYS 49 -0.879 3.139 0.941 372 H VAL 50 H VAL 50 -4.656 5.852 3.011 373 HA VAL 50 HA VAL 50 -6.672 6.791 1.151 374 HB VAL 50 HB VAL 50 -7.396 5.201 3.608 375 HG11 VAL 50 1HG1 VAL 50 -9.002 6.731 3.942 376 HG12 VAL 50 2HG1 VAL 50 -8.799 7.438 2.338 377 HG13 VAL 50 3HG1 VAL 50 -9.778 5.985 2.546 378 HG21 VAL 50 1HG2 VAL 50 -8.946 4.136 1.861 379 HG22 VAL 50 2HG2 VAL 50 -7.921 4.931 0.666 380 HG23 VAL 50 3HG2 VAL 50 -7.226 3.754 1.780 381 H HIS 51 H HIS 51 -7.283 8.839 1.580 382 HA HIS 51 HA HIS 51 -6.824 9.946 4.248 383 HB2 HIS 51 1HB HIS 51 -4.787 10.362 2.827 384 HB3 HIS 51 2HB HIS 51 -5.804 11.321 1.757 385 HD1 HIS 51 HD1 HIS 51 -5.509 13.724 2.196 386 HD2 HIS 51 HD2 HIS 51 -5.209 11.482 5.682 387 HE1 HIS 51 HE1 HIS 51 -5.099 15.390 4.034 388 HE2 HIS 51 HE2 HIS 51 -4.835 14.004 6.121 389 H GLY 52 H GLY 52 -8.177 11.633 4.799 390 HA2 GLY 52 1HA GLY 52 -10.270 12.258 2.808 391 HA3 GLY 52 2HA GLY 52 -10.580 12.101 4.530 392 H ASP 53 H ASP 53 -8.698 14.015 2.203 393 HA ASP 53 HA ASP 53 -8.553 16.230 4.078 394 HB2 ASP 53 1HB ASP 53 -6.708 15.436 2.400 395 HB3 ASP 53 2HB ASP 53 -7.621 16.390 1.234 396 H GLY 54 H GLY 54 -11.162 15.420 3.106 397 HA2 GLY 54 1HA GLY 54 -12.234 17.967 2.515 398 HA3 GLY 54 2HA GLY 54 -12.150 17.015 1.040 399 H HIS 55 H HIS 55 -14.323 16.755 0.723 400 HA HIS 55 HA HIS 55 -15.930 15.617 2.881 401 HB2 HIS 55 1HB HIS 55 -16.917 16.336 0.126 402 HB3 HIS 55 2HB HIS 55 -17.844 16.204 1.618 403 HD1 HIS 55 HD1 HIS 55 -16.980 18.089 3.509 404 HD2 HIS 55 HD2 HIS 55 -16.391 18.898 -0.523 405 HE1 HIS 55 HE1 HIS 55 -16.650 20.578 3.364 406 HE2 HIS 55 HE2 HIS 55 -16.381 21.055 0.905 407 H ALA 56 H ALA 56 -17.573 13.908 2.113 408 HA ALA 56 HA ALA 56 -16.302 11.536 1.583 409 HB1 ALA 56 1HB ALA 56 -18.579 10.703 0.858 410 HB2 ALA 56 2HB ALA 56 -18.495 11.457 2.450 411 HB3 ALA 56 3HB ALA 56 -19.151 12.356 1.082 412 H GLU 57 H GLU 57 -18.136 13.474 -0.788 413 HA GLU 57 HA GLU 57 -17.492 11.888 -3.016 414 HB2 GLU 57 1HB GLU 57 -18.393 13.630 -4.352 415 HB3 GLU 57 2HB GLU 57 -19.320 13.627 -2.859 416 HG2 GLU 57 1HG GLU 57 -17.536 15.425 -2.143 417 HG3 GLU 57 2HG GLU 57 -17.383 15.628 -3.888 418 H ASN 58 H ASN 58 -15.500 13.792 -1.144 419 HA ASN 58 HA ASN 58 -13.597 14.182 -3.360 420 HB2 ASN 58 1HB ASN 58 -13.757 15.672 -0.730 421 HB3 ASN 58 2HB ASN 58 -12.576 15.962 -2.004 422 HD21 ASN 58 1HD2 ASN 58 -15.392 17.015 -0.706 423 HD22 ASN 58 2HD2 ASN 58 -16.045 17.857 -2.066 424 H LEU 59 H LEU 59 -13.981 11.718 -1.889 425 HA LEU 59 HA LEU 59 -11.783 11.489 -0.035 426 HB2 LEU 59 1HB LEU 59 -13.985 10.203 0.036 427 HB3 LEU 59 2HB LEU 59 -13.320 9.221 -1.267 428 HG LEU 59 HG LEU 59 -12.862 7.938 0.592 429 HD11 LEU 59 1HD1 LEU 59 -10.503 7.980 0.934 430 HD12 LEU 59 2HD1 LEU 59 -10.410 9.681 0.479 431 HD13 LEU 59 3HD1 LEU 59 -10.812 8.466 -0.733 432 HD21 LEU 59 1HD2 LEU 59 -13.341 10.243 2.015 433 HD22 LEU 59 2HD2 LEU 59 -11.649 9.897 2.372 434 HD23 LEU 59 3HD2 LEU 59 -12.886 8.681 2.696 435 H VAL 60 H VAL 60 -9.742 11.139 -0.579 436 HA VAL 60 HA VAL 60 -9.134 10.211 -3.293 437 HB VAL 60 HB VAL 60 -7.494 11.672 -1.234 438 HG11 VAL 60 1HG1 VAL 60 -6.579 10.210 -3.690 439 HG12 VAL 60 2HG1 VAL 60 -5.685 11.588 -3.046 440 HG13 VAL 60 3HG1 VAL 60 -5.921 10.148 -2.055 441 HG21 VAL 60 1HG2 VAL 60 -7.984 13.480 -2.432 442 HG22 VAL 60 2HG2 VAL 60 -7.437 12.704 -3.918 443 HG23 VAL 60 3HG2 VAL 60 -9.102 12.494 -3.375 444 H GLN 61 H GLN 61 -8.297 8.260 -3.672 445 HA GLN 61 HA GLN 61 -7.057 6.788 -1.456 446 HB2 GLN 61 1HB GLN 61 -8.904 5.427 -3.402 447 HB3 GLN 61 2HB GLN 61 -8.294 4.822 -1.868 448 HG2 GLN 61 1HG GLN 61 -9.673 6.379 -0.653 449 HG3 GLN 61 2HG GLN 61 -10.215 7.119 -2.158 450 HE21 GLN 61 1HE2 GLN 61 -11.238 5.237 0.210 451 HE22 GLN 61 2HE2 GLN 61 -12.334 4.203 -0.635 452 H TRP 62 H TRP 62 -5.201 5.814 -1.983 453 HA TRP 62 HA TRP 62 -4.664 5.066 -4.744 454 HB2 TRP 62 1HB TRP 62 -2.626 6.317 -4.930 455 HB3 TRP 62 2HB TRP 62 -3.899 7.443 -4.466 456 HD1 TRP 62 HD1 TRP 62 -0.528 6.236 -3.424 457 HE1 TRP 62 HE1 TRP 62 0.146 7.323 -1.191 458 HE3 TRP 62 HE3 TRP 62 -5.039 8.248 -2.106 459 HZ2 TRP 62 HZ2 TRP 62 -1.073 8.834 0.858 460 HZ3 TRP 62 HZ3 TRP 62 -5.200 9.499 0.006 461 HH2 TRP 62 HH2 TRP 62 -3.257 9.784 1.457 462 H GLU 63 H GLU 63 -2.756 3.710 -4.966 463 HA GLU 63 HA GLU 63 -2.178 2.261 -2.471 464 HB2 GLU 63 1HB GLU 63 -2.315 1.373 -5.341 465 HB3 GLU 63 2HB GLU 63 -1.469 0.418 -4.131 466 HG2 GLU 63 1HG GLU 63 -3.539 0.277 -2.818 467 HG3 GLU 63 2HG GLU 63 -4.378 1.186 -4.074 468 H MET 64 H MET 64 -0.006 1.221 -2.376 469 HA MET 64 HA MET 64 2.080 2.572 -3.895 470 HB2 MET 64 1HB MET 64 1.859 2.704 -0.886 471 HB3 MET 64 2HB MET 64 3.327 3.092 -1.774 472 HG2 MET 64 1HG MET 64 2.343 4.971 -2.788 473 HG3 MET 64 2HG MET 64 0.722 4.477 -2.306 474 HE1 MET 64 1HE MET 64 3.929 6.021 0.632 475 HE2 MET 64 2HE MET 64 4.041 4.477 -0.214 476 HE3 MET 64 3HE MET 64 4.153 5.989 -1.117 477 H GLU 65 H GLU 65 4.067 1.473 -3.913 478 HA GLU 65 HA GLU 65 4.363 -0.971 -2.392 479 HB2 GLU 65 1HB GLU 65 3.135 -1.968 -4.121 480 HB3 GLU 65 2HB GLU 65 3.870 -0.952 -5.354 481 HG2 GLU 65 1HG GLU 65 5.993 -2.136 -5.054 482 HG3 GLU 65 2HG GLU 65 5.235 -3.168 -3.842 483 H VAL 66 H VAL 66 6.483 -1.749 -2.346 484 HA VAL 66 HA VAL 66 8.476 0.162 -3.347 485 HB VAL 66 HB VAL 66 8.823 -1.979 -1.244 486 HG11 VAL 66 1HG1 VAL 66 10.959 -1.221 -0.908 487 HG12 VAL 66 2HG1 VAL 66 10.805 -0.970 -2.648 488 HG13 VAL 66 3HG1 VAL 66 10.606 0.387 -1.539 489 HG21 VAL 66 1HG2 VAL 66 8.256 0.969 -0.984 490 HG22 VAL 66 2HG2 VAL 66 7.263 -0.371 -0.408 491 HG23 VAL 66 3HG2 VAL 66 8.825 -0.046 0.342 492 H CYS 67 H CYS 67 9.097 -0.452 -5.340 493 HA CYS 67 HA CYS 67 10.060 -3.217 -5.657 494 HB2 CYS 67 1HB CYS 67 7.904 -2.496 -6.935 495 HB3 CYS 67 2HB CYS 67 9.021 -1.628 -7.981 496 HG CYS 67 HG CYS 67 8.929 -3.736 -9.510 497 H LYS 68 H LYS 68 11.916 -3.517 -6.924 498 HA LYS 68 HA LYS 68 13.772 -1.335 -6.829 499 HB2 LYS 68 1HB LYS 68 13.962 -4.175 -7.820 500 HB3 LYS 68 2HB LYS 68 15.297 -3.040 -7.970 501 HG2 LYS 68 1HG LYS 68 15.871 -4.019 -6.008 502 HG3 LYS 68 2HG LYS 68 14.843 -2.727 -5.382 503 HD2 LYS 68 1HD LYS 68 12.960 -4.254 -5.250 504 HD3 LYS 68 2HD LYS 68 13.929 -5.544 -5.965 505 HE2 LYS 68 1HE LYS 68 15.499 -5.294 -4.013 506 HE3 LYS 68 2HE LYS 68 14.302 -4.225 -3.283 507 HZ1 LYS 68 1HZ LYS 68 13.465 -6.088 -2.424 508 HZ2 LYS 68 2HZ LYS 68 14.313 -7.091 -3.489 509 HZ3 LYS 68 3HZ LYS 68 12.845 -6.399 -3.967 510 H LEU 69 H LEU 69 13.856 0.216 -8.306 511 HA LEU 69 HA LEU 69 12.563 0.145 -10.791 512 HB2 LEU 69 1HB LEU 69 14.888 1.893 -10.007 513 HB3 LEU 69 2HB LEU 69 13.711 2.210 -11.279 514 HG LEU 69 HG LEU 69 12.033 2.087 -9.217 515 HD11 LEU 69 1HD1 LEU 69 13.413 3.505 -7.432 516 HD12 LEU 69 2HD1 LEU 69 14.718 2.487 -8.039 517 HD13 LEU 69 3HD1 LEU 69 13.272 1.749 -7.350 518 HD21 LEU 69 1HD2 LEU 69 13.726 4.434 -10.055 519 HD22 LEU 69 2HD2 LEU 69 12.295 4.568 -9.033 520 HD23 LEU 69 3HD2 LEU 69 12.146 3.965 -10.684 521 HA PRO 70 HA PRO 70 15.367 -2.178 -13.282 522 HB2 PRO 70 1HB PRO 70 14.488 -1.360 -15.717 523 HB3 PRO 70 2HB PRO 70 13.590 -2.496 -14.703 524 HG2 PRO 70 1HG PRO 70 13.185 0.447 -15.067 525 HG3 PRO 70 2HG PRO 70 11.976 -0.848 -14.993 526 HD2 PRO 70 1HD PRO 70 12.528 0.751 -12.879 527 HD3 PRO 70 2HD PRO 70 12.035 -0.945 -12.691 528 H ARG 71 H ARG 71 14.926 1.283 -13.872 529 HA ARG 71 HA ARG 71 17.256 1.597 -15.471 530 HB2 ARG 71 1HB ARG 71 15.141 3.151 -15.104 531 HB3 ARG 71 2HB ARG 71 16.167 3.866 -13.868 532 HG2 ARG 71 1HG ARG 71 17.138 3.497 -16.678 533 HG3 ARG 71 2HG ARG 71 16.186 4.905 -16.202 534 HD2 ARG 71 1HD ARG 71 17.916 5.154 -14.307 535 HD3 ARG 71 2HD ARG 71 18.910 4.067 -15.276 536 HE ARG 71 HE ARG 71 19.306 5.786 -16.733 537 HH11 ARG 71 1HH1 ARG 71 16.595 6.608 -14.710 538 HH12 ARG 71 2HH1 ARG 71 16.497 8.241 -15.280 539 HH21 ARG 71 1HH2 ARG 71 19.188 7.934 -17.492 540 HH22 ARG 71 2HH2 ARG 71 17.972 8.994 -16.863 541 H LEU 72 H LEU 72 16.661 2.991 -12.245 542 HA LEU 72 HA LEU 72 19.499 3.092 -11.726 543 HB2 LEU 72 1HB LEU 72 17.364 3.676 -9.709 544 HB3 LEU 72 2HB LEU 72 18.982 4.363 -9.839 545 HG LEU 72 HG LEU 72 16.963 4.917 -11.973 546 HD11 LEU 72 1HD1 LEU 72 16.958 7.048 -10.113 547 HD12 LEU 72 2HD1 LEU 72 16.591 5.566 -9.229 548 HD13 LEU 72 3HD1 LEU 72 15.609 6.030 -10.619 549 HD21 LEU 72 1HD2 LEU 72 18.302 7.168 -11.693 550 HD22 LEU 72 2HD2 LEU 72 18.966 5.816 -12.612 551 HD23 LEU 72 3HD2 LEU 72 19.496 6.100 -10.953 552 H SER 73 H SER 73 20.467 2.194 -9.781 553 HA SER 73 HA SER 73 19.475 -0.507 -9.287 554 HB2 SER 73 1HB SER 73 21.679 -0.985 -8.410 555 HB3 SER 73 2HB SER 73 21.860 -0.131 -9.942 556 HG SER 73 HG SER 73 22.978 1.278 -8.877 557 H LEU 74 H LEU 74 17.797 1.163 -8.092 558 HA LEU 74 HA LEU 74 18.322 0.694 -5.264 559 HB2 LEU 74 1HB LEU 74 17.247 3.364 -6.073 560 HB3 LEU 74 2HB LEU 74 17.980 2.876 -4.546 561 HG LEU 74 HG LEU 74 20.158 2.661 -5.908 562 HD11 LEU 74 1HD1 LEU 74 19.964 3.015 -8.093 563 HD12 LEU 74 2HD1 LEU 74 19.699 4.716 -7.713 564 HD13 LEU 74 3HD1 LEU 74 18.321 3.634 -7.918 565 HD21 LEU 74 1HD2 LEU 74 19.585 5.505 -5.880 566 HD22 LEU 74 2HD2 LEU 74 20.717 4.569 -4.903 567 HD23 LEU 74 3HD2 LEU 74 19.026 4.695 -4.416 568 H ASN 75 H ASN 75 16.300 1.249 -3.946 569 HA ASN 75 HA ASN 75 13.989 0.199 -5.409 570 HB2 ASN 75 1HB ASN 75 14.231 0.501 -2.417 571 HB3 ASN 75 2HB ASN 75 13.127 -0.534 -3.317 572 HD21 ASN 75 1HD2 ASN 75 13.990 -2.168 -1.846 573 HD22 ASN 75 2HD2 ASN 75 15.450 -2.984 -2.280 574 H GLY 76 H GLY 76 12.121 1.312 -5.648 575 HA2 GLY 76 1HA GLY 76 11.966 3.966 -4.359 576 HA3 GLY 76 2HA GLY 76 11.539 3.722 -6.046 577 H VAL 77 H VAL 77 9.495 4.717 -5.347 578 HA VAL 77 HA VAL 77 7.654 2.649 -4.357 579 HB VAL 77 HB VAL 77 7.524 5.560 -3.557 580 HG11 VAL 77 1HG1 VAL 77 5.432 3.899 -3.803 581 HG12 VAL 77 2HG1 VAL 77 5.945 3.489 -2.165 582 HG13 VAL 77 3HG1 VAL 77 5.530 5.155 -2.569 583 HG21 VAL 77 1HG2 VAL 77 8.124 4.821 -1.326 584 HG22 VAL 77 2HG2 VAL 77 8.242 3.153 -1.886 585 HG23 VAL 77 3HG2 VAL 77 9.383 4.362 -2.474 586 H ARG 78 H ARG 78 6.143 2.255 -5.821 587 HA ARG 78 HA ARG 78 5.643 4.166 -7.950 588 HB2 ARG 78 1HB ARG 78 4.165 2.296 -8.827 589 HB3 ARG 78 2HB ARG 78 5.884 1.941 -8.714 590 HG2 ARG 78 1HG ARG 78 5.606 0.431 -7.029 591 HG3 ARG 78 2HG ARG 78 4.154 1.221 -6.412 592 HD2 ARG 78 1HD ARG 78 3.251 -0.667 -7.354 593 HD3 ARG 78 2HD ARG 78 3.139 0.462 -8.703 594 HE ARG 78 HE ARG 78 5.564 -0.764 -9.014 595 HH11 ARG 78 1HH1 ARG 78 2.261 -1.829 -8.754 596 HH12 ARG 78 2HH1 ARG 78 2.499 -3.234 -9.740 597 HH21 ARG 78 1HH2 ARG 78 5.891 -2.609 -10.314 598 HH22 ARG 78 2HH2 ARG 78 4.565 -3.677 -10.626 599 H PHE 79 H PHE 79 4.208 5.725 -7.604 600 HA PHE 79 HA PHE 79 2.000 5.307 -5.754 601 HB2 PHE 79 1HB PHE 79 3.029 7.748 -7.203 602 HB3 PHE 79 2HB PHE 79 1.566 7.761 -6.224 603 HD1 PHE 79 HD2 PHE 79 5.201 7.021 -6.068 604 HD2 PHE 79 HD1 PHE 79 1.688 8.127 -3.934 605 HE1 PHE 79 HE2 PHE 79 6.557 7.439 -4.058 606 HE2 PHE 79 HE1 PHE 79 3.039 8.547 -1.921 607 HZ PHE 79 HZ PHE 79 5.476 8.203 -1.981 608 H LYS 80 H LYS 80 0.451 4.092 -6.711 609 HA LYS 80 HA LYS 80 -0.445 4.787 -9.408 610 HB2 LYS 80 1HB LYS 80 0.019 2.393 -8.712 611 HB3 LYS 80 2HB LYS 80 -1.406 2.500 -7.687 612 HG2 LYS 80 1HG LYS 80 -1.694 3.225 -10.551 613 HG3 LYS 80 2HG LYS 80 -1.515 1.519 -10.133 614 HD2 LYS 80 1HD LYS 80 -3.481 3.192 -8.633 615 HD3 LYS 80 2HD LYS 80 -3.891 2.622 -10.253 616 HE2 LYS 80 1HE LYS 80 -3.058 0.319 -9.285 617 HE3 LYS 80 2HE LYS 80 -3.448 1.079 -7.742 618 HZ1 LYS 80 1HZ LYS 80 -5.565 0.606 -8.094 619 HZ2 LYS 80 2HZ LYS 80 -5.195 -0.101 -9.586 620 HZ3 LYS 80 3HZ LYS 80 -5.569 1.547 -9.501 621 H ARG 81 H ARG 81 -2.172 6.018 -9.730 622 HA ARG 81 HA ARG 81 -3.780 6.887 -7.507 623 HB2 ARG 81 1HB ARG 81 -3.035 8.332 -9.464 624 HB3 ARG 81 2HB ARG 81 -4.251 7.498 -10.421 625 HG2 