REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2zch_1_L DATA FIRST_RESID 1 DATA SEQUENCE DIVLTQSPAS LAVSLGQRAT IScKASFDGD SYMNWYQQKP GQPPKLLIFA DATA SEQUENCE ASNLASGIPA RLSGSGSGTD FTLNIQPVEE EDAATYYcQQ SNEDPYTFGG DATA SEQUENCE GTKLEIKRAD AAPTVSIFPP SSEQLTSGGA SVVcFLNNFY PKDINVKWKI DATA SEQUENCE DGSERQNGVL NSWTDQDSKD STYSMSSTLT LTKDEYERHN SYTcEATHKT DATA SEQUENCE STSPIVKSFN R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.314 176.300 0.022 0.000 2.045 1 D CA 0.000 54.012 54.000 0.021 0.000 0.868 1 D CB 0.000 40.814 40.800 0.024 0.000 0.688 2 I N 1.210 121.794 120.570 0.023 0.000 2.352 2 I HA 0.272 4.442 4.170 0.001 0.000 0.290 2 I C 0.443 176.573 176.117 0.022 0.000 1.036 2 I CA -0.869 60.444 61.300 0.021 0.000 1.336 2 I CB 1.360 39.367 38.000 0.013 0.000 1.407 2 I HN 0.132 8.342 8.210 -0.000 0.000 0.497 3 V N 8.467 128.399 119.914 0.029 0.000 2.539 3 V HA 0.513 4.633 4.120 0.001 0.000 0.292 3 V C -0.516 175.599 176.094 0.035 0.000 1.045 3 V CA -0.388 61.933 62.300 0.034 0.000 0.945 3 V CB 1.567 33.413 31.823 0.038 0.000 0.993 3 V HN 0.547 8.737 8.190 -0.000 0.000 0.464 4 L N 6.047 127.292 121.223 0.036 0.000 2.342 4 L HA 0.491 4.831 4.340 0.001 0.000 0.276 4 L C -0.211 176.693 176.870 0.057 0.000 0.997 4 L CA -0.385 54.474 54.840 0.031 0.000 0.838 4 L CB 1.959 44.009 42.059 -0.014 0.000 1.224 4 L HN 0.613 8.843 8.230 -0.000 0.000 0.416 5 T N 2.482 117.077 114.554 0.068 0.000 2.743 5 T HA 0.305 4.656 4.350 0.001 0.000 0.292 5 T C -0.052 174.707 174.700 0.100 0.000 0.972 5 T CA -0.504 61.644 62.100 0.080 0.000 0.967 5 T CB 1.053 69.963 68.868 0.072 0.000 0.926 5 T HN 0.454 8.694 8.240 -0.000 0.000 0.459 6 Q N 1.774 121.642 119.800 0.113 0.000 2.299 6 Q HA 0.569 4.910 4.340 0.001 0.000 0.246 6 Q C -0.151 175.922 176.000 0.121 0.000 0.935 6 Q CA -0.492 55.398 55.803 0.145 0.000 0.887 6 Q CB 1.380 30.217 28.738 0.164 0.000 1.223 6 Q HN 0.608 8.878 8.270 -0.000 0.000 0.439 7 S N 2.062 117.839 115.700 0.129 0.000 2.572 7 S HA 0.562 5.032 4.470 0.001 0.000 0.274 7 S C -2.657 171.991 174.600 0.081 0.000 1.150 7 S CA -1.344 56.911 58.200 0.091 0.000 0.944 7 S CB 1.480 64.727 63.200 0.078 0.000 1.071 7 S HN 0.374 8.684 8.310 -0.000 0.000 0.479 8 P HA 0.417 4.837 4.420 -0.000 0.000 0.282 8 P C 0.478 177.811 177.300 0.055 0.000 1.287 8 P CA -0.391 62.738 63.100 0.049 0.000 0.792 8 P CB 0.804 32.524 31.700 0.034 0.000 1.163 9 A N 0.137 122.984 122.820 0.045 0.000 1.898 9 A HA 0.088 4.409 4.320 0.001 0.000 0.214 9 A C 0.934 178.541 177.584 0.038 0.000 1.183 9 A CA 1.247 53.309 52.037 0.043 0.000 0.622 9 A CB -0.775 18.245 19.000 0.034 0.000 0.824 9 A HN 0.575 8.725 8.150 -0.000 0.000 0.444 10 S N -1.358 114.361 115.700 0.033 0.000 2.536 10 S HA 0.690 5.161 4.470 0.001 0.000 0.287 10 S C -1.022 173.600 174.600 0.037 0.000 1.101 10 S CA -0.437 57.784 58.200 0.035 0.000 0.950 10 S CB 1.768 64.981 63.200 0.021 0.000 1.056 10 S HN 0.429 8.739 8.310 -0.000 0.000 0.481 11 L N 2.167 123.418 121.223 0.048 0.000 2.470 11 L HA 0.796 5.136 4.340 0.001 0.000 0.268 11 L C -1.253 175.653 176.870 0.059 0.000 0.964 11 L CA -0.576 54.288 54.840 0.040 0.000 0.839 11 L CB 1.512 43.583 42.059 0.019 0.000 1.276 11 L HN 0.843 9.073 8.230 -0.000 0.000 0.403 12 A N 4.902 127.760 122.820 0.063 0.000 2.303 12 A HA 0.804 5.125 4.320 0.001 0.000 0.320 12 A C -1.331 176.287 177.584 0.057 0.000 1.192 12 A CA -0.431 51.661 52.037 0.091 0.000 0.821 12 A CB 1.637 20.717 19.000 0.134 0.000 1.188 12 A HN 0.447 8.597 8.150 -0.000 0.000 0.492 13 V N 1.773 121.713 119.914 0.043 0.000 2.925 13 V HA 0.455 4.576 4.120 0.001 0.000 0.311 13 V C 0.209 176.301 176.094 -0.003 0.000 1.104 13 V CA -0.548 61.758 62.300 0.010 0.000 0.954 13 V CB 2.589 34.405 31.823 -0.012 0.000 1.022 13 V HN 0.958 9.148 8.190 -0.000 0.000 0.427 14 S N 3.389 119.079 115.700 -0.016 0.000 2.584 14 S HA 0.503 4.974 4.470 0.001 0.000 0.273 14 S C -0.194 174.384 174.600 -0.037 0.000 1.311 14 S CA -0.439 57.740 58.200 -0.034 0.000 1.034 14 S CB 0.991 64.172 63.200 -0.032 0.000 0.939 14 S HN 0.498 8.808 8.310 -0.000 0.000 0.513 15 L N 2.558 123.753 121.223 -0.047 0.000 2.573 15 L HA 0.213 4.554 4.340 0.001 0.000 0.290 15 L C 1.568 178.417 176.870 -0.034 0.000 1.247 15 L CA 2.055 56.870 54.840 -0.041 0.000 0.876 15 L CB -0.533 41.498 42.059 -0.047 0.000 1.123 15 L HN 1.018 9.248 8.230 -0.000 0.000 0.505 16 G N 1.376 110.157 108.800 -0.031 0.000 2.245 16 G HA2 -0.327 3.633 3.960 0.001 0.000 0.264 16 G HA3 -0.327 3.633 3.960 0.001 0.000 0.264 16 G C 0.493 175.375 174.900 -0.030 0.000 0.985 16 G CA 0.599 45.682 45.100 -0.029 0.000 0.625 16 G HN 0.630 8.920 8.290 -0.000 0.000 0.536 17 Q N -0.361 119.420 119.800 -0.032 0.000 2.173 17 Q HA 0.735 5.076 4.340 0.001 0.000 0.186 17 Q C 0.641 176.616 176.000 -0.041 0.000 1.018 17 Q CA -0.623 55.161 55.803 -0.033 0.000 1.064 17 Q CB 0.412 29.133 28.738 -0.028 0.000 1.130 17 Q HN 0.413 8.683 8.270 -0.000 0.000 0.553 18 R N 0.123 120.597 120.500 -0.043 0.000 2.338 18 R HA 0.733 5.074 4.340 0.001 0.000 0.317 18 R C -1.561 174.699 176.300 -0.066 0.000 0.968 18 R CA -0.378 55.687 56.100 -0.057 0.000 0.849 18 R CB 0.841 31.109 30.300 -0.053 0.000 1.128 18 R HN 0.585 8.855 8.270 -0.000 0.000 0.448 19 A N 3.093 125.857 122.820 -0.093 0.000 2.324 19 A HA 0.630 4.951 4.320 0.001 0.000 0.330 19 A C -0.885 176.612 177.584 -0.145 0.000 1.165 19 A CA -0.505 51.464 52.037 -0.114 0.000 0.813 19 A CB 1.763 20.677 19.000 -0.144 0.000 1.197 19 A HN 0.717 8.867 8.150 -0.000 0.000 0.484 20 T N 2.809 117.286 114.554 -0.128 0.000 2.916 20 T HA 0.568 4.918 4.350 0.001 0.000 0.298 20 T C -0.737 173.890 174.700 -0.120 0.000 1.031 20 T CA -0.253 61.766 62.100 -0.136 0.000 0.993 20 T CB 0.953 69.771 68.868 -0.084 0.000 1.045 20 T HN 0.453 8.693 8.240 -0.000 0.000 0.454 21 I N 2.186 122.661 120.570 -0.157 0.000 2.545 21 I HA 0.492 4.663 4.170 0.001 0.000 0.292 21 I C 0.043 176.204 176.117 0.073 0.000 1.040 21 I CA -0.744 60.521 61.300 -0.059 0.000 1.068 21 I CB 2.049 39.974 38.000 -0.124 0.000 1.251 21 I HN 0.537 8.747 8.210 -0.000 0.000 0.424 22 S N 3.793 119.599 115.700 0.177 0.000 2.549 22 S HA 0.504 4.975 4.470 0.001 0.000 0.297 22 S C -0.645 174.159 174.600 0.341 0.000 1.115 22 S CA -0.518 57.834 58.200 0.253 0.000 1.059 22 S CB 2.049 65.338 63.200 0.149 0.000 1.046 22 S HN 0.752 9.062 8.310 -0.000 0.000 0.506 23 c N 3.741 122.557 118.600 0.361 0.000 2.442 23 c HA 0.595 5.165 4.570 0.001 0.000 0.335 23 c C -0.614 173.610 174.090 0.224 0.000 1.134 23 c CA -0.736 55.734 56.329 0.236 0.000 1.344 23 c CB -0.250 42.300 42.510 0.066 0.000 1.956 23 c HN 0.955 9.185 8.230 -0.000 0.000 0.438 24 K N 4.424 124.916 120.400 0.153 0.000 2.274 24 K HA 0.748 5.069 4.320 0.001 0.000 0.262 24 K C -0.229 176.441 176.600 0.116 0.000 0.961 24 K CA -0.147 56.222 56.287 0.137 0.000 0.833 24 K CB 1.530 34.087 32.500 0.095 0.000 1.102 24 K HN 0.846 9.096 8.250 -0.000 0.000 0.436 25 A N 1.900 124.803 122.820 0.139 0.000 2.303 25 A HA 0.253 4.574 4.320 0.001 0.000 0.317 25 A C 0.721 178.353 177.584 0.080 0.000 1.149 25 A CA -0.462 51.639 52.037 0.107 0.000 0.822 25 A CB 0.893 19.981 19.000 0.146 0.000 1.131 25 A HN 0.852 9.002 8.150 -0.000 0.000 0.493 26 S N 0.516 116.252 115.700 0.060 0.000 2.603 26 S HA 0.191 4.661 4.470 0.001 0.000 0.220 26 S C -0.077 174.552 174.600 0.048 0.000 0.967 26 S CA 0.235 58.464 58.200 0.049 0.000 0.920 26 S CB -0.420 62.804 63.200 0.040 0.000 0.773 