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 1e26_1_A DATA FIRST_RESID 2 DATA SEQUENCE NQQKSLTLIV ALTTSYGIGR SNSLPWKLKK EISYFKRVTS FVPTFDSFES DATA SEQUENCE MNVVLMGRKT WESIPLQFRP LKGRINVVIT RNESLDLGNG IHSAKSLDHA DATA SEQUENCE LELLYRTYGS ESSVQINRIF VIGGAQLYKA AMDHPKLDRI MATIIYKDIH DATA SEQUENCE CDVFFPLKFR DKEWSSVWKK EKHSDLESWV GTKVPHGKIN EDGFDYEFEM DATA SEQUENCE WTRDL 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 2 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 2 N C 0.000 175.601 175.510 0.151 0.000 1.280 2 N CA 0.000 53.098 53.050 0.080 0.000 0.885 2 N CB 0.000 38.532 38.487 0.074 0.000 1.341 3 Q N 0.749 120.552 119.800 0.005 0.000 2.309 3 Q HA 0.393 4.701 4.340 -0.054 0.000 0.273 3 Q C -0.688 175.233 176.000 -0.131 0.000 1.040 3 Q CA -0.470 55.348 55.803 0.026 0.000 0.834 3 Q CB 1.876 30.753 28.738 0.232 0.000 1.345 3 Q HN 0.292 8.562 8.270 -0.000 0.000 0.414 4 Q N 1.719 121.407 119.800 -0.188 0.000 2.620 4 Q HA 0.305 4.612 4.340 -0.054 0.000 0.232 4 Q C -0.349 175.658 176.000 0.013 0.000 0.836 4 Q CA -0.007 55.719 55.803 -0.128 0.000 0.938 4 Q CB 0.869 29.469 28.738 -0.230 0.000 1.242 4 Q HN 0.605 8.875 8.270 -0.000 0.000 0.624 5 K N 1.275 121.740 120.400 0.108 0.000 2.154 5 K HA 0.298 4.586 4.320 -0.054 0.000 0.264 5 K C -0.503 176.150 176.600 0.088 0.000 1.008 5 K CA -0.260 56.091 56.287 0.105 0.000 0.937 5 K CB 1.520 34.097 32.500 0.128 0.000 1.002 5 K HN 0.073 8.323 8.250 -0.000 0.000 0.469 6 S N 1.537 117.273 115.700 0.061 0.000 2.593 6 S HA 0.219 4.657 4.470 -0.054 0.000 0.269 6 S C 0.197 174.804 174.600 0.011 0.000 1.334 6 S CA -0.570 57.661 58.200 0.051 0.000 1.015 6 S CB 0.386 63.619 63.200 0.056 0.000 0.912 6 S HN 0.304 8.614 8.310 -0.000 0.000 0.541 7 L N 1.708 122.932 121.223 0.001 0.000 2.334 7 L HA 0.526 4.834 4.340 -0.054 0.000 0.275 7 L C -0.018 176.835 176.870 -0.029 0.000 1.036 7 L CA -0.498 54.315 54.840 -0.045 0.000 0.807 7 L CB 1.697 43.716 42.059 -0.066 0.000 1.231 7 L HN 0.530 8.760 8.230 -0.000 0.000 0.438 8 T N 2.991 117.498 114.554 -0.078 0.000 2.848 8 T HA 0.468 4.785 4.350 -0.054 0.000 0.285 8 T C -0.711 174.049 174.700 0.100 0.000 0.995 8 T CA -0.409 61.669 62.100 -0.037 0.000 0.970 8 T CB 1.965 70.750 68.868 -0.138 0.000 0.976 8 T HN 0.347 8.587 8.240 -0.000 0.000 0.441 9 L N 4.365 125.659 121.223 0.119 0.000 2.295 9 L HA 0.749 5.057 4.340 -0.054 0.000 0.285 9 L C -0.965 176.019 176.870 0.190 0.000 1.035 9 L CA -0.882 54.071 54.840 0.188 0.000 0.806 9 L CB 0.807 42.925 42.059 0.098 0.000 1.214 9 L HN 0.693 8.923 8.230 -0.000 0.000 0.426 10 I N 5.928 126.684 120.570 0.310 0.000 2.406 10 I HA 0.644 4.782 4.170 -0.054 0.000 0.290 10 I C -1.529 174.764 176.117 0.294 0.000 0.999 10 I CA -0.471 60.987 61.300 0.263 0.000 1.124 10 I CB 1.794 39.942 38.000 0.246 0.000 1.289 10 I HN 0.493 8.703 8.210 -0.000 0.000 0.441 11 V N 6.604 126.613 119.914 0.157 0.000 3.120 11 V HA 0.874 4.961 4.120 -0.054 0.000 0.303 11 V C -1.289 174.855 176.094 0.083 0.000 1.238 11 V CA -0.251 62.123 62.300 0.124 0.000 1.008 11 V CB 2.203 33.911 31.823 -0.191 0.000 1.064 11 V HN 0.851 9.041 8.190 -0.000 0.000 0.434 12 A N 6.585 129.473 122.820 0.114 0.000 2.304 12 A HA 0.895 5.183 4.320 -0.054 0.000 0.314 12 A C -1.154 176.438 177.584 0.013 0.000 1.187 12 A CA -0.505 51.549 52.037 0.028 0.000 0.810 12 A CB 1.075 20.125 19.000 0.084 0.000 1.183 12 A HN 1.512 9.662 8.150 -0.000 0.000 0.487 13 L N 0.650 121.762 121.223 -0.184 0.000 2.465 13 L HA 0.844 5.152 4.340 -0.054 0.000 0.257 13 L C -0.064 176.595 176.870 -0.350 0.000 0.988 13 L CA -0.401 54.334 54.840 -0.175 0.000 0.827 13 L CB 0.600 42.564 42.059 -0.158 0.000 1.397 13 L HN 0.734 8.964 8.230 -0.000 0.000 0.410 14 T N -2.522 111.878 114.554 -0.256 0.000 2.816 14 T HA 0.297 4.615 4.350 -0.054 0.000 0.282 14 T C 1.343 175.852 174.700 -0.318 0.000 0.993 14 T CA 0.444 62.380 62.100 -0.273 0.000 0.994 14 T CB 0.571 69.386 68.868 -0.088 0.000 1.025 14 T HN 0.899 9.139 8.240 -0.000 0.000 0.529 15 T N -1.406 112.977 114.554 -0.286 0.000 3.077 15 T HA -0.041 4.277 4.350 -0.054 0.000 0.269 15 T C 1.503 176.052 174.700 -0.252 0.000 1.146 15 T CA 0.797 62.711 62.100 -0.310 0.000 1.091 15 T CB -0.581 68.210 68.868 -0.128 0.000 0.892 15 T HN 0.518 8.758 8.240 -0.000 0.000 0.533 16 S N 0.305 115.957 115.700 -0.079 0.000 2.557 16 S HA 0.299 4.737 4.470 -0.054 0.000 0.223 16 S C -0.208 174.606 174.600 0.355 0.000 0.969 16 S CA -0.713 57.578 58.200 0.150 0.000 0.927 16 S CB -0.569 62.774 63.200 0.237 0.000 0.806 16 S HN 0.580 8.890 8.310 -0.000 0.000 0.489 17 Y N -0.358 120.010 120.300 0.115 0.000 4.668 17 Y HA -0.230 4.288 4.550 -0.053 0.000 0.234 17 Y C 1.045 177.092 175.900 0.244 0.000 1.056 17 Y CA 0.337 58.537 58.100 0.167 0.000 2.025 17 Y CB -2.054 36.543 38.460 0.229 0.000 1.613 17 Y HN 0.373 8.653 8.280 -0.000 0.000 0.653 18 G N 1.012 109.927 108.800 0.191 0.000 2.403 18 G HA2 0.478 4.405 3.960 -0.054 0.000 0.259 18 G HA3 0.478 4.405 3.960 -0.054 0.000 0.259 18 G C 0.937 175.881 174.900 0.073 0.000 1.244 18 G CA 0.018 45.029 45.100 -0.149 0.000 0.849 18 G HN 0.672 8.962 8.290 -0.000 0.000 0.532 19 I N -0.149 120.427 120.570 0.010 0.000 4.439 19 I HA 0.556 4.693 4.170 -0.054 0.000 0.331 19 I C 0.613 176.687 176.117 -0.072 0.000 1.345 19 I CA -0.223 61.179 61.300 0.170 0.000 1.193 19 I CB 0.793 38.949 38.000 0.259 0.000 1.221 19 I HN 0.614 8.824 8.210 -0.000 0.000 0.429 20 G N 1.363 110.019 108.800 -0.239 0.000 2.523 20 G HA2 0.664 4.592 3.960 -0.054 0.000 0.291 20 G HA3 0.664 4.592 3.960 -0.054 0.000 0.291 20 G C -2.012 172.690 174.900 -0.331 0.000 1.450 20 G CA -0.884 44.010 45.100 -0.344 0.000 0.790 20 G HN 0.256 8.546 8.290 -0.000 0.000 0.496 21 R N -0.705 119.617 120.500 -0.297 0.000 2.536 21 R HA 0.571 4.879 4.340 -0.054 0.000 0.269 21 R C 0.110 176.316 176.300 -0.155 0.000 1.113 21 R CA 0.419 56.385 56.100 -0.224 0.000 0.948 21 R CB 0.863 31.031 30.300 -0.220 0.000 1.237 21 R HN 1.264 9.534 8.270 -0.000 0.000 0.441 22 S N 3.267 118.909 115.700 -0.098 0.000 3.587 22 S HA -0.239 4.198 4.470 -0.054 0.000 0.337 22 S C 0.347 174.897 174.600 -0.084 0.000 1.119 22 S CA 1.479 59.639 58.200 -0.068 0.000 0.976 22 S CB -1.656 61.512 63.200 -0.053 0.000 0.922 22 S HN 1.105 9.415 8.310 -0.000 0.000 0.503 23 N N -1.170 117.472 118.700 -0.096 0.000 2.800 23 N HA -0.219 4.489 4.740 -0.054 0.000 0.250 23 N C -0.157 175.273 175.510 -0.133 0.000 1.078 23 N CA 1.623 54.615 53.050 -0.097 0.000 0.804 23 N CB -1.318 37.130 38.487 -0.066 0.000 1.135 23 N HN 0.686 9.066 8.380 -0.000 0.000 0.565 24 S N -1.054 114.538 115.700 -0.180 0.000 2.921 24 S HA 0.745 5.183 4.470 -0.054 0.000 0.315 24 S C -0.546 173.835 174.600 -0.366 0.000 1.087 24 S CA -0.810 57.251 58.200 -0.231 0.000 0.877 24 S CB 1.208 64.288 63.200 -0.201 0.000 1.340 24 S HN 0.167 8.477 8.310 -0.000 0.000 0.622 25 L N 1.997 122.939 121.223 -0.470 0.000 2.353 25 L HA 0.397 4.705 4.340 -0.054 0.000 0.270 25 L C -2.482 173.880 176.870 -0.847 0.000 1.003 25 L CA -1.684 52.640 54.840 -0.860 0.000 0.862 25 L CB 1.445 43.030 42.059 -0.790 0.000 1.221 25 L HN 0.376 8.606 8.230 -0.000 0.000 0.430 26 P HA -0.053 4.367 4.420 -0.000 0.000 0.301 26 P C -1.456 175.781 177.300 -0.105 0.000 1.560 26 P CA 0.383 63.271 63.100 -0.352 0.000 0.784 26 P CB -0.539 31.038 31.700 -0.205 