ARG 81 1HG ARG 81 -5.100 8.726 -7.856 626 HG3 ARG 81 2HG ARG 81 -4.752 9.790 -9.220 627 HD2 ARG 81 1HD ARG 81 -6.778 7.570 -9.070 628 HD3 ARG 81 2HD ARG 81 -7.073 9.293 -9.299 629 HE ARG 81 HE ARG 81 -5.588 8.689 -11.448 630 HH11 ARG 81 1HH1 ARG 81 -8.390 7.165 -10.053 631 HH12 ARG 81 2HH1 ARG 81 -8.981 6.568 -11.569 632 HH21 ARG 81 1HH2 ARG 81 -6.356 7.909 -13.449 633 HH22 ARG 81 2HH2 ARG 81 -7.823 6.991 -13.500 634 H ILE 82 H ILE 82 -5.642 6.039 -6.853 635 HA ILE 82 HA ILE 82 -6.955 4.058 -8.584 636 HB ILE 82 HB ILE 82 -6.909 4.411 -5.600 637 HG12 ILE 82 1HG1 ILE 82 -6.520 1.806 -6.010 638 HG13 ILE 82 2HG1 ILE 82 -5.989 2.386 -7.584 639 HG21 ILE 82 1HG2 ILE 82 -8.552 2.456 -5.600 640 HG22 ILE 82 2HG2 ILE 82 -9.196 4.059 -5.953 641 HG23 ILE 82 3HG2 ILE 82 -8.908 2.916 -7.265 642 HD11 ILE 82 1HD1 ILE 82 -4.432 3.932 -6.373 643 HD12 ILE 82 2HD1 ILE 82 -4.855 3.073 -4.891 644 HD13 ILE 82 3HD1 ILE 82 -4.071 2.213 -6.217 645 H SER 83 H SER 83 -7.982 6.326 -6.025 646 HA SER 83 HA SER 83 -10.307 7.004 -7.706 647 HB2 SER 83 1HB SER 83 -10.118 6.911 -4.685 648 HB3 SER 83 2HB SER 83 -11.525 7.467 -5.591 649 HG SER 83 HG SER 83 -11.943 5.369 -5.209 650 H GLY 84 H GLY 84 -11.306 9.184 -6.669 651 HA2 GLY 84 1HA GLY 84 -11.060 11.454 -6.399 652 HA3 GLY 84 2HA GLY 84 -9.462 11.129 -5.744 653 H THR 85 H THR 85 -10.661 13.109 -7.762 654 HA THR 85 HA THR 85 -9.661 12.645 -10.313 655 HB THR 85 HB THR 85 -11.134 14.592 -9.466 656 HG1 THR 85 HG1 THR 85 -10.111 15.962 -11.203 657 HG21 THR 85 1HG2 THR 85 -8.521 16.060 -9.317 658 HG22 THR 85 2HG2 THR 85 -9.231 15.325 -7.879 659 HG23 THR 85 3HG2 THR 85 -10.115 16.570 -8.762 660 H SER 86 H SER 86 -7.827 13.864 -11.348 661 HA SER 86 HA SER 86 -5.385 13.032 -10.314 662 HB2 SER 86 1HB SER 86 -4.490 14.892 -11.952 663 HB3 SER 86 2HB SER 86 -5.299 13.460 -12.590 664 HG SER 86 HG SER 86 -6.736 14.742 -13.401 665 H ILE 87 H ILE 87 -6.740 16.328 -10.354 666 HA ILE 87 HA ILE 87 -4.735 17.683 -9.058 667 HB ILE 87 HB ILE 87 -7.715 18.079 -8.797 668 HG12 ILE 87 1HG1 ILE 87 -5.692 19.623 -10.426 669 HG13 ILE 87 2HG1 ILE 87 -6.645 18.292 -11.073 670 HG21 ILE 87 1HG2 ILE 87 -5.429 19.802 -7.871 671 HG22 ILE 87 2HG2 ILE 87 -7.069 20.407 -8.094 672 HG23 ILE 87 3HG2 ILE 87 -6.751 19.142 -6.908 673 HD11 ILE 87 1HD1 ILE 87 -7.563 20.991 -10.168 674 HD12 ILE 87 2HD1 ILE 87 -7.797 20.200 -11.727 675 HD13 ILE 87 3HD1 ILE 87 -8.682 19.636 -10.310 676 H ALA 88 H ALA 88 -7.631 16.387 -7.419 677 HA ALA 88 HA ALA 88 -6.805 16.795 -4.812 678 HB1 ALA 88 1HB ALA 88 -9.082 16.104 -5.523 679 HB2 ALA 88 2HB ALA 88 -8.467 14.468 -5.762 680 HB3 ALA 88 3HB ALA 88 -8.458 15.186 -4.152 681 H PHE 89 H PHE 89 -6.314 13.919 -6.844 682 HA PHE 89 HA PHE 89 -5.075 12.266 -5.016 683 HB2 PHE 89 1HB PHE 89 -5.608 11.349 -7.131 684 HB3 PHE 89 2HB PHE 89 -4.690 12.584 -7.986 685 HD1 PHE 89 HD1 PHE 89 -3.983 10.111 -5.277 686 HD2 PHE 89 HD2 PHE 89 -2.810 11.786 -9.010 687 HE1 PHE 89 HE1 PHE 89 -2.031 8.613 -5.332 688 HE2 PHE 89 HE2 PHE 89 -0.857 10.291 -9.071 689 HZ PHE 89 HZ PHE 89 -0.466 8.701 -7.231 690 H LYS 90 H LYS 90 -3.243 14.083 -7.472 691 HA LYS 90 HA LYS 90 -0.737 13.826 -6.427 692 HB2 LYS 90 1HB LYS 90 -1.285 14.920 -8.587 693 HB3 LYS 90 2HB LYS 90 -1.832 16.339 -7.704 694 HG2 LYS 90 1HG LYS 90 0.601 16.188 -6.676 695 HG3 LYS 90 2HG LYS 90 0.920 15.350 -8.197 696 HD2 LYS 90 1HD LYS 90 -0.490 18.002 -8.112 697 HD3 LYS 90 2HD LYS 90 1.271 17.884 -8.143 698 HE2 LYS 90 1HE LYS 90 -0.294 16.350 -10.157 699 HE3 LYS 90 2HE LYS 90 -0.141 18.094 -10.365 700 HZ1 LYS 90 1HZ LYS 90 1.600 16.758 -11.500 701 HZ2 LYS 90 2HZ LYS 90 2.173 16.278 -9.983 702 HZ3 LYS 90 3HZ LYS 90 2.213 17.911 -10.424 703 H ASN 91 H ASN 91 -3.296 15.929 -5.314 704 HA ASN 91 HA ASN 91 -1.850 17.705 -3.733 705 HB2 ASN 91 1HB ASN 91 -4.429 17.513 -4.292 706 HB3 ASN 91 2HB ASN 91 -4.475 16.671 -2.746 707 HD21 ASN 91 1HD2 ASN 91 -5.064 19.519 -4.050 708 HD22 ASN 91 2HD2 ASN 91 -4.636 20.577 -2.753 709 H ILE 92 H ILE 92 -3.516 14.749 -2.621 710 HA ILE 92 HA ILE 92 -2.279 14.773 -0.069 711 HB ILE 92 HB ILE 92 -4.423 13.635 -0.496 712 HG12 ILE 92 1HG1 ILE 92 -3.991 11.674 0.871 713 HG13 ILE 92 2HG1 ILE 92 -2.284 11.714 0.445 714 HG21 ILE 92 1HG2 ILE 92 -4.066 12.714 -2.667 715 HG22 ILE 92 2HG2 ILE 92 -2.711 11.743 -2.094 716 HG23 ILE 92 3HG2 ILE 92 -4.350 11.372 -1.559 717 HD11 ILE 92 1HD1 ILE 92 -3.576 14.024 1.835 718 HD12 ILE 92 2HD1 ILE 92 -3.001 12.617 2.730 719 HD13 ILE 92 3HD1 ILE 92 -1.873 13.573 1.770 720 H ALA 93 H ALA 93 -1.428 13.380 -3.153 721 HA ALA 93 HA ALA 93 0.486 11.512 -2.246 722 HB1 ALA 93 1HB ALA 93 0.908 11.107 -4.440 723 HB2 ALA 93 2HB ALA 93 -0.627 11.957 -4.623 724 HB3 ALA 93 3HB ALA 93 0.893 12.816 -4.875 725 H SER 94 H SER 94 0.590 14.950 -2.748 726 HA SER 94 HA SER 94 3.425 15.202 -2.856 727 HB2 SER 94 1HB SER 94 1.661 16.903 -3.631 728 HB3 SER 94 2HB SER 94 1.539 17.366 -1.934 729 HG SER 94 HG SER 94 3.097 18.549 -3.325 730 H LYS 95 H LYS 95 1.084 14.992 -0.295 731 HA LYS 95 HA LYS 95 2.699 16.042 1.789 732 HB2 LYS 95 1HB LYS 95 0.269 14.264 1.752 733 HB3 LYS 95 2HB LYS 95 1.073 14.698 3.254 734 HG2 LYS 95 1HG LYS 95 0.160 16.796 1.322 735 HG3 LYS 95 2HG LYS 95 -0.943 16.087 2.504 736 HD2 LYS 95 1HD LYS 95 0.446 16.823 4.323 737 HD3 LYS 95 2HD LYS 95 1.694 17.375 3.203 738 HE2 LYS 95 1HE LYS 95 0.474 19.290 3.945 739 HE3 LYS 95 2HE LYS 95 0.032 18.985 2.266 740 HZ1 LYS 95 1HZ LYS 95 -1.774 19.453 4.087 741 HZ2 LYS 95 2HZ LYS 95 -1.621 17.792 4.368 742 HZ3 LYS 95 3HZ LYS 95 -2.065 18.353 2.835 743 H ILE 96 H ILE 96 2.356 12.873 0.346 744 HA ILE 96 HA ILE 96 3.911 11.557 2.394 745 HB ILE 96 HB ILE 96 3.233 10.419 -0.309 746 HG12 ILE 96 1HG1 ILE 96 1.157 11.265 0.633 747 HG13 ILE 96 2HG1 ILE 96 1.179 9.508 0.740 748 HG21 ILE 96 1HG2 ILE 96 4.719 8.996 0.783 749 HG22 ILE 96 2HG2 ILE 96 3.992 9.292 2.361 750 HG23 ILE 96 3HG2 ILE 96 3.139 8.315 1.167 751 HD11 ILE 96 1HD1 ILE 96 0.605 9.774 2.865 752 HD12 ILE 96 2HD1 ILE 96 2.261 10.318 3.141 753 HD13 ILE 96 3HD1 ILE 96 0.985 11.496 2.833 754 H ALA 97 H ALA 97 4.375 12.421 -1.025 755 HA ALA 97 HA ALA 97 6.898 11.427 -1.457 756 HB1 ALA 97 1HB ALA 97 6.707 14.042 -2.634 757 HB2 ALA 97 2HB ALA 97 6.646 12.457 -3.408 758 HB3 ALA 97 3HB ALA 97 5.170 13.188 -2.778 759 H ASN 98 H ASN 98 6.000 14.445 0.149 760 HA ASN 98 HA ASN 98 8.751 15.228 0.541 761 HB2 ASN 98 1HB ASN 98 7.058 16.952 0.214 762 HB3 ASN 98 2HB ASN 98 6.176 16.387 1.630 763 HD21 ASN 98 1HD2 ASN 98 9.559 17.180 0.891 764 HD22 ASN 98 2HD2 ASN 98 9.786 18.225 2.248 765 H GLU 99 H GLU 99 6.092 14.705 2.864 766 HA GLU 99 HA GLU 99 7.448 14.571 5.191 767 HB2 GLU 99 1HB GLU 99 5.152 12.865 4.245 768 HB3 GLU 99 2HB GLU 99 5.768 12.769 5.889 769 HG2 GLU 99 1HG GLU 99 4.997 15.418 4.764 770 HG3 GLU 99 2HG GLU 99 3.748 14.307 5.323 771 H LEU 100 H LEU 100 7.033 11.829 2.963 772 HA LEU 100 HA LEU 100 8.185 9.764 4.209 773 HB2 LEU 100 1HB LEU 100 8.369 10.727 1.408 774 HB3 LEU 100 2HB LEU 100 9.433 9.408 1.891 775 HG LEU 100 HG LEU 100 6.418 9.416 1.921 776 HD11 LEU 100 1HD1 LEU 100 7.008 8.991 -0.261 777 HD12 LEU 100 2HD1 LEU 100 6.976 7.363 0.415 778 HD13 LEU 100 3HD1 LEU 100 8.515 8.192 0.187 779 HD21 LEU 100 1HD2 LEU 100 8.414 7.489 3.060 780 HD22 LEU 100 2HD2 LEU 100 6.816 6.956 2.536 781 HD23 LEU 100 3HD2 LEU 100 6.969 8.165 3.812 782 H LYS 101 H LYS 101 9.825 9.818 5.607 783 HA LYS 101 HA LYS 101 12.093 11.545 5.264 784 HB2 LYS 101 1HB LYS 101 11.378 9.419 7.275 785 HB3 LYS 101 2HB LYS 101 12.942 10.223 7.292 786 HG2 LYS 101 1HG LYS 101 10.424 11.831 7.309 787 HG3 LYS 101 2HG LYS 101 11.038 11.108 8.798 788 HD2 LYS 101 1HD LYS 101 13.273 12.216 8.166 789 HD3 LYS 101 2HD LYS 101 12.314 13.185 7.045 790 HE2 LYS 101 1HE LYS 101 10.824 13.649 9.114 791 HE3 LYS 101 2HE LYS 101 12.223 13.104 10.038 792 HZ1 LYS 101 1HZ LYS 101 12.194 15.514 9.734 793 HZ2 LYS 101 2HZ LYS 101 12.244 15.316 8.056 794 HZ3 LYS 101 3HZ LYS 101 13.552 14.816 9.005 795 H LEU 102 H LEU 102 12.106 10.174 3.008 796 HA LEU 102 HA LEU 102 14.358 8.310 3.331 797 HB2 LEU 102 1HB LEU 102 12.450 7.910 1.088 798 HB3 LEU 102 2HB LEU 102 13.473 6.741 1.919 799 HG LEU 102 HG LEU 102 11.077 7.953 3.262 800 HD11 LEU 102 1HD1 LEU 102 9.909 5.817 2.570 801 HD12 LEU 102 2HD1 LEU 102 11.174 5.631 1.356 802 HD13 LEU 102 3HD1 LEU 102 10.114 7.040 1.316 803 HD21 LEU 102 1HD2 LEU 102 11.237 5.567 4.307 804 HD22 LEU 102 2HD2 LEU 102 12.319 6.848 4.854 805 HD23 LEU 102 3HD2 LEU 102 12.897 5.631 3.715 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 9.712 13.177 -20.346 2 HA2 GLY 1 1HA GLY 1 10.941 11.801 -18.268 3 HA3 GLY 1 2HA GLY 1 11.159 11.435 -19.973 4 H SER 2 H SER 2 13.335 10.828 -19.436 5 HA SER 2 HA SER 2 15.123 13.008 -18.664 6 HB2 SER 2 1HB SER 2 15.625 10.044 -19.016 7 HB3 SER 2 2HB SER 2 16.850 11.214 -18.526 8 HG SER 2 HG SER 2 15.845 11.493 -16.619 9 H SER 3 H SER 3 16.768 13.774 -19.950 10 HA SER 3 HA SER 3 17.572 14.549 -21.953 11 HB2 SER 3 1HB SER 3 17.861 11.555 -22.124 12 HB3 SER 3 2HB SER 3 18.479 12.613 -23.392 13 HG SER 3 HG SER 3 19.490 13.736 -21.440 14 H GLY 4 H GLY 4 14.801 14.574 -21.977 15 HA2 GLY 4 1HA GLY 4 12.931 14.372 -23.346 16 HA3 GLY 4 2HA GLY 4 14.048 15.104 -24.488 17 H SER 5 H SER 5 12.683 12.072 -23.354 18 HA SER 5 HA SER 5 13.332 10.895 -25.971 19 HB2 SER 5 1HB SER 5 14.859 9.955 -24.284 20 HB3 SER 5 2HB SER 5 13.476 9.466 -23.304 21 HG SER 5 HG SER 5 12.863 8.333 -25.410 22 H SER 6 H SER 6 11.765 9.624 -26.892 23 HA SER 6 HA SER 6 9.105 10.130 -26.338 24 HB2 SER 6 1HB SER 6 8.571 8.542 -27.984 25 HB3 SER 6 2HB SER 6 10.190 9.076 -28.437 26 HG SER 6 HG SER 6 10.791 7.161 -26.976 27 H GLY 7 H GLY 7 7.468 8.239 -25.935 28 HA2 GLY 7 1HA GLY 7 6.568 6.718 -24.465 29 HA3 GLY 7 2HA GLY 7 8.206 6.171 -24.139 30 H ARG 8 H ARG 8 5.854 6.686 -22.361 31 HA ARG 8 HA ARG 8 7.219 8.508 -20.493 32 HB2 ARG 8 1HB ARG 8 4.240 8.207 -20.913 33 HB3 ARG 8 2HB ARG 8 4.986 9.168 -19.643 34 HG2 ARG 8 1HG ARG 8 5.597 9.674 -22.531 35 HG3 ARG 8 2HG ARG 8 4.167 10.361 -21.756 36 HD2 ARG 8 1HD ARG 8 5.939 11.089 -19.939 37 HD3 ARG 8 2HD ARG 8 7.049 10.944 -21.301 38 HE ARG 8 HE ARG 8 6.077 12.798 -22.267 39 HH11 ARG 8 1HH1 ARG 8 4.194 11.749 -19.533 40 HH12 ARG 8 2HH1 ARG 8 3.210 13.174 -19.499 41 HH21 ARG 8 1HH2 ARG 8 4.788 14.679 -22.232 42 HH22 ARG 8 2HH2 ARG 8 3.548 14.840 -21.035 43 H PHE 9 H PHE 9 7.868 7.497 -18.722 44 HA PHE 9 HA PHE 9 7.516 4.872 -18.078 45 HB2 PHE 9 1HB PHE 9 7.979 7.248 -16.279 46 HB3 PHE 9 2HB PHE 9 7.989 5.595 -15.674 47 HD1 PHE 9 HD1 PHE 9 9.662 3.971 -16.629 48 HD2 PHE 9 HD2 PHE 9 9.862 8.166 -17.320 49 HE1 PHE 9 HE1 PHE 9 12.027 3.749 -17.268 50 HE2 PHE 9 HE2 PHE 9 12.227 7.951 -17.961 51 HZ PHE 9 HZ PHE 9 13.313 5.740 -17.936 52 H THR 10 H THR 10 6.021 3.625 -17.099 53 HA THR 10 HA THR 10 3.348 4.337 -17.039 54 HB THR 10 HB THR 10 4.663 2.208 -15.340 55 HG1 THR 10 HG1 THR 10 4.173 0.857 -17.125 56 HG21 THR 10 1HG2 THR 10 1.965 3.092 -15.505 57 HG22 THR 10 2HG2 THR 10 2.620 1.730 -14.596 58 HG23 THR 10 3HG2 THR 10 2.068 1.499 -16.255 59 H TRP 11 H TRP 11 5.693 4.314 -14.378 60 HA TRP 11 HA TRP 11 3.842 6.022 -12.854 61 HB2 TRP 11 1HB TRP 11 5.366 3.603 -11.939 62 HB3 TRP 11 2HB TRP 11 4.969 4.883 -10.796 63 HD1 TRP 11 HD1 TRP 11 2.024 5.391 -12.291 64 HE1 TRP 11 HE1 TRP 11 0.134 3.754 -11.679 65 HE3 TRP 11 HE3 TRP 11 4.846 1.538 -10.467 66 HZ2 TRP 11 HZ2 TRP 11 -0.126 1.172 -10.570 67 HZ3 TRP 11 HZ3 TRP 11 3.699 -0.480 -9.650 68 HH2 TRP 11 HH2 TRP 11 1.265 -0.657 -9.701 69 H SER 12 H SER 12 4.705 7.829 -12.008 70 HA SER 12 HA SER 12 7.441 8.469 -12.679 71 HB2 SER 12 1HB SER 12 5.679 10.149 -12.992 72 HB3 SER 12 2HB SER 12 5.325 10.113 -11.265 73 HG SER 12 HG SER 12 6.701 11.758 -11.396 74 H MET 13 H MET 13 8.896 7.478 -11.390 75 HA MET 13 HA MET 13 8.473 7.365 -8.515 76 HB2 MET 