26 S HN 0.723 9.033 8.310 -0.000 0.000 0.529 27 F N 1.587 121.721 119.950 0.307 0.000 2.561 27 F HA 0.442 4.969 4.527 0.001 0.000 0.313 27 F C -0.221 175.674 175.800 0.158 0.000 1.126 27 F CA -0.659 57.469 58.000 0.213 0.000 0.918 27 F CB 1.096 40.221 39.000 0.208 0.000 1.199 27 F HN -0.057 8.243 8.300 -0.000 0.000 0.444 28 D N 2.581 122.477 120.400 -0.840 0.000 3.584 28 D HA -0.297 4.344 4.640 0.001 0.000 0.153 28 D C 1.531 177.703 176.300 -0.214 0.000 0.949 28 D CA 2.051 55.715 54.000 -0.560 0.000 1.011 28 D CB -1.039 39.364 40.800 -0.662 0.000 0.476 28 D HN 0.815 9.185 8.370 -0.000 0.000 0.460 29 G N 0.680 109.386 108.800 -0.156 0.000 2.604 29 G HA2 -0.153 3.808 3.960 0.001 0.000 0.216 29 G HA3 -0.153 3.808 3.960 0.001 0.000 0.216 29 G C 0.298 175.174 174.900 -0.040 0.000 1.265 29 G CA 1.934 46.989 45.100 -0.074 0.000 0.804 29 G HN 0.749 9.039 8.290 -0.000 0.000 0.579 30 D N -0.383 119.995 120.400 -0.036 0.000 2.383 30 D HA 0.446 5.087 4.640 0.001 0.000 0.248 30 D C -0.286 175.928 176.300 -0.143 0.000 1.170 30 D CA -0.546 53.397 54.000 -0.095 0.000 0.977 30 D CB 1.268 41.983 40.800 -0.143 0.000 1.120 30 D HN 0.106 8.476 8.370 -0.000 0.000 0.481 31 S N -0.696 114.873 115.700 -0.219 0.000 2.509 31 S HA 0.387 4.858 4.470 0.001 0.000 0.297 31 S C -0.947 173.376 174.600 -0.462 0.000 1.118 31 S CA -0.752 57.356 58.200 -0.153 0.000 1.074 31 S CB 0.256 63.470 63.200 0.025 0.000 1.038 31 S HN 0.414 8.724 8.310 -0.000 0.000 0.498 32 Y N 2.717 122.994 120.300 -0.039 0.000 2.774 32 Y HA 0.414 4.965 4.550 0.001 0.000 0.305 32 Y C 0.113 175.866 175.900 -0.245 0.000 1.067 32 Y CA -0.569 57.464 58.100 -0.112 0.000 1.304 32 Y CB 0.249 38.648 38.460 -0.103 0.000 1.209 32 Y HN 0.541 8.821 8.280 -0.000 0.000 0.543 33 M N 2.030 121.459 119.600 -0.284 0.000 2.238 33 M HA 0.436 4.916 4.480 0.001 0.000 0.350 33 M C -1.336 174.750 176.300 -0.357 0.000 1.138 33 M CA -0.078 54.916 55.300 -0.510 0.000 1.040 33 M CB 0.512 32.438 32.600 -1.123 0.000 1.639 33 M HN 0.067 8.357 8.290 -0.000 0.000 0.451 34 N N 3.762 122.252 118.700 -0.350 0.000 2.262 34 N HA 0.489 5.230 4.740 0.001 0.000 0.295 34 N C -1.983 173.354 175.510 -0.289 0.000 1.161 34 N CA -0.333 52.590 53.050 -0.212 0.000 0.767 34 N CB 1.421 39.844 38.487 -0.108 0.000 1.499 34 N HN 0.694 9.074 8.380 -0.000 0.000 0.476 35 W N 0.619 121.821 121.300 -0.164 0.000 2.736 35 W HA 0.529 5.189 4.660 0.001 0.000 0.335 35 W C -0.825 175.590 176.519 -0.173 0.000 1.059 35 W CA -0.469 56.876 57.345 -0.001 0.000 1.226 35 W CB 1.137 30.626 29.460 0.049 0.000 1.416 35 W HN 0.377 8.557 8.180 -0.000 0.000 0.505 36 Y N 0.914 121.502 120.300 0.480 0.000 2.524 36 Y HA 0.373 4.923 4.550 0.001 0.000 0.347 36 Y C -0.164 175.918 175.900 0.302 0.000 1.005 36 Y CA -1.397 56.914 58.100 0.352 0.000 1.025 36 Y CB 2.328 40.983 38.460 0.326 0.000 1.275 36 Y HN 0.346 8.626 8.280 -0.000 0.000 0.460 37 Q N 2.516 122.486 119.800 0.283 0.000 2.309 37 Q HA 0.519 4.859 4.340 0.001 0.000 0.264 37 Q C -1.599 174.419 176.000 0.029 0.000 1.008 37 Q CA -0.824 54.947 55.803 -0.054 0.000 0.853 37 Q CB 2.250 30.906 28.738 -0.137 0.000 1.314 37 Q HN 0.783 9.053 8.270 -0.000 0.000 0.448 38 Q N 2.790 122.553 119.800 -0.061 0.000 2.271 38 Q HA 0.387 4.728 4.340 0.001 0.000 0.268 38 Q C -1.681 174.304 176.000 -0.025 0.000 1.021 38 Q CA -0.588 55.229 55.803 0.024 0.000 0.802 38 Q CB 1.863 30.684 28.738 0.138 0.000 1.282 38 Q HN 0.612 8.882 8.270 -0.000 0.000 0.431 39 K N 3.333 123.730 120.400 -0.004 0.000 2.156 39 K HA 0.564 4.884 4.320 0.001 0.000 0.250 39 K C -2.517 174.096 176.600 0.021 0.000 0.955 39 K CA -1.981 54.308 56.287 0.003 0.000 0.855 39 K CB 1.362 33.863 32.500 0.002 0.000 1.101 39 K HN 0.403 8.653 8.250 -0.000 0.000 0.434 40 P HA -0.008 4.412 4.420 -0.000 0.000 0.269 40 P C 0.587 177.902 177.300 0.024 0.000 1.215 40 P CA 0.483 63.603 63.100 0.032 0.000 0.780 40 P CB 0.522 32.247 31.700 0.042 0.000 0.898 41 G N 0.485 109.298 108.800 0.021 0.000 2.245 41 G HA2 -0.258 3.703 3.960 0.001 0.000 0.264 41 G HA3 -0.258 3.703 3.960 0.001 0.000 0.264 41 G C 0.054 174.960 174.900 0.010 0.000 0.985 41 G CA 0.115 45.224 45.100 0.014 0.000 0.625 41 G HN 0.617 8.907 8.290 -0.000 0.000 0.536 42 Q N 0.166 119.973 119.800 0.013 0.000 2.359 42 Q HA 0.572 4.912 4.340 0.001 0.000 0.275 42 Q C -2.748 173.259 176.000 0.011 0.000 1.082 42 Q CA -2.155 53.656 55.803 0.013 0.000 0.849 42 Q CB 1.977 30.726 28.738 0.018 0.000 1.377 42 Q HN 0.172 8.442 8.270 -0.000 0.000 0.452 43 P HA 0.181 4.601 4.420 -0.000 0.000 0.274 43 P C -2.499 174.824 177.300 0.039 0.000 1.231 43 P CA -1.191 61.916 63.100 0.010 0.000 0.790 43 P CB -0.297 31.413 31.700 0.017 0.000 0.951 44 P HA 0.128 4.548 4.420 -0.000 0.000 0.268 44 P C -0.561 176.855 177.300 0.193 0.000 1.208 44 P CA 0.087 63.258 63.100 0.119 0.000 0.777 44 P CB 0.405 32.145 31.700 0.066 0.000 0.875 45 K N 2.241 122.791 120.400 0.250 0.000 2.376 45 K HA 0.411 4.732 4.320 0.001 0.000 0.257 45 K C -0.955 175.805 176.600 0.266 0.000 0.939 45 K CA -0.990 55.424 56.287 0.212 0.000 0.809 45 K CB 0.803 33.379 32.500 0.127 0.000 1.121 45 K HN 0.252 8.502 8.250 -0.000 0.000 0.425 46 L N 5.144 126.480 121.223 0.188 0.000 2.410 46 L HA 0.097 4.437 4.340 0.001 0.000 0.273 46 L C -0.238 176.634 176.870 0.004 0.000 1.152 46 L CA 0.203 55.018 54.840 -0.042 0.000 0.855 46 L CB 0.667 42.690 42.059 -0.060 0.000 1.129 46 L HN 0.843 9.073 8.230 -0.000 0.000 0.463 47 L N 5.375 126.586 121.223 -0.021 0.000 2.488 47 L HA 0.409 4.749 4.340 0.001 0.000 0.186 47 L C 0.116 177.040 176.870 0.090 0.000 1.124 47 L CA 0.720 55.606 54.840 0.076 0.000 0.838 47 L CB -0.237 41.909 42.059 0.144 0.000 1.107 47 L HN 0.494 8.724 8.230 -0.000 0.000 0.494 48 I N -0.376 120.258 120.570 0.107 0.000 2.498 48 I HA 0.317 4.487 4.170 0.001 0.000 0.290 48 I C -0.816 175.390 176.117 0.149 0.000 1.032 48 I CA -0.573 60.798 61.300 0.118 0.000 1.073 48 I CB 1.779 39.869 38.000 0.150 0.000 1.251 48 I HN -0.017 8.193 8.210 -0.000 0.000 0.426 49 F N 4.048 123.977 119.950 -0.036 0.000 2.538 49 F HA 0.847 5.374 4.527 0.001 0.000 0.325 49 F C 0.725 176.489 175.800 -0.060 0.000 1.066 49 F CA -1.577 56.380 58.000 -0.072 0.000 0.946 49 F CB 1.149 40.103 39.000 -0.076 0.000 1.199 49 F HN 0.701 9.001 8.300 -0.000 0.000 0.473 50 A N 1.833 124.661 122.820 0.015 0.000 2.415 50 A HA 0.192 4.512 4.320 0.001 0.000 0.292 50 A C 1.526 179.041 177.584 -0.114 0.000 1.452 50 A CA 1.457 53.425 52.037 -0.116 0.000 0.750 50 A CB -2.030 16.897 19.000 -0.122 0.000 1.099 50 A HN 2.883 11.034 8.150 -0.000 0.000 0.391 51 A N -2.060 120.732 122.820 -0.047 0.000 3.310 51 A HA -0.254 4.067 4.320 0.001 0.000 0.240 51 A C 2.184 179.821 177.584 0.089 0.000 0.530 51 A CA 2.890 54.991 52.037 0.107 0.000 1.129 51 A CB -2.193 16.964 19.000 0.263 0.000 1.333 51 A HN 2.581 10.731 8.150 -0.000 0.000 0.674 52 S N -1.728 113.936 115.700 -0.061 0.000 2.820 52 S HA 0.259 4.730 4.470 0.001 0.000 0.265 52 S C -0.157 174.316 174.600 -0.211 0.000 1.043 52 S CA 0.198 58.344 58.200 -0.090 0.000 1.245 52 S CB -0.160 63.007 63.200 -0.055 0.000 1.187 52 S HN 0.616 8.926 8.310 -0.000 0.000 0.673 53 N N 3.351 121.792 118.700 -0.431 0.000 2.422 53 N HA 0.336 5.076 4.740 0.001 0.000 0.264 53 N C -0.573 174.660 175.510 -0.462 0.000 1.063 53 N CA -0.368 52.295 53.050 -0.646 0.000 0.959 53 N CB 1.713 39.282 38.487 -1.530 0.000 1.087 53 N HN 0.427 8.807 8.380 -0.000 0.000 0.483 54 L N 0.975 122.086 