0.000 1.715 27 W N -0.652 120.544 121.300 -0.173 0.000 3.800 27 W HA 0.343 4.971 4.660 -0.053 0.000 0.299 27 W C -1.336 174.954 176.519 -0.381 0.000 1.231 27 W CA -1.624 55.476 57.345 -0.409 0.000 1.232 27 W CB 0.402 29.463 29.460 -0.666 0.000 1.291 27 W HN -0.207 7.973 8.180 -0.000 0.000 0.514 28 K N 3.877 124.208 120.400 -0.115 0.000 2.354 28 K HA 0.661 4.949 4.320 -0.054 0.000 0.257 28 K C -1.157 175.391 176.600 -0.086 0.000 1.062 28 K CA -0.614 55.636 56.287 -0.062 0.000 0.971 28 K CB 0.888 33.389 32.500 0.002 0.000 1.305 28 K HN 0.731 8.981 8.250 -0.000 0.000 0.449 29 L N 4.225 125.396 121.223 -0.087 0.000 2.366 29 L HA 0.291 4.599 4.340 -0.054 0.000 0.266 29 L C 1.179 178.036 176.870 -0.023 0.000 1.010 29 L CA -0.729 54.057 54.840 -0.089 0.000 0.879 29 L CB 1.411 43.291 42.059 -0.299 0.000 1.228 29 L HN 0.702 8.932 8.230 -0.000 0.000 0.439 30 K N 1.761 122.179 120.400 0.030 0.000 2.097 30 K HA -0.115 4.173 4.320 -0.054 0.000 0.206 30 K C 1.709 178.355 176.600 0.076 0.000 1.049 30 K CA 1.222 57.531 56.287 0.037 0.000 0.933 30 K CB 0.352 32.882 32.500 0.051 0.000 0.717 30 K HN 0.392 8.642 8.250 -0.000 0.000 0.442 31 K N 0.685 121.170 120.400 0.141 0.000 2.155 31 K HA -0.097 4.190 4.320 -0.054 0.000 0.203 31 K C 1.954 178.724 176.600 0.284 0.000 1.052 31 K CA 0.757 57.176 56.287 0.220 0.000 0.948 31 K CB 0.014 32.684 32.500 0.284 0.000 0.728 31 K HN 0.231 8.481 8.250 -0.000 0.000 0.448 32 E N 1.163 121.469 120.200 0.176 0.000 2.072 32 E HA -0.100 4.218 4.350 -0.054 0.000 0.191 32 E C 1.877 178.591 176.600 0.190 0.000 0.985 32 E CA 0.616 57.097 56.400 0.136 0.000 0.801 32 E CB 0.099 29.616 29.700 -0.305 0.000 0.750 32 E HN 0.094 8.454 8.360 -0.000 0.000 0.452 33 I N 0.882 121.498 120.570 0.077 0.000 2.394 33 I HA -0.186 3.952 4.170 -0.054 0.000 0.251 33 I C 2.531 178.715 176.117 0.112 0.000 1.136 33 I CA 0.931 62.255 61.300 0.040 0.000 1.425 33 I CB -1.148 36.796 38.000 -0.092 0.000 1.079 33 I HN 0.078 8.288 8.210 -0.000 0.000 0.425 34 S N 0.266 116.034 115.700 0.114 0.000 2.383 34 S HA -0.253 4.184 4.470 -0.054 0.000 0.227 34 S C 2.252 176.919 174.600 0.112 0.000 1.026 34 S CA 1.119 59.379 58.200 0.099 0.000 0.981 34 S CB -0.480 62.785 63.200 0.108 0.000 0.818 34 S HN 0.462 8.772 8.310 -0.000 0.000 0.472 35 Y N 1.252 121.573 120.300 0.034 0.000 2.145 35 Y HA -0.081 4.411 4.550 -0.097 0.000 0.286 35 Y C 1.904 177.756 175.900 -0.079 0.000 1.145 35 Y CA 1.842 59.889 58.100 -0.089 0.000 1.148 35 Y CB -0.991 37.341 38.460 -0.214 0.000 0.981 35 Y HN 0.407 8.687 8.280 -0.000 0.000 0.507 36 F N 1.255 121.100 119.950 -0.176 0.000 2.095 36 F HA -0.230 4.266 4.527 -0.052 0.000 0.298 36 F C 2.476 178.097 175.800 -0.299 0.000 1.104 36 F CA 2.500 60.343 58.000 -0.261 0.000 1.232 36 F CB -0.535 38.399 39.000 -0.109 0.000 0.987 36 F HN 0.037 8.337 8.300 -0.000 0.000 0.475 37 K N 0.381 120.751 120.400 -0.051 0.000 2.026 37 K HA -0.246 4.041 4.320 -0.054 0.000 0.208 37 K C 2.528 178.975 176.600 -0.256 0.000 1.048 37 K CA 1.629 57.834 56.287 -0.137 0.000 0.929 37 K CB -0.367 32.135 32.500 0.003 0.000 0.713 37 K HN 0.311 8.561 8.250 -0.000 0.000 0.439 38 R N 0.352 120.716 120.500 -0.226 0.000 2.081 38 R HA -0.117 4.190 4.340 -0.054 0.000 0.235 38 R C 1.968 178.093 176.300 -0.293 0.000 1.131 38 R CA 1.676 57.648 56.100 -0.213 0.000 0.960 38 R CB -0.222 29.973 30.300 -0.175 0.000 0.856 38 R HN 0.089 8.359 8.270 -0.000 0.000 0.436 39 V N 0.983 120.591 119.914 -0.509 0.000 2.244 39 V HA -0.219 3.869 4.120 -0.054 0.000 0.244 39 V C 2.499 178.242 176.094 -0.584 0.000 1.042 39 V CA 2.292 64.286 62.300 -0.510 0.000 1.006 39 V CB -0.853 30.533 31.823 -0.727 0.000 0.641 39 V HN 0.670 8.860 8.190 -0.000 0.000 0.446 40 T N -2.402 111.580 114.554 -0.953 0.000 2.977 40 T HA -0.132 4.186 4.350 -0.054 0.000 0.271 40 T C 1.718 176.128 174.700 -0.484 0.000 1.105 40 T CA 1.692 63.106 62.100 -1.144 0.000 1.116 40 T CB -0.229 67.901 68.868 -1.229 0.000 0.878 40 T HN 0.405 8.645 8.240 -0.000 0.000 0.509 41 S N 0.188 115.705 115.700 -0.306 0.000 2.499 41 S HA 0.319 4.757 4.470 -0.054 0.000 0.225 41 S C 0.289 174.862 174.600 -0.045 0.000 1.050 41 S CA -0.773 57.346 58.200 -0.135 0.000 0.928 41 S CB -0.304 62.832 63.200 -0.106 0.000 0.803 41 S HN 0.571 8.881 8.310 -0.000 0.000 0.506 42 F N 4.863 124.704 119.950 -0.181 0.000 2.623 42 F HA 0.296 4.856 4.527 0.056 0.000 0.383 42 F C -0.155 175.568 175.800 -0.129 0.000 1.077 42 F CA -0.545 57.365 58.000 -0.150 0.000 1.268 42 F CB 0.430 39.326 39.000 -0.172 0.000 1.053 42 F HN -0.031 8.269 8.300 -0.000 0.000 0.571 43 V N 5.231 124.589 119.914 -0.928 0.000 2.888 43 V HA 0.604 4.692 4.120 -0.054 0.000 0.309 43 V C -2.693 172.813 176.094 -0.981 0.000 1.114 43 V CA -2.148 59.636 62.300 -0.860 0.000 0.940 43 V CB 1.535 33.126 31.823 -0.387 0.000 1.021 43 V HN 0.729 8.919 8.190 -0.000 0.000 0.426 44 P HA 0.080 4.500 4.420 -0.000 0.000 0.265 44 P C 0.953 178.145 177.300 -0.181 0.000 1.187 44 P CA 0.418 63.285 63.100 -0.388 0.000 0.766 44 P CB 0.738 32.315 31.700 -0.206 0.000 0.820 45 T N 2.250 116.772 114.554 -0.053 0.000 2.597 45 T HA -0.238 4.080 4.350 -0.054 0.000 0.267 45 T C 1.372 176.070 174.700 -0.002 0.000 1.053 45 T CA 1.647 63.731 62.100 -0.025 0.000 1.165 45 T CB -0.902 67.989 68.868 0.038 0.000 0.863 45 T HN 0.387 8.627 8.240 -0.000 0.000 0.427 46 F N 2.249 122.167 119.950 -0.053 0.000 2.065 46 F HA -0.155 4.337 4.527 -0.058 0.000 0.298 46 F C 1.572 177.387 175.800 0.025 0.000 1.112 46 F CA 1.764 59.767 58.000 0.005 0.000 1.212 46 F CB -0.448 38.557 39.000 0.009 0.000 0.975 46 F HN 0.197 8.497 8.300 -0.000 0.000 0.476 47 D N -1.225 119.235 120.400 0.100 0.000 2.336 47 D HA -0.033 4.575 4.640 -0.054 0.000 0.229 47 D C 2.038 178.292 176.300 -0.077 0.000 1.061 47 D CA 0.520 54.525 54.000 0.008 0.000 0.875 47 D CB -0.037 40.773 40.800 0.017 0.000 0.904 47 D HN 0.137 8.507 8.370 -0.000 0.000 0.525 48 S N -0.719 114.892 115.700 -0.148 0.000 2.474 48 S HA -0.095 4.343 4.470 -0.054 0.000 0.235 48 S C 1.349 175.819 174.600 -0.216 0.000 0.997 48 S CA 0.597 58.666 58.200 -0.219 0.000 0.949 48 S CB -0.149 62.879 63.200 -0.286 0.000 0.766 48 S HN 0.160 8.470 8.310 -0.000 0.000 0.517 49 F N 2.525 122.396 119.950 -0.132 0.000 2.039 49 F HA -0.003 4.496 4.527 -0.047 0.000 0.294 49 F C 2.725 178.474 175.800 -0.085 0.000 1.130 49 F CA 1.602 59.533 58.000 -0.113 0.000 1.189 49 F CB -0.520 38.390 39.000 -0.150 0.000 0.983 49 F HN 0.329 8.629 8.300 -0.000 0.000 0.471 50 E N -0.279 120.003 120.200 0.137 0.000 2.079 50 E HA 0.034 4.351 4.350 -0.054 0.000 0.191 50 E C 0.874 177.482 176.600 0.013 0.000 0.961 50 E CA 0.495 56.932 56.400 0.061 0.000 0.823 50 E CB -1.070 28.654 29.700 0.040 0.000 0.789 50 E HN 0.138 8.498 8.360 -0.000 0.000 0.459 51 S N 1.044 116.736 115.700 -0.013 0.000 2.550 51 S HA 0.207 4.645 4.470 -0.054 0.000 0.285 51 S C 0.258 174.812 174.600 -0.077 0.000 1.326 51 S CA 0.362 58.531 58.200 -0.053 0.000 1.037 51 S CB 0.229 63.386 63.200 -0.072 0.000 0.838 51 S HN 0.431 8.741 8.310 -0.000 0.000 0.519 52 M N 2.247 121.788 119.600 -0.100 0.000 2.426 52 M HA 0.292 4.740 4.480 -0.054 0.000 0.289 52 M C -1.754 174.482 176.300 -0.106 0.000 1.168 52 M CA -0.646 54.594 55.300 -0.100 0.000 0.933 52 M CB 1.374 33.920 32.600 -0.090 0.000 1.750 52 M HN 0.501 8.791 8.290 -0.000 0.000 