13 1HB MET 13 9.438 5.462 -9.926 77 HB3 MET 13 2HB MET 13 10.913 6.415 -10.005 78 HG2 MET 13 1HG MET 13 11.009 4.719 -8.255 79 HG3 MET 13 2HG MET 13 11.126 6.351 -7.600 80 HE1 MET 13 1HE MET 13 9.154 6.620 -5.004 81 HE2 MET 13 2HE MET 13 9.768 7.501 -6.403 82 HE3 MET 13 3HE MET 13 8.030 7.279 -6.193 83 H LYS 14 H LYS 14 8.552 9.710 -8.264 84 HA LYS 14 HA LYS 14 11.020 11.095 -8.766 85 HB2 LYS 14 1HB LYS 14 9.945 12.990 -7.666 86 HB3 LYS 14 2HB LYS 14 8.863 12.266 -8.848 87 HG2 LYS 14 1HG LYS 14 7.936 10.948 -6.815 88 HG3 LYS 14 2HG LYS 14 8.708 12.222 -5.867 89 HD2 LYS 14 1HD LYS 14 7.372 13.899 -6.843 90 HD3 LYS 14 2HD LYS 14 6.843 12.832 -8.145 91 HE2 LYS 14 1HE LYS 14 5.428 11.619 -6.726 92 HE3 LYS 14 2HE LYS 14 6.212 12.235 -5.273 93 HZ1 LYS 14 1HZ LYS 14 4.067 13.278 -5.619 94 HZ2 LYS 14 2HZ LYS 14 4.544 13.825 -7.147 95 HZ3 LYS 14 3HZ LYS 14 5.304 14.424 -5.759 96 H THR 15 H THR 15 9.550 9.427 -6.081 97 HA THR 15 HA THR 15 11.541 10.405 -4.198 98 HB THR 15 HB THR 15 9.253 8.463 -3.833 99 HG1 THR 15 HG1 THR 15 9.035 10.933 -4.100 100 HG21 THR 15 1HG2 THR 15 10.194 7.832 -1.915 101 HG22 THR 15 2HG2 THR 15 10.158 9.507 -1.365 102 HG23 THR 15 3HG2 THR 15 11.572 8.890 -2.218 103 H THR 16 H THR 16 13.482 9.494 -4.172 104 HA THR 16 HA THR 16 13.681 6.594 -4.669 105 HB THR 16 HB THR 16 16.073 7.092 -5.352 106 HG1 THR 16 HG1 THR 16 16.188 9.385 -6.176 107 HG21 THR 16 1HG2 THR 16 15.463 7.245 -7.551 108 HG22 THR 16 2HG2 THR 16 14.288 8.525 -7.250 109 HG23 THR 16 3HG2 THR 16 13.894 6.854 -6.850 110 H SER 17 H SER 17 14.344 5.418 -3.002 111 HA SER 17 HA SER 17 15.500 6.768 -0.684 112 HB2 SER 17 1HB SER 17 14.515 3.919 -0.970 113 HB3 SER 17 2HB SER 17 14.997 4.704 0.533 114 HG SER 17 HG SER 17 12.884 5.594 -1.139 115 H SER 18 H SER 18 17.031 5.058 0.563 116 HA SER 18 HA SER 18 19.084 4.207 -1.372 117 HB2 SER 18 1HB SER 18 20.789 4.888 0.338 118 HB3 SER 18 2HB SER 18 19.878 6.237 -0.339 119 HG SER 18 HG SER 18 19.952 5.276 2.232 120 H MET 19 H MET 19 17.902 3.830 1.959 121 HA MET 19 HA MET 19 19.322 1.467 2.530 122 HB2 MET 19 1HB MET 19 18.038 1.323 4.485 123 HB3 MET 19 2HB MET 19 18.100 3.047 4.146 124 HG2 MET 19 1HG MET 19 15.814 1.363 3.202 125 HG3 MET 19 2HG MET 19 15.863 2.012 4.839 126 HE1 MET 19 1HE MET 19 13.452 3.904 2.124 127 HE2 MET 19 2HE MET 19 13.765 2.260 2.681 128 HE3 MET 19 3HE MET 19 13.272 3.503 3.832 129 H ASP 20 H ASP 20 18.015 -0.603 3.159 130 HA ASP 20 HA ASP 20 17.055 -1.730 0.746 131 HB2 ASP 20 1HB ASP 20 17.370 -2.655 3.559 132 HB3 ASP 20 2HB ASP 20 16.287 -3.573 2.517 133 HA PRO 21 HA PRO 21 12.730 -1.008 0.824 134 HB2 PRO 21 1HB PRO 21 11.717 -3.388 -0.001 135 HB3 PRO 21 2HB PRO 21 12.576 -2.284 -1.081 136 HG2 PRO 21 1HG PRO 21 13.585 -4.730 0.318 137 HG3 PRO 21 2HG PRO 21 13.867 -4.199 -1.350 138 HD2 PRO 21 1HD PRO 21 15.688 -3.839 0.621 139 HD3 PRO 21 2HD PRO 21 15.505 -2.701 -0.729 140 H SER 22 H SER 22 13.984 -3.673 2.681 141 HA SER 22 HA SER 22 11.696 -4.570 3.977 142 HB2 SER 22 1HB SER 22 13.945 -5.632 4.139 143 HB3 SER 22 2HB SER 22 14.458 -4.313 5.192 144 HG SER 22 HG SER 22 12.664 -4.957 6.577 145 H ASP 23 H ASP 23 13.282 -1.558 4.217 146 HA ASP 23 HA ASP 23 12.217 -0.930 6.845 147 HB2 ASP 23 1HB ASP 23 13.828 0.676 4.856 148 HB3 ASP 23 2HB ASP 23 13.255 1.325 6.390 149 H MET 24 H MET 24 11.685 -0.012 3.471 150 HA MET 24 HA MET 24 9.896 2.044 3.726 151 HB2 MET 24 1HB MET 24 9.907 -0.231 1.742 152 HB3 MET 24 2HB MET 24 8.861 1.174 1.592 153 HG2 MET 24 1HG MET 24 11.774 1.629 1.922 154 HG3 MET 24 2HG MET 24 11.191 1.029 0.372 155 HE1 MET 24 1HE MET 24 11.813 3.098 -1.138 156 HE2 MET 24 2HE MET 24 10.224 2.382 -1.407 157 HE3 MET 24 3HE MET 24 10.412 4.136 -1.408 158 H MET 25 H MET 25 8.907 -1.366 3.333 159 HA MET 25 HA MET 25 6.255 -1.242 3.717 160 HB2 MET 25 1HB MET 25 8.300 -3.220 4.585 161 HB3 MET 25 2HB MET 25 6.677 -3.401 5.237 162 HG2 MET 25 1HG MET 25 6.969 -3.022 2.309 163 HG3 MET 25 2HG MET 25 7.428 -4.576 3.000 164 HE1 MET 25 1HE MET 25 4.418 -1.909 3.285 165 HE2 MET 25 2HE MET 25 4.751 -2.414 1.628 166 HE3 MET 25 3HE MET 25 3.244 -2.892 2.411 167 H ARG 26 H ARG 26 8.669 -0.593 6.137 168 HA ARG 26 HA ARG 26 6.699 -0.503 8.279 169 HB2 ARG 26 1HB ARG 26 9.130 -1.373 8.476 170 HB3 ARG 26 2HB ARG 26 9.575 0.327 8.536 171 HG2 ARG 26 1HG ARG 26 8.508 0.666 10.570 172 HG3 ARG 26 2HG ARG 26 7.509 -0.778 10.395 173 HD2 ARG 26 1HD ARG 26 9.825 -2.004 10.415 174 HD3 ARG 26 2HD ARG 26 10.367 -0.528 11.214 175 HE ARG 26 HE ARG 26 8.001 -1.626 12.394 176 HH11 ARG 26 1HH1 ARG 26 11.475 -1.831 12.295 177 HH12 ARG 26 2HH1 ARG 26 11.611 -2.502 13.887 178 HH21 ARG 26 1HH2 ARG 26 8.168 -2.509 14.491 179 HH22 ARG 26 2HH2 ARG 26 9.729 -2.888 15.135 180 H GLU 27 H GLU 27 8.784 1.686 6.446 181 HA GLU 27 HA GLU 27 8.143 4.033 7.881 182 HB2 GLU 27 1HB GLU 27 10.090 3.726 6.310 183 HB3 GLU 27 2HB GLU 27 8.953 3.865 4.977 184 HG2 GLU 27 1HG GLU 27 10.128 5.964 5.435 185 HG3 GLU 27 2HG GLU 27 8.383 6.111 5.637 186 H ILE 28 H ILE 28 6.881 2.740 4.814 187 HA ILE 28 HA ILE 28 5.109 4.661 4.078 188 HB ILE 28 HB ILE 28 4.632 1.680 4.024 189 HG12 ILE 28 1HG1 ILE 28 5.675 3.576 1.909 190 HG13 ILE 28 2HG1 ILE 28 6.654 2.439 2.829 191 HG21 ILE 28 1HG2 ILE 28 2.535 2.904 3.790 192 HG22 ILE 28 2HG2 ILE 28 3.235 3.869 2.492 193 HG23 ILE 28 3HG2 ILE 28 2.993 2.136 2.271 194 HD11 ILE 28 1HD1 ILE 28 6.333 1.038 1.138 195 HD12 ILE 28 2HD1 ILE 28 4.690 0.848 1.750 196 HD13 ILE 28 3HD1 ILE 28 5.025 2.014 0.470 197 H ARG 29 H ARG 29 4.452 2.065 6.423 198 HA ARG 29 HA ARG 29 1.834 2.973 7.050 199 HB2 ARG 29 1HB ARG 29 3.688 1.212 8.665 200 HB3 ARG 29 2HB ARG 29 1.959 1.398 8.928 201 HG2 ARG 29 1HG ARG 29 1.558 0.472 6.670 202 HG3 ARG 29 2HG ARG 29 3.293 0.193 6.514 203 HD2 ARG 29 1HD ARG 29 1.640 -0.934 8.763 204 HD3 ARG 29 2HD ARG 29 1.907 -1.790 7.245 205 HE ARG 29 HE ARG 29 4.345 -0.934 8.473 206 HH11 ARG 29 1HH1 ARG 29 1.893 -3.405 8.474 207 HH12 ARG 29 2HH1 ARG 29 2.939 -4.626 9.119 208 HH21 ARG 29 1HH2 ARG 29 5.732 -2.533 9.323 209 HH22 ARG 29 2HH2 ARG 29 5.122 -4.129 9.603 210 H LYS 30 H LYS 30 5.021 3.565 8.413 211 HA LYS 30 HA LYS 30 4.223 4.834 10.788 212 HB2 LYS 30 1HB LYS 30 6.590 4.065 9.879 213 HB3 LYS 30 2HB LYS 30 6.681 5.743 9.358 214 HG2 LYS 30 1HG LYS 30 6.071 6.334 11.769 215 HG3 LYS 30 2HG LYS 30 6.468 4.654 12.142 216 HD2 LYS 30 1HD LYS 30 8.488 5.699 12.521 217 HD3 LYS 30 2HD LYS 30 8.670 5.187 10.841 218 HE2 LYS 30 1HE LYS 30 9.420 7.440 10.976 219 HE3 LYS 30 2HE LYS 30 7.857 7.461 10.161 220 HZ1 LYS 30 1HZ LYS 30 8.145 9.207 11.882 221 HZ2 LYS 30 2HZ LYS 30 8.210 7.994 13.058 222 HZ3 LYS 30 3HZ LYS 30 6.804 8.208 12.142 223 H VAL 31 H VAL 31 5.515 6.429 7.868 224 HA VAL 31 HA VAL 31 4.936 9.025 8.469 225 HB VAL 31 HB VAL 31 4.669 7.726 5.754 226 HG11 VAL 31 1HG1 VAL 31 4.434 10.520 6.666 227 HG12 VAL 31 2HG1 VAL 31 5.436 10.254 5.237 228 HG13 VAL 31 3HG1 VAL 31 3.752 9.726 5.247 229 HG21 VAL 31 1HG2 VAL 31 6.940 8.407 7.429 230 HG22 VAL 31 2HG2 VAL 31 6.872 7.427 5.965 231 HG23 VAL 31 3HG2 VAL 31 7.018 9.181 5.846 232 H LEU 32 H LEU 32 2.783 6.946 6.520 233 HA LEU 32 HA LEU 32 0.618 8.621 6.334 234 HB2 LEU 32 1HB LEU 32 0.576 5.629 6.698 235 HB3 LEU 32 2HB LEU 32 -0.764 6.601 6.094 236 HG LEU 32 HG LEU 32 1.881 6.560 4.678 237 HD11 LEU 32 1HD1 LEU 32 -0.401 4.674 4.131 238 HD12 LEU 32 2HD1 LEU 32 1.062 4.224 5.006 239 HD13 LEU 32 3HD1 LEU 32 1.164 4.736 3.321 240 HD21 LEU 32 1HD2 LEU 32 0.190 8.287 4.127 241 HD22 LEU 32 2HD2 LEU 32 -0.936 7.000 3.695 242 HD23 LEU 32 3HD2 LEU 32 0.556 7.212 2.778 243 H GLY 33 H GLY 33 1.143 6.161 8.867 244 HA2 GLY 33 1HA GLY 33 -1.057 6.472 10.422 245 HA3 GLY 33 2HA GLY 33 0.543 6.207 11.098 246 H ALA 34 H ALA 34 1.671 8.700 10.253 247 HA ALA 34 HA ALA 34 0.804 10.337 12.422 248 HB1 ALA 34 1HB ALA 34 2.887 10.534 10.309 249 HB2 ALA 34 2HB ALA 34 2.418 12.002 11.167 250 HB3 ALA 34 3HB ALA 34 3.043 10.618 12.064 251 H ASN 35 H ASN 35 0.435 10.484 8.908 252 HA ASN 35 HA ASN 35 -1.023 12.978 9.034 253 HB2 ASN 35 1HB ASN 35 -0.401 11.094 6.752 254 HB3 ASN 35 2HB ASN 35 -1.312 12.589 6.562 255 HD21 ASN 35 1HD2 ASN 35 1.780 11.163 6.968 256 HD22 ASN 35 2HD2 ASN 35 2.711 12.613 6.840 257 H ASN 36 H ASN 36 -2.239 11.041 10.605 258 HA ASN 36 HA ASN 36 -4.134 9.739 10.860 259 HB2 ASN 36 1HB ASN 36 -4.884 12.036 11.237 260 HB3 ASN 36 2HB ASN 36 -5.201 12.231 9.515 261 HD21 ASN 36 1HD2 ASN 36 -5.946 9.763 11.957 262 HD22 ASN 36 2HD2 ASN 36 -7.637 9.688 11.609 263 H CYS 37 H CYS 37 -2.747 9.013 8.476 264 HA CYS 37 HA CYS 37 -4.880 8.573 6.520 265 HB2 CYS 37 1HB CYS 37 -1.885 8.341 6.417 266 HB3 CYS 37 2HB CYS 37 -2.889 7.570 5.195 267 HG CYS 37 HG CYS 37 -2.144 10.813 5.618 268 H ASP 38 H ASP 38 -5.341 6.477 5.708 269 HA ASP 38 HA ASP 38 -4.752 4.338 7.643 270 HB2 ASP 38 1HB ASP 38 -7.160 5.022 6.027 271 HB3 ASP 38 2HB ASP 38 -6.837 3.317 6.330 272 H TYR 39 H TYR 39 -3.796 2.495 6.988 273 HA TYR 39 HA TYR 39 -3.444 2.057 4.102 274 HB2 TYR 39 1HB TYR 39 -1.096 1.194 4.758 275 HB3 TYR 39 2HB TYR 39 -1.346 2.933 4.651 276 HD1 TYR 39 HD2 TYR 39 -0.992 0.099 6.995 277 HD2 TYR 39 HD1 TYR 39 -1.099 4.330 6.560 278 HE1 TYR 39 HE2 TYR 39 -0.177 0.351 9.302 279 HE2 TYR 39 HE1 TYR 39 -0.283 4.594 8.865 280 HH TYR 39 HH TYR 39 -0.450 2.901 11.081 281 H GLU 40 H GLU 40 -3.974 0.070 3.481 282 HA GLU 40 HA GLU 40 -4.102 -2.042 5.533 283 HB2 GLU 40 1HB GLU 40 -5.917 -1.392 3.236 284 HB3 GLU 40 2HB GLU 40 -5.824 -3.039 3.844 285 HG2 GLU 40 1HG GLU 40 -6.335 -0.765 5.712 286 HG3 GLU 40 2HG GLU 40 -7.644 -1.450 4.751 287 H GLN 41 H GLN 41 -3.154 -3.974 5.124 288 HA GLN 41 HA GLN 41 -1.206 -4.106 3.051 289 HB2 GLN 41 1HB GLN 41 -1.127 -5.184 5.384 290 HB3 GLN 41 2HB GLN 41 -2.132 -6.451 4.694 291 HG2 GLN 41 1HG GLN 41 -0.096 -7.380 4.357 292 HG3 GLN 41 2HG GLN 41 -0.232 -6.460 2.859 293 HE21 GLN 41 1HE2 GLN 41 2.118 -6.661 2.884 294 HE22 GLN 41 2HE2 GLN 41 3.043 -5.505 3.773 295 H ARG 42 H ARG 42 -1.999 -4.180 1.015 296 HA ARG 42 HA ARG 42 -4.183 -5.986 0.360 297 HB2 ARG 42 1HB ARG 42 -2.627 -4.188 -1.502 298 HB3 ARG 42 2HB ARG 42 -4.186 -4.941 -1.807 299 HG2 ARG 42 1HG ARG 42 -3.873 -3.058 0.486 300 HG3 ARG 42 2HG ARG 42 -4.060 -2.434 -1.154 301 HD2 ARG 42 1HD ARG 42 -5.949 -4.419 0.094 302 HD3 ARG 42 2HD ARG 42 -6.189 -2.674 0.168 303 HE ARG 42 HE ARG 42 -5.863 -3.203 -2.488 304 HH11 ARG 42 1HH1 ARG 42 -7.995 -4.365 0.007 305 HH12 ARG 42 2HH1 ARG 42 -9.306 -4.682 -1.080 306 HH21 ARG 42 1HH2 ARG 42 -7.582 -3.616 -3.929 307 HH22 ARG 42 2HH2 ARG 42 -9.070 -4.257 -3.319 308 H GLU 43 H GLU 43 -0.944 -5.363 -1.010 309 HA GLU 43 HA GLU 43 -0.834 -8.199 -1.788 310 HB2 GLU 43 1HB GLU 43 0.980 -6.080 -2.899 311 HB3 GLU 43 2HB GLU 43 0.524 -7.624 -3.606 312 HG2 GLU 43 1HG GLU 43 -1.532 -5.503 -3.167 313 HG3 GLU 43 2HG GLU 43 -0.461 -5.437 -4.566 314 H ARG 44 H ARG 44 1.685 -8.784 -2.096 315 HA ARG 44 HA ARG 44 2.721 -9.280 0.393 316 HB2 ARG 44 1HB ARG 44 3.484 -10.359 -1.702 317 HB3 ARG 44 2HB ARG 44 4.325 -8.877 -2.138 318 HG2 ARG 44 1HG ARG 44 5.761 -9.104 -0.181 319 HG3 ARG 44 2HG ARG 44 4.908 -10.580 0.275 320 HD2 ARG 44 1HD ARG 44 6.261 -10.260 -2.389 321 HD3 ARG 44 2HD ARG 44 7.117 -10.848 -0.964 322 HE ARG 44 HE ARG 44 5.021 -12.496 -1.035 323 HH11 ARG 44 1HH1 ARG 44 7.192 -11.446 -3.546 324 HH12 ARG 44 2HH1 ARG 44 7.054 -12.913 -4.459 325 HH21 ARG 44 1HH2 ARG 44 4.831 -14.431 -2.227 326 HH22 ARG 44 2HH2 ARG 44 5.710 -14.609 -3.708 327 H PHE 45 H PHE 45 3.862 -6.723 -1.821 328 HA PHE 45 HA PHE 45 4.805 -5.242 0.546 329 HB2 PHE 45 1HB PHE 45 6.079 -5.719 -2.110 330 HB3 PHE 45 2HB PHE 45 6.371 -4.177 -1.311 331 HD1 PHE 45 HD1 PHE 45 6.917 -7.788 -1.179 332 HD2 PHE 45 HD2 PHE 45 7.653 -4.055 0.730 333 HE1 PHE 45 HE1 PHE 45 8.665 -8.840 0.197 334 HE2 PHE 45 HE2 PHE 45 9.403 -5.101 2.108 335 HZ PHE 45 HZ PHE 45 9.912 -7.496 1.842 336 