121.223 -0.186 0.000 2.360 54 L HA 0.464 4.805 4.340 0.001 0.000 0.276 54 L C 0.387 177.339 176.870 0.136 0.000 1.121 54 L CA -0.876 53.950 54.840 -0.023 0.000 0.845 54 L CB -0.181 41.869 42.059 -0.014 0.000 1.143 54 L HN 0.469 8.699 8.230 -0.000 0.000 0.452 55 A N 3.414 126.361 122.820 0.212 0.000 2.445 55 A HA 0.396 4.717 4.320 0.001 0.000 0.242 55 A C 0.696 178.367 177.584 0.144 0.000 1.075 55 A CA 0.143 52.341 52.037 0.269 0.000 0.777 55 A CB -0.151 18.959 19.000 0.185 0.000 1.013 55 A HN 1.038 9.188 8.150 -0.000 0.000 0.493 56 S N 0.882 116.653 115.700 0.118 0.000 2.626 56 S HA 0.361 4.832 4.470 0.001 0.000 0.303 56 S C 1.497 176.130 174.600 0.054 0.000 1.256 56 S CA 1.314 59.556 58.200 0.070 0.000 1.069 56 S CB -0.423 62.802 63.200 0.042 0.000 0.807 56 S HN 2.476 10.786 8.310 -0.000 0.000 0.500 57 G N 3.637 112.464 108.800 0.046 0.000 2.195 57 G HA2 -0.218 3.743 3.960 0.001 0.000 0.246 57 G HA3 -0.218 3.743 3.960 0.001 0.000 0.246 57 G C -0.106 174.818 174.900 0.040 0.000 0.984 57 G CA 0.174 45.297 45.100 0.038 0.000 0.633 57 G HN 0.712 9.002 8.290 -0.000 0.000 0.525 58 I N 2.557 123.154 120.570 0.046 0.000 2.331 58 I HA 0.471 4.642 4.170 0.001 0.000 0.292 58 I C -1.794 174.339 176.117 0.028 0.000 0.998 58 I CA -2.834 58.491 61.300 0.043 0.000 1.267 58 I CB 1.269 39.302 38.000 0.054 0.000 1.386 58 I HN -0.155 8.055 8.210 -0.000 0.000 0.476 59 P HA 0.053 4.473 4.420 -0.000 0.000 0.266 59 P C 0.222 177.522 177.300 -0.001 0.000 1.195 59 P CA -0.132 62.974 63.100 0.010 0.000 0.768 59 P CB 0.673 32.379 31.700 0.009 0.000 0.838 60 A N 3.740 126.555 122.820 -0.007 0.000 2.248 60 A HA -0.164 4.157 4.320 0.001 0.000 0.210 60 A C 1.778 179.345 177.584 -0.029 0.000 1.174 60 A CA 0.862 52.888 52.037 -0.019 0.000 0.750 60 A CB -0.743 18.247 19.000 -0.017 0.000 0.780 60 A HN 0.504 8.654 8.150 -0.000 0.000 0.478 61 R N -1.228 119.255 120.500 -0.027 0.000 2.241 61 R HA -0.011 4.329 4.340 0.001 0.000 0.224 61 R C -0.465 175.799 176.300 -0.059 0.000 1.101 61 R CA 0.339 56.416 56.100 -0.039 0.000 0.995 61 R CB -0.416 29.865 30.300 -0.031 0.000 0.870 61 R HN 0.350 8.620 8.270 -0.000 0.000 0.463 62 L N 0.417 121.606 121.223 -0.057 0.000 2.325 62 L HA 0.245 4.585 4.340 0.001 0.000 0.279 62 L C 0.247 177.061 176.870 -0.094 0.000 1.054 62 L CA 0.044 54.832 54.840 -0.087 0.000 0.804 62 L CB 1.832 43.852 42.059 -0.064 0.000 1.200 62 L HN -0.018 8.212 8.230 -0.000 0.000 0.436 63 S N 0.557 116.177 115.700 -0.134 0.000 2.596 63 S HA 0.974 5.445 4.470 0.001 0.000 0.270 63 S C -0.724 173.777 174.600 -0.165 0.000 1.155 63 S CA -0.281 57.846 58.200 -0.121 0.000 0.827 63 S CB 1.912 65.053 63.200 -0.097 0.000 1.130 63 S HN 0.894 9.204 8.310 -0.000 0.000 0.467 64 G N 0.081 108.817 108.800 -0.107 0.000 2.696 64 G HA2 0.779 4.740 3.960 0.001 0.000 0.295 64 G HA3 0.779 4.740 3.960 0.001 0.000 0.295 64 G C -0.926 173.990 174.900 0.027 0.000 1.398 64 G CA -0.194 44.867 45.100 -0.065 0.000 0.920 64 G HN 1.869 10.159 8.290 -0.000 0.000 0.492 65 S N -1.011 114.758 115.700 0.115 0.000 2.643 65 S HA 0.959 5.430 4.470 0.001 0.000 0.266 65 S C -0.035 174.665 174.600 0.166 0.000 1.130 65 S CA 0.218 58.486 58.200 0.113 0.000 0.817 65 S CB 1.405 64.620 63.200 0.024 0.000 1.107 65 S HN 2.751 11.061 8.310 -0.000 0.000 0.471 66 G N -0.026 108.795 108.800 0.035 0.000 2.331 66 G HA2 0.523 4.484 3.960 0.001 0.000 0.402 66 G HA3 0.523 4.484 3.960 0.001 0.000 0.402 66 G C -0.536 174.159 174.900 -0.341 0.000 1.275 66 G CA 0.436 45.407 45.100 -0.215 0.000 1.003 66 G HN 2.574 10.864 8.290 -0.000 0.000 0.500 67 S N -2.400 112.836 115.700 -0.774 0.000 2.663 67 S HA 0.835 5.306 4.470 0.001 0.000 0.264 67 S C 1.276 175.563 174.600 -0.523 0.000 1.112 67 S CA 0.745 58.657 58.200 -0.480 0.000 0.823 67 S CB 0.928 64.041 63.200 -0.145 0.000 1.111 67 S HN 3.122 11.432 8.310 -0.000 0.000 0.476 68 G N 1.398 110.128 108.800 -0.118 0.000 2.677 68 G HA2 -0.316 3.645 3.960 0.001 0.000 0.321 68 G HA3 -0.316 3.645 3.960 0.001 0.000 0.321 68 G C 0.802 175.727 174.900 0.041 0.000 1.181 68 G CA 1.760 46.843 45.100 -0.030 0.000 0.965 68 G HN 2.393 10.683 8.290 -0.000 0.000 0.548 69 T N -2.642 111.877 114.554 -0.058 0.000 3.145 69 T HA 0.499 4.849 4.350 0.001 0.000 0.281 69 T C -0.181 174.536 174.700 0.028 0.000 1.003 69 T CA 0.864 63.018 62.100 0.090 0.000 0.901 69 T CB 0.598 69.510 68.868 0.074 0.000 1.112 69 T HN 0.484 8.724 8.240 -0.000 0.000 0.535 70 D N 1.108 121.314 120.400 -0.323 0.000 2.402 70 D HA 0.401 5.041 4.640 0.001 0.000 0.252 70 D C -1.402 174.627 176.300 -0.453 0.000 1.294 70 D CA -0.243 53.628 54.000 -0.215 0.000 0.948 70 D CB 1.245 41.958 40.800 -0.145 0.000 1.202 70 D HN 0.225 8.595 8.370 -0.000 0.000 0.561 71 F N 0.592 120.610 119.950 0.113 0.000 2.579 71 F HA 0.533 5.060 4.527 0.001 0.000 0.324 71 F C 0.867 176.830 175.800 0.273 0.000 1.058 71 F CA -0.684 57.429 58.000 0.187 0.000 0.944 71 F CB 2.168 41.302 39.000 0.222 0.000 1.245 71 F HN -0.019 8.281 8.300 -0.000 0.000 0.477 72 T N 0.079 114.886 114.554 0.422 0.000 2.916 72 T HA 0.725 5.076 4.350 0.001 0.000 0.305 72 T C -1.750 172.926 174.700 -0.039 0.000 1.119 72 T CA -0.748 61.483 62.100 0.219 0.000 1.008 72 T CB 1.765 70.669 68.868 0.059 0.000 1.129 72 T HN 0.654 8.894 8.240 -0.000 0.000 0.480 73 L N 1.962 122.904 121.223 -0.468 0.000 2.346 73 L HA 0.865 5.206 4.340 0.001 0.000 0.274 73 L C -0.929 175.648 176.870 -0.487 0.000 1.007 73 L CA -0.392 53.944 54.840 -0.840 0.000 0.818 73 L CB 1.937 42.977 42.059 -1.699 0.000 1.284 73 L HN 0.964 9.194 8.230 -0.000 0.000 0.424 74 N N 3.553 122.027 118.700 -0.376 0.000 2.310 74 N HA 0.643 5.384 4.740 0.001 0.000 0.292 74 N C -1.775 173.596 175.510 -0.230 0.000 1.049 74 N CA -0.364 52.536 53.050 -0.251 0.000 0.849 74 N CB 1.545 39.932 38.487 -0.166 0.000 1.532 74 N HN 0.576 8.956 8.380 -0.000 0.000 0.479 75 I N 2.096 122.541 120.570 -0.209 0.000 2.436 75 I HA 0.404 4.575 4.170 0.001 0.000 0.289 75 I C -0.675 175.375 176.117 -0.111 0.000 1.010 75 I CA -0.468 60.736 61.300 -0.161 0.000 1.098 75 I CB 1.900 39.789 38.000 -0.185 0.000 1.266 75 I HN 0.384 8.594 8.210 -0.000 0.000 0.434 76 Q N 7.151 126.901 119.800 -0.083 0.000 2.313 76 Q HA 0.346 4.687 4.340 0.001 0.000 0.255 76 Q C -2.687 173.284 176.000 -0.047 0.000 0.944 76 Q CA -1.541 54.225 55.803 -0.062 0.000 0.881 76 Q CB 3.359 32.062 28.738 -0.059 0.000 1.375 76 Q HN 0.320 8.590 8.270 -0.000 0.000 0.422 77 P HA 0.127 4.547 4.420 -0.000 0.000 0.277 77 P C -0.321 176.956 177.300 -0.038 0.000 1.240 77 P CA -0.345 62.732 63.100 -0.038 0.000 0.798 77 P CB 1.032 32.714 31.700 -0.030 0.000 0.979 78 V N 2.837 122.727 119.914 -0.040 0.000 2.585 78 V HA 0.018 4.139 4.120 0.001 0.000 0.296 78 V C 0.990 177.070 176.094 -0.023 0.000 1.035 78 V CA 0.641 62.920 62.300 -0.035 0.000 1.084 78 V CB -0.416 31.385 31.823 -0.037 0.000 0.953 78 V HN 0.568 8.758 8.190 -0.000 0.000 0.483 79 E N 2.507 122.700 120.200 -0.012 0.000 2.299 79 E HA 0.321 4.672 4.350 0.001 0.000 0.260 79 E C 0.516 177.115 176.600 -0.001 0.000 0.944 79 E CA -0.730 55.665 56.400 -0.009 0.000 0.815 79 E CB 1.323 31.020 29.700 -0.004 0.000 1.252 79 E HN 0.739 9.099 8.360 -0.000 0.000 0.418 80 E N 0.858 121.053 120.200 -0.009 0.000 2.114 80 E HA -0.294 4.056 4.350 0.001 0.000 0.199 80 E C 1.300 177.904 176.600 0.006 0.000 1.008 80 E CA 1.939 58.332 56.400 -0.011 0.000 0.810 80 E CB -0.464 29.224 29.700 -0.020 0.000 0.739 80 E HN 0.582 8.942 8.360 -0.000 