0.494 53 N N 1.508 120.170 118.700 -0.063 0.000 2.445 53 N HA 0.593 5.301 4.740 -0.054 0.000 0.264 53 N C -1.303 174.208 175.510 0.003 0.000 1.227 53 N CA -0.281 52.769 53.050 0.000 0.000 0.963 53 N CB 1.545 40.108 38.487 0.126 0.000 1.188 53 N HN 0.415 8.795 8.380 -0.000 0.000 0.491 54 V N 0.643 120.583 119.914 0.043 0.000 2.628 54 V HA 0.482 4.570 4.120 -0.054 0.000 0.306 54 V C -0.092 176.088 176.094 0.143 0.000 1.045 54 V CA -0.922 61.398 62.300 0.034 0.000 0.905 54 V CB 1.764 33.557 31.823 -0.050 0.000 0.997 54 V HN 0.473 8.663 8.190 -0.000 0.000 0.436 55 V N 3.195 123.184 119.914 0.126 0.000 2.444 55 V HA 0.705 4.793 4.120 -0.054 0.000 0.294 55 V C -0.782 175.394 176.094 0.137 0.000 1.022 55 V CA -0.636 61.765 62.300 0.168 0.000 0.850 55 V CB 1.387 33.304 31.823 0.157 0.000 0.992 55 V HN 0.663 8.853 8.190 -0.000 0.000 0.426 56 L N 6.517 127.817 121.223 0.129 0.000 2.317 56 L HA 0.845 5.153 4.340 -0.054 0.000 0.281 56 L C 0.021 176.945 176.870 0.091 0.000 1.024 56 L CA -0.568 54.324 54.840 0.086 0.000 0.810 56 L CB 1.773 43.862 42.059 0.049 0.000 1.240 56 L HN 0.899 9.129 8.230 -0.000 0.000 0.427 57 M N 0.806 120.451 119.600 0.076 0.000 2.569 57 M HA 0.747 5.195 4.480 -0.054 0.000 0.279 57 M C -0.430 175.891 176.300 0.036 0.000 1.253 57 M CA -0.639 54.697 55.300 0.061 0.000 0.867 57 M CB 2.010 34.692 32.600 0.136 0.000 1.727 57 M HN 0.464 8.754 8.290 -0.000 0.000 0.467 58 G N 0.661 109.462 108.800 0.002 0.000 2.537 58 G HA2 0.342 4.270 3.960 -0.054 0.000 0.273 58 G HA3 0.342 4.270 3.960 -0.054 0.000 0.273 58 G C 0.285 175.223 174.900 0.063 0.000 1.189 58 G CA -0.597 44.505 45.100 0.004 0.000 0.881 58 G HN 1.007 9.297 8.290 -0.000 0.000 0.535 59 R N 0.223 120.754 120.500 0.052 0.000 2.097 59 R HA -0.126 4.182 4.340 -0.054 0.000 0.236 59 R C 2.321 178.716 176.300 0.158 0.000 1.135 59 R CA 1.898 58.061 56.100 0.104 0.000 0.934 59 R CB -0.372 29.959 30.300 0.050 0.000 0.846 59 R HN 0.593 8.863 8.270 -0.000 0.000 0.431 60 K N -0.648 119.797 120.400 0.076 0.000 2.218 60 K HA -0.117 4.171 4.320 -0.054 0.000 0.205 60 K C 1.949 178.568 176.600 0.031 0.000 1.046 60 K CA 1.922 58.236 56.287 0.046 0.000 0.933 60 K CB -0.100 32.405 32.500 0.010 0.000 0.728 60 K HN 0.289 8.539 8.250 -0.000 0.000 0.454 61 T N 0.385 114.963 114.554 0.040 0.000 2.985 61 T HA -0.115 4.203 4.350 -0.054 0.000 0.266 61 T C 1.121 175.855 174.700 0.056 0.000 1.076 61 T CA 0.446 62.552 62.100 0.010 0.000 1.135 61 T CB -0.098 68.763 68.868 -0.011 0.000 0.890 61 T HN 0.465 8.705 8.240 -0.000 0.000 0.480 62 W N 2.434 123.713 121.300 -0.036 0.000 2.379 62 W HA -0.110 4.517 4.660 -0.055 0.000 0.307 62 W C 1.532 178.040 176.519 -0.019 0.000 1.200 62 W CA 1.131 58.465 57.345 -0.019 0.000 1.297 62 W CB -0.115 29.339 29.460 -0.010 0.000 1.140 62 W HN 0.380 8.560 8.180 -0.000 0.000 0.507 63 E N 0.481 120.670 120.200 -0.018 0.000 2.153 63 E HA -0.216 4.102 4.350 -0.054 0.000 0.194 63 E C 2.258 178.751 176.600 -0.178 0.000 0.988 63 E CA 1.886 58.212 56.400 -0.123 0.000 0.811 63 E CB -0.484 29.221 29.700 0.009 0.000 0.746 63 E HN 0.208 8.568 8.360 -0.000 0.000 0.466 64 S N 0.757 116.375 115.700 -0.137 0.000 2.507 64 S HA -0.070 4.367 4.470 -0.054 0.000 0.235 64 S C 0.948 175.441 174.600 -0.178 0.000 0.988 64 S CA 0.192 58.306 58.200 -0.144 0.000 0.944 64 S CB -0.456 62.666 63.200 -0.129 0.000 0.762 64 S HN 0.083 8.393 8.310 -0.000 0.000 0.526 65 I N 2.796 123.220 120.570 -0.244 0.000 2.371 65 I HA 0.300 4.437 4.170 -0.054 0.000 0.290 65 I C -2.447 173.554 176.117 -0.194 0.000 1.028 65 I CA -2.668 58.493 61.300 -0.231 0.000 1.345 65 I CB 0.775 38.591 38.000 -0.305 0.000 1.407 65 I HN -0.042 8.168 8.210 -0.000 0.000 0.501 66 P HA -0.040 4.380 4.420 -0.000 0.000 0.261 66 P C 0.512 177.755 177.300 -0.096 0.000 1.183 66 P CA -0.090 63.001 63.100 -0.014 0.000 0.761 66 P CB 0.396 32.211 31.700 0.191 0.000 0.785 67 L N 3.226 124.360 121.223 -0.149 0.000 2.197 67 L HA -0.245 4.063 4.340 -0.054 0.000 0.215 67 L C 2.405 179.159 176.870 -0.193 0.000 1.095 67 L CA 1.797 56.534 54.840 -0.171 0.000 0.764 67 L CB -1.437 40.546 42.059 -0.126 0.000 0.897 67 L HN 0.490 8.720 8.230 -0.000 0.000 0.436 68 Q N -0.717 118.922 119.800 -0.268 0.000 2.291 68 Q HA -0.183 4.125 4.340 -0.054 0.000 0.206 68 Q C 1.354 176.949 176.000 -0.674 0.000 0.976 68 Q CA 1.543 57.049 55.803 -0.494 0.000 0.875 68 Q CB 0.035 28.369 28.738 -0.673 0.000 0.927 68 Q HN 0.519 8.789 8.270 -0.000 0.000 0.450 69 F N -0.215 119.674 119.950 -0.101 0.000 2.682 69 F HA 0.355 4.852 4.527 -0.050 0.000 0.308 69 F C 0.199 175.932 175.800 -0.112 0.000 1.093 69 F CA -0.354 57.593 58.000 -0.089 0.000 1.244 69 F CB 0.625 39.574 39.000 -0.086 0.000 1.052 69 F HN -0.212 8.088 8.300 -0.000 0.000 0.573 70 R N 1.506 121.963 120.500 -0.071 0.000 2.254 70 R HA 0.388 4.696 4.340 -0.054 0.000 0.318 70 R C -2.399 173.907 176.300 0.011 0.000 1.031 70 R CA -1.470 54.530 56.100 -0.165 0.000 0.905 70 R CB 0.527 30.483 30.300 -0.573 0.000 1.050 70 R HN -0.064 8.206 8.270 -0.000 0.000 0.456 71 P HA 0.185 4.605 4.420 -0.000 0.000 0.278 71 P C -0.607 176.786 177.300 0.155 0.000 1.266 71 P CA -0.708 62.527 63.100 0.224 0.000 0.807 71 P CB 0.660 32.523 31.700 0.273 0.000 1.094 72 L N 1.149 122.477 121.223 0.175 0.000 2.485 72 L HA 0.113 4.421 4.340 -0.054 0.000 0.279 72 L C 0.812 177.748 176.870 0.110 0.000 1.124 72 L CA -0.125 54.803 54.840 0.148 0.000 0.888 72 L CB -0.577 41.578 42.059 0.161 0.000 1.217 72 L HN 0.266 8.496 8.230 -0.000 0.000 0.464 73 K N 2.652 123.113 120.400 0.101 0.000 2.527 73 K HA 0.087 4.375 4.320 -0.054 0.000 0.278 73 K C 1.195 177.819 176.600 0.040 0.000 0.981 73 K CA 0.723 57.051 56.287 0.069 0.000 1.009 73 K CB 0.258 32.800 32.500 0.070 0.000 0.895 73 K HN 0.876 9.126 8.250 -0.000 0.000 0.493 74 G N 2.183 110.999 108.800 0.027 0.000 2.168 74 G HA2 -0.321 3.607 3.960 -0.054 0.000 0.257 74 G HA3 -0.321 3.607 3.960 -0.054 0.000 0.257 74 G C -0.223 174.673 174.900 -0.006 0.000 0.997 74 G CA 0.335 45.438 45.100 0.005 0.000 0.708 74 G HN 0.595 8.885 8.290 -0.000 0.000 0.520 75 R N -1.240 119.267 120.500 0.011 0.000 2.626 75 R HA 0.550 4.858 4.340 -0.054 0.000 0.274 75 R C -0.080 176.235 176.300 0.025 0.000 1.031 75 R CA -1.038 55.066 56.100 0.007 0.000 0.898 75 R CB 1.425 31.730 30.300 0.007 0.000 1.222 75 R HN 0.158 8.428 8.270 -0.000 0.000 0.455 76 I N 2.698 123.272 120.570 0.007 0.000 2.421 76 I HA 0.090 4.227 4.170 -0.054 0.000 0.291 76 I C -0.026 176.131 176.117 0.067 0.000 1.089 76 I CA 0.190 61.506 61.300 0.027 0.000 1.354 76 I CB 0.292 38.272 38.000 -0.033 0.000 1.413 76 I HN 0.358 8.568 8.210 -0.000 0.000 0.513 77 N N 6.096 124.842 118.700 0.077 0.000 2.456 77 N HA 0.524 5.232 4.740 -0.054 0.000 0.288 77 N C -1.078 174.469 175.510 0.062 0.000 1.059 77 N CA -0.563 52.546 53.050 0.098 0.000 0.946 77 N CB 2.607 41.188 38.487 0.156 0.000 1.150 77 N HN 0.205 8.585 8.380 -0.000 0.000 0.479 78 V N 2.257 122.207 119.914 0.060 0.000 2.612 78 V HA 0.227 4.315 4.120 -0.054 0.000 0.301 78 V C -0.283 175.800 176.094 -0.018 0.000 1.059 78 V CA -0.812 61.509 62.300 0.035 0.000 0.886 78 V CB 2.001 33.864 31.823 0.067 0.000 1.007 78 V HN 0.336 8.526 8.190 -0.000 0.000 0.426 79 V N 6.051 125.898 119.914 -0.112 0.000 2.370 79 V HA 0.467 4.555 4.120 -0.054 0.000 0.279 79 V C -0.111 175.934 