H LEU 46 H LEU 46 2.186 -5.109 -0.703 337 HA LEU 46 HA LEU 46 2.247 -2.320 -1.653 338 HB2 LEU 46 1HB LEU 46 1.523 -4.133 -3.296 339 HB3 LEU 46 2HB LEU 46 0.081 -4.301 -2.296 340 HG LEU 46 HG LEU 46 0.818 -1.629 -3.423 341 HD11 LEU 46 1HD1 LEU 46 0.702 -3.639 -5.146 342 HD12 LEU 46 2HD1 LEU 46 0.012 -2.057 -5.505 343 HD13 LEU 46 3HD1 LEU 46 -1.030 -3.370 -4.956 344 HD21 LEU 46 1HD2 LEU 46 -1.108 -1.061 -2.484 345 HD22 LEU 46 2HD2 LEU 46 -1.303 -2.708 -1.883 346 HD23 LEU 46 3HD2 LEU 46 -1.953 -2.261 -3.462 347 H LEU 47 H LEU 47 0.343 -1.033 -1.113 348 HA LEU 47 HA LEU 47 -1.346 -1.981 1.042 349 HB2 LEU 47 1HB LEU 47 0.421 0.424 1.452 350 HB3 LEU 47 2HB LEU 47 -0.745 -0.238 2.596 351 HG LEU 47 HG LEU 47 1.632 -1.826 1.672 352 HD11 LEU 47 1HD1 LEU 47 1.536 0.451 3.540 353 HD12 LEU 47 2HD1 LEU 47 2.885 -0.209 2.616 354 HD13 LEU 47 3HD1 LEU 47 2.378 -0.989 4.114 355 HD21 LEU 47 1HD2 LEU 47 -0.591 -2.242 3.444 356 HD22 LEU 47 2HD2 LEU 47 0.929 -2.350 4.331 357 HD23 LEU 47 3HD2 LEU 47 0.654 -3.377 2.923 358 H PHE 48 H PHE 48 -3.101 -0.525 1.526 359 HA PHE 48 HA PHE 48 -3.760 1.166 -0.776 360 HB2 PHE 48 1HB PHE 48 -5.266 -0.762 0.082 361 HB3 PHE 48 2HB PHE 48 -5.704 0.356 1.369 362 HD1 PHE 48 HD2 PHE 48 -5.364 0.375 -2.349 363 HD2 PHE 48 HD1 PHE 48 -7.608 1.584 1.059 364 HE1 PHE 48 HE2 PHE 48 -7.040 1.409 -3.824 365 HE2 PHE 48 HE1 PHE 48 -9.289 2.619 -0.410 366 HZ PHE 48 HZ PHE 48 -9.006 2.533 -2.855 367 H CYS 49 H CYS 49 -2.891 3.139 -0.362 368 HA CYS 49 HA CYS 49 -2.954 4.356 2.224 369 HB2 CYS 49 1HB CYS 49 -2.408 5.639 -0.460 370 HB3 CYS 49 2HB CYS 49 -2.003 6.306 1.117 371 HG CYS 49 HG CYS 49 -0.632 3.474 -0.233 372 H VAL 50 H VAL 50 -4.491 5.568 3.121 373 HA VAL 50 HA VAL 50 -6.573 6.724 1.394 374 HB VAL 50 HB VAL 50 -7.054 5.243 3.982 375 HG11 VAL 50 1HG1 VAL 50 -9.146 6.484 2.217 376 HG12 VAL 50 2HG1 VAL 50 -9.325 5.848 3.853 377 HG13 VAL 50 3HG1 VAL 50 -8.430 7.343 3.580 378 HG21 VAL 50 1HG2 VAL 50 -8.681 4.175 2.040 379 HG22 VAL 50 2HG2 VAL 50 -7.180 4.491 1.169 380 HG23 VAL 50 3HG2 VAL 50 -7.166 3.478 2.613 381 H HIS 51 H HIS 51 -7.134 8.771 1.866 382 HA HIS 51 HA HIS 51 -6.453 9.888 4.480 383 HB2 HIS 51 1HB HIS 51 -4.544 10.289 2.867 384 HB3 HIS 51 2HB HIS 51 -5.650 11.285 1.926 385 HD1 HIS 51 HD1 HIS 51 -5.033 13.639 2.343 386 HD2 HIS 51 HD2 HIS 51 -4.920 11.375 5.825 387 HE1 HIS 51 HE1 HIS 51 -4.486 15.263 4.183 388 HE2 HIS 51 HE2 HIS 51 -4.339 13.856 6.268 389 H GLY 52 H GLY 52 -7.677 11.699 5.076 390 HA2 GLY 52 1HA GLY 52 -9.701 12.654 3.191 391 HA3 GLY 52 2HA GLY 52 -10.271 11.880 4.662 392 H ASP 53 H ASP 53 -7.942 14.397 3.682 393 HA ASP 53 HA ASP 53 -8.352 15.810 6.174 394 HB2 ASP 53 1HB ASP 53 -6.113 15.799 5.310 395 HB3 ASP 53 2HB ASP 53 -6.656 16.400 3.745 396 H GLY 54 H GLY 54 -10.764 15.683 5.032 397 HA2 GLY 54 1HA GLY 54 -11.639 18.314 4.906 398 HA3 GLY 54 2HA GLY 54 -11.379 17.802 3.245 399 H HIS 55 H HIS 55 -13.262 17.328 2.339 400 HA HIS 55 HA HIS 55 -15.447 16.281 3.942 401 HB2 HIS 55 1HB HIS 55 -15.446 16.850 0.976 402 HB3 HIS 55 2HB HIS 55 -16.843 16.695 2.038 403 HD1 HIS 55 HD1 HIS 55 -17.506 18.741 3.425 404 HD2 HIS 55 HD2 HIS 55 -14.082 19.317 1.143 405 HE1 HIS 55 HE1 HIS 55 -17.048 21.212 3.512 406 HE2 HIS 55 HE2 HIS 55 -15.022 21.548 2.055 407 H ALA 56 H ALA 56 -16.705 14.416 3.188 408 HA ALA 56 HA ALA 56 -14.972 12.192 2.630 409 HB1 ALA 56 1HB ALA 56 -17.974 12.113 2.782 410 HB2 ALA 56 2HB ALA 56 -16.827 10.809 3.096 411 HB3 ALA 56 3HB ALA 56 -16.945 12.169 4.213 412 H GLU 57 H GLU 57 -16.342 14.432 0.662 413 HA GLU 57 HA GLU 57 -16.927 12.552 -1.510 414 HB2 GLU 57 1HB GLU 57 -17.958 14.418 -2.657 415 HB3 GLU 57 2HB GLU 57 -18.593 14.315 -1.021 416 HG2 GLU 57 1HG GLU 57 -17.593 16.253 -0.356 417 HG3 GLU 57 2HG GLU 57 -16.274 16.101 -1.516 418 H ASN 58 H ASN 58 -14.375 14.295 -0.311 419 HA ASN 58 HA ASN 58 -13.119 14.485 -2.971 420 HB2 ASN 58 1HB ASN 58 -12.070 16.457 -2.410 421 HB3 ASN 58 2HB ASN 58 -13.560 16.630 -1.486 422 HD21 ASN 58 1HD2 ASN 58 -13.492 15.993 0.777 423 HD22 ASN 58 2HD2 ASN 58 -12.024 16.210 1.662 424 H LEU 59 H LEU 59 -13.253 12.372 -0.723 425 HA LEU 59 HA LEU 59 -10.706 12.086 0.412 426 HB2 LEU 59 1HB LEU 59 -12.916 10.842 0.902 427 HB3 LEU 59 2HB LEU 59 -12.404 9.747 -0.380 428 HG LEU 59 HG LEU 59 -10.706 10.315 2.039 429 HD11 LEU 59 1HD1 LEU 59 -12.597 9.406 3.038 430 HD12 LEU 59 2HD1 LEU 59 -11.579 7.997 2.738 431 HD13 LEU 59 3HD1 LEU 59 -12.935 8.349 1.667 432 HD21 LEU 59 1HD2 LEU 59 -10.402 8.787 -0.380 433 HD22 LEU 59 2HD2 LEU 59 -10.318 7.735 1.033 434 HD23 LEU 59 3HD2 LEU 59 -9.228 9.115 0.895 435 H VAL 60 H VAL 60 -8.954 10.729 -0.150 436 HA VAL 60 HA VAL 60 -8.809 10.040 -3.013 437 HB VAL 60 HB VAL 60 -6.688 11.279 -1.266 438 HG11 VAL 60 1HG1 VAL 60 -5.265 9.907 -2.347 439 HG12 VAL 60 2HG1 VAL 60 -6.420 9.547 -3.631 440 HG13 VAL 60 3HG1 VAL 60 -5.488 11.044 -3.675 441 HG21 VAL 60 1HG2 VAL 60 -7.008 13.166 -2.436 442 HG22 VAL 60 2HG2 VAL 60 -7.186 12.304 -3.965 443 HG23 VAL 60 3HG2 VAL 60 -8.560 12.447 -2.869 444 H GLN 61 H GLN 61 -8.138 8.035 -3.504 445 HA GLN 61 HA GLN 61 -6.909 6.416 -1.378 446 HB2 GLN 61 1HB GLN 61 -9.251 5.738 -3.133 447 HB3 GLN 61 2HB GLN 61 -8.239 4.472 -2.452 448 HG2 GLN 61 1HG GLN 61 -8.920 4.890 -0.300 449 HG3 GLN 61 2HG GLN 61 -9.366 6.559 -0.652 450 HE21 GLN 61 1HE2 GLN 61 -11.289 5.839 0.592 451 HE22 GLN 61 2HE2 GLN 61 -12.592 5.124 -0.288 452 H TRP 62 H TRP 62 -5.043 5.549 -1.977 453 HA TRP 62 HA TRP 62 -4.646 4.660 -4.718 454 HB2 TRP 62 1HB TRP 62 -2.613 5.915 -5.062 455 HB3 TRP 62 2HB TRP 62 -3.906 7.042 -4.662 456 HD1 TRP 62 HD1 TRP 62 -0.437 6.266 -3.767 457 HE1 TRP 62 HE1 TRP 62 0.241 7.455 -1.587 458 HE3 TRP 62 HE3 TRP 62 -5.074 7.664 -2.129 459 HZ2 TRP 62 HZ2 TRP 62 -1.023 8.807 0.545 460 HZ3 TRP 62 HZ3 TRP 62 -5.253 8.901 -0.010 461 HH2 TRP 62 HH2 TRP 62 -3.268 9.459 1.298 462 H GLU 63 H GLU 63 -2.490 3.527 -4.943 463 HA GLU 63 HA GLU 63 -1.912 2.078 -2.445 464 HB2 GLU 63 1HB GLU 63 -1.774 1.195 -5.327 465 HB3 GLU 63 2HB GLU 63 -1.078 0.265 -4.007 466 HG2 GLU 63 1HG GLU 63 -3.247 -0.007 -2.995 467 HG3 GLU 63 2HG GLU 63 -3.980 1.034 -4.214 468 H MET 64 H MET 64 0.260 1.469 -2.001 469 HA MET 64 HA MET 64 2.317 2.905 -3.525 470 HB2 MET 64 1HB MET 64 1.838 3.025 -0.555 471 HB3 MET 64 2HB MET 64 3.413 3.382 -1.252 472 HG2 MET 64 1HG MET 64 2.407 5.167 -2.591 473 HG3 MET 64 2HG MET 64 0.840 4.817 -1.865 474 HE1 MET 64 1HE MET 64 4.537 5.761 -1.117 475 HE2 MET 64 2HE MET 64 4.463 6.348 0.544 476 HE3 MET 64 3HE MET 64 4.224 4.634 0.203 477 H GLU 65 H GLU 65 3.128 1.041 -4.428 478 HA GLU 65 HA GLU 65 3.965 -1.114 -2.631 479 HB2 GLU 65 1HB GLU 65 2.727 -1.869 -4.546 480 HB3 GLU 65 2HB GLU 65 3.755 -0.953 -5.638 481 HG2 GLU 65 1HG GLU 65 5.623 -2.393 -5.169 482 HG3 GLU 65 2HG GLU 65 4.695 -3.253 -3.942 483 H VAL 66 H VAL 66 6.096 -1.906 -2.613 484 HA VAL 66 HA VAL 66 8.096 0.109 -3.355 485 HB VAL 66 HB VAL 66 8.362 -2.242 -1.475 486 HG11 VAL 66 1HG1 VAL 66 10.335 -0.397 -0.897 487 HG12 VAL 66 2HG1 VAL 66 10.551 -1.920 -1.762 488 HG13 VAL 66 3HG1 VAL 66 10.292 -0.423 -2.659 489 HG21 VAL 66 1HG2 VAL 66 7.647 -0.954 0.207 490 HG22 VAL 66 2HG2 VAL 66 8.560 0.445 -0.360 491 HG23 VAL 66 3HG2 VAL 66 6.973 0.091 -1.045 492 H CYS 67 H CYS 67 9.912 -0.397 -4.553 493 HA CYS 67 HA CYS 67 10.648 -2.995 -5.355 494 HB2 CYS 67 1HB CYS 67 8.444 -2.610 -6.626 495 HB3 CYS 67 2HB CYS 67 9.351 -1.455 -7.595 496 HG CYS 67 HG CYS 67 10.604 -3.153 -9.100 497 H LYS 68 H LYS 68 12.258 -2.924 -7.200 498 HA LYS 68 HA LYS 68 14.011 -0.658 -6.763 499 HB2 LYS 68 1HB LYS 68 15.675 -1.955 -7.969 500 HB3 LYS 68 2HB LYS 68 14.903 -2.958 -6.748 501 HG2 LYS 68 1HG LYS 68 13.455 -3.915 -8.512 502 HG3 LYS 68 2HG LYS 68 14.356 -2.981 -9.708 503 HD2 LYS 68 1HD LYS 68 16.412 -4.133 -9.069 504 HD3 LYS 68 2HD LYS 68 15.526 -5.052 -7.850 505 HE2 LYS 68 1HE LYS 68 15.746 -6.472 -9.731 506 HE3 LYS 68 2HE LYS 68 14.074 -5.911 -9.723 507 HZ1 LYS 68 1HZ LYS 68 15.070 -4.071 -11.270 508 HZ2 LYS 68 2HZ LYS 68 14.621 -5.577 -11.895 509 HZ3 LYS 68 3HZ LYS 68 16.248 -5.248 -11.572 510 H LEU 69 H LEU 69 14.980 0.552 -8.490 511 HA LEU 69 HA LEU 69 13.083 1.083 -10.637 512 HB2 LEU 69 1HB LEU 69 15.451 2.545 -9.525 513 HB3 LEU 69 2HB LEU 69 14.745 3.000 -11.075 514 HG LEU 69 HG LEU 69 12.547 3.264 -9.800 515 HD11 LEU 69 1HD1 LEU 69 14.491 2.990 -7.530 516 HD12 LEU 69 2HD1 LEU 69 12.945 2.175 -7.765 517 HD13 LEU 69 3HD1 LEU 69 12.984 3.893 -7.368 518 HD21 LEU 69 1HD2 LEU 69 14.662 5.193 -8.912 519 HD22 LEU 69 2HD2 LEU 69 12.993 5.513 -9.383 520 HD23 LEU 69 3HD2 LEU 69 14.187 5.072 -10.606 521 HA PRO 70 HA PRO 70 15.403 -1.020 -13.730 522 HB2 PRO 70 1HB PRO 70 14.541 0.337 -15.917 523 HB3 PRO 70 2HB PRO 70 13.533 -0.828 -15.051 524 HG2 PRO 70 1HG PRO 70 13.554 2.160 -14.873 525 HG3 PRO 70 2HG PRO 70 12.170 1.053 -14.934 526 HD2 PRO 70 1HD PRO 70 13.054 2.151 -12.623 527 HD3 PRO 70 2HD PRO 70 12.324 0.535 -12.694 528 H ARG 71 H ARG 71 15.362 2.534 -13.954 529 HA ARG 71 HA ARG 71 17.877 2.588 -15.367 530 HB2 ARG 71 1HB ARG 71 16.027 4.714 -14.309 531 HB3 ARG 71 2HB ARG 71 17.607 5.113 -14.970 532 HG2 ARG 71 1HG ARG 71 15.570 3.533 -16.508 533 HG3 ARG 71 2HG ARG 71 15.633 5.296 -16.539 534 HD2 ARG 71 1HD ARG 71 16.935 4.808 -18.358 535 HD3 ARG 71 2HD ARG 71 18.165 4.870 -17.096 536 HE ARG 71 HE ARG 71 17.111 2.242 -17.437 537 HH11 ARG 71 1HH1 ARG 71 19.353 4.556 -18.754 538 HH12 ARG 71 2HH1 ARG 71 20.379 3.354 -19.464 539 HH21 ARG 71 1HH2 ARG 71 18.454 0.650 -18.366 540 HH22 ARG 71 2HH2 ARG 71 19.866 1.132 -19.244 541 H LEU 72 H LEU 72 16.717 3.377 -12.117 542 HA LEU 72 HA LEU 72 19.493 3.790 -11.254 543 HB2 LEU 72 1HB LEU 72 16.913 4.439 -9.838 544 HB3 LEU 72 2HB LEU 72 18.532 4.801 -9.244 545 HG LEU 72 HG LEU 72 18.703 6.153 -11.496 546 HD11 LEU 72 1HD1 LEU 72 15.835 6.702 -11.040 547 HD12 LEU 72 2HD1 LEU 72 16.233 5.222 -11.912 548 HD13 LEU 72 3HD1 LEU 72 16.788 6.781 -12.522 549 HD21 LEU 72 1HD2 LEU 72 18.149 8.122 -10.301 550 HD22 LEU 72 2HD2 LEU 72 18.785 6.980 -9.116 551 HD23 LEU 72 3HD2 LEU 72 17.045 7.251 -9.236 552 H SER 73 H SER 73 20.405 2.592 -9.621 553 HA SER 73 HA SER 73 19.195 0.006 -9.141 554 HB2 SER 73 1HB SER 73 21.892 1.215 -8.641 555 HB3 SER 73 2HB SER 73 21.427 -0.254 -7.783 556 HG SER 73 HG SER 73 22.528 -0.413 -9.948 557 H LEU 74 H LEU 74 17.662 1.955 -7.979 558 HA LEU 74 HA LEU 74 18.125 1.464 -5.114 559 HB2 LEU 74 1HB LEU 74 16.888 3.969 -6.232 560 HB3 LEU 74 2HB LEU 74 17.341 3.646 -4.559 561 HG LEU 74 HG LEU 74 19.477 3.642 -6.635 562 HD11 LEU 74 1HD1 LEU 74 17.859 5.705 -6.805 563 HD12 LEU 74 2HD1 LEU 74 19.609 5.913 -6.867 564 HD13 LEU 74 3HD1 LEU 74 18.736 6.231 -5.368 565 HD21 LEU 74 1HD2 LEU 74 19.534 4.828 -3.882 566 HD22 LEU 74 2HD2 LEU 74 20.869 4.211 -4.856 567 HD23 LEU 74 3HD2 LEU 74 19.713 3.091 -4.133 568 H ASN 75 H ASN 75 15.892 2.306 -3.976 569 HA ASN 75 HA ASN 75 13.719 0.910 -5.394 570 HB2 ASN 75 1HB ASN 75 14.350 0.885 -2.435 571 HB3 ASN 75 2HB ASN 75 12.893 0.199 -3.148 572 HD21 ASN 75 1HD2 ASN 75 13.124 -1.917 -2.895 573 HD22 ASN 75 2HD2 ASN 75 14.483 -2.846 -3.421 574 H GLY 76 H GLY 76 11.892 2.027 -5.674 575 HA2 GLY 76 1HA GLY 76 11.415 4.372 -3.947 576 HA3 GLY 76 2HA GLY 76 11.277 4.498 -5.695 577 H VAL 77 H VAL 77 9.238 5.025 -3.715 578 HA VAL 77 HA VAL 77 7.368 2.811 -3.931 579 HB VAL 77 HB VAL 77 6.664 5.503 -2.813 580 HG11 VAL 77 1HG1 VAL 77 5.651 2.729 -2.645 581 HG12 VAL 77 2HG1 VAL 77 5.544 3.709 -1.181 582 HG13 VAL 77 3HG1 VAL 77 4.774 4.258 -2.670 583 HG21 VAL 77 1HG2 VAL 77 7.453 4.523 -0.585 584 HG22 VAL 77 2HG2 VAL 77 8.409 3.406 -1.559 585 HG23 VAL 77 3HG2 VAL 77 8.686 5.143 -1.684 586 H ARG 78 H ARG 78 5.869 2.620 -5.460 587 HA ARG 78 HA ARG 78 5.483 4.845 -7.323 588 HB2 ARG 78 1HB ARG 78 4.180 2.920 -8.563 589 HB3 ARG 78 2HB ARG 78 5.936 2.997 -8.614 