0.000 0.456 81 E N 0.665 120.874 120.200 0.015 0.000 2.511 81 E HA -0.082 4.269 4.350 0.001 0.000 0.196 81 E C 0.439 177.073 176.600 0.056 0.000 1.066 81 E CA 0.735 57.151 56.400 0.026 0.000 0.871 81 E CB -0.009 29.704 29.700 0.023 0.000 0.863 81 E HN 0.157 8.517 8.360 -0.000 0.000 0.520 82 D N 1.315 121.759 120.400 0.074 0.000 2.339 82 D HA 0.098 4.739 4.640 0.001 0.000 0.217 82 D C 0.186 176.598 176.300 0.188 0.000 1.050 82 D CA 0.213 54.304 54.000 0.152 0.000 0.856 82 D CB 0.333 41.202 40.800 0.115 0.000 0.922 82 D HN 0.268 8.638 8.370 -0.000 0.000 0.518 83 A N 0.864 123.748 122.820 0.107 0.000 2.451 83 A HA 0.546 4.866 4.320 0.001 0.000 0.266 83 A C 0.419 178.054 177.584 0.085 0.000 1.119 83 A CA 0.325 52.426 52.037 0.106 0.000 0.786 83 A CB 0.121 19.155 19.000 0.058 0.000 1.061 83 A HN 0.206 8.356 8.150 -0.000 0.000 0.503 84 A N 2.180 125.061 122.820 0.100 0.000 2.361 84 A HA 0.684 5.005 4.320 0.001 0.000 0.297 84 A C -0.344 177.200 177.584 -0.067 0.000 1.036 84 A CA -0.331 51.677 52.037 -0.048 0.000 0.589 84 A CB 0.019 18.881 19.000 -0.230 0.000 1.418 84 A HN 0.958 9.108 8.150 -0.000 0.000 0.539 85 T N 0.737 115.156 114.554 -0.225 0.000 2.823 85 T HA 0.674 5.024 4.350 0.001 0.000 0.279 85 T C -1.479 172.940 174.700 -0.468 0.000 0.998 85 T CA 0.200 62.171 62.100 -0.215 0.000 0.994 85 T CB 0.555 69.320 68.868 -0.171 0.000 0.960 85 T HN 0.387 8.627 8.240 -0.000 0.000 0.448 86 Y N 1.266 121.467 120.300 -0.165 0.000 2.393 86 Y HA 0.571 5.122 4.550 0.001 0.000 0.341 86 Y C -0.653 175.201 175.900 -0.076 0.000 0.988 86 Y CA -1.058 57.055 58.100 0.022 0.000 1.078 86 Y CB 1.385 39.919 38.460 0.123 0.000 1.203 86 Y HN 0.599 8.879 8.280 -0.000 0.000 0.453 87 Y N 1.611 122.212 120.300 0.501 0.000 2.425 87 Y HA 0.546 5.097 4.550 0.001 0.000 0.344 87 Y C 0.139 176.229 175.900 0.317 0.000 0.969 87 Y CA -1.231 57.103 58.100 0.389 0.000 1.052 87 Y CB 1.464 40.139 38.460 0.359 0.000 1.215 87 Y HN 0.779 9.059 8.280 -0.000 0.000 0.451 88 c N 1.659 120.293 118.600 0.058 0.000 2.325 88 c HA 0.847 5.417 4.570 0.001 0.000 0.370 88 c C -0.610 173.345 174.090 -0.225 0.000 1.217 88 c CA -0.533 55.475 56.329 -0.535 0.000 2.254 88 c CB 1.503 43.295 42.510 -1.195 0.000 2.282 88 c HN 0.852 9.082 8.230 -0.000 0.000 0.564 89 Q N 1.198 120.767 119.800 -0.386 0.000 2.468 89 Q HA 0.374 4.714 4.340 0.001 0.000 0.263 89 Q C -1.981 173.762 176.000 -0.429 0.000 0.979 89 Q CA 0.052 55.576 55.803 -0.465 0.000 0.932 89 Q CB 2.221 30.583 28.738 -0.628 0.000 1.462 89 Q HN 1.044 9.314 8.270 -0.000 0.000 0.403 90 Q N 0.651 120.203 119.800 -0.413 0.000 2.337 90 Q HA 0.702 5.043 4.340 0.001 0.000 0.266 90 Q C -0.945 174.766 176.000 -0.482 0.000 1.023 90 Q CA -0.458 55.138 55.803 -0.345 0.000 0.829 90 Q CB 2.094 30.698 28.738 -0.222 0.000 1.306 90 Q HN 0.396 8.666 8.270 -0.000 0.000 0.449 91 S N 1.956 117.348 115.700 -0.514 0.000 2.664 91 S HA 0.115 4.585 4.470 0.001 0.000 0.245 91 S C 0.465 174.792 174.600 -0.455 0.000 1.019 91 S CA -0.209 57.402 58.200 -0.981 0.000 0.996 91 S CB -0.208 62.492 63.200 -0.833 0.000 0.878 91 S HN 0.794 9.104 8.310 -0.000 0.000 0.493 92 N N 2.628 121.182 118.700 -0.243 0.000 2.300 92 N HA 0.003 4.744 4.740 0.001 0.000 0.179 92 N C 0.283 175.694 175.510 -0.165 0.000 1.016 92 N CA 0.805 53.711 53.050 -0.241 0.000 0.876 92 N CB 0.367 38.818 38.487 -0.059 0.000 0.979 92 N HN 0.489 8.869 8.380 -0.000 0.000 0.432 93 E N -0.178 120.006 120.200 -0.026 0.000 2.321 93 E HA 0.117 4.468 4.350 0.001 0.000 0.281 93 E C -1.706 174.970 176.600 0.128 0.000 0.910 93 E CA -0.766 55.649 56.400 0.026 0.000 0.770 93 E CB 0.879 30.576 29.700 -0.006 0.000 1.225 93 E HN 0.061 8.421 8.360 -0.000 0.000 0.417 94 D N 5.203 125.641 120.400 0.063 0.000 2.390 94 D HA 0.194 4.835 4.640 0.001 0.000 0.249 94 D C -1.917 174.385 176.300 0.003 0.000 1.144 94 D CA -0.770 53.231 54.000 0.002 0.000 0.880 94 D CB 1.028 41.779 40.800 -0.083 0.000 1.182 94 D HN 0.300 8.670 8.370 -0.000 0.000 0.451 95 P HA 0.131 4.551 4.420 -0.000 0.000 0.282 95 P C -0.384 176.988 177.300 0.121 0.000 1.249 95 P CA -0.368 62.731 63.100 -0.002 0.000 0.806 95 P CB 0.715 32.413 31.700 -0.002 0.000 0.984 96 Y N 0.837 121.109 120.300 -0.047 0.000 2.578 96 Y HA 0.171 4.722 4.550 0.001 0.000 0.339 96 Y C 1.534 177.396 175.900 -0.065 0.000 1.231 96 Y CA -0.184 57.864 58.100 -0.086 0.000 1.461 96 Y CB 0.681 39.076 38.460 -0.109 0.000 1.323 96 Y HN 0.401 8.681 8.280 -0.000 0.000 0.590 97 T N -0.313 114.248 114.554 0.013 0.000 2.906 97 T HA 0.633 4.983 4.350 0.001 0.000 0.295 97 T C -1.078 173.520 174.700 -0.169 0.000 1.061 97 T CA -0.906 61.209 62.100 0.024 0.000 1.000 97 T CB 1.567 70.453 68.868 0.028 0.000 1.103 97 T HN 0.281 8.521 8.240 -0.000 0.000 0.486 98 F N 0.183 120.108 119.950 -0.041 0.000 2.523 98 F HA 0.738 5.265 4.527 0.001 0.000 0.329 98 F C 1.184 176.992 175.800 0.013 0.000 1.061 98 F CA -0.525 57.446 58.000 -0.049 0.000 0.967 98 F CB 1.629 40.546 39.000 -0.139 0.000 1.218 98 F HN 1.018 9.318 8.300 -0.000 0.000 0.480 99 G N -0.138 108.803 108.800 0.236 0.000 2.580 99 G HA2 0.395 4.356 3.960 0.001 0.000 0.278 99 G HA3 0.395 4.356 3.960 0.001 0.000 0.278 99 G C 0.962 176.048 174.900 0.310 0.000 1.212 99 G CA -0.286 44.933 45.100 0.198 0.000 0.939 99 G HN 0.920 9.210 8.290 -0.000 0.000 0.513 100 G N -1.274 107.660 108.800 0.225 0.000 2.498 100 G HA2 0.429 4.389 3.960 0.001 0.000 0.219 100 G HA3 0.429 4.389 3.960 0.001 0.000 0.219 100 G C 1.034 176.096 174.900 0.270 0.000 1.119 100 G CA 1.057 46.292 45.100 0.224 0.000 0.766 100 G HN 2.018 10.309 8.290 -0.000 0.000 0.552 101 G N -2.274 106.644 108.800 0.197 0.000 2.675 101 G HA2 0.192 4.152 3.960 0.001 0.000 0.686 101 G HA3 0.192 4.152 3.960 0.001 0.000 0.686 101 G C -0.624 174.232 174.900 -0.073 0.000 1.215 101 G CA -0.340 44.628 45.100 -0.219 0.000 0.777 101 G HN 0.645 8.935 8.290 -0.000 0.000 0.638 102 T N 1.643 116.145 114.554 -0.087 0.000 2.879 102 T HA 0.538 4.889 4.350 0.001 0.000 0.290 102 T C 0.031 174.766 174.700 0.058 0.000 0.993 102 T CA -0.636 61.487 62.100 0.038 0.000 0.975 102 T CB 1.752 70.688 68.868 0.113 0.000 0.981 102 T HN 0.689 8.929 8.240 -0.000 0.000 0.439 103 K N 2.877 123.312 120.400 0.057 0.000 2.227 103 K HA 0.514 4.835 4.320 0.001 0.000 0.280 103 K C -0.929 175.744 176.600 0.122 0.000 1.041 103 K CA -0.777 55.559 56.287 0.082 0.000 0.905 103 K CB 0.587 33.121 32.500 0.056 0.000 1.068 103 K HN 0.313 8.563 8.250 -0.000 0.000 0.470 104 L N 4.339 125.673 121.223 0.185 0.000 2.265 104 L HA 0.314 4.654 4.340 0.001 0.000 0.289 104 L C -0.836 176.122 176.870 0.147 0.000 1.033 104 L CA 0.105 55.041 54.840 0.160 0.000 0.814 104 L CB 1.235 43.421 42.059 0.212 0.000 1.203 104 L HN 0.677 8.907 8.230 -0.000 0.000 0.423 105 E N 5.694 125.971 120.200 0.129 0.000 2.145 105 E HA 0.321 4.672 4.350 0.001 0.000 0.270 105 E C -0.933 175.745 176.600 0.131 0.000 0.906 105 E CA -0.843 55.656 56.400 0.165 0.000 0.761 105 E CB 1.009 30.839 29.700 0.216 0.000 1.116 105 E HN 0.548 8.908 8.360 -0.000 0.000 0.408 106 I N 5.105 125.731 120.570 0.093 0.000 2.517 106 I HA 0.033 4.203 4.170 0.001 0.000 0.285 106 I C 0.580 176.685 176.117 -0.020 0.000 1.106 106 I CA 0.140 61.451 61.300 0.019 0.000 1.402 106 I CB -0.024 37.958 38.000 -0.031 0.000 1.399 106 I HN 0.552 8.762 8.210 -0.000 0.000 0.535 107 K N 8.318 128.689 120.400 -0.049 0.000 2.098 107 K HA 0.779 5.100 4.320 0.001 0.000 0.257 107 K C -0.363 176.018 176.600 -0.364 0.000 0.999 107 K CA -0.697 55.486 56.287 -0.173 0.000 0.924 107 K CB 1.485 34.002 32.500 0.029 0.000 1.028 107 K HN 0.766 9.016 8.250 -0.000 0.000 0.466 108 R N 0.038 120.148 120.500 -0.651 0.000 2.741 108 R HA 0.546 4.887 4.340 0.001 0.000 0.274 108 R C -1.468 174.623 176.300 -0.349 0.000 1.029 108 R CA -0.985 54.837 56.100 -0.463 0.000 0.880 108 R CB 0.491 30.505 30.300 -0.477 0.000 1.264 108 R HN 0.667 8.937 8.270 -0.000 0.000 0.465 109 A N 1.215 123.945 122.820 -0.150 0.000 2.531 109 A HA 0.138 4.458 4.320 0.001 0.000 0.236 109 A C -0.264 177.371 177.584 0.085 0.000 1.062 109 A CA 0.128 52.156 52.037 -0.015 0.000 0.760 109 A CB -0.203 18.797 19.000 -0.001 0.000 0.995 109 A HN 0.638 8.788 8.150 -0.000 0.000 0.501 110 D N 0.133 120.642 120.400 0.183 0.000 2.370 110 D HA 0.396 5.037 4.640 0.001 0.000 0.235 110 D C 0.201 176.651 176.300 0.251 0.000 1.228 110 D CA 1.784 55.958 54.000 0.290 0.000 0.884 110 D CB 0.667 41.597 40.800 0.218 0.000 1.201 110 D HN 0.884 9.254 8.370 -0.000 0.000 0.456 111 A N -0.024 122.999 122.820 0.339 0.000 2.532 111 A HA 0.581 4.901 4.320 0.001 0.000 0.296 111 A C -0.850 176.907 177.584 0.289 0.000 1.058 111 A CA -0.525 51.672 52.037 0.266 0.000 0.729 111 A CB 1.218 20.351 19.000 0.221 0.000 1.285 111 A HN 0.551 8.701 8.150 -0.000 0.000 0.396 112 A N 3.512 126.442 122.820 0.184 0.000 2.340 112 A HA 0.808 5.129 4.320 0.001 0.000 0.268 112 A C -2.269 175.337 177.584 0.036 0.000 1.100 112 A CA -1.444 50.643 52.037 0.083 0.000 0.803 112 A CB -0.241 18.810 19.000 0.085 0.000 1.043 112 A HN 0.593 8.743 8.150 -0.000 0.000 0.488 113 P HA 0.164 4.584 4.420 -0.000 0.000 0.271 113 P C -0.458 176.861 177.300 0.030 0.000 1.218 113 P CA 0.117 63.230 63.100 0.023 0.000 0.780 113 P CB 0.445 32.047 31.700 -0.164 0.000 0.901 114 T N 2.115 116.717 114.554 0.079 0.000 2.727 114 T HA 0.271 4.621 4.350 0.001 0.000 0.298 114 T C 0.335 175.075 174.700 0.068 0.000 0.942 114 T CA -0.292 61.845 62.100 0.061 0.000 0.997 114 T CB 0.104 69.015 68.868 0.071 0.000 0.917 114 T HN 0.085 8.325 8.240 -0.000 0.000 0.487 115 V N 3.567 123.498 119.914 0.029 0.000 2.539 115 V HA 0.583 4.703 4.120 0.001 0.000 0.292 115 V C 0.192 176.298 176.094 0.020 0.000 1.045 115 V CA -0.573 61.740 62.300 0.022 0.000 0.945 115 V CB 1.776 33.574 31.823 -0.043 0.000 0.993 115 V HN 0.938 9.128 8.190 -0.000 0.000 0.464 116 S N 4.144 119.871 115.700 0.046 0.000 2.575 116 S HA 0.656 5.127 4.470 0.001 0.000 0.278 116 S C -0.814 173.679 174.600 -0.178 0.000 1.139 116 S CA -0.361 57.803 58.200 -0.061 0.000 0.954 116 S CB 1.803 65.059 63.200 0.093 0.000 1.054 116 S HN 0.564 8.874 8.310 -0.000 0.000 0.483 117 I N 2.408 122.760 120.570 -0.364 0.000 2.525 117 I HA 0.708 4.879 4.170 0.001 0.000 0.301 117 I C -1.795 173.963 176.117 -0.599 0.000 0.992 117 I CA -0.853 60.295 61.300 -0.252 0.000 1.162 117 I CB 0.807 38.798 38.000 -0.015 0.000 1.332 117 I HN 0.581 8.791 8.210 -0.000 0.000 0.458 118 F N 7.125 127.025 119.950 -0.083 0.000 2.671 118 F HA 0.502 5.029 4.527 0.001 0.000 0.332 118 F C -2.344 173.264 175.800 -0.320 0.000 1.189 118 F CA -1.601 56.283 58.000 -0.194 0.000 0.988 118 F CB 1.315 40.221 39.000 -0.157 0.000 1.258 118 F HN 0.299 8.599 8.300 -0.000 0.000 0.471 119 P HA 0.275 4.695 4.420 -0.000 0.000 0.274 119 P C -2.579 174.530 177.300 -0.317 0.000 1.256 119 P CA -1.357 61.356 63.100 -0.645 0.000 0.795 119 P CB 0.133 31.194 31.700 -1.065 0.000 1.038 120 P HA 0.035 4.455 4.420 -0.000 0.000 0.267 120 P C -0.341 176.859 177.300 -0.166 0.000 1.200 120 P CA 0.217 63.142 63.100 -0.292 0.000 0.772 120 P CB 0.041 31.463 31.700 -0.464 0.000 0.855 121 S N 0.870 116.496 115.700 -0.123 0.000 2.572 121 S HA 0.063 4.534 4.470 0.001 0.000 0.279 121 S C 1.182 175.751 174.600 -0.053 0.000 1.341 121 S CA -0.385 57.771 58.200 -0.074 0.000 1.043 121 S CB 0.245 63.404 63.200 -0.067 0.000 0.887 121 S HN 0.422 8.732 8.310 -0.000 0.000 0.516 122 S N 1.107 116.791 115.700 -0.027 0.000 2.382 122 S HA -0.166 4.305 4.470 0.001 0.000 0.228 122 S C 1.673 176.266 174.600 -0.012 0.000 1.027 122 S CA 1.067 59.263 58.200 -0.008 0.000 0.991 122 S CB -0.495 62.705 63.200 0.000 0.000 0.823 122 S HN 0.887 9.197 8.310 -0.000 0.000 0.469 123 E N 1.226 121.414 120.200 -0.021 0.000 2.110 123 E HA -0.238 4.113 4.350 0.001 0.000 0.193 123 E C 2.257 178.841 176.600 -0.027 0.000 0.988 123 E CA 1.009 57.396 56.400 -0.021 0.000 0.804 123 E CB -0.100 29.585 29.700 -0.024 0.000 0.745 123 E HN 0.641 9.001 8.360 -0.000 0.000 0.458 124 Q N 0.174 119.949 119.800 -0.041 0.000 1.994 124 Q HA -0.148 4.193 4.340 0.001 0.000 0.198 124 Q C 2.442 178.421 176.000 -0.036 0.000 0.976 124 Q CA 1.165 56.938 55.803 -0.049 0.000 0.828 124 Q CB -0.030 28.660 28.738 -0.080 0.000 0.894 124 Q HN 0.310 8.580 8.270 -0.000 0.000 0.432 125 L N 0.214 121.419 121.223 -0.031 0.000 2.042 125 L HA -0.185 4.155 4.340 0.001 0.000 0.210 125 L C 2.138 179.014 176.870 0.011 0.000 1.076 125 L CA 1.471 56.312 54.840 0.002 0.000 0.749 125 L CB -0.513 41.567 42.059 0.035 0.000 0.893 125 L HN 0.180 8.409 8.230 -0.000 0.000 0.432 126 T N -1.520 113.037 114.554 0.005 0.000 3.440 126 T HA -0.082 4.269 4.350 0.001 0.000 0.260 126 T C 1.417 176.117 174.700 -0.000 0.000 1.188 126 T CA 1.123 63.226 62.100 0.005 0.000 1.020 126 T CB -0.293 68.576 68.868 0.002 0.000 0.963 126 T HN 0.465 8.705 8.240 -0.000 0.000 0.556 127 S N -0.974 114.724 115.700 -0.003 0.000 2.800 127 S HA 0.434 4.905 4.470 0.001 0.000 0.266 127 S C 1.412 176.009 174.600 -0.005 0.000 1.029 127 S CA 0.652 58.848 58.200 -0.007 0.000 1.302 127 S CB 0.277 63.469 63.200 -0.014 0.000 1.212 127 S HN 0.547 8.857 8.310 -0.000 0.000 0.683 128 G N 0.141 108.941 108.800 0.001 0.000 2.195 128 G HA2 -0.026 3.935 3.960 0.001 0.000 0.224 128 G HA3 -0.026 3.935 3.960 0.001 0.000 0.224 128 G C 0.519 175.420 174.900 0.001 0.000 0.990 128 G CA -0.068 45.035 45.100 0.005 0.000 0.639 128 G HN 1.253 9.543 8.290 -0.000 0.000 0.514 129 G N -0.590 108.201 108.800 -0.015 0.000 2.509 129 G HA2 0.884 4.845 3.960 0.001 0.000 0.328 129 G HA3 0.884 4.845 3.960 0.001 0.000 0.328 129 G C -0.396 174.464 174.900 -0.066 0.000 1.194 129 G CA -0.018 45.061 45.100 -0.035 0.000 0.967 129 G HN 1.654 9.944 8.290 -0.000 0.000 0.488 130 A N 0.183 122.940 122.820 -0.105 0.000 2.442 130 A HA 0.713 5.033 4.320 0.001 0.000 0.284 130 A C -0.520 176.913 177.584 -0.251 0.000 1.058 130 A CA -0.447 51.450 52.037 -0.233 0.000 0.738 130 A CB 1.415 20.240 19.000 -0.292 0.000 1.242 130 A HN 0.780 8.930 8.150 -0.000 0.000 0.421 131 S N 0.942 116.479 115.700 -0.271 0.000 2.519 131 S HA 0.595 5.066 4.470 0.001 0.000 0.309 131 S C -0.455 173.988 174.600 -0.262 0.000 1.100 131 S CA -0.491 57.566 58.200 -0.238 0.000 1.059 131 S CB 1.583 64.682 63.200 -0.169 0.000 1.008 131 S HN 0.726 9.036 8.310 -0.000 0.000 0.478 132 V N 4.129 123.890 119.914 -0.255 0.000 2.370 132 V HA 0.564 4.685 4.120 0.001 0.000 0.283 132 V C 0.056 176.150 176.094 0.001 0.000 1.023 132 V CA -0.731 61.497 62.300 -0.120 0.000 0.857 132 V CB 1.063 32.846 31.823 -0.066 0.000 0.985 132 V HN 0.714 8.904 8.190 -0.000 0.000 0.443 133 V N 2.689 122.636 119.914 0.055 0.000 2.628 133 V HA 0.910 5.030 4.120 0.001 0.000 0.306 133 V C -0.322 175.800 176.094 0.046 0.000 1.045 133 V CA -0.730 61.565 62.300 -0.009 0.000 0.905 133 V CB 1.484 33.161 31.823 -0.243 0.000 0.997 133 V HN 1.165 9.355 8.190 -0.000 0.000 0.436 134 c N 5.141 123.726 118.600 -0.025 