176.094 -0.081 0.000 1.029 79 V CA -0.503 61.721 62.300 -0.127 0.000 0.870 79 V CB 1.464 33.088 31.823 -0.332 0.000 0.984 79 V HN 0.657 8.847 8.190 -0.000 0.000 0.451 80 I N 4.550 125.099 120.570 -0.035 0.000 2.416 80 I HA 0.505 4.643 4.170 -0.054 0.000 0.288 80 I C 0.476 176.576 176.117 -0.029 0.000 1.051 80 I CA 0.880 62.167 61.300 -0.021 0.000 1.375 80 I CB 1.438 39.438 38.000 0.001 0.000 1.407 80 I HN 0.752 8.962 8.210 -0.000 0.000 0.516 81 T N 5.795 120.327 114.554 -0.036 0.000 3.578 81 T HA 0.296 4.614 4.350 -0.054 0.000 0.343 81 T C 0.584 175.260 174.700 -0.040 0.000 1.126 81 T CA -0.803 61.275 62.100 -0.035 0.000 1.092 81 T CB 0.582 69.421 68.868 -0.049 0.000 1.160 81 T HN 0.713 8.953 8.240 -0.000 0.000 0.469 82 R N 2.783 123.265 120.500 -0.029 0.000 2.307 82 R HA 0.163 4.471 4.340 -0.054 0.000 0.199 82 R C 0.277 176.555 176.300 -0.037 0.000 1.000 82 R CA 0.011 56.089 56.100 -0.036 0.000 1.023 82 R CB -0.188 30.100 30.300 -0.020 0.000 0.908 82 R HN 0.316 8.586 8.270 -0.000 0.000 0.473 83 N N 1.524 120.204 118.700 -0.033 0.000 2.399 83 N HA 0.089 4.797 4.740 -0.054 0.000 0.280 83 N C -1.620 173.869 175.510 -0.035 0.000 1.008 83 N CA -0.587 52.446 53.050 -0.029 0.000 0.894 83 N CB 1.482 39.958 38.487 -0.018 0.000 1.273 83 N HN -0.049 8.331 8.380 -0.000 0.000 0.486 84 E N 0.994 121.172 120.200 -0.037 0.000 2.259 84 E HA 0.268 4.586 4.350 -0.054 0.000 0.281 84 E C -0.321 176.261 176.600 -0.030 0.000 1.037 84 E CA 0.078 56.454 56.400 -0.040 0.000 0.854 84 E CB 0.961 30.637 29.700 -0.040 0.000 1.051 84 E HN 0.390 8.750 8.360 -0.000 0.000 0.409 85 S N 2.598 118.279 115.700 -0.032 0.000 2.711 85 S HA 0.101 4.539 4.470 -0.054 0.000 0.247 85 S C -0.291 174.297 174.600 -0.020 0.000 1.079 85 S CA -0.405 57.784 58.200 -0.019 0.000 1.050 85 S CB -0.499 62.694 63.200 -0.010 0.000 0.885 85 S HN 0.571 8.881 8.310 -0.000 0.000 0.498 86 L N 0.475 121.682 121.223 -0.027 0.000 3.905 86 L HA -0.219 4.088 4.340 -0.054 0.000 0.437 86 L C -0.834 176.021 176.870 -0.024 0.000 1.152 86 L CA 0.672 55.498 54.840 -0.024 0.000 0.935 86 L CB -2.707 39.343 42.059 -0.015 0.000 1.841 86 L HN 0.311 8.541 8.230 -0.000 0.000 0.998 87 D N -0.259 120.118 120.400 -0.038 0.000 2.440 87 D HA 0.564 5.172 4.640 -0.054 0.000 0.239 87 D C 0.636 176.885 176.300 -0.084 0.000 1.084 87 D CA -0.275 53.705 54.000 -0.035 0.000 0.843 87 D CB 1.172 41.969 40.800 -0.004 0.000 1.097 87 D HN 0.417 8.787 8.370 -0.000 0.000 0.531 88 L N 0.179 121.364 121.223 -0.064 0.000 2.519 88 L HA 0.589 4.896 4.340 -0.054 0.000 0.194 88 L C 1.358 178.189 176.870 -0.064 0.000 1.072 88 L CA 0.503 55.286 54.840 -0.095 0.000 0.845 88 L CB -0.526 41.494 42.059 -0.066 0.000 1.138 88 L HN 0.532 8.762 8.230 -0.000 0.000 0.487 89 G N 1.925 110.720 108.800 -0.008 0.000 2.368 89 G HA2 -0.268 3.660 3.960 -0.054 0.000 0.290 89 G HA3 -0.268 3.660 3.960 -0.054 0.000 0.290 89 G C -0.145 174.767 174.900 0.019 0.000 1.098 89 G CA 0.134 45.255 45.100 0.035 0.000 1.073 89 G HN 0.621 8.911 8.290 -0.000 0.000 0.511 90 N N -1.870 116.827 118.700 -0.004 0.000 2.738 90 N HA -0.144 4.563 4.740 -0.054 0.000 0.249 90 N C 1.518 177.010 175.510 -0.030 0.000 1.047 90 N CA 2.777 55.821 53.050 -0.010 0.000 0.707 90 N CB -1.198 37.292 38.487 0.004 0.000 0.937 90 N HN 2.196 10.576 8.380 -0.000 0.000 0.545 91 G N -0.809 107.948 108.800 -0.072 0.000 3.154 91 G HA2 -0.142 3.786 3.960 -0.054 0.000 0.114 91 G HA3 -0.142 3.786 3.960 -0.054 0.000 0.114 91 G C -0.351 174.385 174.900 -0.273 0.000 2.421 91 G CA -0.207 44.804 45.100 -0.147 0.000 1.271 91 G HN 0.244 8.534 8.290 -0.000 0.000 0.371 92 I N 4.551 124.993 120.570 -0.213 0.000 3.457 92 I HA -0.098 4.039 4.170 -0.054 0.000 0.323 92 I C 0.607 176.580 176.117 -0.241 0.000 1.156 92 I CA 0.648 61.796 61.300 -0.253 0.000 1.834 92 I CB -1.288 36.536 38.000 -0.293 0.000 1.201 92 I HN 0.300 8.510 8.210 -0.000 0.000 0.423 93 H N 4.546 123.568 119.070 -0.080 0.000 2.615 93 H HA 0.324 4.847 4.556 -0.055 0.000 0.363 93 H C 0.324 175.582 175.328 -0.117 0.000 1.148 93 H CA -0.138 55.869 56.048 -0.068 0.000 1.401 93 H CB 1.345 31.100 29.762 -0.012 0.000 1.461 93 H HN 0.561 8.841 8.280 -0.000 0.000 0.588 94 S N 0.194 115.916 115.700 0.037 0.000 2.526 94 S HA 0.714 5.152 4.470 -0.054 0.000 0.293 94 S C -1.079 173.505 174.600 -0.026 0.000 1.092 94 S CA -0.490 57.682 58.200 -0.047 0.000 0.980 94 S CB 0.930 64.080 63.200 -0.084 0.000 1.048 94 S HN 0.854 9.164 8.310 -0.000 0.000 0.483 95 A N 3.488 126.289 122.820 -0.033 0.000 2.449 95 A HA 0.580 4.868 4.320 -0.054 0.000 0.302 95 A C 0.467 178.032 177.584 -0.032 0.000 1.048 95 A CA -0.681 51.344 52.037 -0.018 0.000 0.708 95 A CB 1.401 20.414 19.000 0.022 0.000 1.274 95 A HN 0.887 9.037 8.150 -0.000 0.000 0.410 96 K N 0.417 120.771 120.400 -0.076 0.000 2.148 96 K HA -0.010 4.278 4.320 -0.054 0.000 0.204 96 K C 0.638 177.241 176.600 0.005 0.000 1.050 96 K CA 1.699 57.917 56.287 -0.114 0.000 0.942 96 K CB -0.058 32.226 32.500 -0.361 0.000 0.724 96 K HN 0.940 9.190 8.250 -0.000 0.000 0.446 97 S N -1.930 113.840 115.700 0.117 0.000 2.643 97 S HA 0.126 4.564 4.470 -0.054 0.000 0.270 97 S C 0.361 175.042 174.600 0.136 0.000 1.166 97 S CA -0.953 57.341 58.200 0.158 0.000 0.815 97 S CB 0.753 64.110 63.200 0.263 0.000 1.139 97 S HN -0.002 8.308 8.310 -0.000 0.000 0.472 98 L N 1.220 122.502 121.223 0.100 0.000 2.012 98 L HA 0.028 4.336 4.340 -0.054 0.000 0.210 98 L C 1.857 178.768 176.870 0.068 0.000 1.073 98 L CA 2.226 57.105 54.840 0.064 0.000 0.748 98 L CB -1.086 41.013 42.059 0.067 0.000 0.891 98 L HN 0.848 9.078 8.230 -0.000 0.000 0.431 99 D N -1.968 118.491 120.400 0.099 0.000 2.183 99 D HA -0.158 4.450 4.640 -0.054 0.000 0.203 99 D C 1.965 178.268 176.300 0.006 0.000 0.969 99 D CA 0.835 54.879 54.000 0.073 0.000 0.842 99 D CB -0.016 40.810 40.800 0.043 0.000 0.957 99 D HN 0.510 8.880 8.370 -0.000 0.000 0.484 100 H N 0.654 119.753 119.070 0.050 0.000 2.389 100 H HA 0.009 4.532 4.556 -0.054 0.000 0.299 100 H C 2.066 177.399 175.328 0.009 0.000 1.081 100 H CA 1.191 57.256 56.048 0.028 0.000 1.345 100 H CB 0.135 29.906 29.762 0.015 0.000 1.393 100 H HN 0.081 8.361 8.280 -0.000 0.000 0.520 101 A N 0.982 123.872 122.820 0.116 0.000 1.930 101 A HA -0.088 4.200 4.320 -0.054 0.000 0.217 101 A C 2.689 180.258 177.584 -0.025 0.000 1.175 101 A CA 0.807 52.862 52.037 0.031 0.000 0.627 101 A CB -0.743 18.266 19.000 0.015 0.000 0.815 101 A HN 0.263 8.413 8.150 -0.000 0.000 0.443 102 L N -0.164 121.053 121.223 -0.011 0.000 2.056 102 L HA -0.222 4.086 4.340 -0.054 0.000 0.207 102 L C 2.756 179.646 176.870 0.032 0.000 1.078 102 L CA 1.851 56.658 54.840 -0.054 0.000 0.749 102 L CB -0.637 41.485 42.059 0.105 0.000 0.901 102 L HN 0.733 8.963 8.230 -0.000 0.000 0.433 103 E N 0.614 120.889 120.200 0.126 0.000 2.152 103 E HA -0.244 4.074 4.350 -0.054 0.000 0.192 103 E C 2.306 178.956 176.600 0.082 0.000 0.983 103 E CA 0.914 57.412 56.400 0.164 0.000 0.818 103 E CB -0.424 29.337 29.700 0.102 0.000 0.758 103 E HN 0.515 8.875 8.360 -0.000 0.000 0.467 104 L N 0.754 121.989 121.223 0.019 0.000 2.017 104 L HA -0.159 4.148 4.340 -0.054 0.000 0.208 104 L C 2.404 179.220 176.870 -0.091 0.000 1.073 104 L CA 1.194 56.005 54.840 -0.048 0.000 0.745 104 L CB -0.126 41.884 42.059 -0.082 0.000 0.894 104 L HN 0.215 8.445 8.230 -0.000 0.000 