590 HG2 ARG 78 1HG ARG 78 4.678 1.427 -6.433 591 HG3 ARG 78 2HG ARG 78 4.647 0.761 -8.067 592 HD2 ARG 78 1HD ARG 78 7.204 1.466 -7.992 593 HD3 ARG 78 2HD ARG 78 6.947 1.271 -6.258 594 HE ARG 78 HE ARG 78 6.856 -0.993 -6.566 595 HH11 ARG 78 1HH1 ARG 78 6.440 0.588 -9.640 596 HH12 ARG 78 2HH1 ARG 78 6.513 -0.882 -10.553 597 HH21 ARG 78 1HH2 ARG 78 6.953 -2.936 -7.757 598 HH22 ARG 78 2HH2 ARG 78 6.804 -2.886 -9.481 599 H PHE 79 H PHE 79 3.788 6.123 -7.056 600 HA PHE 79 HA PHE 79 1.542 5.259 -5.430 601 HB2 PHE 79 1HB PHE 79 2.281 7.914 -6.663 602 HB3 PHE 79 2HB PHE 79 0.779 7.649 -5.785 603 HD1 PHE 79 HD2 PHE 79 4.365 6.772 -5.221 604 HD2 PHE 79 HD1 PHE 79 0.814 8.543 -3.682 605 HE1 PHE 79 HE2 PHE 79 5.525 7.248 -3.104 606 HE2 PHE 79 HE1 PHE 79 1.968 9.023 -1.563 607 HZ PHE 79 HZ PHE 79 4.326 8.375 -1.271 608 H LYS 80 H LYS 80 0.067 4.050 -6.437 609 HA LYS 80 HA LYS 80 -0.588 4.561 -9.233 610 HB2 LYS 80 1HB LYS 80 -0.212 2.240 -8.506 611 HB3 LYS 80 2HB LYS 80 -1.539 2.384 -7.360 612 HG2 LYS 80 1HG LYS 80 -3.080 2.774 -9.253 613 HG3 LYS 80 2HG LYS 80 -1.734 2.503 -10.363 614 HD2 LYS 80 1HD LYS 80 -1.439 0.252 -9.249 615 HD3 LYS 80 2HD LYS 80 -2.985 0.544 -8.448 616 HE2 LYS 80 1HE LYS 80 -2.591 0.600 -11.436 617 HE3 LYS 80 2HE LYS 80 -3.130 -0.820 -10.541 618 HZ1 LYS 80 1HZ LYS 80 -4.628 1.440 -11.390 619 HZ2 LYS 80 2HZ LYS 80 -4.770 1.226 -9.719 620 HZ3 LYS 80 3HZ LYS 80 -5.177 -0.035 -10.770 621 H ARG 81 H ARG 81 -2.247 5.790 -9.806 622 HA ARG 81 HA ARG 81 -4.056 6.850 -7.856 623 HB2 ARG 81 1HB ARG 81 -3.149 8.012 -9.964 624 HB3 ARG 81 2HB ARG 81 -4.374 7.102 -10.837 625 HG2 ARG 81 1HG ARG 81 -6.133 8.174 -9.645 626 HG3 ARG 81 2HG ARG 81 -4.991 8.924 -8.527 627 HD2 ARG 81 1HD ARG 81 -5.681 10.580 -10.110 628 HD3 ARG 81 2HD ARG 81 -4.008 10.148 -10.461 629 HE ARG 81 HE ARG 81 -5.981 8.688 -11.982 630 HH11 ARG 81 1HH1 ARG 81 -3.936 11.502 -11.831 631 HH12 ARG 81 2HH1 ARG 81 -3.929 11.749 -13.546 632 HH21 ARG 81 1HH2 ARG 81 -5.978 9.003 -14.241 633 HH22 ARG 81 2HH2 ARG 81 -5.091 10.328 -14.916 634 H ILE 82 H ILE 82 -5.502 5.457 -7.022 635 HA ILE 82 HA ILE 82 -6.825 3.494 -8.691 636 HB ILE 82 HB ILE 82 -7.204 4.140 -5.765 637 HG12 ILE 82 1HG1 ILE 82 -4.960 3.215 -6.489 638 HG13 ILE 82 2HG1 ILE 82 -5.826 2.251 -5.299 639 HG21 ILE 82 1HG2 ILE 82 -8.366 2.003 -7.525 640 HG22 ILE 82 2HG2 ILE 82 -8.263 1.824 -5.775 641 HG23 ILE 82 3HG2 ILE 82 -9.207 3.141 -6.472 642 HD11 ILE 82 1HD1 ILE 82 -5.932 0.494 -6.656 643 HD12 ILE 82 2HD1 ILE 82 -6.419 1.478 -8.037 644 HD13 ILE 82 3HD1 ILE 82 -4.713 1.326 -7.621 645 H SER 83 H SER 83 -7.924 6.126 -6.545 646 HA SER 83 HA SER 83 -10.175 6.568 -8.383 647 HB2 SER 83 1HB SER 83 -10.335 6.428 -5.363 648 HB3 SER 83 2HB SER 83 -11.643 6.980 -6.409 649 HG SER 83 HG SER 83 -11.144 4.769 -7.462 650 H GLY 84 H GLY 84 -11.381 8.695 -7.416 651 HA2 GLY 84 1HA GLY 84 -11.238 10.953 -6.946 652 HA3 GLY 84 2HA GLY 84 -9.593 10.689 -6.386 653 H THR 85 H THR 85 -10.114 12.953 -7.758 654 HA THR 85 HA THR 85 -9.438 12.533 -10.558 655 HB THR 85 HB THR 85 -11.094 14.313 -9.645 656 HG1 THR 85 HG1 THR 85 -9.094 15.175 -11.480 657 HG21 THR 85 1HG2 THR 85 -10.121 16.463 -9.118 658 HG22 THR 85 2HG2 THR 85 -8.494 15.818 -9.337 659 HG23 THR 85 3HG2 THR 85 -9.493 15.255 -7.998 660 H SER 86 H SER 86 -7.662 13.761 -11.545 661 HA SER 86 HA SER 86 -5.195 13.175 -10.490 662 HB2 SER 86 1HB SER 86 -4.350 15.038 -12.044 663 HB3 SER 86 2HB SER 86 -5.274 13.732 -12.785 664 HG SER 86 HG SER 86 -6.409 15.341 -13.543 665 H ILE 87 H ILE 87 -6.663 16.428 -10.527 666 HA ILE 87 HA ILE 87 -4.862 17.863 -9.115 667 HB ILE 87 HB ILE 87 -7.865 17.945 -8.854 668 HG12 ILE 87 1HG1 ILE 87 -6.069 19.928 -10.233 669 HG13 ILE 87 2HG1 ILE 87 -6.627 18.477 -11.057 670 HG21 ILE 87 1HG2 ILE 87 -5.889 20.004 -7.881 671 HG22 ILE 87 2HG2 ILE 87 -7.647 20.099 -7.788 672 HG23 ILE 87 3HG2 ILE 87 -6.779 18.888 -6.845 673 HD11 ILE 87 1HD1 ILE 87 -7.965 20.553 -11.473 674 HD12 ILE 87 2HD1 ILE 87 -8.886 19.159 -10.907 675 HD13 ILE 87 3HD1 ILE 87 -8.487 20.465 -9.791 676 H ALA 88 H ALA 88 -7.564 16.147 -7.532 677 HA ALA 88 HA ALA 88 -6.743 16.528 -4.908 678 HB1 ALA 88 1HB ALA 88 -8.820 15.673 -4.846 679 HB2 ALA 88 2HB ALA 88 -8.576 14.702 -6.299 680 HB3 ALA 88 3HB ALA 88 -7.979 14.126 -4.743 681 H PHE 89 H PHE 89 -5.994 13.848 -7.116 682 HA PHE 89 HA PHE 89 -4.570 12.226 -5.382 683 HB2 PHE 89 1HB PHE 89 -5.212 11.621 -7.707 684 HB3 PHE 89 2HB PHE 89 -3.950 12.692 -8.306 685 HD1 PHE 89 HD1 PHE 89 -4.053 10.141 -5.585 686 HD2 PHE 89 HD2 PHE 89 -2.234 11.463 -9.198 687 HE1 PHE 89 HE1 PHE 89 -2.428 8.300 -5.436 688 HE2 PHE 89 HE2 PHE 89 -0.606 9.623 -9.056 689 HZ PHE 89 HZ PHE 89 -0.703 8.038 -7.173 690 H LYS 90 H LYS 90 -3.099 14.496 -7.709 691 HA LYS 90 HA LYS 90 -0.507 14.385 -6.766 692 HB2 LYS 90 1HB LYS 90 -1.187 15.512 -8.855 693 HB3 LYS 90 2HB LYS 90 -1.917 16.804 -7.911 694 HG2 LYS 90 1HG LYS 90 0.185 17.545 -7.125 695 HG3 LYS 90 2HG LYS 90 0.997 16.096 -7.722 696 HD2 LYS 90 1HD LYS 90 1.473 17.919 -9.215 697 HD3 LYS 90 2HD LYS 90 0.399 16.784 -10.035 698 HE2 LYS 90 1HE LYS 90 -1.404 18.216 -9.939 699 HE3 LYS 90 2HE LYS 90 -0.775 19.082 -8.537 700 HZ1 LYS 90 1HZ LYS 90 -0.717 20.113 -10.942 701 HZ2 LYS 90 2HZ LYS 90 0.738 19.255 -11.033 702 HZ3 LYS 90 3HZ LYS 90 0.515 20.415 -9.822 703 H ASN 91 H ASN 91 -3.198 16.353 -5.617 704 HA ASN 91 HA ASN 91 -1.931 18.128 -3.952 705 HB2 ASN 91 1HB ASN 91 -4.491 17.655 -4.441 706 HB3 ASN 91 2HB ASN 91 -4.385 16.768 -2.923 707 HD21 ASN 91 1HD2 ASN 91 -5.496 19.483 -3.997 708 HD22 ASN 91 2HD2 ASN 91 -5.088 20.576 -2.723 709 H ILE 92 H ILE 92 -3.280 15.015 -2.840 710 HA ILE 92 HA ILE 92 -1.903 15.083 -0.364 711 HB ILE 92 HB ILE 92 -3.943 13.790 -0.600 712 HG12 ILE 92 1HG1 ILE 92 -3.202 11.694 0.452 713 HG13 ILE 92 2HG1 ILE 92 -1.555 12.001 -0.088 714 HG21 ILE 92 1HG2 ILE 92 -3.862 11.621 -1.868 715 HG22 ILE 92 2HG2 ILE 92 -3.850 13.077 -2.862 716 HG23 ILE 92 3HG2 ILE 92 -2.354 12.184 -2.588 717 HD11 ILE 92 1HD1 ILE 92 -3.132 13.642 1.879 718 HD12 ILE 92 2HD1 ILE 92 -1.779 12.568 2.237 719 HD13 ILE 92 3HD1 ILE 92 -1.515 14.035 1.295 720 H ALA 93 H ALA 93 -1.189 13.655 -3.494 721 HA ALA 93 HA ALA 93 0.831 11.896 -2.898 722 HB1 ALA 93 1HB ALA 93 1.383 11.945 -5.114 723 HB2 ALA 93 2HB ALA 93 -0.212 12.695 -5.183 724 HB3 ALA 93 3HB ALA 93 1.237 13.700 -5.227 725 H SER 94 H SER 94 0.956 15.403 -2.965 726 HA SER 94 HA SER 94 3.800 15.583 -2.756 727 HB2 SER 94 1HB SER 94 2.212 17.385 -3.628 728 HB3 SER 94 2HB SER 94 1.832 17.722 -1.939 729 HG SER 94 HG SER 94 4.413 17.819 -3.120 730 H LYS 95 H LYS 95 1.191 15.185 -0.515 731 HA LYS 95 HA LYS 95 2.588 16.065 1.813 732 HB2 LYS 95 1HB LYS 95 0.008 15.681 1.355 733 HB3 LYS 95 2HB LYS 95 0.367 14.077 1.980 734 HG2 LYS 95 1HG LYS 95 -0.384 15.348 3.813 735 HG3 LYS 95 2HG LYS 95 1.367 15.215 3.995 736 HD2 LYS 95 1HD LYS 95 1.650 17.448 3.067 737 HD3 LYS 95 2HD LYS 95 -0.092 17.580 2.816 738 HE2 LYS 95 1HE LYS 95 0.308 18.746 4.807 739 HE3 LYS 95 2HE LYS 95 -0.308 17.178 5.328 740 HZ1 LYS 95 1HZ LYS 95 1.923 16.460 5.795 741 HZ2 LYS 95 2HZ LYS 95 1.634 17.914 6.609 742 HZ3 LYS 95 3HZ LYS 95 2.569 17.905 5.199 743 H ILE 96 H ILE 96 2.172 12.983 0.178 744 HA ILE 96 HA ILE 96 3.442 11.466 2.268 745 HB ILE 96 HB ILE 96 3.052 10.523 -0.561 746 HG12 ILE 96 1HG1 ILE 96 0.907 11.386 0.006 747 HG13 ILE 96 2HG1 ILE 96 0.822 9.650 0.280 748 HG21 ILE 96 1HG2 ILE 96 3.013 9.077 2.085 749 HG22 ILE 96 2HG2 ILE 96 2.849 8.340 0.493 750 HG23 ILE 96 3HG2 ILE 96 4.365 9.113 0.954 751 HD11 ILE 96 1HD1 ILE 96 -0.103 10.260 2.223 752 HD12 ILE 96 2HD1 ILE 96 1.568 10.513 2.729 753 HD13 ILE 96 3HD1 ILE 96 0.599 11.877 2.170 754 H ALA 97 H ALA 97 4.337 12.206 -1.108 755 HA ALA 97 HA ALA 97 6.881 11.191 -1.149 756 HB1 ALA 97 1HB ALA 97 5.961 12.023 -3.162 757 HB2 ALA 97 2HB ALA 97 5.771 13.643 -2.491 758 HB3 ALA 97 3HB ALA 97 7.383 13.010 -2.826 759 H ASN 98 H ASN 98 5.878 14.396 0.000 760 HA ASN 98 HA ASN 98 8.473 15.326 0.611 761 HB2 ASN 98 1HB ASN 98 6.658 16.898 0.369 762 HB3 ASN 98 2HB ASN 98 5.767 16.140 1.686 763 HD21 ASN 98 1HD2 ASN 98 8.017 18.501 0.821 764 HD22 ASN 98 2HD2 ASN 98 8.473 19.001 2.410 765 H GLU 99 H GLU 99 5.918 14.515 2.963 766 HA GLU 99 HA GLU 99 7.385 14.388 5.238 767 HB2 GLU 99 1HB GLU 99 5.016 12.827 4.300 768 HB3 GLU 99 2HB GLU 99 5.778 12.376 5.818 769 HG2 GLU 99 1HG GLU 99 4.929 15.194 5.259 770 HG3 GLU 99 2HG GLU 99 3.812 13.993 5.905 771 H LEU 100 H LEU 100 6.886 11.646 3.017 772 HA LEU 100 HA LEU 100 8.239 9.646 4.212 773 HB2 LEU 100 1HB LEU 100 8.025 10.493 1.372 774 HB3 LEU 100 2HB LEU 100 9.167 9.211 1.769 775 HG LEU 100 HG LEU 100 6.183 9.178 2.214 776 HD11 LEU 100 1HD1 LEU 100 7.908 8.338 0.053 777 HD12 LEU 100 2HD1 LEU 100 6.148 8.423 0.125 778 HD13 LEU 100 3HD1 LEU 100 6.986 6.987 0.712 779 HD21 LEU 100 1HD2 LEU 100 8.345 7.259 3.042 780 HD22 LEU 100 2HD2 LEU 100 6.659 6.772 2.863 781 HD23 LEU 100 3HD2 LEU 100 7.101 8.008 4.042 782 H LYS 101 H LYS 101 9.948 10.187 5.512 783 HA LYS 101 HA LYS 101 12.168 11.733 4.529 784 HB2 LYS 101 1HB LYS 101 11.254 11.525 6.967 785 HB3 LYS 101 2HB LYS 101 12.259 10.083 7.032 786 HG2 LYS 101 1HG LYS 101 13.628 11.734 7.905 787 HG3 LYS 101 2HG LYS 101 14.154 11.620 6.224 788 HD2 LYS 101 1HD LYS 101 12.797 13.558 5.650 789 HD3 LYS 101 2HD LYS 101 12.205 13.654 7.310 790 HE2 LYS 101 1HE LYS 101 14.628 13.904 8.009 791 HE3 LYS 101 2HE LYS 101 15.000 14.130 6.300 792 HZ1 LYS 101 1HZ LYS 101 12.839 15.787 7.168 793 HZ2 LYS 101 2HZ LYS 101 14.267 16.213 6.368 794 HZ3 LYS 101 3HZ LYS 101 14.251 16.079 8.055 795 H LEU 102 H LEU 102 12.579 10.301 2.669 796 HA LEU 102 HA LEU 102 14.228 7.984 3.442 797 HB2 LEU 102 1HB LEU 102 12.855 8.338 0.791 798 HB3 LEU 102 2HB LEU 102 13.626 6.886 1.426 799 HG LEU 102 HG LEU 102 11.210 8.058 2.762 800 HD11 LEU 102 1HD1 LEU 102 11.199 7.252 0.115 801 HD12 LEU 102 2HD1 LEU 102 9.802 7.369 1.184 802 HD13 LEU 102 3HD1 LEU 102 10.643 5.831 0.999 803 HD21 LEU 102 1HD2 LEU 102 11.087 5.348 2.941 804 HD22 LEU 102 2HD2 LEU 102 11.811 6.404 4.153 805 HD23 LEU 102 3HD2 LEU 102 12.829 5.620 2.945 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -5.583 0.871 -27.350 2 HA2 GLY 1 1HA GLY 1 -6.529 -0.904 -25.965 3 HA3 GLY 1 2HA GLY 1 -5.797 -2.061 -27.066 4 H SER 2 H SER 2 -4.999 -2.918 -24.956 5 HA SER 2 HA SER 2 -3.027 -1.464 -23.502 6 HB2 SER 2 1HB SER 2 -4.485 -3.529 -22.790 7 HB3 SER 2 2HB SER 2 -3.152 -4.459 -23.473 8 HG SER 2 HG SER 2 -3.146 -3.740 -21.111 9 H SER 3 H SER 3 -1.653 -0.752 -25.238 10 HA SER 3 HA SER 3 0.063 -2.851 -26.375 11 HB2 SER 3 1HB SER 3 -0.388 0.011 -27.250 12 HB3 SER 3 2HB SER 3 0.769 -1.089 -27.999 13 HG SER 3 HG SER 3 -1.166 -1.131 -29.148 14 H GLY 4 H GLY 4 2.136 -3.018 -25.783 15 HA2 GLY 4 1HA GLY 4 4.251 -2.231 -25.108 16 HA3 GLY 4 2HA GLY 4 3.502 -0.725 -24.597 17 H SER 5 H SER 5 2.786 -0.499 -22.519 18 HA SER 5 HA SER 5 3.707 -2.532 -20.651 19 HB2 SER 5 1HB SER 5 3.560 -0.867 -18.967 20 HB3 SER 5 2HB SER 5 4.171 -0.032 -20.394 21 HG SER 5 HG SER 5 1.675 0.143 -19.152 22 H SER 6 H SER 6 2.266 -2.809 -18.635 23 HA SER 6 HA SER 6 -0.518 -3.216 -19.515 24 HB2 SER 6 1HB SER 6 1.212 -4.983 -17.775 25 HB3 SER 6 2HB SER 6 -0.530 -5.191 -17.948 26 HG SER 6 HG SER 6 1.157 -5.092 -20.206 27 H GLY 7 H GLY 7 1.519 -2.915 -16.602 28 HA2 GLY 7 1HA GLY 7 -0.745 -1.532 -15.302 29 HA3 GLY 7 2HA GLY 7 0.432 -2.509 -14.436 30 H ARG 8 H ARG 8 0.801 0.040 -16.894 31 HA ARG 8 HA ARG 8 2.406 1.549 -14.938 32 HB2 ARG 8 1HB ARG 8 2.963 0.888 -17.804 33 HB3 ARG 8 2HB ARG 8 3.580 2.391 -17.131 34 HG2 ARG 8 1HG ARG 8 4.506 0.853 -15.249 35 HG3 ARG 8 2HG ARG 8 4.295 -0.422 -16.450 36 HD2 ARG 8 1HD ARG 8 5.551 1.299 -17.999 37 HD3 ARG 8 2HD ARG 8 6.140 1.915 -16.456 38 HE ARG 8 HE ARG 8 6.486 -0.865 -16.505 39 HH11 ARG 8 1HH1 ARG 8 7.718 2.004 -18.044 40 HH12 ARG 8 2HH1 ARG 8 9.282 1.326 -18.352 41 HH21 ARG 8 1HH2 ARG 8 8.541 -1.770 -16.905 42 HH22 ARG 8 2HH2 ARG 8 9.749 -0.822 -17.704 43 H PHE 9 H PHE 9 1.671 3.522 -14.531 44 HA PHE 9 HA PHE 9 -0.108 4.787 -16.510 45 HB2 PHE 9 1HB PHE 9 -0.243 4.609 -13.536 46 HB3 PHE 9 2HB PHE 9 -0.845 6.073 -14.306 47 HD1 PHE 9 HD2 PHE 9 -1.062 2.394 -14.922 48 HD2 PHE 9 HD1 PHE 9 -3.105 6.117 -14.630 49 HE1 PHE 9 HE2 PHE 9 -3.191 1.260 -15.403 50 HE2 PHE 9 HE1 PHE 9 -5.238 4.988 -15.109 51 HZ PHE 9 HZ PHE 9 -5.283 2.557 -15.498 52 H THR 10 H THR 10 2.469 5.220 -16.978 53 HA THR 10 HA THR 10 4.222 6.719 -16.941 54 HB THR 10 HB THR 10 3.168 9.156 -17.229 55 HG1 THR 10 HG1 THR 10 1.046 8.365 -16.639 56 HG21 THR 10 1HG2 THR 10 3.439 6.848 -19.075 57 HG22 THR 10 2HG2 THR 10 4.224 8.428 -19.113 58 HG23 THR 10 3HG2 THR 10 2.559 8.256 -19.668 59 H TRP 11 H TRP 11 3.573 5.990 -14.310 60 HA TRP 11 HA TRP 11 3.046 7.996 -12.499 61 HB2 TRP 11 1HB TRP 11 4.815 5.568 -12.341 62 HB3 TRP 11 2HB TRP 11 4.655 6.664 -10.972 63 HD1 TRP 11 HD1 TRP 11 1.451 7.182 -11.467 64 HE1 TRP 11 HE1 TRP 11 -0.177 5.330 -10.730 65 HE3 TRP 11 HE3 TRP 11 4.707 3.242 -11.337 66 HZ2 TRP 11 HZ2 TRP 11 -0.093 2.565 -10.167 67 HZ3 TRP 11 HZ3 TRP 11 3.853 1.028 -10.689 68 HH2 TRP 11 HH2 TRP 11 1.502 0.698 -10.116 69 H SER 12 H SER 12 4.299 9.466 -11.328 70 HA SER 12 HA SER 12 7.028 9.948 -12.287 71 HB2 SER 12 1HB SER 12 5.181 11.430 -13.400 72 HB3 SER 12 2HB SER 12 5.190 12.282 -11.856 73 HG SER 12 HG SER 12 6.806 12.695 -13.830 74 H MET 13 H MET 13 8.438 10.560 -10.736 75 HA MET 13 HA MET 13 7.735 11.883 -8.342 76 HB2 MET 13 1HB MET 13 8.141 10.052 -6.744 77 HB3 MET 13 2HB MET 13 6.722 9.756 -7.740 78 HG2 MET 13 1HG MET 13 7.677 7.707 -7.848 79 HG3 MET 13 2HG MET 13 8.474 8.461 -9.227 80 HE1 MET 13 1HE MET 13 8.528 6.876 -6.003 81 HE2 MET 13 2HE MET 13 10.223 6.654 -5.568 82 HE3 MET 13 3HE MET 13 9.378 8.130 -5.100 83 H LYS 14 H LYS 14 9.578 12.095 -6.858 84 HA LYS 14 HA LYS 14 12.159 11.417 -8.089 85 HB2 LYS 14 1HB LYS 14 11.167 14.118 -7.246 86 HB3 LYS 14 2HB LYS 14 12.886 13.753 -7.174 87 HG2 LYS 14 1HG LYS 14 11.408 13.198 -9.696 88 HG3 LYS 14 2HG LYS 14 11.824 14.865 -9.294 89 HD2 LYS 14 1HD LYS 14 14.092 14.474 -9.441 90 HD3 LYS 14 2HD LYS 14 13.922 12.748 -9.110 91 HE2 LYS 14 1HE LYS 14 12.901 12.447 -11.328 92 HE3 LYS 14 2HE LYS 14 13.131 14.164 -11.654 93 HZ1 LYS 14 1HZ LYS 14 15.079 13.547 -12.503 94 HZ2 LYS 14 2HZ LYS 14 15.020 12.011 -11.799 95 HZ3 LYS 14 3HZ LYS 14 15.601 13.327 -10.909 96 H THR 15 H THR 15 10.898 10.051 -5.985 97 HA THR 15 HA THR 15 12.630 10.773 -3.711 98 HB THR 15 HB THR 15 9.920 9.436 -3.585 99 HG1 THR 15 HG1 THR 15 10.532 11.909 -2.391 100 HG21 THR 15 1HG2 THR 15 10.408 10.113 -1.059 101 HG22 THR 15 2HG2 THR 15 12.074 9.886 -1.589 102 HG23 THR 15 3HG2 THR 15 10.917 8.562 -1.726 103 H THR 16 H THR 16 14.299 9.403 -3.762 104 HA THR 16 HA THR 16 13.710 6.527 -3.884 105 HB THR 16 HB THR 16 15.852 6.201 -5.155 106 HG1 THR 16 HG1 THR 16 15.605 8.969 -5.764 107 HG21 THR 16 1HG2 THR 16 13.576 6.180 -6.207 108 HG22 THR 16 2HG2 THR 16 14.884 6.625 -7.304 109 HG23 THR 16 3HG2 THR 16 13.827 7.871 -6.641 110 H SER 17 H SER 17 14.642 5.379 -2.309 111 HA SER 17 HA SER 17 16.592 6.745 -0.591 112 HB2 SER 17 1HB SER 17 14.341 5.715 0.256 113 HB3 SER 17 2HB SER 17 15.215 4.187 0.164 114 HG SER 17 HG SER 17 16.503 6.302 1.430 115 H SER 18 H SER 18 18.299 5.391 0.389 116 HA SER 18 HA SER 18 19.318 3.444 -1.573 117 HB2 SER 18 1HB SER 18 21.580 4.024 -0.609 118 HB3 SER 18 2HB SER 18 20.783 5.338 -1.474 119 HG SER 18 HG SER 18 20.814 6.447 0.300 120 H MET 19 H MET 19 17.536 2.455 0.218 121 HA MET 19 HA MET 19 19.249 0.759 1.882 122 HB2 MET 19 1HB MET 19 17.567 0.873 3.720 123 HB3 MET 19 2HB MET 19 18.412 2.389 3.438 124 HG2 MET 19 1HG MET 19 16.526 3.324 2.329 125 HG3 MET 19 2HG MET 19 15.696 1.769 2.313 126 HE1 MET 19 1HE MET 19 13.341 3.455 4.115 127 HE2 MET 19 2HE MET 19 13.788 2.088 3.093 128 HE3 MET 19 3HE MET 19 13.454 1.836 4.807 129 H ASP 20 H ASP 20 17.890 -1.129 2.784 130 HA ASP 20 HA ASP 20 16.868 -2.594 0.625 131 HB2 ASP 20 1HB ASP 20 16.945 -2.968 3.584 132 HB3 ASP 20 2HB ASP 20 15.875 -4.006 2.645 133 HA PRO 21 HA PRO 21 12.653 -1.425 0.279 134 HB2 PRO 21 1HB PRO 21 11.500 -3.786 -0.407 135 HB3 PRO 21 2HB PRO 21 12.524 -2.860 -1.511 136 HG2 PRO 21 1HG PRO 21 13.218 -5.235 0.175 137 HG3 PRO 21 2HG PRO 21 13.662 -4.888 -1.506 138 HD2 PRO 21 1HD PRO 21 15.363 -4.487 0.561 139 HD3 PRO 21 2HD PRO 21 15.374 -3.472 -0.895 140 H SER 22 H SER 22 13.091 -4.495 2.039 141 HA SER 22 HA SER 22 10.716 -4.720 3.347 142 HB2 SER 22 1HB SER 22 13.521 -5.396 4.130 143 HB3 SER 22 2HB SER 22 12.245 -5.563 5.335 144 HG SER 22 HG SER 22 11.191 -7.000 3.979 145 H ASP 23 H ASP 23 13.335 -2.501 4.084 146 HA ASP 23 HA ASP 23 12.234 -1.580 6.553 147 HB2 ASP 23 1HB ASP 23 14.674 -1.429 5.771 148 HB3 ASP 23 2HB ASP 23 14.159 -0.034 4.826 149 H MET 24 H MET 24 12.180 -0.404 3.215 150 HA MET 24 HA MET 24 11.048 2.062 3.483 151 HB2 MET 24 1HB MET 24 10.412 -0.058 1.427 152 HB3 MET 24 2HB MET 24 9.913 1.622 1.291 153 HG2 MET 24 1HG MET 24 12.792 1.022 1.716 154 HG3 MET 24 2HG MET 24 12.089 0.738 0.125 155 HE1 MET 24 1HE MET 24 10.738 4.127 -0.926 156 HE2 MET 24 2HE MET 24 11.873 3.021 -1.701 157 HE3 MET 24 3HE MET 24 10.454 2.387 -0.866 158 H MET 25 H MET 25 9.226 -0.994 3.224 159 HA MET 25 HA MET 25 6.666 -0.105 3.432 160 HB2 MET 25 1HB MET 25 7.917 -2.522 4.737 161 HB3 MET 25 2HB MET 25 6.182 -2.241 4.687 162 HG2 MET 25 1HG MET 25 7.918 -2.415 2.239 163 HG3 MET 25 2HG MET 25 7.057 -3.785 2.936 164 HE1 MET 25 1HE MET 25 4.885 -4.422 2.573 165 HE2 MET 25 2HE MET 25 4.041 -3.159 3.468 166 HE3 MET 25 3HE MET 25 3.568 -3.531 1.810 167 H ARG 26 H ARG 26 8.833 -0.767 6.178 168 HA ARG 26 HA ARG 26 7.175 -0.204 8.281 169 HB2 ARG 26 1HB ARG 26 9.622 -0.929 8.325 170 HB3 ARG 26 2HB ARG 26 10.022 0.778 8.184 171 HG2 ARG 26 1HG ARG 26 9.067 1.278 10.280 172 HG3 ARG 26 2HG ARG 26 8.265 -0.291 10.371 173 HD2 ARG 26 1HD ARG 26 10.409 -1.405 10.572 174 HD3 ARG 26 2HD ARG 26 11.251 0.132 10.383 175 HE ARG 26 HE ARG 26 9.996 -0.878 12.765 176 HH11 ARG 26 1HH1 ARG 26 11.057 1.972 11.071 177 HH12 ARG 26 2HH1 ARG 26 11.216 2.926 12.508 178 HH21 ARG 26 1HH2 ARG 26 10.201 0.368 14.665 179 HH22 ARG 26 2HH2 ARG 26 10.730 2.012 14.552 180 H GLU 27 H GLU 27 9.194 2.162 6.537 181 HA GLU 27 HA GLU 27 8.346 4.432 7.924 182 HB2 GLU 27 1HB GLU 27 10.295 4.300 6.355 183 HB3 GLU 27 2HB GLU 27 9.156 4.317 5.015 184 HG2 GLU 27 1HG GLU 27 9.998 6.520 5.289 185 HG3 GLU 27 2HG GLU 27 8.322 6.512 5.836 186 H ILE 28 H ILE 28 7.274 3.377 4.686 187 HA ILE 28 HA ILE 28 5.327 5.108 4.089 188 HB ILE 28 HB ILE 28 5.282 2.117 3.806 189 HG12 ILE 28 1HG1 ILE 28 5.294 4.067 1.547 190 HG13 ILE 28 2HG1 ILE 28 6.768 3.881 2.491 191 HG21 ILE 28 1HG2 ILE 28 3.036 2.312 3.671 192 HG22 ILE 28 2HG2 ILE 28 3.098 4.040 3.329 193 HG23 ILE 28 3HG2 ILE 28 3.404 2.875 2.041 194 HD11 ILE 28 1HD1 ILE 28 6.980 1.619 1.895 195 HD12 ILE 28 2HD1 ILE 28 5.333 1.549 1.268 196 HD13 ILE 28 3HD1 ILE 28 6.566 2.473 0.409 197 H ARG 29 H ARG 29 4.625 2.195 6.031 198 HA ARG 29 HA ARG 29 2.025 2.907 6.746 199 HB2 ARG 29 1HB ARG 29 4.030 1.200 8.230 200 HB3 ARG 29 2HB ARG 29 2.319 1.294 8.627 201 HG2 ARG 29 1HG ARG 29 1.750 0.402 6.432 202 HG3 ARG 29 2HG ARG 29 3.463 0.327 6.015 203 HD2 ARG 29 1HD ARG 29 2.340 -1.086 8.416 204 HD3 ARG 29 2HD ARG 29 2.350 -1.827 6.816 205 HE ARG 29 HE ARG 29 4.917 -0.836 7.636 206 HH11 ARG 29 1HH1 ARG 29 2.711 -3.525 7.790 207 HH12 ARG 29 2HH1 ARG 29 3.954 -4.696 8.086 208 HH21 ARG 29 1HH2 ARG 29 6.562 -2.368 8.025 209 HH22 ARG 29 2HH2 ARG 29 6.144 -4.036 8.220 210 H LYS 30 H LYS 30 5.053 3.356 8.563 211 HA LYS 30 HA LYS 30 4.092 4.537 10.844 212 HB2 LYS 30 1HB LYS 30 6.444 3.999 10.555 213 HB3 LYS 30 2HB LYS 30 6.603 5.230 9.309 214 HG2 LYS 30 1HG LYS 30 5.915 6.901 11.103 215 HG3 LYS 30 2HG LYS 30 6.205 5.600 12.259 216 HD2 LYS 30 1HD LYS 30 8.298 6.298 10.240 217 HD3 LYS 30 2HD LYS 30 8.113 7.284 11.693 218 HE2 LYS 30 1HE LYS 30 8.507 4.294 11.694 219 HE3 LYS 30 2HE LYS 30 9.804 5.469 11.906 220 HZ1 LYS 30 1HZ LYS 30 9.333 5.421 14.057 221 HZ2 LYS 30 2HZ LYS 30 7.939 4.496 13.813 222 HZ3 LYS 30 3HZ LYS 30 7.861 6.183 13.717 223 H VAL 31 H VAL 31 5.296 6.378 8.031 224 HA VAL 31 HA VAL 31 4.510 8.894 8.798 225 HB VAL 31 HB VAL 31 4.438 7.784 5.988 226 HG11 VAL 31 1HG1 VAL 31 5.141 10.452 5.873 227 HG12 VAL 31 2HG1 VAL 31 3.567 9.769 5.461 228 HG13 VAL 31 3HG1 VAL 31 3.855 10.412 7.079 229 HG21 VAL 31 1HG2 VAL 31 6.597 7.972 7.682 230 HG22 VAL 31 2HG2 VAL 31 6.670 7.911 5.921 231 HG23 VAL 31 3HG2 VAL 31 6.690 9.467 6.751 232 H LEU 32 H LEU 32 2.613 6.708 6.707 233 HA LEU 32 HA LEU 32 0.355 8.068 6.263 234 HB2 LEU 32 1HB LEU 32 0.698 5.207 7.092 235 HB3 LEU 32 2HB LEU 32 -0.892 5.860 6.701 236 HG LEU 32 HG LEU 32 1.437 5.900 4.790 237 HD11 LEU 32 1HD1 LEU 32 -0.364 4.069 3.829 238 HD12 LEU 32 2HD1 LEU 32 -0.343 3.724 5.558 239 HD13 LEU 32 3HD1 LEU 32 1.159 3.691 4.634 240 HD21 LEU 32 1HD2 LEU 32 -0.845 7.359 4.732 241 HD22 LEU 32 2HD2 LEU 32 -1.344 5.920 3.842 242 HD23 LEU 32 3HD2 LEU 32 0.052 6.854 3.300 243 H GLY 33 H GLY 33 0.910 6.246 9.282 244 HA2 GLY 33 1HA GLY 33 -1.408 6.853 10.629 245 HA3 GLY 33 2HA GLY 33 0.147 6.633 11.417 246 H ALA 34 H ALA 34 1.598 8.767 10.703 247 HA ALA 34 HA ALA 34 0.848 10.780 12.398 248 HB1 ALA 34 1HB ALA 34 2.549 10.909 9.920 249 HB2 ALA 34 2HB ALA 34 2.382 12.253 11.050 250 HB3 ALA 34 3HB ALA 34 3.077 10.726 11.593 251 H ASN 35 H ASN 35 0.175 10.562 8.920 252 HA ASN 35 HA ASN 35 -1.404 13.000 9.007 253 HB2 ASN 35 1HB ASN 35 -0.769 11.102 6.738 254 HB3 ASN 35 2HB ASN 35 -1.700 12.587 6.566 255 HD21 ASN 35 1HD2 ASN 35 1.393 11.192 6.726 256 HD22 ASN 35 2HD2 ASN 35 2.316 12.649 6.623 257 H ASN 36 H ASN 36 -2.261 10.640 10.521 258 HA ASN 36 HA ASN 36 -4.072 9.267 10.839 259 HB2 ASN 36 1HB ASN 36 -5.254 11.859 9.850 260 HB3 ASN 36 2HB ASN 36 -6.262 10.532 10.422 261 HD21 ASN 36 1HD2 ASN 36 -5.665 13.298 11.437 262 HD22 ASN 36 2HD2 ASN 36 -5.233 13.062 13.093 263 H CYS 37 H CYS 37 -2.817 8.643 8.435 264 HA CYS 37 HA CYS 37 -4.907 8.360 6.428 265 HB2 CYS 37 1HB CYS 37 -1.986 7.575 6.410 266 HB3 CYS 37 2HB CYS 37 -3.085 7.341 5.057 267 HG CYS 37 HG CYS 37 -2.816 10.479 6.280 268 H ASP 38 H ASP 38 -5.510 6.319 5.544 269 HA ASP 38 HA ASP 38 -5.205 4.099 7.457 270 HB2 ASP 38 1HB ASP 38 -7.521 4.934 5.726 271 HB3 ASP 38 2HB ASP 38 -7.393 3.291 6.349 272 H TYR 39 H TYR 39 -4.078 2.418 6.759 273 HA TYR 39 HA TYR 39 -3.768 2.041 3.857 274 HB2 TYR 39 1HB TYR 39 -1.766 0.568 4.759 275 HB3 TYR 39 2HB TYR 39 -1.604 2.312 4.586 276 HD1 TYR 39 HD1 TYR 39 -2.033 3.749 6.669 277 HD2 TYR 39 HD2 TYR 39 -1.392 -0.455 6.827 278 HE1 TYR 39 HE1 TYR 39 -1.444 3.934 9.049 279 HE2 TYR 39 HE2 TYR 39 -0.803 -0.281 9.209 280 HH TYR 39 HH TYR 39 -1.291 1.324 11.114 281 H GLU 40 H GLU 40 -3.331 -0.297 3.237 282 HA GLU 40 HA GLU 40 -4.681 -2.259 4.905 283 HB2 GLU 40 1HB GLU 40 -6.419 -1.113 3.447 284 HB3 GLU 40 2HB GLU 40 -5.605 -1.834 2.066 285 HG2 GLU 40 1HG GLU 40 -7.367 -3.282 2.526 286 HG3 GLU 40 2HG GLU 40 -5.958 -4.069 3.235 287 H GLN 41 H GLN 41 -3.882 -4.277 4.647 288 HA GLN 41 HA GLN 41 -1.522 -4.604 3.067 289 HB2 GLN 41 1HB GLN 41 -2.267 -5.706 5.361 290 HB3 GLN 41 2HB GLN 41 -2.912 -6.943 4.290 291 HG2 GLN 41 1HG GLN 41 -0.079 -6.011 4.044 292 HG3 GLN 41 2HG GLN 41 -0.543 -7.234 5.226 293 HE21 GLN 41 1HE2 GLN 41 1.093 -7.229 2.676 294 HE22 GLN 41 2HE2 GLN 41 0.467 -8.563 1.774 295 H ARG 42 H ARG 42 -2.022 -4.459 0.906 296 HA ARG 42 HA ARG 42 -4.111 -6.126 -0.219 297 HB2 ARG 42 1HB ARG 42 -2.268 -4.023 -1.298 298 HB3 ARG 42 2HB ARG 42 -3.099 -5.108 -2.404 299 HG2 ARG 42 1HG ARG 42 -4.700 -3.705 -0.329 300 HG3 ARG 42 2HG ARG 42 -4.126 -2.788 -1.724 301 HD2 ARG 42 1HD ARG 42 -5.408 -3.979 -3.207 302 HD3 ARG 42 2HD ARG 42 -5.437 -5.419 -2.190 303 HE ARG 42 HE ARG 42 -6.844 -3.445 -0.841 304 HH11 ARG 42 1HH1 ARG 42 -7.095 -5.224 -3.823 305 HH12 ARG 42 2HH1 ARG 42 -8.825 -5.149 -3.874 306 HH21 ARG 42 1HH2 ARG 42 -9.122 -3.339 -0.897 307 HH22 ARG 42 2HH2 ARG 42 -9.977 -4.075 -2.210 308 H GLU 43 H GLU 43 -0.774 -5.622 -1.345 309 HA GLU 43 HA GLU 43 -0.615 -8.512 -1.870 310 HB2 GLU 43 1HB GLU 43 1.049 -6.308 -3.095 311 HB3 GLU 43 2HB GLU 43 1.036 -8.001 -3.567 312 HG2 GLU 43 1HG GLU 43 -1.411 -6.272 -3.725 313 HG3 GLU 43 2HG GLU 43 -0.240 -6.384 -5.038 314 H ARG 44 H ARG 44 1.982 -9.002 -2.089 315 HA ARG 44 HA ARG 44 2.893 -9.277 0.519 316 HB2 ARG 44 1HB ARG 44 3.728 -10.670 -1.285 317 HB3 ARG 44 2HB ARG 44 4.467 -9.275 -2.060 318 HG2 ARG 44 1HG ARG 44 6.258 -10.294 -1.022 319 HG3 ARG 44 2HG ARG 44 5.799 -9.047 0.139 320 HD2 ARG 44 1HD ARG 44 4.273 -11.010 1.066 321 HD3 ARG 44 2HD ARG 44 5.514 -11.999 0.299 322 HE ARG 44 HE ARG 44 6.999 -10.311 1.736 323 HH11 ARG 44 1HH1 ARG 44 4.173 -12.162 2.576 324 HH12 ARG 44 2HH1 ARG 44 4.620 -12.333 4.241 325 HH21 ARG 44 1HH2 ARG 44 7.599 -10.529 3.926 326 HH22 ARG 44 2HH2 ARG 44 6.568 -11.403 5.008 327 H PHE 45 H PHE 45 3.602 -6.773 -1.866 328 HA PHE 45 HA PHE 45 4.723 -5.134 0.296 329 HB2 PHE 45 1HB PHE 45 5.948 -5.671 -2.403 330 HB3 PHE 45 2HB PHE 45 6.351 -4.230 -1.476 331 HD1 PHE 45 HD1 PHE 45 6.605 -7.881 -1.625 332 HD2 PHE 45 HD2 PHE 45 7.698 -4.363 0.506 333 HE1 PHE 45 HE1 PHE 45 8.287 -9.167 -0.372 334 HE2 PHE 45 HE2 PHE 45 9.382 -5.642 1.762 335 HZ PHE 45 HZ PHE 45 9.679 -8.048 1.324 336 H LEU 46 H LEU 46 2.101 -5.045 -0.692 337 HA LEU 46 HA LEU 46 2.098 -2.373 -1.914 338 HB2 LEU 46 1HB LEU 46 1.562 -4.123 -3.599 339 HB3 LEU 46 2HB LEU 46 0.171 -4.581 -2.619 340 HG LEU 46 HG LEU 46 -0.399 -1.994 -2.956 341 HD11 LEU 46 1HD1 LEU 46 1.503 -2.709 -5.130 342 HD12 LEU 46 2HD1 LEU 46 1.276 -1.179 -4.284 343 HD13 LEU 46 3HD1 LEU 46 0.117 -1.686 -5.513 344 HD21 LEU 46 1HD2 LEU 46 -0.994 -4.405 -4.607 345 HD22 LEU 46 2HD2 LEU 46 -1.603 -2.833 -5.125 346 HD23 LEU 46 3HD2 LEU 46 -2.053 -3.477 -3.545 347 H LEU 47 H LEU 47 0.817 -0.937 -0.921 348 HA LEU 47 HA LEU 47 -1.163 -1.954 1.010 349 HB2 LEU 47 1HB LEU 47 0.565 0.498 1.307 350 HB3 LEU 47 2HB LEU 47 -0.650 -0.060 2.455 351 HG LEU 47 HG LEU 47 1.761 -1.710 1.741 352 HD11 LEU 47 1HD1 LEU 47 1.480 0.488 3.761 353 HD12 LEU 47 2HD1 LEU 47 2.767 0.219 2.587 354 HD13 LEU 47 3HD1 LEU 47 2.618 -0.840 3.989 355 HD21 LEU 47 1HD2 LEU 47 0.334 -1.771 4.350 356 HD22 LEU 47 2HD2 LEU 47 1.167 -3.063 3.485 357 HD23 LEU 47 3HD2 LEU 47 -0.429 -2.532 2.954 358 H PHE 48 H PHE 48 -3.000 -0.596 1.389 359 HA PHE 48 HA PHE 48 -3.591 1.170 -0.892 360 HB2 PHE 48 1HB PHE 48 -4.958 -0.961 -0.596 361 HB3 PHE 48 2HB PHE 48 -5.636 -0.209 0.844 362 HD1 PHE 48 HD1 PHE 48 -6.838 2.011 0.577 363 HD2 PHE 48 HD2 PHE 48 -5.827 -0.502 -2.707 364 HE1 PHE 48 HE1 PHE 48 -8.517 3.155 -0.811 365 HE2 PHE 48 HE2 PHE 48 -7.504 0.639 -4.100 366 HZ PHE 48 HZ PHE 48 -8.851 2.471 -3.153 367 H CYS 49 H CYS 49 -2.952 3.126 -0.074 368 HA CYS 49 HA CYS 49 -3.610 3.986 2.572 369 HB2 CYS 49 1HB CYS 49 -2.751 5.714 0.247 370 HB3 CYS 49 2HB CYS 49 -2.603 6.081 1.962 371 HG CYS 49 HG CYS 49 -0.457 4.605 -0.011 372 H VAL 50 H VAL 50 -4.887 5.949 3.023 373 HA VAL 50 HA VAL 50 -6.940 6.663 1.111 374 HB VAL 50 HB VAL 50 -7.595 5.182 3.652 375 HG11 VAL 50 1HG1 VAL 50 -9.054 7.341 2.364 376 HG12 VAL 50 2HG1 VAL 50 -10.003 5.858 2.486 377 HG13 VAL 50 3HG1 VAL 50 -9.309 6.583 3.936 378 HG21 VAL 50 1HG2 VAL 50 -9.186 4.120 1.807 379 HG22 VAL 50 2HG2 VAL 50 -7.904 4.693 0.741 380 HG23 VAL 50 3HG2 VAL 50 -7.528 3.568 2.046 381 H HIS 51 H HIS 51 -7.384 8.758 1.310 382 HA HIS 51 HA HIS 51 -7.299 10.036 3.928 383 HB2 HIS 51 1HB HIS 51 -5.005 10.207 2.837 384 HB3 HIS 51 2HB HIS 51 -5.764 11.230 1.621 385 HD1 HIS 51 HD1 HIS 51 -6.754 13.535 2.500 386 HD2 HIS 51 HD2 HIS 51 -4.363 11.463 5.193 387 HE1 HIS 51 HE1 HIS 51 -6.144 15.204 4.279 388 HE2 HIS 51 HE2 HIS 51 -4.628 13.950 5.852 389 H GLY 52 H GLY 52 -8.269 12.185 3.929 390 HA2 GLY 52 1HA GLY 52 -10.335 12.381 1.844 391 HA3 GLY 52 2HA GLY 52 -10.456 13.050 3.464 392 H ASP 53 H ASP 53 -8.259 14.522 3.797 393 HA ASP 53 HA ASP 53 -7.445 16.613 3.404 394 HB2 ASP 53 1HB ASP 53 -6.400 15.135 1.534 395 HB3 ASP 53 2HB ASP 53 -7.498 16.002 0.464 396 H GLY 54 H GLY 54 -10.275 16.408 3.557 397 HA2 GLY 54 1HA GLY 54 -11.253 18.829 3.113 398 HA3 GLY 54 2HA GLY 54 -11.305 18.181 1.480 399 H HIS 55 H HIS 55 -13.147 17.259 0.892 400 HA HIS 55 HA HIS 55 -15.090 16.562 2.962 401 HB2 HIS 55 1HB HIS 55 -15.251 17.298 0.080 402 HB3 HIS 55 2HB HIS 55 -16.510 16.251 0.729 403 HD1 HIS 55 HD1 HIS 55 -18.410 17.904 0.742 404 HD2 HIS 55 HD2 HIS 55 -15.032 19.318 2.704 405 HE1 HIS 55 HE1 HIS 55 -19.133 20.026 1.883 406 HE2 HIS 55 HE2 HIS 55 -17.052 20.908 2.993 407 H ALA 56 H ALA 56 -16.462 14.609 2.555 408 HA ALA 56 HA ALA 56 -14.785 12.312 2.305 409 HB1 ALA 56 1HB ALA 56 -16.979 11.073 2.580 410 HB2 ALA 56 2HB ALA 56 -16.523 12.161 3.891 411 HB3 ALA 56 3HB ALA 56 -17.743 12.657 2.717 412 H GLU 57 H GLU 57 -17.468 13.620 0.369 413 HA GLU 57 HA GLU 57 -17.594 11.647 -1.574 414 HB2 GLU 57 1HB GLU 57 -18.818 13.161 -2.882 415 HB3 GLU 57 2HB GLU 57 -19.116 13.680 -1.230 416 HG2 GLU 57 1HG GLU 57 -17.300 15.376 -1.530 417 HG3 GLU 57 2HG GLU 57 -17.266 14.936 -3.237 418 H ASN 58 H ASN 58 -15.068 13.808 -0.923 419 HA ASN 58 HA ASN 58 -13.870 13.283 -3.564 420 HB2 ASN 58 1HB ASN 58 -13.363 15.616 -1.703 421 HB3 ASN 58 2HB ASN 58 -12.542 15.339 -3.236 422 HD21 ASN 58 1HD2 ASN 58 -15.542 16.212 -1.705 423 HD22 ASN 58 2HD2 ASN 58 -16.300 16.868 -3.112 424 H LEU 59 H LEU 59 -13.674 11.346 -1.636 425 HA LEU 59 HA LEU 59 -11.270 11.618 -0.099 426 HB2 LEU 59 1HB LEU 59 -13.302 10.130 0.381 427 HB3 LEU 59 2HB LEU 59 -12.606 9.023 -0.800 428 HG LEU 59 HG LEU 59 -10.482 9.260 0.762 429 HD11 LEU 59 1HD1 LEU 59 -12.471 9.331 2.937 430 HD12 LEU 59 2HD1 LEU 59 -12.107 10.874 2.165 431 HD13 LEU 59 3HD1 LEU 59 -10.810 9.924 2.891 432 HD21 LEU 59 1HD2 LEU 59 -10.959 7.100 0.909 433 HD22 LEU 59 2HD2 LEU 59 -12.642 7.415 0.489 434 HD23 LEU 59 3HD2 LEU 59 -12.131 7.460 2.177 435 H VAL 60 H VAL 60 -9.246 10.860 -0.525 436 HA VAL 60 HA VAL 60 -8.758 9.968 -3.284 437 HB VAL 60 HB VAL 60 -6.863 11.217 -1.289 438 HG11 VAL 60 1HG1 VAL 60 -5.126 10.713 -2.607 439 HG12 VAL 60 2HG1 VAL 60 -6.188 9.489 -3.306 440 HG13 VAL 60 3HG1 VAL 60 -6.026 11.065 -4.082 441 HG21 VAL 60 1HG2 VAL 60 -7.619 13.161 -2.051 442 HG22 VAL 60 2HG2 VAL 60 -7.073 12.718 -3.668 443 HG23 VAL 60 3HG2 VAL 60 -8.716 12.335 -3.157 444 H GLN 61 H GLN 61 -7.807 8.053 -3.714 445 HA GLN 61 HA GLN 61 -6.733 6.491 -1.469 446 HB2 GLN 61 1HB GLN 61 -8.608 5.433 -3.593 447 HB3 GLN 61 2HB GLN 61 -7.836 4.473 -2.337 448 HG2 GLN 61 1HG GLN 61 -9.217 5.239 -0.701 449 HG3 GLN 61 2HG GLN 61 -9.475 6.794 -1.491 450 HE21 GLN 61 1HE2 GLN 61 -11.701 6.066 -0.683 451 HE22 GLN 61 2HE2 GLN 61 -12.678 5.227 -1.835 452 H TRP 62 H TRP 62 -4.689 6.026 -1.897 453 HA TRP 62 HA TRP 62 -3.963 5.237 -4.633 454 HB2 TRP 62 1HB TRP 62 -1.911 6.515 -4.530 455 HB3 TRP 62 2HB TRP 62 -3.270 7.592 -4.219 456 HD1 TRP 62 HD1 TRP 62 -0.085 6.306 -2.679 457 HE1 TRP 62 HE1 TRP 62 0.277 7.427 -0.390 458 HE3 TRP 62 HE3 TRP 62 -4.654 8.533 -2.133 459 HZ2 TRP 62 HZ2 TRP 62 -1.181 9.041 1.408 460 HZ3 TRP 62 HZ3 TRP 62 -5.090 9.848 -0.099 461 HH2 TRP 62 HH2 TRP 62 -3.388 10.095 1.634 462 H GLU 63 H GLU 63 -2.300 3.716 -4.805 463 HA GLU 63 HA GLU 63 -1.871 2.159 -2.375 464 HB2 GLU 63 1HB GLU 63 -1.092 1.446 -5.204 465 HB3 GLU 63 2HB GLU 63 -1.188 0.363 -3.823 466 HG2 GLU 63 1HG GLU 63 -3.700 1.204 -3.814 467 HG3 GLU 63 2HG GLU 63 -3.345 1.477 -5.519 468 H MET 64 H MET 64 0.347 1.069 -2.223 469 HA MET 64 HA MET 64 2.536 2.768 -3.129 470 HB2 MET 64 1HB MET 64 2.022 2.163 -0.211 471 HB3 MET 64 2HB MET 64 3.481 2.914 -0.843 472 HG2 MET 64 1HG MET 64 0.859 4.166 -1.463 473 HG3 MET 64 2HG MET 64 1.521 4.343 0.161 474 HE1 MET 64 1HE MET 64 3.942 7.014 0.001 475 HE2 MET 64 2HE MET 64 2.935 5.871 0.890 476 HE3 MET 64 3HE MET 64 4.493 5.356 0.243 477 H GLU 65 H GLU 65 3.909 1.407 -4.056 478 HA GLU 65 HA GLU 65 4.470 -1.152 -2.712 479 HB2 GLU 65 1HB GLU 65 3.170 -1.751 -4.606 480 HB3 GLU 65 2HB GLU 65 4.031 -0.624 -5.645 481 HG2 GLU 65 1HG GLU 65 4.935 -2.626 -6.290 482 HG3 GLU 65 2HG GLU 65 6.097 -2.093 -5.076 483 H VAL 66 H VAL 66 6.580 -1.745 -2.559 484 HA VAL 66 HA VAL 66 8.552 0.207 -3.532 485 HB VAL 66 HB VAL 66 8.889 -1.854 -1.350 486 HG11 VAL 66 1HG1 VAL 66 10.915 -0.620 -0.797 487 HG12 VAL 66 2HG1 VAL 66 10.977 -1.209 -2.460 488 HG13 VAL 66 3HG1 VAL 66 10.620 0.488 -2.136 489 HG21 VAL 66 1HG2 VAL 66 9.006 0.664 -0.210 490 HG22 VAL 66 2HG2 VAL 66 7.658 0.775 -1.342 491 HG23 VAL 66 3HG2 VAL 66 7.663 -0.474 -0.096 492 H CYS 67 H CYS 67 9.812 -0.357 -5.171 493 HA CYS 67 HA CYS 67 10.562 -3.171 -5.503 494 HB2 CYS 67 1HB CYS 67 8.592 -2.320 -7.022 495 HB3 CYS 67 2HB CYS 67 9.891 -1.560 -7.935 496 HG CYS 67 HG CYS 67 9.027 -4.795 -7.731 497 H LYS 68 H LYS 68 12.350 -3.393 -7.165 498 HA LYS 68 HA LYS 68 14.330 -1.314 -6.630 499 HB2 LYS 68 1HB LYS 68 14.491 -4.169 -7.553 500 HB3 LYS 68 2HB LYS 68 15.864 -3.086 -7.741 501 HG2 LYS 68 1HG LYS 68 16.134 -2.838 -5.432 502 HG3 LYS 68 2HG LYS 68 14.524 -3.475 -5.088 503 HD2 LYS 68 1HD LYS 68 15.836 -5.289 -4.560 504 HD3 LYS 68 2HD LYS 68 15.462 -5.629 -6.252 505 HE2 LYS 68 1HE LYS 68 17.586 -4.903 -6.971 506 HE3 LYS 68 2HE LYS 68 17.931 -4.126 -5.426 507 HZ1 LYS 68 1HZ LYS 68 19.126 -6.219 -5.680 508 HZ2 LYS 68 2HZ LYS 68 17.666 -7.054 -5.852 509 HZ3 LYS 68 3HZ LYS 68 18.038 -6.295 -4.387 510 H LEU 69 H LEU 69 14.353 0.296 -8.063 511 HA LEU 69 HA LEU 69 13.347 0.265 -10.646 512 HB2 LEU 69 1HB LEU 69 15.643 1.960 -9.686 513 HB3 LEU 69 2HB LEU 69 14.535 2.322 -11.007 514 HG LEU 69 HG LEU 69 13.413 1.991 -8.269 515 HD11 LEU 69 1HD1 LEU 69 13.995 4.130 -7.546 516 HD12 LEU 69 2HD1 LEU 69 14.554 4.621 -9.144 517 HD13 LEU 69 3HD1 LEU 69 15.500 3.477 -8.193 518 HD21 LEU 69 1HD2 LEU 69 12.304 2.550 -10.656 519 HD22 LEU 69 2HD2 LEU 69 12.645 4.184 -10.086 520 HD23 LEU 69 3HD2 LEU 69 11.642 3.103 -9.117 521 HA PRO 70 HA PRO 70 16.291 -2.051 -12.971 522 HB2 PRO 70 1HB PRO 70 15.661 -1.126 -15.445 523 HB3 PRO 70 2HB PRO 70 14.639 -2.261 -14.555 524 HG2 PRO 70 1HG PRO 70 14.363 0.705 -14.850 525 HG3 PRO 70 2HG PRO 70 13.111 -0.549 -14.929 526 HD2 PRO 70 1HD PRO 70 13.524 0.962 -12.720 527 HD3 PRO 70 2HD PRO 70 12.961 -0.720 -12.636 528 H ARG 71 H ARG 71 15.942 1.355 -13.990 529 HA ARG 71 HA ARG 71 18.738 1.450 -14.762 530 HB2 ARG 71 1HB ARG 71 16.790 2.562 -16.019 531 HB3 ARG 71 2HB ARG 71 16.829 3.776 -14.748 532 HG2 ARG 71 1HG ARG 71 18.157 4.757 -16.328 533 HG3 ARG 71 2HG ARG 71 19.367 3.908 -15.363 534 HD2 ARG 71 1HD ARG 71 18.124 2.490 -17.666 535 HD3 ARG 71 2HD ARG 71 19.331 3.732 -17.995 536 HE ARG 71 HE ARG 71 19.780 1.132 -16.836 537 HH11 ARG 71 1HH1 ARG 71 21.006 4.367 -17.228 538 HH12 ARG 71 2HH1 ARG 71 22.654 3.918 -16.939 539 HH21 ARG 71 1HH2 ARG 71 21.946 0.528 -16.453 540 HH22 ARG 71 2HH2 ARG 71 23.188 1.734 -16.499 541 H LEU 72 H LEU 72 16.646 3.412 -12.636 542 HA LEU 72 HA LEU 72 18.671 4.841 -11.377 543 HB2 LEU 72 1HB LEU 72 15.894 4.067 -10.598 544 HB3 LEU 72 2HB LEU 72 16.934 4.876 -9.428 545 HG LEU 72 HG LEU 72 16.382 6.049 -12.139 546 HD11 LEU 72 1HD1 LEU 72 14.241 5.624 -10.979 547 HD12 LEU 72 2HD1 LEU 72 14.591 7.340 -11.181 548 HD13 LEU 72 3HD1 LEU 72 14.826 6.572 -9.611 549 HD21 LEU 72 1HD2 LEU 72 17.837 7.564 -11.423 550 HD22 LEU 72 2HD2 LEU 72 17.956 6.772 -9.852 551 HD23 LEU 72 3HD2 LEU 72 16.708 7.986 -10.135 552 H SER 73 H SER 73 17.659 1.568 -10.943 553 HA SER 73 HA SER 73 18.255 -0.079 -9.474 554 