0.000 2.551 134 c HA 0.829 5.399 4.570 0.001 0.000 0.332 134 c C -1.136 172.879 174.090 -0.124 0.000 1.139 134 c CA -0.563 55.722 56.329 -0.073 0.000 1.328 134 c CB 0.361 42.842 42.510 -0.047 0.000 1.903 134 c HN 0.819 9.049 8.230 -0.000 0.000 0.459 135 F N 4.051 124.099 119.950 0.162 0.000 2.404 135 F HA 0.748 5.275 4.527 0.001 0.000 0.339 135 F C 0.035 175.878 175.800 0.072 0.000 1.105 135 F CA -1.078 56.994 58.000 0.120 0.000 1.087 135 F CB 1.669 40.770 39.000 0.169 0.000 1.143 135 F HN 0.430 8.730 8.300 -0.000 0.000 0.491 136 L N 4.382 125.767 121.223 0.271 0.000 2.384 136 L HA 0.414 4.754 4.340 0.001 0.000 0.261 136 L C -0.648 176.436 176.870 0.356 0.000 1.024 136 L CA -0.367 54.584 54.840 0.186 0.000 0.899 136 L CB 0.397 42.468 42.059 0.020 0.000 1.243 136 L HN 0.411 8.641 8.230 -0.000 0.000 0.449 137 N N 1.564 120.436 118.700 0.287 0.000 2.466 137 N HA 0.410 5.150 4.740 0.001 0.000 0.294 137 N C -0.296 175.365 175.510 0.251 0.000 1.129 137 N CA -0.846 52.346 53.050 0.237 0.000 0.931 137 N CB 0.892 39.443 38.487 0.107 0.000 1.193 137 N HN 0.396 8.776 8.380 -0.000 0.000 0.500 138 N N -0.386 118.371 118.700 0.094 0.000 2.648 138 N HA -0.198 4.543 4.740 0.001 0.000 0.265 138 N C -1.608 173.981 175.510 0.131 0.000 1.100 138 N CA 0.540 53.609 53.050 0.032 0.000 0.715 138 N CB -1.452 37.062 38.487 0.046 0.000 0.881 138 N HN 0.473 8.853 8.380 -0.000 0.000 0.548 139 F N -1.714 118.296 119.950 0.100 0.000 2.576 139 F HA 0.789 5.316 4.527 0.001 0.000 0.313 139 F C -0.734 175.243 175.800 0.294 0.000 1.078 139 F CA -1.400 56.661 58.000 0.103 0.000 0.921 139 F CB 1.324 40.249 39.000 -0.124 0.000 1.232 139 F HN 0.011 8.311 8.300 -0.000 0.000 0.459 140 Y N 3.680 124.220 120.300 0.400 0.000 2.442 140 Y HA 0.644 5.194 4.550 0.001 0.000 0.344 140 Y C -2.752 173.435 175.900 0.479 0.000 0.976 140 Y CA -2.328 56.007 58.100 0.392 0.000 1.040 140 Y CB 2.764 41.335 38.460 0.185 0.000 1.228 140 Y HN 0.515 8.795 8.280 -0.000 0.000 0.451 141 P HA 0.133 4.553 4.420 -0.000 0.000 0.302 141 P C -0.342 177.008 177.300 0.085 0.000 1.307 141 P CA -0.171 62.566 63.100 -0.605 0.000 0.754 141 P CB 0.979 32.325 31.700 -0.590 0.000 1.298 142 K N -0.974 119.308 120.400 -0.197 0.000 2.286 142 K HA -0.086 4.235 4.320 0.001 0.000 0.203 142 K C -0.078 176.568 176.600 0.076 0.000 1.045 142 K CA 1.105 57.224 56.287 -0.279 0.000 0.935 142 K CB -0.854 31.154 32.500 -0.820 0.000 0.737 142 K HN 0.309 8.559 8.250 -0.000 0.000 0.460 143 D N 1.885 122.304 120.400 0.033 0.000 2.358 143 D HA 0.177 4.818 4.640 0.001 0.000 0.258 143 D C -0.004 176.379 176.300 0.138 0.000 1.223 143 D CA 0.439 54.452 54.000 0.021 0.000 0.886 143 D CB 0.902 41.665 40.800 -0.061 0.000 1.120 143 D HN 0.135 8.505 8.370 -0.000 0.000 0.482 144 I N 1.903 122.547 120.570 0.123 0.000 2.828 144 I HA 0.217 4.388 4.170 0.001 0.000 0.295 144 I C -1.691 174.473 176.117 0.079 0.000 1.459 144 I CA -0.522 60.836 61.300 0.096 0.000 1.015 144 I CB 2.658 40.579 38.000 -0.132 0.000 1.345 144 I HN 0.191 8.401 8.210 -0.000 0.000 0.449 145 N N 4.807 123.526 118.700 0.031 0.000 2.430 145 N HA 0.560 5.300 4.740 0.001 0.000 0.290 145 N C -1.313 174.194 175.510 -0.005 0.000 1.063 145 N CA -0.430 52.644 53.050 0.040 0.000 0.883 145 N CB 1.984 40.490 38.487 0.031 0.000 1.465 145 N HN 0.363 8.743 8.380 -0.000 0.000 0.493 146 V N 0.597 120.516 119.914 0.008 0.000 2.481 146 V HA 0.694 4.814 4.120 0.001 0.000 0.286 146 V C -0.408 175.662 176.094 -0.040 0.000 1.042 146 V CA -0.429 61.832 62.300 -0.065 0.000 0.928 146 V CB 1.230 32.999 31.823 -0.090 0.000 0.986 146 V HN 0.500 8.690 8.190 -0.000 0.000 0.462 147 K N 3.773 124.102 120.400 -0.118 0.000 2.427 147 K HA 0.486 4.807 4.320 0.001 0.000 0.252 147 K C -1.864 174.667 176.600 -0.115 0.000 0.931 147 K CA -0.254 56.007 56.287 -0.044 0.000 0.793 147 K CB 2.605 35.091 32.500 -0.023 0.000 1.211 147 K HN 0.810 9.060 8.250 -0.000 0.000 0.426 148 W N 3.790 125.087 121.300 -0.005 0.000 2.361 148 W HA 0.283 4.943 4.660 0.001 0.000 0.314 148 W C -0.249 176.253 176.519 -0.030 0.000 1.041 148 W CA -0.547 56.795 57.345 -0.004 0.000 1.241 148 W CB 1.388 30.855 29.460 0.011 0.000 1.279 148 W HN 0.370 8.550 8.180 -0.000 0.000 0.436 149 K N 3.843 124.356 120.400 0.189 0.000 2.463 149 K HA 0.541 4.862 4.320 0.001 0.000 0.255 149 K C -0.797 175.791 176.600 -0.019 0.000 0.942 149 K CA -0.793 55.528 56.287 0.058 0.000 0.814 149 K CB 1.575 34.074 32.500 -0.001 0.000 1.122 149 K HN 0.204 8.454 8.250 -0.000 0.000 0.425 150 I N 3.468 123.959 120.570 -0.132 0.000 2.312 150 I HA 0.087 4.258 4.170 0.001 0.000 0.291 150 I C 0.267 176.193 176.117 -0.318 0.000 1.031 150 I CA 0.271 61.354 61.300 -0.361 0.000 1.293 150 I CB 0.082 37.755 38.000 -0.544 0.000 1.403 150 I HN 0.913 9.123 8.210 -0.000 0.000 0.484 151 D N 5.115 125.327 120.400 -0.314 0.000 2.880 151 D HA -0.221 4.420 4.640 0.001 0.000 0.198 151 D C 1.195 177.425 176.300 -0.117 0.000 1.059 151 D CA 1.769 55.657 54.000 -0.187 0.000 1.019 151 D CB -0.757 39.965 40.800 -0.131 0.000 1.112 151 D HN 1.065 9.435 8.370 -0.000 0.000 0.424 152 G N -1.576 107.158 108.800 -0.110 0.000 2.421 152 G HA2 -0.207 3.753 3.960 0.001 0.000 0.188 152 G HA3 -0.207 3.753 3.960 0.001 0.000 0.188 152 G C 0.708 175.571 174.900 -0.062 0.000 1.001 152 G CA 0.661 45.719 45.100 -0.071 0.000 0.693 152 G HN 0.452 8.742 8.290 -0.000 0.000 0.479 153 S N -0.149 115.504 115.700 -0.079 0.000 2.229 153 S HA 0.571 5.041 4.470 0.001 0.000 0.221 153 S C 0.263 174.836 174.600 -0.045 0.000 1.316 153 S CA 0.588 58.749 58.200 -0.064 0.000 1.002 153 S CB 0.693 63.842 63.200 -0.085 0.000 0.854 153 S HN 0.593 8.903 8.310 -0.000 0.000 0.451 154 E N -0.073 120.105 120.200 -0.038 0.000 2.335 154 E HA 0.534 4.885 4.350 0.001 0.000 0.280 154 E C -1.278 175.321 176.600 -0.001 0.000 0.918 154 E CA -0.589 55.809 56.400 -0.004 0.000 0.765 154 E CB 1.519 31.223 29.700 0.006 0.000 1.218 154 E HN 0.318 8.678 8.360 -0.000 0.000 0.425 155 R N 1.642 122.166 120.500 0.039 0.000 2.888 155 R HA 0.387 4.727 4.340 0.001 0.000 0.266 155 R C -0.297 176.045 176.300 0.071 0.000 1.020 155 R CA 0.138 56.257 56.100 0.032 0.000 0.963 155 R CB 1.096 31.404 30.300 0.013 0.000 1.197 155 R HN 0.720 8.990 8.270 -0.000 0.000 0.481 156 Q N -0.158 119.663 119.800 0.034 0.000 1.574 156 Q HA 0.116 4.457 4.340 0.001 0.000 0.167 156 Q C 0.035 176.040 176.000 0.008 0.000 0.649 156 Q CA 0.131 55.962 55.803 0.046 0.000 0.704 156 Q CB -0.046 28.725 28.738 0.054 0.000 1.181 156 Q HN 0.574 8.844 8.270 -0.000 0.000 0.373 157 N N 1.666 120.361 118.700 -0.009 0.000 2.205 157 N HA -0.084 4.657 4.740 0.001 0.000 0.186 157 N C 1.605 177.094 175.510 -0.036 0.000 1.015 157 N CA 1.773 54.814 53.050 -0.015 0.000 0.862 157 N CB -0.108 38.371 38.487 -0.013 0.000 0.986 157 N HN 0.448 8.828 8.380 -0.000 0.000 0.429 158 G N -0.264 108.491 108.800 -0.076 0.000 3.020 158 G HA2 0.155 4.115 3.960 0.001 0.000 0.217 158 G HA3 0.155 4.115 3.960 0.001 0.000 0.217 158 G C 0.015 174.827 174.900 -0.146 0.000 1.144 158 G CA -0.235 44.798 45.100 -0.111 0.000 0.760 158 G HN 0.013 8.303 8.290 -0.000 0.000 0.548 159 V N 1.686 121.522 119.914 -0.130 0.000 2.488 159 V HA 0.410 4.530 4.120 0.001 0.000 0.277 159 V C -0.418 175.660 176.094 -0.026 0.000 1.046 159 V CA -0.364 61.867 62.300 -0.114 0.000 0.986 159 V CB 1.376 33.196 31.823 -0.006 0.000 0.989 159 V HN 0.026 8.216 8.190 -0.000 0.000 0.475 160 L N 5.636 126.841 121.223 -0.030 0.000 