0.432 105 L N -1.298 119.864 121.223 -0.101 0.000 1.994 105 L HA -0.250 4.058 4.340 -0.054 0.000 0.208 105 L C 2.544 179.443 176.870 0.048 0.000 1.071 105 L CA 1.323 56.142 54.840 -0.034 0.000 0.745 105 L CB -0.851 41.058 42.059 -0.250 0.000 0.892 105 L HN 0.220 8.450 8.230 -0.000 0.000 0.431 106 Y N -0.270 120.083 120.300 0.088 0.000 2.403 106 Y HA -0.205 4.312 4.550 -0.054 0.000 0.291 106 Y C 2.741 178.668 175.900 0.046 0.000 1.143 106 Y CA 1.067 59.209 58.100 0.071 0.000 1.257 106 Y CB -0.528 37.953 38.460 0.035 0.000 0.984 106 Y HN 0.118 8.398 8.280 -0.000 0.000 0.550 107 R N -0.419 120.161 120.500 0.133 0.000 2.052 107 R HA -0.091 4.217 4.340 -0.054 0.000 0.224 107 R C 2.033 178.304 176.300 -0.048 0.000 1.149 107 R CA 1.676 57.800 56.100 0.042 0.000 0.962 107 R CB -0.489 29.816 30.300 0.008 0.000 0.856 107 R HN 0.149 8.419 8.270 -0.000 0.000 0.433 108 T N 0.436 114.895 114.554 -0.158 0.000 2.778 108 T HA -0.160 4.158 4.350 -0.054 0.000 0.269 108 T C 0.098 174.427 174.700 -0.620 0.000 1.050 108 T CA 1.489 63.334 62.100 -0.424 0.000 1.137 108 T CB -0.237 68.237 68.868 -0.657 0.000 0.860 108 T HN 0.186 8.426 8.240 -0.000 0.000 0.468 109 Y N -0.671 119.621 120.300 -0.012 0.000 2.699 109 Y HA 0.652 5.172 4.550 -0.051 0.000 0.326 109 Y C 1.298 177.222 175.900 0.040 0.000 1.141 109 Y CA -0.271 57.837 58.100 0.013 0.000 1.246 109 Y CB 1.033 39.495 38.460 0.003 0.000 1.426 109 Y HN 0.188 8.468 8.280 -0.000 0.000 0.559 110 G N -0.416 108.514 108.800 0.217 0.000 2.390 110 G HA2 -0.198 3.729 3.960 -0.054 0.000 0.202 110 G HA3 -0.198 3.729 3.960 -0.054 0.000 0.202 110 G C 0.724 175.676 174.900 0.087 0.000 1.210 110 G CA 0.000 45.184 45.100 0.139 0.000 1.271 110 G HN 0.519 8.809 8.290 -0.000 0.000 0.543 111 S N 0.800 116.534 115.700 0.058 0.000 2.335 111 S HA 0.032 4.469 4.470 -0.054 0.000 0.217 111 S C 1.609 176.225 174.600 0.028 0.000 1.032 111 S CA 1.877 60.099 58.200 0.037 0.000 0.985 111 S CB -0.352 62.862 63.200 0.025 0.000 0.896 111 S HN 0.589 8.899 8.310 -0.000 0.000 0.445 112 E N 1.190 121.401 120.200 0.018 0.000 2.485 112 E HA 0.138 4.456 4.350 -0.054 0.000 0.194 112 E C -0.037 176.568 176.600 0.008 0.000 1.098 112 E CA -0.158 56.246 56.400 0.007 0.000 0.878 112 E CB 0.145 29.842 29.700 -0.006 0.000 0.939 112 E HN 0.114 8.474 8.360 -0.000 0.000 0.503 113 S N -0.131 115.588 115.700 0.032 0.000 2.489 113 S HA 0.168 4.606 4.470 -0.054 0.000 0.291 113 S C 0.889 175.530 174.600 0.069 0.000 1.151 113 S CA -0.513 57.719 58.200 0.054 0.000 1.082 113 S CB 1.696 64.966 63.200 0.116 0.000 1.019 113 S HN 0.079 8.389 8.310 -0.000 0.000 0.492 114 S N 3.259 118.999 115.700 0.066 0.000 2.436 114 S HA 0.141 4.578 4.470 -0.054 0.000 0.228 114 S C 0.290 174.939 174.600 0.081 0.000 1.014 114 S CA 0.329 58.562 58.200 0.056 0.000 0.950 114 S CB 0.027 63.252 63.200 0.042 0.000 0.784 114 S HN 0.558 8.868 8.310 -0.000 0.000 0.504 115 V N 3.164 123.162 119.914 0.140 0.000 2.459 115 V HA 0.528 4.615 4.120 -0.054 0.000 0.295 115 V C -0.538 175.652 176.094 0.159 0.000 1.029 115 V CA -0.854 61.532 62.300 0.144 0.000 0.874 115 V CB 1.749 33.687 31.823 0.191 0.000 0.985 115 V HN 0.269 8.459 8.190 -0.000 0.000 0.438 116 Q N 3.080 122.910 119.800 0.050 0.000 2.241 116 Q HA 0.636 4.943 4.340 -0.054 0.000 0.262 116 Q C -0.699 175.240 176.000 -0.101 0.000 1.014 116 Q CA -0.694 55.118 55.803 0.015 0.000 0.885 116 Q CB 2.861 31.614 28.738 0.025 0.000 1.311 116 Q HN 0.632 8.902 8.270 -0.000 0.000 0.461 117 I N 1.141 121.643 120.570 -0.112 0.000 2.392 117 I HA 0.207 4.345 4.170 -0.054 0.000 0.295 117 I C 1.364 177.427 176.117 -0.091 0.000 0.985 117 I CA -0.165 61.036 61.300 -0.165 0.000 1.221 117 I CB 1.122 39.000 38.000 -0.204 0.000 1.366 117 I HN 0.649 8.859 8.210 -0.000 0.000 0.467 118 N N 5.225 123.861 118.700 -0.107 0.000 2.530 118 N HA 0.227 4.935 4.740 -0.054 0.000 0.216 118 N C 0.290 175.735 175.510 -0.109 0.000 1.031 118 N CA -0.053 52.935 53.050 -0.104 0.000 1.063 118 N CB 0.682 39.086 38.487 -0.138 0.000 1.346 118 N HN 0.492 8.872 8.380 -0.000 0.000 0.515 119 R N 0.373 120.799 120.500 -0.123 0.000 2.740 119 R HA 0.541 4.849 4.340 -0.054 0.000 0.282 119 R C -1.038 175.136 176.300 -0.211 0.000 0.969 119 R CA -0.589 55.392 56.100 -0.197 0.000 0.918 119 R CB 2.453 32.576 30.300 -0.294 0.000 1.175 119 R HN 0.223 8.493 8.270 -0.000 0.000 0.464 120 I N 2.562 122.955 120.570 -0.294 0.000 2.378 120 I HA 0.356 4.494 4.170 -0.054 0.000 0.291 120 I C -0.970 174.953 176.117 -0.322 0.000 0.992 120 I CA -0.482 60.697 61.300 -0.201 0.000 1.154 120 I CB 1.092 39.010 38.000 -0.138 0.000 1.315 120 I HN 0.322 8.532 8.210 -0.000 0.000 0.448 121 F N 5.175 125.138 119.950 0.022 0.000 2.482 121 F HA 0.456 4.950 4.527 -0.055 0.000 0.331 121 F C 0.012 175.851 175.800 0.065 0.000 1.115 121 F CA -0.869 57.163 58.000 0.053 0.000 0.955 121 F CB 1.944 40.956 39.000 0.021 0.000 1.136 121 F HN -0.003 8.297 8.300 -0.000 0.000 0.452 122 V N 5.485 125.558 119.914 0.265 0.000 2.318 122 V HA 0.169 4.257 4.120 -0.054 0.000 0.271 122 V C 0.854 177.133 176.094 0.308 0.000 1.030 122 V CA -0.327 62.101 62.300 0.214 0.000 0.844 122 V CB 0.839 32.775 31.823 0.188 0.000 1.015 122 V HN 0.766 8.956 8.190 -0.000 0.000 0.460 123 I N 2.085 122.806 120.570 0.252 0.000 3.883 123 I HA 0.708 4.846 4.170 -0.054 0.000 0.326 123 I C 0.714 176.912 176.117 0.135 0.000 1.283 123 I CA 0.265 61.752 61.300 0.310 0.000 1.161 123 I CB 0.105 38.333 38.000 0.380 0.000 1.012 123 I HN 0.651 8.861 8.210 -0.000 0.000 0.421 124 G N -0.126 108.551 108.800 -0.206 0.000 2.347 124 G HA2 0.429 4.356 3.960 -0.054 0.000 0.321 124 G HA3 0.429 4.356 3.960 -0.054 0.000 0.321 124 G C -0.494 174.026 174.900 -0.634 0.000 1.412 124 G CA -0.189 44.464 45.100 -0.746 0.000 0.990 124 G HN 1.047 9.337 8.290 -0.000 0.000 0.637 125 G N -1.520 106.840 108.800 -0.733 0.000 3.014 125 G HA2 0.529 4.457 3.960 -0.054 0.000 0.683 125 G HA3 0.529 4.457 3.960 -0.054 0.000 0.683 125 G C 0.845 175.556 174.900 -0.315 0.000 1.271 125 G CA 0.874 45.778 45.100 -0.326 0.000 0.843 125 G HN 2.301 10.591 8.290 -0.000 0.000 0.612 126 A N 1.146 123.962 122.820 -0.007 0.000 1.940 126 A HA -0.061 4.227 4.320 -0.054 0.000 0.219 126 A C 2.246 179.854 177.584 0.041 0.000 1.176 126 A CA 2.445 54.563 52.037 0.135 0.000 0.631 126 A CB -0.358 18.715 19.000 0.122 0.000 0.814 126 A HN 0.831 8.980 8.150 -0.000 0.000 0.446 127 Q N -1.381 118.413 119.800 -0.009 0.000 2.046 127 Q HA -0.118 4.189 4.340 -0.054 0.000 0.200 127 Q C 2.070 178.060 176.000 -0.017 0.000 0.975 127 Q CA 1.411 57.208 55.803 -0.010 0.000 0.836 127 Q CB -0.262 28.470 28.738 -0.010 0.000 0.896 127 Q HN 0.566 8.836 8.270 -0.000 0.000 0.428 128 L N -0.449 120.736 121.223 -0.063 0.000 2.217 128 L HA -0.128 4.179 4.340 -0.054 0.000 0.211 128 L C 1.736 178.612 176.870 0.011 0.000 1.107 128 L CA 1.471 56.280 54.840 -0.051 0.000 0.783 128 L CB -0.341 41.655 42.059 -0.106 0.000 0.919 128 L HN 0.148 8.379 8.230 -0.000 0.000 0.442 129 Y N 0.062 120.346 120.300 -0.028 0.000 2.242 129 Y HA -0.228 4.289 4.550 -0.055 0.000 0.291 129 Y C 2.637 178.427 175.900 -0.183 0.000 1.137 129 Y CA 1.466 59.511 58.100 -0.092 0.000 1.181 129 Y CB -0.665 37.695 38.460 -0.167 0.000 0.989 129 Y HN 0.237 8.517 8.280 -0.000 0.000 0.527 130 K N 0.061 120.461 120.400 -0.000 0.000 2.002 130 