HB2 SER 73 1HB SER 73 20.741 1.431 -10.109 555 HB3 SER 73 2HB SER 73 20.825 0.242 -8.809 556 HG SER 73 HG SER 73 19.767 -1.199 -10.437 557 H LEU 74 H LEU 74 16.802 1.739 -8.137 558 HA LEU 74 HA LEU 74 18.019 1.670 -5.487 559 HB2 LEU 74 1HB LEU 74 17.141 4.130 -6.932 560 HB3 LEU 74 2HB LEU 74 16.961 4.041 -5.181 561 HG LEU 74 HG LEU 74 19.625 3.467 -6.398 562 HD11 LEU 74 1HD1 LEU 74 20.061 5.559 -7.035 563 HD12 LEU 74 2HD1 LEU 74 19.247 6.250 -5.632 564 HD13 LEU 74 3HD1 LEU 74 18.312 5.788 -7.053 565 HD21 LEU 74 1HD2 LEU 74 19.212 3.120 -3.994 566 HD22 LEU 74 2HD2 LEU 74 18.774 4.822 -3.840 567 HD23 LEU 74 3HD2 LEU 74 20.418 4.371 -4.297 568 H ASN 75 H ASN 75 16.488 1.813 -3.759 569 HA ASN 75 HA ASN 75 13.918 0.693 -4.483 570 HB2 ASN 75 1HB ASN 75 14.755 1.352 -1.673 571 HB3 ASN 75 2HB ASN 75 13.705 0.056 -2.239 572 HD21 ASN 75 1HD2 ASN 75 14.552 -1.893 -2.464 573 HD22 ASN 75 2HD2 ASN 75 16.240 -2.263 -2.473 574 H GLY 76 H GLY 76 12.319 2.021 -5.037 575 HA2 GLY 76 1HA GLY 76 12.070 4.579 -3.580 576 HA3 GLY 76 2HA GLY 76 11.563 4.344 -5.246 577 H VAL 77 H VAL 77 9.520 5.247 -4.467 578 HA VAL 77 HA VAL 77 7.837 3.151 -3.260 579 HB VAL 77 HB VAL 77 7.585 6.128 -2.805 580 HG11 VAL 77 1HG1 VAL 77 6.023 4.129 -1.263 581 HG12 VAL 77 2HG1 VAL 77 5.611 5.783 -1.718 582 HG13 VAL 77 3HG1 VAL 77 5.504 4.487 -2.909 583 HG21 VAL 77 1HG2 VAL 77 9.314 5.535 -1.409 584 HG22 VAL 77 2HG2 VAL 77 7.924 5.238 -0.365 585 HG23 VAL 77 3HG2 VAL 77 8.715 3.891 -1.185 586 H ARG 78 H ARG 78 6.068 2.615 -4.380 587 HA ARG 78 HA ARG 78 5.548 3.981 -6.885 588 HB2 ARG 78 1HB ARG 78 5.544 1.386 -6.335 589 HB3 ARG 78 2HB ARG 78 3.864 1.712 -5.930 590 HG2 ARG 78 1HG ARG 78 3.632 1.156 -8.120 591 HG3 ARG 78 2HG ARG 78 3.886 2.894 -8.286 592 HD2 ARG 78 1HD ARG 78 5.373 2.091 -9.839 593 HD3 ARG 78 2HD ARG 78 6.408 2.202 -8.417 594 HE ARG 78 HE ARG 78 5.174 -0.359 -8.647 595 HH11 ARG 78 1HH1 ARG 78 7.790 1.610 -9.829 596 HH12 ARG 78 2HH1 ARG 78 8.792 0.260 -10.246 597 HH21 ARG 78 1HH2 ARG 78 6.483 -2.146 -9.192 598 HH22 ARG 78 2HH2 ARG 78 8.047 -1.877 -9.884 599 H PHE 79 H PHE 79 3.491 4.780 -7.509 600 HA PHE 79 HA PHE 79 1.582 5.281 -5.343 601 HB2 PHE 79 1HB PHE 79 2.756 7.397 -7.156 602 HB3 PHE 79 2HB PHE 79 1.359 7.649 -6.115 603 HD1 PHE 79 HD2 PHE 79 4.921 6.581 -5.986 604 HD2 PHE 79 HD1 PHE 79 1.664 8.431 -3.965 605 HE1 PHE 79 HE2 PHE 79 6.419 7.183 -4.130 606 HE2 PHE 79 HE1 PHE 79 3.157 9.037 -2.106 607 HZ PHE 79 HZ PHE 79 5.538 8.411 -2.186 608 H LYS 80 H LYS 80 -0.276 4.451 -6.008 609 HA LYS 80 HA LYS 80 -0.946 4.565 -8.869 610 HB2 LYS 80 1HB LYS 80 -0.924 2.311 -8.041 611 HB3 LYS 80 2HB LYS 80 -1.915 2.752 -6.657 612 HG2 LYS 80 1HG LYS 80 -3.390 1.674 -8.096 613 HG3 LYS 80 2HG LYS 80 -3.702 3.390 -8.373 614 HD2 LYS 80 1HD LYS 80 -2.359 3.353 -10.380 615 HD3 LYS 80 2HD LYS 80 -1.887 1.680 -10.073 616 HE2 LYS 80 1HE LYS 80 -4.449 1.234 -10.104 617 HE3 LYS 80 2HE LYS 80 -4.528 2.777 -10.953 618 HZ1 LYS 80 1HZ LYS 80 -2.916 1.861 -12.566 619 HZ2 LYS 80 2HZ LYS 80 -4.387 1.027 -12.549 620 HZ3 LYS 80 3HZ LYS 80 -3.027 0.359 -11.796 621 H ARG 81 H ARG 81 -2.875 5.418 -9.569 622 HA ARG 81 HA ARG 81 -4.288 7.083 -7.611 623 HB2 ARG 81 1HB ARG 81 -3.250 8.011 -9.783 624 HB3 ARG 81 2HB ARG 81 -4.610 7.249 -10.597 625 HG2 ARG 81 1HG ARG 81 -5.086 9.101 -8.304 626 HG3 ARG 81 2HG ARG 81 -4.754 9.740 -9.915 627 HD2 ARG 81 1HD ARG 81 -6.953 7.798 -9.213 628 HD3 ARG 81 2HD ARG 81 -7.162 9.529 -9.479 629 HE ARG 81 HE ARG 81 -5.926 8.216 -11.698 630 HH11 ARG 81 1HH1 ARG 81 -8.974 8.909 -10.167 631 HH12 ARG 81 2HH1 ARG 81 -9.890 8.769 -11.631 632 HH21 ARG 81 1HH2 ARG 81 -7.120 8.028 -13.632 633 HH22 ARG 81 2HH2 ARG 81 -8.835 8.267 -13.601 634 H ILE 82 H ILE 82 -5.876 5.891 -6.711 635 HA ILE 82 HA ILE 82 -7.556 4.215 -8.421 636 HB ILE 82 HB ILE 82 -7.629 4.479 -5.414 637 HG12 ILE 82 1HG1 ILE 82 -5.444 3.634 -6.281 638 HG13 ILE 82 2HG1 ILE 82 -6.317 2.454 -5.309 639 HG21 ILE 82 1HG2 ILE 82 -8.640 2.074 -5.863 640 HG22 ILE 82 2HG2 ILE 82 -9.641 3.525 -5.894 641 HG23 ILE 82 3HG2 ILE 82 -9.071 2.814 -7.404 642 HD11 ILE 82 1HD1 ILE 82 -6.129 1.004 -6.961 643 HD12 ILE 82 2HD1 ILE 82 -7.103 2.060 -7.984 644 HD13 ILE 82 3HD1 ILE 82 -5.347 2.220 -7.971 645 H SER 83 H SER 83 -8.118 6.494 -5.730 646 HA SER 83 HA SER 83 -10.607 7.314 -7.078 647 HB2 SER 83 1HB SER 83 -10.727 6.205 -4.767 648 HB3 SER 83 2HB SER 83 -10.024 7.698 -4.144 649 HG SER 83 HG SER 83 -12.079 8.228 -4.063 650 H GLY 84 H GLY 84 -11.250 9.623 -6.004 651 HA2 GLY 84 1HA GLY 84 -10.824 11.878 -6.014 652 HA3 GLY 84 2HA GLY 84 -9.190 11.475 -5.507 653 H THR 85 H THR 85 -10.638 13.275 -7.643 654 HA THR 85 HA THR 85 -9.769 12.510 -10.181 655 HB THR 85 HB THR 85 -11.346 14.401 -9.675 656 HG1 THR 85 HG1 THR 85 -10.354 15.760 -11.398 657 HG21 THR 85 1HG2 THR 85 -10.413 16.606 -9.226 658 HG22 THR 85 2HG2 THR 85 -8.789 15.923 -9.153 659 HG23 THR 85 3HG2 THR 85 -9.985 15.487 -7.933 660 H SER 86 H SER 86 -8.055 13.588 -11.480 661 HA SER 86 HA SER 86 -5.535 13.005 -10.685 662 HB2 SER 86 1HB SER 86 -4.782 14.841 -12.312 663 HB3 SER 86 2HB SER 86 -5.838 13.585 -12.957 664 HG SER 86 HG SER 86 -7.597 15.056 -12.604 665 H ILE 87 H ILE 87 -6.877 16.309 -10.543 666 HA ILE 87 HA ILE 87 -4.841 17.612 -9.282 667 HB ILE 87 HB ILE 87 -7.801 17.964 -8.807 668 HG12 ILE 87 1HG1 ILE 87 -5.979 19.693 -10.468 669 HG13 ILE 87 2HG1 ILE 87 -6.762 18.269 -11.145 670 HG21 ILE 87 1HG2 ILE 87 -6.841 19.023 -6.968 671 HG22 ILE 87 2HG2 ILE 87 -5.445 19.573 -7.893 672 HG23 ILE 87 3HG2 ILE 87 -7.021 20.323 -8.145 673 HD11 ILE 87 1HD1 ILE 87 -8.035 20.243 -11.666 674 HD12 ILE 87 2HD1 ILE 87 -8.947 19.226 -10.549 675 HD13 ILE 87 3HD1 ILE 87 -8.128 20.672 -9.958 676 H ALA 88 H ALA 88 -7.655 16.413 -7.449 677 HA ALA 88 HA ALA 88 -6.687 16.663 -4.915 678 HB1 ALA 88 1HB ALA 88 -8.536 14.652 -6.135 679 HB2 ALA 88 2HB ALA 88 -8.100 14.550 -4.429 680 HB3 ALA 88 3HB ALA 88 -8.901 15.993 -5.050 681 H PHE 89 H PHE 89 -6.258 13.822 -7.018 682 HA PHE 89 HA PHE 89 -4.860 12.171 -5.331 683 HB2 PHE 89 1HB PHE 89 -5.516 11.416 -7.524 684 HB3 PHE 89 2HB PHE 89 -4.478 12.609 -8.297 685 HD1 PHE 89 HD1 PHE 89 -3.958 10.090 -5.592 686 HD2 PHE 89 HD2 PHE 89 -2.726 11.604 -9.374 687 HE1 PHE 89 HE1 PHE 89 -2.124 8.450 -5.647 688 HE2 PHE 89 HE2 PHE 89 -0.891 9.966 -9.436 689 HZ PHE 89 HZ PHE 89 -0.589 8.386 -7.572 690 H LYS 90 H LYS 90 -3.406 14.530 -7.576 691 HA LYS 90 HA LYS 90 -0.763 14.205 -6.721 692 HB2 LYS 90 1HB LYS 90 -1.221 15.332 -8.790 693 HB3 LYS 90 2HB LYS 90 -2.165 16.570 -7.971 694 HG2 LYS 90 1HG LYS 90 -0.124 17.341 -6.833 695 HG3 LYS 90 2HG LYS 90 0.806 16.136 -7.728 696 HD2 LYS 90 1HD LYS 90 1.108 18.030 -9.018 697 HD3 LYS 90 2HD LYS 90 -0.263 17.259 -9.820 698 HE2 LYS 90 1HE LYS 90 -1.801 18.761 -8.852 699 HE3 LYS 90 2HE LYS 90 -0.620 19.336 -7.676 700 HZ1 LYS 90 1HZ LYS 90 -0.714 19.892 -10.582 701 HZ2 LYS 90 2HZ LYS 90 0.666 20.189 -9.651 702 HZ3 LYS 90 3HZ LYS 90 -0.778 20.999 -9.304 703 H ASN 91 H ASN 91 -3.123 16.714 -5.797 704 HA ASN 91 HA ASN 91 -1.807 18.282 -4.093 705 HB2 ASN 91 1HB ASN 91 -4.537 17.091 -3.937 706 HB3 ASN 91 2HB ASN 91 -3.945 17.981 -2.537 707 HD21 ASN 91 1HD2 ASN 91 -5.329 18.186 -5.609 708 HD22 ASN 91 2HD2 ASN 91 -5.270 19.903 -5.791 709 H ILE 92 H ILE 92 -3.453 15.441 -2.711 710 HA ILE 92 HA ILE 92 -1.986 15.444 -0.323 711 HB ILE 92 HB ILE 92 -4.090 14.283 -0.432 712 HG12 ILE 92 1HG1 ILE 92 -3.324 11.964 0.377 713 HG13 ILE 92 2HG1 ILE 92 -1.687 12.539 0.079 714 HG21 ILE 92 1HG2 ILE 92 -4.685 12.732 -1.965 715 HG22 ILE 92 2HG2 ILE 92 -3.411 13.506 -2.906 716 HG23 ILE 92 3HG2 ILE 92 -3.075 12.016 -2.026 717 HD11 ILE 92 1HD1 ILE 92 -1.755 14.037 1.809 718 HD12 ILE 92 2HD1 ILE 92 -3.514 14.171 1.769 719 HD13 ILE 92 3HD1 ILE 92 -2.753 12.731 2.445 720 H ALA 93 H ALA 93 -1.553 13.561 -3.301 721 HA ALA 93 HA ALA 93 0.400 11.807 -2.667 722 HB1 ALA 93 1HB ALA 93 1.263 12.043 -4.952 723 HB2 ALA 93 2HB ALA 93 -0.500 12.011 -4.913 724 HB3 ALA 93 3HB ALA 93 0.349 13.540 -5.134 725 H SER 94 H SER 94 0.975 15.222 -3.500 726 HA SER 94 HA SER 94 3.740 15.237 -3.243 727 HB2 SER 94 1HB SER 94 2.415 17.114 -4.169 728 HB3 SER 94 2HB SER 94 1.838 17.488 -2.545 729 HG SER 94 HG SER 94 4.428 17.752 -3.617 730 H LYS 95 H LYS 95 1.240 15.607 -0.782 731 HA LYS 95 HA LYS 95 2.824 16.380 1.371 732 HB2 LYS 95 1HB LYS 95 0.390 14.586 1.430 733 HB3 LYS 95 2HB LYS 95 1.051 15.471 2.799 734 HG2 LYS 95 1HG LYS 95 0.162 16.895 0.319 735 HG3 LYS 95 2HG LYS 95 -0.985 16.440 1.581 736 HD2 LYS 95 1HD LYS 95 -0.071 17.891 3.121 737 HD3 LYS 95 2HD LYS 95 1.510 17.895 2.335 738 HE2 LYS 95 1HE LYS 95 0.466 20.032 1.990 739 HE3 LYS 95 2HE LYS 95 0.514 19.168 0.453 740 HZ1 LYS 95 1HZ LYS 95 -1.891 18.696 1.951 741 HZ2 LYS 95 2HZ LYS 95 -1.698 19.137 0.330 742 HZ3 LYS 95 3HZ LYS 95 -1.682 20.323 1.537 743 H ILE 96 H ILE 96 2.028 13.126 0.205 744 HA ILE 96 HA ILE 96 3.454 11.759 2.246 745 HB ILE 96 HB ILE 96 2.758 10.736 -0.508 746 HG12 ILE 96 1HG1 ILE 96 0.826 11.674 0.850 747 HG13 ILE 96 2HG1 ILE 96 0.673 9.991 0.361 748 HG21 ILE 96 1HG2 ILE 96 2.647 8.560 0.938 749 HG22 ILE 96 2HG2 ILE 96 4.196 9.159 0.346 750 HG23 ILE 96 3HG2 ILE 96 3.713 9.464 2.014 751 HD11 ILE 96 1HD1 ILE 96 -0.058 10.296 2.645 752 HD12 ILE 96 2HD1 ILE 96 1.390 9.290 2.592 753 HD13 ILE 96 3HD1 ILE 96 1.509 10.982 3.076 754 H ALA 97 H ALA 97 4.214 12.074 -1.229 755 HA ALA 97 HA ALA 97 6.662 11.021 -1.418 756 HB1 ALA 97 1HB ALA 97 5.460 12.219 -3.234 757 HB2 ALA 97 2HB ALA 97 6.031 13.742 -2.550 758 HB3 ALA 97 3HB ALA 97 7.188 12.566 -3.175 759 H ASN 98 H ASN 98 6.005 14.233 -0.060 760 HA ASN 98 HA ASN 98 8.777 14.695 0.570 761 HB2 ASN 98 1HB ASN 98 7.361 16.591 0.013 762 HB3 ASN 98 2HB ASN 98 6.272 16.205 1.342 763 HD21 ASN 98 1HD2 ASN 98 6.540 18.174 2.341 764 HD22 ASN 98 2HD2 ASN 98 8.005 18.626 3.137 765 H GLU 99 H GLU 99 5.852 14.480 2.607 766 HA GLU 99 HA GLU 99 6.877 14.410 5.086 767 HB2 GLU 99 1HB GLU 99 4.649 12.845 3.851 768 HB3 GLU 99 2HB GLU 99 5.106 12.510 5.515 769 HG2 GLU 99 1HG GLU 99 4.272 15.193 4.436 770 HG3 GLU 99 2HG GLU 99 3.256 14.096 5.369 771 H LEU 100 H LEU 100 7.157 11.854 2.710 772 HA LEU 100 HA LEU 100 8.097 9.815 4.407 773 HB2 LEU 100 1HB LEU 100 8.562 10.329 1.476 774 HB3 LEU 100 2HB LEU 100 9.075 8.862 2.308 775 HG LEU 100 HG LEU 100 6.197 9.728 2.233 776 HD11 LEU 100 1HD1 LEU 100 6.286 7.742 0.427 777 HD12 LEU 100 2HD1 LEU 100 7.840 8.511 0.110 778 HD13 LEU 100 3HD1 LEU 100 6.353 9.452 0.001 779 HD21 LEU 100 1HD2 LEU 100 6.250 7.027 2.305 780 HD22 LEU 100 2HD2 LEU 100 6.180 8.054 3.738 781 HD23 LEU 100 3HD2 LEU 100 7.727 7.405 3.192 782 H LYS 101 H LYS 101 9.802 10.030 5.699 783 HA LYS 101 HA LYS 101 12.153 11.498 4.734 784 HB2 LYS 101 1HB LYS 101 11.255 10.707 7.504 785 HB3 LYS 101 2HB LYS 101 12.849 11.371 7.172 786 HG2 LYS 101 1HG LYS 101 10.273 12.771 6.499 787 HG3 LYS 101 2HG LYS 101 11.184 13.028 7.989 788 HD2 LYS 101 1HD LYS 101 13.173 13.542 6.450 789 HD3 LYS 101 2HD LYS 101 11.970 13.684 5.166 790 HE2 LYS 101 1HE LYS 101 11.820 15.215 7.755 791 HE3 LYS 101 2HE LYS 101 12.613 15.837 6.309 792 HZ1 LYS 101 1HZ LYS 101 9.937 14.848 5.872 793 HZ2 LYS 101 2HZ LYS 101 10.663 16.279 5.337 794 HZ3 LYS 101 3HZ LYS 101 10.017 16.190 6.898 795 H LEU 102 H LEU 102 12.767 9.691 3.364 796 HA LEU 102 HA LEU 102 13.730 7.316 4.774 797 HB2 LEU 102 1HB LEU 102 13.512 7.926 1.831 798 HB3 LEU 102 2HB LEU 102 14.107 6.410 2.504 799 HG LEU 102 HG LEU 102 11.352 7.378 3.167 800 HD11 LEU 102 1HD1 LEU 102 11.981 5.669 0.775 801 HD12 LEU 102 2HD1 LEU 102 11.710 7.408 0.669 802 HD13 LEU 102 3HD1 LEU 102 10.426 6.350 1.253 803 HD21 LEU 102 1HD2 LEU 102 12.344 4.572 2.774 804 HD22 LEU 102 2HD2 LEU 102 10.925 5.128 3.662 805 HD23 LEU 102 3HD2 LEU 102 12.541 5.424 4.305
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