2.381 160 L HA 0.508 4.849 4.340 0.001 0.000 0.274 160 L C -0.050 176.804 176.870 -0.027 0.000 0.988 160 L CA 0.065 54.899 54.840 -0.009 0.000 0.824 160 L CB 1.673 43.720 42.059 -0.020 0.000 1.263 160 L HN 0.655 8.885 8.230 -0.000 0.000 0.410 161 N N 1.009 119.675 118.700 -0.057 0.000 2.483 161 N HA 0.809 5.549 4.740 0.001 0.000 0.285 161 N C -1.052 174.243 175.510 -0.358 0.000 1.210 161 N CA -0.717 52.173 53.050 -0.268 0.000 0.931 161 N CB 1.875 40.137 38.487 -0.375 0.000 1.220 161 N HN 0.446 8.826 8.380 -0.000 0.000 0.542 162 S N -0.215 115.075 115.700 -0.684 0.000 2.542 162 S HA 0.414 4.885 4.470 0.001 0.000 0.276 162 S C -2.106 172.208 174.600 -0.478 0.000 1.148 162 S CA -0.655 57.348 58.200 -0.328 0.000 0.886 162 S CB 0.690 63.837 63.200 -0.087 0.000 1.109 162 S HN 0.495 8.805 8.310 -0.000 0.000 0.458 163 W N 2.122 123.488 121.300 0.110 0.000 2.882 163 W HA 0.471 5.131 4.660 0.001 0.000 0.345 163 W C 0.149 176.729 176.519 0.102 0.000 1.125 163 W CA -0.673 56.744 57.345 0.120 0.000 1.167 163 W CB 1.660 31.178 29.460 0.097 0.000 1.431 163 W HN 0.780 8.960 8.180 -0.000 0.000 0.543 164 T N -1.253 113.508 114.554 0.345 0.000 2.928 164 T HA 0.267 4.617 4.350 0.001 0.000 0.284 164 T C -0.017 174.847 174.700 0.274 0.000 1.008 164 T CA -0.571 61.665 62.100 0.227 0.000 1.057 164 T CB 1.973 70.920 68.868 0.131 0.000 1.018 164 T HN 0.182 8.422 8.240 -0.000 0.000 0.493 165 D N 0.783 121.301 120.400 0.196 0.000 2.369 165 D HA 0.065 4.706 4.640 0.001 0.000 0.241 165 D C 0.413 176.818 176.300 0.176 0.000 1.271 165 D CA -0.083 54.043 54.000 0.211 0.000 0.942 165 D CB 0.506 41.385 40.800 0.132 0.000 1.129 165 D HN 0.719 9.089 8.370 -0.000 0.000 0.476 166 Q N 1.036 120.918 119.800 0.137 0.000 2.263 166 Q HA -0.067 4.273 4.340 0.001 0.000 0.289 166 Q C -0.180 175.744 176.000 -0.127 0.000 1.061 166 Q CA -0.032 55.650 55.803 -0.202 0.000 0.927 166 Q CB 0.523 29.160 28.738 -0.168 0.000 1.154 166 Q HN 0.273 8.543 8.270 -0.000 0.000 0.378 167 D N 2.571 122.861 120.400 -0.185 0.000 2.458 167 D HA -0.056 4.584 4.640 0.001 0.000 0.243 167 D C -0.921 175.325 176.300 -0.091 0.000 1.146 167 D CA 0.346 54.281 54.000 -0.108 0.000 0.877 167 D CB 0.792 41.521 40.800 -0.119 0.000 1.176 167 D HN 0.417 8.787 8.370 -0.000 0.000 0.461 168 S N 3.748 119.417 115.700 -0.052 0.000 3.363 168 S HA 0.149 4.620 4.470 0.001 0.000 0.267 168 S C 0.393 174.970 174.600 -0.040 0.000 1.288 168 S CA -0.493 57.684 58.200 -0.039 0.000 0.948 168 S CB -0.267 62.922 63.200 -0.018 0.000 1.397 168 S HN 0.615 8.925 8.310 -0.000 0.000 0.493 169 K N 1.397 121.766 120.400 -0.052 0.000 1.944 169 K HA -0.032 4.288 4.320 0.001 0.000 0.074 169 K C -0.635 175.933 176.600 -0.053 0.000 1.330 169 K CA 0.351 56.611 56.287 -0.046 0.000 0.424 169 K CB -1.147 31.333 32.500 -0.033 0.000 3.421 169 K HN 0.430 8.680 8.250 -0.000 0.000 0.679 170 D N -0.451 119.906 120.400 -0.072 0.000 2.301 170 D HA -0.036 4.605 4.640 0.001 0.000 0.532 170 D C -0.095 176.140 176.300 -0.109 0.000 0.978 170 D CA 0.649 54.604 54.000 -0.075 0.000 1.078 170 D CB 0.033 40.798 40.800 -0.059 0.000 1.478 170 D HN 0.119 8.489 8.370 -0.000 0.000 0.425 171 S N -0.047 115.571 115.700 -0.136 0.000 3.586 171 S HA -0.131 4.340 4.470 0.001 0.000 0.309 171 S C 0.384 174.848 174.600 -0.228 0.000 1.195 171 S CA 1.181 59.269 58.200 -0.187 0.000 0.895 171 S CB -2.313 60.770 63.200 -0.195 0.000 0.983 171 S HN 0.957 9.267 8.310 -0.000 0.000 0.563 172 T N -1.112 113.302 114.554 -0.234 0.000 2.936 172 T HA 0.763 5.114 4.350 0.001 0.000 0.282 172 T C -0.310 174.069 174.700 -0.534 0.000 1.003 172 T CA -0.657 61.280 62.100 -0.272 0.000 1.005 172 T CB 1.010 69.797 68.868 -0.135 0.000 1.097 172 T HN 0.132 8.372 8.240 -0.000 0.000 0.532 173 Y N -0.208 119.878 120.300 -0.356 0.000 2.457 173 Y HA 0.665 5.216 4.550 0.001 0.000 0.333 173 Y C 0.692 176.083 175.900 -0.847 0.000 1.119 173 Y CA -0.793 56.975 58.100 -0.553 0.000 1.143 173 Y CB 2.118 40.212 38.460 -0.609 0.000 1.230 173 Y HN 0.795 9.075 8.280 -0.000 0.000 0.469 174 S N 2.436 118.022 115.700 -0.190 0.000 2.627 174 S HA 0.750 5.221 4.470 0.001 0.000 0.283 174 S C -1.296 173.470 174.600 0.277 0.000 1.127 174 S CA -0.973 57.264 58.200 0.062 0.000 0.863 174 S CB 2.189 65.419 63.200 0.051 0.000 1.121 174 S HN 0.658 8.968 8.310 -0.000 0.000 0.479 175 M N 2.153 121.955 119.600 0.337 0.000 2.421 175 M HA 0.577 5.058 4.480 0.001 0.000 0.287 175 M C -1.559 174.796 176.300 0.092 0.000 1.183 175 M CA -0.345 55.005 55.300 0.082 0.000 0.916 175 M CB 2.008 34.636 32.600 0.045 0.000 1.701 175 M HN 0.706 8.996 8.290 -0.000 0.000 0.470 176 S N 2.533 118.221 115.700 -0.019 0.000 2.478 176 S HA 0.694 5.165 4.470 0.001 0.000 0.312 176 S C -1.013 173.546 174.600 -0.068 0.000 1.094 176 S CA -0.564 57.681 58.200 0.074 0.000 1.081 176 S CB 1.839 65.163 63.200 0.208 0.000 1.007 176 S HN 0.701 9.011 8.310 -0.000 0.000 0.475 177 S N 2.224 117.929 115.700 0.008 0.000 2.478 177 S HA 0.671 5.142 4.470 0.001 0.000 0.312 177 S C -0.896 173.824 174.600 0.201 0.000 1.094 177 S CA -0.435 57.842 58.200 0.130 0.000 1.081 177 S CB 0.979 64.347 63.200 0.280 0.000 1.007 177 S HN 0.816 9.126 8.310 -0.000 0.000 0.475 178 T N 5.269 119.869 114.554 0.077 0.000 2.934 178 T HA 0.283 4.634 4.350 0.001 0.000 0.328 178 T C -0.665 173.907 174.700 -0.212 0.000 1.068 178 T CA -0.408 61.665 62.100 -0.045 0.000 1.018 178 T CB 0.580 69.405 68.868 -0.072 0.000 1.009 178 T HN 0.518 8.758 8.240 -0.000 0.000 0.471 179 L N 4.554 125.466 121.223 -0.518 0.000 2.369 179 L HA 0.430 4.771 4.340 0.001 0.000 0.279 179 L C -0.141 176.490 176.870 -0.398 0.000 1.108 179 L CA 0.679 55.093 54.840 -0.711 0.000 0.852 179 L CB 0.124 41.323 42.059 -1.433 0.000 1.169 179 L HN 0.484 8.714 8.230 -0.000 0.000 0.452 180 T N 6.603 121.003 114.554 -0.258 0.000 2.791 180 T HA 0.604 4.954 4.350 0.001 0.000 0.288 180 T C -0.475 174.156 174.700 -0.116 0.000 0.999 180 T CA -0.422 61.576 62.100 -0.170 0.000 0.952 180 T CB 0.902 69.697 68.868 -0.122 0.000 0.938 180 T HN 0.260 8.500 8.240 -0.000 0.000 0.444 181 L N 2.896 124.066 121.223 -0.087 0.000 2.313 181 L HA 0.627 4.967 4.340 0.001 0.000 0.268 181 L C 1.082 177.956 176.870 0.007 0.000 1.010 181 L CA -0.770 54.066 54.840 -0.007 0.000 0.814 181 L CB 1.345 43.452 42.059 0.080 0.000 1.304 181 L HN 0.750 8.980 8.230 -0.000 0.000 0.441 182 T N -2.247 112.332 114.554 0.042 0.000 2.918 182 T HA 0.151 4.502 4.350 0.001 0.000 0.302 182 T C 1.167 175.922 174.700 0.091 0.000 1.045 182 T CA -0.546 61.581 62.100 0.046 0.000 1.114 182 T CB 0.813 69.706 68.868 0.041 0.000 0.965 182 T HN 0.428 8.668 8.240 -0.000 0.000 0.540 183 K N 1.299 121.744 120.400 0.075 0.000 2.034 183 K HA -0.197 4.123 4.320 0.001 0.000 0.214 183 K C 1.608 178.284 176.600 0.128 0.000 1.051 183 K CA 2.040 58.397 56.287 0.117 0.000 0.931 183 K CB -0.719 31.823 32.500 0.070 0.000 0.715 183 K HN 0.738 8.988 8.250 -0.000 0.000 0.446 184 D N 0.718 121.165 120.400 0.078 0.000 2.177 184 D HA -0.204 4.436 4.640 0.001 0.000 0.189 184 D C 1.930 178.272 176.300 0.070 0.000 1.002 184 D CA 1.155 55.188 54.000 0.055 0.000 0.845 184 D CB -0.260 40.562 40.800 0.037 0.000 0.960 184 D HN 0.278 8.648 8.370 -0.000 0.000 0.447 185 E N -0.314 119.946 120.200 0.101 0.000 2.049 185 E HA -0.209 4.142 4.350 0.001 0.000 0.198 185 E C 2.193 178.935 176.600 0.237 0.000 1.007 185 E CA 0.832 57.320 56.400 0.148 0.000 0.809 185 E CB -0.507 29.287 29.700 0.156 0.000 0.749 