K HA -0.154 4.134 4.320 -0.054 0.000 0.209 130 K C 2.342 178.938 176.600 -0.007 0.000 1.048 130 K CA 1.354 57.605 56.287 -0.060 0.000 0.930 130 K CB -0.335 32.140 32.500 -0.041 0.000 0.714 130 K HN 0.169 8.419 8.250 -0.000 0.000 0.438 131 A N 0.917 123.754 122.820 0.028 0.000 1.908 131 A HA -0.155 4.133 4.320 -0.054 0.000 0.218 131 A C 2.350 179.991 177.584 0.095 0.000 1.181 131 A CA 2.107 54.179 52.037 0.059 0.000 0.627 131 A CB -1.023 18.014 19.000 0.062 0.000 0.818 131 A HN 0.510 8.660 8.150 -0.000 0.000 0.445 132 A N -1.117 121.760 122.820 0.096 0.000 1.933 132 A HA -0.099 4.189 4.320 -0.054 0.000 0.218 132 A C 2.083 179.743 177.584 0.126 0.000 1.175 132 A CA 1.894 54.005 52.037 0.123 0.000 0.628 132 A CB -0.460 18.621 19.000 0.135 0.000 0.814 132 A HN 0.419 8.569 8.150 -0.000 0.000 0.444 133 M N 0.067 119.700 119.600 0.055 0.000 2.358 133 M HA -0.086 4.362 4.480 -0.054 0.000 0.264 133 M C 0.623 176.963 176.300 0.066 0.000 1.064 133 M CA 1.078 56.394 55.300 0.027 0.000 1.093 133 M CB -1.154 31.373 32.600 -0.122 0.000 1.401 133 M HN 0.309 8.599 8.290 -0.000 0.000 0.440 134 D N -1.685 118.758 120.400 0.072 0.000 2.354 134 D HA -0.000 4.608 4.640 -0.054 0.000 0.209 134 D C 0.491 176.838 176.300 0.078 0.000 1.015 134 D CA 0.307 54.347 54.000 0.067 0.000 0.867 134 D CB -0.220 40.608 40.800 0.047 0.000 0.933 134 D HN 0.377 8.747 8.370 -0.000 0.000 0.520 135 H N 1.875 120.971 119.070 0.045 0.000 2.803 135 H HA 0.070 4.594 4.556 -0.053 0.000 0.330 135 H C -1.309 174.045 175.328 0.044 0.000 1.057 135 H CA -1.118 54.956 56.048 0.044 0.000 1.458 135 H CB 1.407 31.199 29.762 0.050 0.000 1.470 135 H HN -0.146 8.134 8.280 -0.000 0.000 0.560 136 P HA -0.108 4.312 4.420 -0.000 0.000 0.239 136 P C 0.165 177.532 177.300 0.113 0.000 1.184 136 P CA 0.991 64.067 63.100 -0.040 0.000 0.760 136 P CB 0.380 32.003 31.700 -0.129 0.000 0.884 137 K N -0.881 119.761 120.400 0.403 0.000 2.355 137 K HA 0.167 4.455 4.320 -0.054 0.000 0.198 137 K C 0.729 177.434 176.600 0.174 0.000 1.039 137 K CA -0.419 56.035 56.287 0.277 0.000 1.075 137 K CB 0.350 33.032 32.500 0.303 0.000 0.870 137 K HN 0.168 8.418 8.250 -0.000 0.000 0.540 138 L N 3.944 125.287 121.223 0.201 0.000 2.369 138 L HA 0.047 4.355 4.340 -0.054 0.000 0.279 138 L C -0.064 176.895 176.870 0.149 0.000 1.108 138 L CA 1.133 56.068 54.840 0.158 0.000 0.852 138 L CB 0.355 42.532 42.059 0.196 0.000 1.169 138 L HN 0.202 8.432 8.230 -0.000 0.000 0.452 139 D N 4.280 124.746 120.400 0.110 0.000 2.539 139 D HA 0.121 4.729 4.640 -0.054 0.000 0.232 139 D C 0.294 176.655 176.300 0.101 0.000 1.256 139 D CA -0.242 53.779 54.000 0.034 0.000 0.810 139 D CB 0.496 41.284 40.800 -0.020 0.000 1.090 139 D HN 0.491 8.861 8.370 -0.000 0.000 0.519 140 R N 0.354 120.961 120.500 0.179 0.000 2.566 140 R HA 0.583 4.890 4.340 -0.054 0.000 0.271 140 R C -1.724 174.605 176.300 0.050 0.000 1.071 140 R CA -0.609 55.550 56.100 0.098 0.000 0.915 140 R CB 1.543 31.727 30.300 -0.195 0.000 1.228 140 R HN -0.047 8.223 8.270 -0.000 0.000 0.449 141 I N 4.911 125.486 120.570 0.009 0.000 2.418 141 I HA 0.336 4.474 4.170 -0.054 0.000 0.287 141 I C -0.485 175.613 176.117 -0.033 0.000 1.008 141 I CA -0.984 60.202 61.300 -0.190 0.000 1.104 141 I CB 1.993 39.553 38.000 -0.733 0.000 1.264 141 I HN 0.422 8.632 8.210 -0.000 0.000 0.438 142 M N 5.914 125.522 119.600 0.014 0.000 2.111 142 M HA 0.466 4.914 4.480 -0.054 0.000 0.351 142 M C -0.056 176.333 176.300 0.150 0.000 1.214 142 M CA -0.444 54.936 55.300 0.133 0.000 1.120 142 M CB 0.629 33.338 32.600 0.182 0.000 1.443 142 M HN 0.579 8.869 8.290 -0.000 0.000 0.429 143 A N 2.812 125.756 122.820 0.206 0.000 2.337 143 A HA 0.807 5.095 4.320 -0.054 0.000 0.329 143 A C -0.106 177.615 177.584 0.229 0.000 1.146 143 A CA -0.482 51.650 52.037 0.158 0.000 0.800 143 A CB 0.788 19.875 19.000 0.144 0.000 1.220 143 A HN 0.624 8.774 8.150 -0.000 0.000 0.472 144 T N 3.867 118.507 114.554 0.143 0.000 2.788 144 T HA 0.394 4.712 4.350 -0.054 0.000 0.296 144 T C -0.136 174.483 174.700 -0.135 0.000 1.009 144 T CA -0.172 61.990 62.100 0.104 0.000 0.949 144 T CB 0.070 69.014 68.868 0.127 0.000 0.946 144 T HN 0.413 8.653 8.240 -0.000 0.000 0.453 145 I N 4.643 125.094 120.570 -0.199 0.000 2.352 145 I HA 0.324 4.461 4.170 -0.054 0.000 0.290 145 I C 0.326 176.094 176.117 -0.582 0.000 1.036 145 I CA -0.742 60.288 61.300 -0.450 0.000 1.336 145 I CB 0.510 38.182 38.000 -0.547 0.000 1.407 145 I HN 0.588 8.798 8.210 -0.000 0.000 0.497 146 I N 7.296 127.513 120.570 -0.588 0.000 2.307 146 I HA 0.131 4.268 4.170 -0.054 0.000 0.289 146 I C -0.571 175.304 176.117 -0.403 0.000 1.021 146 I CA -0.653 60.363 61.300 -0.474 0.000 1.224 146 I CB 0.431 38.039 38.000 -0.653 0.000 1.376 146 I HN 0.332 8.542 8.210 -0.000 0.000 0.470 147 Y N 6.599 126.855 120.300 -0.073 0.000 2.570 147 Y HA 0.369 4.885 4.550 -0.057 0.000 0.336 147 Y C 0.370 176.255 175.900 -0.024 0.000 1.284 147 Y CA -0.194 57.873 58.100 -0.055 0.000 1.761 147 Y CB -0.141 38.288 38.460 -0.053 0.000 1.724 147 Y HN 0.437 8.717 8.280 -0.000 0.000 0.455 148 K N 1.136 121.582 120.400 0.077 0.000 2.594 148 K HA 0.053 4.340 4.320 -0.054 0.000 0.262 148 K C -1.682 174.962 176.600 0.074 0.000 0.954 148 K CA -0.569 55.767 56.287 0.081 0.000 0.917 148 K CB 0.918 33.477 32.500 0.100 0.000 1.343 148 K HN 0.235 8.485 8.250 -0.000 0.000 0.428 149 D N 4.728 125.179 120.400 0.086 0.000 2.767 149 D HA 0.156 4.764 4.640 -0.054 0.000 0.231 149 D C 0.034 176.422 176.300 0.147 0.000 1.105 149 D CA -0.085 53.980 54.000 0.108 0.000 1.024 149 D CB -0.276 40.587 40.800 0.105 0.000 1.123 149 D HN 0.358 8.728 8.370 -0.000 0.000 0.470 150 I N 1.299 121.975 120.570 0.177 0.000 2.813 150 I HA -0.042 4.096 4.170 -0.054 0.000 0.287 150 I C 0.857 177.104 176.117 0.217 0.000 1.196 150 I CA -0.125 61.316 61.300 0.235 0.000 1.421 150 I CB 0.417 38.636 38.000 0.364 0.000 1.365 150 I HN 0.320 8.530 8.210 -0.000 0.000 0.591 151 H N 5.088 124.228 119.070 0.118 0.000 2.722 151 H HA 0.333 4.857 4.556 -0.053 0.000 0.328 151 H C -0.995 174.347 175.328 0.023 0.000 1.067 151 H CA -0.264 55.833 56.048 0.082 0.000 1.447 151 H CB 0.549 30.352 29.762 0.068 0.000 1.469 151 H HN 0.557 8.837 8.280 -0.000 0.000 0.544 152 C N 4.008 122.892 119.300 -0.693 0.000 3.090 152 C HA 0.225 4.653 4.460 -0.054 0.000 0.305 152 C C 0.198 174.767 174.990 -0.702 0.000 1.292 152 C CA -0.543 58.077 59.018 -0.664 0.000 1.482 152 C CB 1.982 29.361 27.740 -0.602 0.000 1.897 152 C HN 1.001 9.231 8.230 -0.000 0.000 0.469 153 D N -0.546 119.584 120.400 -0.450 0.000 2.500 153 D HA 0.208 4.816 4.640 -0.054 0.000 0.217 153 D C -0.237 176.043 176.300 -0.033 0.000 1.159 153 D CA 0.200 54.126 54.000 -0.123 0.000 0.828 153 D CB 0.149 40.924 40.800 -0.042 0.000 1.039 153 D HN 0.237 8.607 8.370 -0.000 0.000 0.512 154 V N 0.995 120.741 119.914 -0.280 0.000 2.588 154 V HA 0.540 4.628 4.120 -0.054 0.000 0.304 154 V C -1.123 174.805 176.094 -0.277 0.000 1.042 154 V CA -0.741 61.505 62.300 -0.090 0.000 0.877 154 V CB 1.522 33.309 31.823 -0.059 0.000 0.996 154 V HN -0.076 8.114 8.190 -0.000 0.000 0.425 155 F N 2.683 122.694 119.950 0.103 0.000 2.593 155 F HA 0.578 5.073 4.527 -0.053 0.000 0.320 155 F C -0.297 175.624 175.800 0.201 0.000 1.060 155 F CA -1.092 57.008 58.000 0.166 0.000 0.940 155 F CB 1.510 40.593 39.000 