185 E HN 0.383 8.743 8.360 -0.000 0.000 0.450 186 Y N 2.352 122.736 120.300 0.141 0.000 2.102 186 Y HA -0.251 4.300 4.550 0.001 0.000 0.280 186 Y C 2.020 178.039 175.900 0.198 0.000 1.178 186 Y CA 1.898 60.117 58.100 0.198 0.000 1.146 186 Y CB -0.247 38.255 38.460 0.070 0.000 0.968 186 Y HN 0.022 8.302 8.280 -0.000 0.000 0.504 187 E N 0.814 121.002 120.200 -0.020 0.000 2.209 187 E HA -0.165 4.185 4.350 0.001 0.000 0.196 187 E C 1.145 177.643 176.600 -0.170 0.000 0.993 187 E CA 0.804 57.115 56.400 -0.148 0.000 0.819 187 E CB -0.332 29.340 29.700 -0.047 0.000 0.745 187 E HN 0.419 8.779 8.360 -0.000 0.000 0.477 188 R N -0.337 120.046 120.500 -0.195 0.000 2.840 188 R HA 0.127 4.467 4.340 0.001 0.000 0.282 188 R C -0.267 175.864 176.300 -0.281 0.000 1.133 188 R CA 0.103 55.956 56.100 -0.410 0.000 1.208 188 R CB -0.096 29.666 30.300 -0.896 0.000 1.160 188 R HN 0.228 8.498 8.270 -0.000 0.000 0.576 189 H N -1.637 117.385 119.070 -0.081 0.000 3.784 189 H HA -0.151 4.405 4.556 0.001 0.000 0.307 189 H C -0.235 175.023 175.328 -0.116 0.000 0.816 189 H CA 0.641 56.605 56.048 -0.140 0.000 0.907 189 H CB -0.721 28.903 29.762 -0.229 0.000 1.406 189 H HN 0.869 9.149 8.280 -0.000 0.000 0.331 190 N N 1.306 120.004 118.700 -0.003 0.000 2.235 190 N HA 0.068 4.809 4.740 0.001 0.000 0.209 190 N C -0.279 175.223 175.510 -0.012 0.000 1.122 190 N CA 0.275 53.337 53.050 0.021 0.000 0.845 190 N CB 0.857 39.352 38.487 0.013 0.000 1.004 190 N HN 0.370 8.750 8.380 -0.000 0.000 0.499 191 S N 0.161 115.773 115.700 -0.146 0.000 2.659 191 S HA 0.387 4.858 4.470 0.001 0.000 0.312 191 S C -1.717 172.635 174.600 -0.414 0.000 1.114 191 S CA -0.603 57.471 58.200 -0.210 0.000 1.063 191 S CB 0.420 63.530 63.200 -0.150 0.000 0.996 191 S HN 0.252 8.562 8.310 -0.000 0.000 0.478 192 Y N 1.918 121.991 120.300 -0.378 0.000 2.425 192 Y HA 0.691 5.242 4.550 0.001 0.000 0.344 192 Y C 0.454 176.252 175.900 -0.171 0.000 0.969 192 Y CA -0.617 57.336 58.100 -0.244 0.000 1.052 192 Y CB 2.580 40.839 38.460 -0.335 0.000 1.215 192 Y HN 0.653 8.933 8.280 -0.000 0.000 0.451 193 T N 2.498 117.138 114.554 0.144 0.000 3.237 193 T HA 0.444 4.794 4.350 0.001 0.000 0.319 193 T C -1.394 173.185 174.700 -0.201 0.000 1.037 193 T CA -0.612 61.481 62.100 -0.012 0.000 1.048 193 T CB -0.127 68.707 68.868 -0.056 0.000 1.081 193 T HN 0.898 9.138 8.240 -0.000 0.000 0.455 194 c N 5.143 123.432 118.600 -0.518 0.000 2.329 194 c HA 0.955 5.526 4.570 0.001 0.000 0.329 194 c C -0.162 173.653 174.090 -0.458 0.000 1.275 194 c CA -0.581 55.196 56.329 -0.920 0.000 1.726 194 c CB -0.158 41.468 42.510 -1.474 0.000 2.291 194 c HN 1.028 9.258 8.230 -0.000 0.000 0.514 195 E N 3.233 123.212 120.200 -0.368 0.000 2.288 195 E HA 0.751 5.102 4.350 0.001 0.000 0.268 195 E C -1.117 175.370 176.600 -0.189 0.000 0.885 195 E CA -0.777 55.492 56.400 -0.218 0.000 0.767 195 E CB 2.068 31.683 29.700 -0.142 0.000 1.220 195 E HN 1.039 9.399 8.360 -0.000 0.000 0.427 196 A N 1.960 124.695 122.820 -0.142 0.000 2.331 196 A HA 0.571 4.892 4.320 0.001 0.000 0.320 196 A C -0.634 176.909 177.584 -0.067 0.000 1.138 196 A CA -0.755 51.209 52.037 -0.123 0.000 0.790 196 A CB 1.410 20.314 19.000 -0.160 0.000 1.206 196 A HN 0.590 8.740 8.150 -0.000 0.000 0.470 197 T N 1.677 116.207 114.554 -0.040 0.000 2.756 197 T HA 0.567 4.918 4.350 0.001 0.000 0.290 197 T C -0.718 174.010 174.700 0.048 0.000 0.985 197 T CA -0.101 61.999 62.100 -0.001 0.000 0.955 197 T CB 0.559 69.422 68.868 -0.008 0.000 0.930 197 T HN 0.729 8.969 8.240 -0.000 0.000 0.451 198 H N 1.445 120.475 119.070 -0.067 0.000 2.806 198 H HA 0.388 4.945 4.556 0.001 0.000 0.367 198 H C 0.951 176.266 175.328 -0.021 0.000 1.136 198 H CA -0.984 55.026 56.048 -0.062 0.000 1.178 198 H CB 1.773 31.482 29.762 -0.087 0.000 1.718 198 H HN 0.379 8.659 8.280 -0.000 0.000 0.540 199 K N 2.062 122.165 120.400 -0.495 0.000 2.228 199 K HA -0.186 4.135 4.320 0.001 0.000 0.205 199 K C 1.339 177.826 176.600 -0.188 0.000 1.045 199 K CA 2.015 58.102 56.287 -0.333 0.000 0.931 199 K CB -0.262 32.019 32.500 -0.366 0.000 0.727 199 K HN 0.690 8.940 8.250 -0.000 0.000 0.458 200 T N -0.424 114.050 114.554 -0.134 0.000 2.881 200 T HA -0.064 4.287 4.350 0.001 0.000 0.270 200 T C 0.570 175.309 174.700 0.066 0.000 1.068 200 T CA 1.226 63.380 62.100 0.090 0.000 1.131 200 T CB -0.060 69.008 68.868 0.333 0.000 0.871 200 T HN 0.361 8.601 8.240 -0.000 0.000 0.479 201 S N -1.557 114.172 115.700 0.047 0.000 2.578 201 S HA 0.334 4.804 4.470 0.001 0.000 0.272 201 S C -0.341 174.271 174.600 0.019 0.000 1.145 201 S CA -0.551 57.670 58.200 0.034 0.000 0.835 201 S CB 1.205 64.433 63.200 0.046 0.000 1.104 201 S HN 0.121 8.431 8.310 -0.000 0.000 0.458 202 T N 1.851 116.411 114.554 0.010 0.000 3.327 202 T HA 0.257 4.607 4.350 0.001 0.000 0.241 202 T C 0.315 175.018 174.700 0.005 0.000 0.907 202 T CA 0.093 62.195 62.100 0.004 0.000 0.931 202 T CB -0.343 68.525 68.868 -0.000 0.000 1.112 202 T HN 0.531 8.771 8.240 -0.000 0.000 0.589 203 S N 2.696 118.402 115.700 0.010 0.000 2.457 203 S HA 0.383 4.854 4.470 0.001 0.000 0.216 203 S C -2.809 171.792 174.600 0.000 0.000 1.392 203 S CA -1.628 56.575 58.200 0.005 0.000 1.102 203 S CB -0.091 63.115 63.200 0.010 0.000 1.114 203 S HN 0.044 8.354 8.310 -0.000 0.000 0.484 204 P HA 0.098 4.518 4.420 -0.000 0.000 0.257 204 P C -0.279 177.001 177.300 -0.033 0.000 1.189 204 P CA 0.132 63.220 63.100 -0.021 0.000 0.780 204 P CB -0.026 31.658 31.700 -0.028 0.000 0.772 205 I N 3.854 124.401 120.570 -0.039 0.000 2.618 205 I HA 0.055 4.225 4.170 0.001 0.000 0.284 205 I C 0.762 176.835 176.117 -0.074 0.000 1.146 205 I CA -0.002 61.268 61.300 -0.049 0.000 1.425 205 I CB 0.371 38.341 38.000 -0.051 0.000 1.383 205 I HN 0.145 8.355 8.210 -0.000 0.000 0.562 206 V N 3.554 123.428 119.914 -0.067 0.000 2.588 206 V HA 0.697 4.818 4.120 0.001 0.000 0.304 206 V C -0.660 175.389 176.094 -0.074 0.000 1.042 206 V CA -0.826 61.424 62.300 -0.082 0.000 0.877 206 V CB 1.892 33.676 31.823 -0.065 0.000 0.996 206 V HN 0.627 8.817 8.190 -0.000 0.000 0.425 207 K N 2.413 122.756 120.400 -0.095 0.000 2.507 207 K HA 0.836 5.156 4.320 0.001 0.000 0.251 207 K C -0.874 175.702 176.600 -0.040 0.000 0.943 207 K CA -0.049 56.200 56.287 -0.064 0.000 0.794 207 K CB 2.411 34.862 32.500 -0.081 0.000 1.188 207 K HN 1.046 9.296 8.250 -0.000 0.000 0.428 208 S N 2.110 117.819 115.700 0.015 0.000 2.595 208 S HA 0.751 5.221 4.470 0.001 0.000 0.281 208 S C -1.384 173.303 174.600 0.146 0.000 1.117 208 S CA -0.904 57.321 58.200 0.041 0.000 0.873 208 S CB 0.834 64.022 63.200 -0.021 0.000 1.108 208 S HN 0.475 8.785 8.310 -0.000 0.000 0.477 209 F N -0.336 119.668 119.950 0.090 0.000 2.640 209 F HA 0.633 5.161 4.527 0.001 0.000 0.324 209 F C 0.758 176.627 175.800 0.115 0.000 1.077 209 F CA -1.151 56.897 58.000 0.081 0.000 0.965 209 F CB 0.438 39.479 39.000 0.067 0.000 1.351 209 F HN 0.491 8.791 8.300 -0.000 0.000 0.487 210 N N 0.502 119.408 118.700 0.343 0.000 2.009 210 N HA -0.041 4.700 4.740 0.001 0.000 0.195 210 N C 0.167 175.828 175.510 0.253 0.000 1.076 210 N CA 1.683 54.865 53.050 0.219 0.000 0.863 210 N CB -0.214 38.387 38.487 0.191 0.000 1.062 210 N HN 0.656 9.036 8.380 -0.000 0.000 0.425 211 R N 0.000 120.751 120.500 0.418 0.000 2.786 211 R HA 0.000 4.341 4.340 0.001 0.000 0.208 211 R CA 0.000 56.323 56.100 0.372 0.000 0.921 211 R CB 0.000 30.438 30.300 0.230 0.000 0.687 211 R HN 0.000 8.270 8.270 -0.000 0.000 0.535