0.137 0.000 1.268 155 F HN 0.407 8.707 8.300 -0.000 0.000 0.475 156 F N 5.296 125.429 119.950 0.305 0.000 2.495 156 F HA 0.260 4.757 4.527 -0.051 0.000 0.365 156 F C -1.091 174.765 175.800 0.093 0.000 1.090 156 F CA -2.117 55.984 58.000 0.170 0.000 1.235 156 F CB 0.777 39.880 39.000 0.172 0.000 1.119 156 F HN 0.258 8.558 8.300 -0.000 0.000 0.562 157 P HA -0.147 4.273 4.420 -0.000 0.000 0.218 157 P C -0.052 177.084 177.300 -0.273 0.000 1.148 157 P CA 1.258 64.175 63.100 -0.305 0.000 0.822 157 P CB 0.586 32.096 31.700 -0.318 0.000 0.784 158 L N -0.073 120.935 121.223 -0.360 0.000 2.356 158 L HA 0.338 4.645 4.340 -0.054 0.000 0.277 158 L C 0.025 176.806 176.870 -0.149 0.000 0.996 158 L CA -0.825 53.877 54.840 -0.230 0.000 0.822 158 L CB 1.916 43.747 42.059 -0.380 0.000 1.256 158 L HN -0.326 7.904 8.230 -0.000 0.000 0.413 159 K N 5.933 126.163 120.400 -0.283 0.000 2.243 159 K HA 0.047 4.335 4.320 -0.054 0.000 0.232 159 K C 0.710 177.249 176.600 -0.101 0.000 1.237 159 K CA -0.026 55.937 56.287 -0.539 0.000 1.161 159 K CB -0.254 32.008 32.500 -0.397 0.000 1.505 159 K HN 0.575 8.825 8.250 -0.000 0.000 0.271 160 F N -0.317 119.451 119.950 -0.303 0.000 2.451 160 F HA -0.043 4.451 4.527 -0.056 0.000 0.299 160 F C 1.282 176.898 175.800 -0.308 0.000 1.101 160 F CA 0.443 58.180 58.000 -0.437 0.000 1.436 160 F CB -0.167 38.200 39.000 -1.056 0.000 1.074 160 F HN 0.063 8.363 8.300 -0.000 0.000 0.553 161 R N 0.204 120.208 120.500 -0.828 0.000 2.300 161 R HA 0.088 4.396 4.340 -0.054 0.000 0.199 161 R C -0.327 175.958 176.300 -0.025 0.000 0.920 161 R CA 0.060 55.770 56.100 -0.649 0.000 1.046 161 R CB -0.343 29.472 30.300 -0.807 0.000 0.984 161 R HN 0.257 8.527 8.270 -0.000 0.000 0.493 162 D N 0.836 121.300 120.400 0.106 0.000 2.354 162 D HA 0.016 4.624 4.640 -0.054 0.000 0.247 162 D C 0.864 177.287 176.300 0.206 0.000 1.138 162 D CA -0.124 53.980 54.000 0.173 0.000 0.958 162 D CB 0.924 41.829 40.800 0.175 0.000 1.144 162 D HN -0.199 8.171 8.370 -0.000 0.000 0.458 163 K N 1.011 121.499 120.400 0.148 0.000 2.074 163 K HA -0.239 4.049 4.320 -0.054 0.000 0.209 163 K C 1.500 178.153 176.600 0.088 0.000 1.048 163 K CA 1.637 57.998 56.287 0.124 0.000 0.926 163 K CB 0.028 32.575 32.500 0.077 0.000 0.713 163 K HN 0.581 8.831 8.250 -0.000 0.000 0.444 164 E N -1.142 119.065 120.200 0.013 0.000 2.219 164 E HA -0.211 4.106 4.350 -0.054 0.000 0.198 164 E C 1.027 177.474 176.600 -0.256 0.000 0.998 164 E CA 1.383 57.683 56.400 -0.167 0.000 0.818 164 E CB -0.365 29.160 29.700 -0.293 0.000 0.741 164 E HN 0.520 8.880 8.360 -0.000 0.000 0.477 165 W N 1.276 122.667 121.300 0.152 0.000 3.132 165 W HA 0.208 4.836 4.660 -0.052 0.000 0.364 165 W C 1.843 178.533 176.519 0.286 0.000 1.129 165 W CA 0.149 57.638 57.345 0.240 0.000 1.815 165 W CB 0.674 30.329 29.460 0.326 0.000 1.099 165 W HN 0.111 8.291 8.180 -0.000 0.000 0.605 166 S N -0.579 115.348 115.700 0.379 0.000 2.547 166 S HA -0.163 4.274 4.470 -0.054 0.000 0.235 166 S C 1.715 176.475 174.600 0.265 0.000 0.980 166 S CA 1.305 59.711 58.200 0.344 0.000 0.941 166 S CB -0.586 62.763 63.200 0.248 0.000 0.763 166 S HN 0.176 8.486 8.310 -0.000 0.000 0.532 167 S N -0.090 115.740 115.700 0.217 0.000 2.517 167 S HA 0.243 4.681 4.470 -0.054 0.000 0.214 167 S C 1.400 176.086 174.600 0.143 0.000 0.991 167 S CA 0.245 58.532 58.200 0.144 0.000 0.906 167 S CB -0.085 63.167 63.200 0.088 0.000 0.789 167 S HN 0.352 8.662 8.310 -0.000 0.000 0.513 168 V N -0.561 119.486 119.914 0.220 0.000 2.599 168 V HA 0.281 4.368 4.120 -0.054 0.000 0.237 168 V C 0.262 176.331 176.094 -0.041 0.000 1.081 168 V CA 0.074 62.426 62.300 0.086 0.000 1.107 168 V CB -0.406 31.538 31.823 0.201 0.000 0.808 168 V HN 0.534 8.724 8.190 -0.000 0.000 0.486 169 W N 1.889 123.396 121.300 0.344 0.000 2.338 169 W HA 0.514 5.140 4.660 -0.057 0.000 0.307 169 W C 0.061 176.877 176.519 0.495 0.000 1.167 169 W CA -0.370 57.220 57.345 0.408 0.000 1.208 169 W CB 0.634 30.372 29.460 0.464 0.000 1.228 169 W HN -0.109 8.071 8.180 -0.000 0.000 0.499 170 K N 3.144 123.871 120.400 0.546 0.000 2.259 170 K HA 0.318 4.606 4.320 -0.054 0.000 0.252 170 K C -0.657 175.951 176.600 0.013 0.000 0.936 170 K CA -1.311 55.136 56.287 0.266 0.000 0.810 170 K CB 2.077 34.639 32.500 0.104 0.000 1.143 170 K HN 0.383 8.633 8.250 -0.000 0.000 0.427 171 K N 2.864 122.960 120.400 -0.507 0.000 2.276 171 K HA 0.089 4.376 4.320 -0.054 0.000 0.285 171 K C -0.333 176.009 176.600 -0.429 0.000 1.062 171 K CA -0.257 55.422 56.287 -1.013 0.000 0.918 171 K CB 0.709 32.413 32.500 -1.327 0.000 1.055 171 K HN 0.366 8.616 8.250 -0.000 0.000 0.477 172 E N 3.270 123.276 120.200 -0.323 0.000 2.349 172 E HA 0.087 4.405 4.350 -0.054 0.000 0.265 172 E C -0.385 176.139 176.600 -0.126 0.000 1.064 172 E CA -0.262 56.041 56.400 -0.162 0.000 0.886 172 E CB 0.913 30.544 29.700 -0.114 0.000 1.036 172 E HN 0.479 8.839 8.360 -0.000 0.000 0.413 173 K N 0.757 121.115 120.400 -0.071 0.000 2.397 173 K HA -0.072 4.216 4.320 -0.054 0.000 0.265 173 K C 1.122 177.699 176.600 -0.039 0.000 0.982 173 K CA 0.122 56.389 56.287 -0.033 0.000 0.931 173 K CB 0.275 32.769 32.500 -0.010 0.000 0.943 173 K HN 0.497 8.747 8.250 -0.000 0.000 0.501 174 H N 1.064 120.056 119.070 -0.131 0.000 2.389 174 H HA -0.131 4.385 4.556 -0.067 0.000 0.299 174 H C 1.864 177.123 175.328 -0.115 0.000 1.081 174 H CA 2.343 58.275 56.048 -0.194 0.000 1.345 174 H CB 0.140 29.586 29.762 -0.525 0.000 1.393 174 H HN 0.709 8.989 8.280 -0.000 0.000 0.520 175 S N -0.345 115.346 115.700 -0.014 0.000 2.382 175 S HA -0.169 4.269 4.470 -0.054 0.000 0.228 175 S C 1.702 176.284 174.600 -0.030 0.000 1.027 175 S CA 1.446 59.642 58.200 -0.006 0.000 0.991 175 S CB -0.101 63.117 63.200 0.029 0.000 0.823 175 S HN 0.436 8.746 8.310 -0.000 0.000 0.469 176 D N 1.271 121.654 120.400 -0.027 0.000 2.183 176 D HA 0.037 4.645 4.640 -0.054 0.000 0.203 176 D C 1.876 178.187 176.300 0.019 0.000 0.969 176 D CA 0.648 54.653 54.000 0.009 0.000 0.842 176 D CB -0.446 40.357 40.800 0.004 0.000 0.957 176 D HN 0.371 8.741 8.370 -0.000 0.000 0.484 177 L N 1.722 122.899 121.223 -0.076 0.000 1.976 177 L HA -0.155 4.153 4.340 -0.054 0.000 0.209 177 L C 1.825 178.687 176.870 -0.013 0.000 1.071 177 L CA 1.862 56.665 54.840 -0.062 0.000 0.746 177 L CB -0.848 41.079 42.059 -0.219 0.000 0.890 177 L HN -0.057 8.173 8.230 -0.000 0.000 0.432 178 E N -0.755 119.360 120.200 -0.142 0.000 2.130 178 E HA -0.250 4.068 4.350 -0.054 0.000 0.196 178 E C 2.234 178.823 176.600 -0.019 0.000 0.998 178 E CA 1.413 57.764 56.400 -0.081 0.000 0.806 178 E CB -0.273 29.381 29.700 -0.076 0.000 0.738 178 E HN 0.644 9.004 8.360 -0.000 0.000 0.459 179 S N 0.233 115.951 115.700 0.029 0.000 2.343 179 S HA -0.203 4.234 4.470 -0.054 0.000 0.219 179 S C 1.663 176.338 174.600 0.125 0.000 1.033 179 S CA 1.275 59.514 58.200 0.065 0.000 1.014 179 S CB -0.432 62.817 63.200 0.082 0.000 0.915 179 S HN 0.526 8.836 8.310 -0.000 0.000 0.435 180 W N 1.468 122.777 121.300 0.015 0.000 2.342 180 W HA -0.060 4.561 4.660 -0.066 0.000 0.297 180 W C 2.025 178.606 176.519 0.103 0.000 1.213 180 W CA 1.443 58.827 57.345 0.065 0.000 1.251 180 W CB -0.422 29.069 29.460 0.053 0.000 1.136 180 W HN 0.154 8.334 8.180 -0.000 0.000 0.526 181 V N 0.428 120.475 119.914 0.223 0.000 3.129 181 V HA 0.121 4.209 4.120 -0.054 0.000 0.259 181 V C 1.793 177.583 176.094 -0.506 0.000 1.116 181 V CA 1.597 63.893 62.300 -0.006 0.000 1.127 181 V CB -0.579 31.274 31.823 0.050 0.000 0.742 181 V HN 0.544 8.734 8.190 -0.000 0.000 0.474 182 G N 0.184 108.752 108.800 -0.387 0.000 4.794 182 G HA2 -0.262 3.666 3.960 -0.054 0.000 0.275 182 G HA3 -0.262 3.666 3.960 -0.054 0.000 0.275 182 G C 0.428 175.104 174.900 -0.373 0.000 1.648 182 G CA 0.057 44.783 45.100 -0.624 0.000 1.154 182 G HN 0.396 8.686 8.290 -0.000 0.000 0.680 183 T N 2.557 116.857 114.554 -0.424 0.000 2.788 183 T HA 0.532 4.849 4.350 -0.054 0.000 0.287 183 T C 0.458 175.096 174.700 -0.104 0.000 1.007 183 T CA 0.296 62.273 62.100 -0.205 0.000 1.005 183 T CB 1.060 69.820 68.868 -0.179 0.000 1.012 183 T HN 0.490 8.730 8.240 -0.000 0.000 0.530 184 K N 1.607 121.986 120.400 -0.034 0.000 2.350 184 K HA 0.346 4.634 4.320 -0.054 0.000 0.279 184 K C -0.256 176.384 176.600 0.067 0.000 1.027 184 K CA -0.253 56.052 56.287 0.029 0.000 0.969 184 K CB 0.201 32.732 32.500 0.052 0.000 0.954 184 K HN 0.464 8.714 8.250 -0.000 0.000 0.474 185 V N 1.305 121.298 119.914 0.133 0.000 2.815 185 V HA 0.679 4.767 4.120 -0.054 0.000 0.314 185 V C -2.533 173.760 176.094 0.332 0.000 1.064 185 V CA -2.976 59.437 62.300 0.188 0.000 0.952 185 V CB 1.679 33.571 31.823 0.115 0.000 1.020 185 V HN 0.562 8.752 8.190 -0.000 0.000 0.439 186 P HA 0.168 4.588 4.420 -0.000 0.000 0.263 186 P C -0.758 176.685 177.300 0.238 0.000 1.195 186 P CA 0.574 63.817 63.100 0.239 0.000 0.762 186 P CB -0.152 31.668 31.700 0.201 0.000 0.799 187 H N 2.385 121.387 119.070 -0.114 0.000 2.473 187 H HA 0.493 5.018 4.556 -0.052 0.000 0.327 187 H C 0.749 175.944 175.328 -0.223 0.000 1.105 187 H CA -0.114 55.693 56.048 -0.402 0.000 1.280 187 H CB 0.552 29.959 29.762 -0.591 0.000 1.450 187 H HN 0.722 9.002 8.280 -0.000 0.000 0.492 188 G N 3.130 111.955 108.800 0.040 0.000 2.728 188 G HA2 -0.221 3.707 3.960 -0.054 0.000 0.294 188 G HA3 -0.221 3.707 3.960 -0.054 0.000 0.294 188 G C -1.073 173.747 174.900 -0.134 0.000 1.342 188 G CA -0.697 44.327 45.100 -0.127 0.000 0.866 188 G HN 0.675 8.965 8.290 -0.000 0.000 0.534 189 K N -0.266 120.036 120.400 -0.163 0.000 2.350 189 K HA 0.458 4.746 4.320 -0.054 0.000 0.279 189 K C 0.331 176.759 176.600 -0.286 0.000 1.027 189 K CA 0.098 56.265 56.287 -0.200 0.000 0.969 189 K CB 0.799 33.197 32.500 -0.169 0.000 0.954 189 K HN 0.406 8.656 8.250 -0.000 0.000 0.474 190 I N 2.256 122.534 120.570 -0.487 0.000 2.441 190 I HA 0.159 4.297 4.170 -0.054 0.000 0.295 190 I C 0.034 175.835 176.117 -0.528 0.000 0.994 190 I CA -0.860 60.094 61.300 -0.577 0.000 1.144 190 I CB 1.484 38.931 38.000 -0.922 0.000 1.314 190 I HN 0.546 8.756 8.210 -0.000 0.000 0.445 191 N N 5.949 124.486 118.700 -0.271 0.000 2.400 191 N HA 0.314 5.022 4.740 -0.054 0.000 0.288 191 N C -1.297 174.202 175.510 -0.018 0.000 1.024 191 N CA -0.128 52.852 53.050 -0.116 0.000 0.894 191 N CB 1.940 40.384 38.487 -0.071 0.000 1.173 191 N HN 0.748 9.128 8.380 -0.000 0.000 0.487 192 E N 3.341 123.619 120.200 0.130 0.000 2.428 192 E HA 0.128 4.446 4.350 -0.054 0.000 0.307 192 E C -1.379 175.446 176.600 0.373 0.000 0.902 192 E CA -0.323 56.207 56.400 0.217 0.000 0.799 192 E CB 0.370 30.231 29.700 0.269 0.000 1.351 192 E HN 0.538 8.898 8.360 -0.000 0.000 0.392 193 D N 3.340 123.907 120.400 0.277 0.000 3.017 193 D HA -0.169 4.439 4.640 -0.054 0.000 0.220 193 D C 0.624 176.997 176.300 0.122 0.000 1.141 193 D CA 1.776 55.971 54.000 0.326 0.000 0.848 193 D CB -1.161 39.978 40.800 0.565 0.000 1.102 193 D HN 1.086 9.456 8.370 -0.000 0.000 0.427 194 G N -0.769 108.029 108.800 -0.005 0.000 2.143 194 G HA2 -0.305 3.623 3.960 -0.054 0.000 0.249 194 G HA3 -0.305 3.623 3.960 -0.054 0.000 0.249 194 G C 0.021 174.692 174.900 -0.383 0.000 0.981 194 G CA 0.333 45.291 45.100 -0.237 0.000 0.665 194 G HN 0.380 8.670 8.290 -0.000 0.000 0.528 195 F N 0.795 120.778 119.950 0.055 0.000 2.495 195 F HA 0.543 5.038 4.527 -0.053 0.000 0.327 195 F C 0.038 175.878 175.800 0.066 0.000 1.103 195 F CA -1.317 56.723 58.000 0.068 0.000 0.949 195 F CB 1.740 40.792 39.000 0.085 0.000 1.142 195 F HN -0.103 8.197 8.300 -0.000 0.000 0.457 196 D N 2.858 123.387 120.400 0.215 0.000 2.344 196 D HA 0.291 4.899 4.640 -0.054 0.000 0.239 196 D C -1.130 175.288 176.300 0.196 0.000 1.064 196 D CA -0.076 53.980 54.000 0.093 0.000 0.829 196 D CB 1.987 42.812 40.800 0.042 0.000 1.129 196 D HN 0.538 8.908 8.370 -0.000 0.000 0.506 197 Y N -0.332 119.950 120.300 -0.029 0.000 2.634 197 Y HA 0.690 5.203 4.550 -0.062 0.000 0.340 197 Y C -0.761 175.000 175.900 -0.231 0.000 1.058 197 Y CA -1.181 56.821 58.100 -0.164 0.000 1.081 197 Y CB 1.648 39.917 38.460 -0.318 0.000 1.295 197 Y HN 0.173 8.453 8.280 -0.000 0.000 0.487 198 E N 0.791 120.936 120.200 -0.091 0.000 2.390 198 E HA 0.501 4.819 4.350 -0.054 0.000 0.277 198 E C -2.193 174.284 176.600 -0.205 0.000 0.939 198 E CA -0.863 55.419 56.400 -0.197 0.000 0.769 198 E CB 1.670 31.435 29.700 0.109 0.000 1.251 198 E HN 0.501 8.861 8.360 -0.000 0.000 0.450 199 F N 1.845 121.833 119.950 0.065 0.000 2.408 199 F HA 0.447 4.951 4.527 -0.038 0.000 0.344 199 F C 0.275 176.140 175.800 0.108 0.000 1.112 199 F CA -0.397 57.608 58.000 0.010 0.000 1.096 199 F CB 1.349 40.239 39.000 -0.184 0.000 1.129 199 F HN 0.336 8.636 8.300 -0.000 0.000 0.486 200 E N 2.852 123.263 120.200 0.352 0.000 2.383 200 E HA 0.503 4.821 4.350 -0.054 0.000 0.275 200 E C -1.270 175.507 176.600 0.295 0.000 0.918 200 E CA -1.023 55.550 56.400 0.289 0.000 0.764 200 E CB 3.411 33.364 29.700 0.421 0.000 1.252 200 E HN 0.572 8.932 8.360 -0.000 0.000 0.449 201 M N 2.260 121.934 119.600 0.122 0.000 2.259 201 M HA 0.452 4.899 4.480 -0.054 0.000 0.304 201 M C -2.180 174.130 176.300 0.018 0.000 1.019 201 M CA -0.527 54.840 55.300 0.111 0.000 0.922 201 M CB 1.207 33.797 32.600 -0.017 0.000 1.600 201 M HN 0.532 8.822 8.290 -0.000 0.000 0.433 202 W N 2.909 124.248 121.300 0.066 0.000 2.632 202 W HA 0.680 5.307 4.660 -0.056 0.000 0.328 202 W C -0.270 176.395 176.519 0.245 0.000 1.044 202 W CA -0.147 57.315 57.345 0.195 0.000 1.225 202 W CB 2.028 31.655 29.460 0.279 0.000 1.396 202 W HN 0.655 8.835 8.180 -0.000 0.000 0.499 203 T N -0.107 114.710 114.554 0.437 0.000 2.916 203 T HA 0.749 5.067 4.350 -0.054 0.000 0.292 203 T C -0.902 173.792 174.700 -0.009 0.000 1.064 203 T CA -1.165 61.068 62.100 0.221 0.000 1.011 203 T CB 2.558 71.441 68.868 0.025 0.000 1.152 203 T HN 0.482 8.722 8.240 -0.000 0.000 0.510 204 R N 0.378 120.674 120.500 -0.339 0.000 2.744 204 R HA 0.445 4.752 4.340 -0.054 0.000 0.279 204 R C -1.569 174.547 176.300 -0.306 0.000 0.977 204 R CA -0.637 55.081 56.100 -0.636 0.000 0.906 204 R CB 1.710 31.229 30.300 -1.301 0.000 1.197 204 R HN 0.710 8.980 8.270 -0.000 0.000 0.463 205 D N 2.932 123.192 120.400 -0.233 0.000 2.256 205 D HA 0.275 4.883 4.640 -0.054 0.000 0.250 205 D C 0.301 176.526 176.300 -0.125 0.000 1.093 205 D CA -0.128 53.795 54.000 -0.129 0.000 0.882 205 D CB 1.193 41.944 40.800 -0.083 0.000 1.185 205 D HN 0.284 8.654 8.370 -0.000 0.000 0.437 206 L N 0.000 121.176 121.223 -0.079 0.000 2.949 206 L HA 0.000 4.308 4.340 -0.054 0.000 0.249 206 L CA 0.000 54.807 54.840 -0.055 0.000 0.813 206 L CB 0.000 42.044 42.059 -0.026 0.000 0.961 206 L HN 0.000 8.230 8.230 -0.000 0.000 0.502