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 1gw2_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH SFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNSN 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.981 176.000 -0.032 0.000 1.003 1 Q CA 0.000 55.792 55.803 -0.018 0.000 1.022 1 Q CB 0.000 28.736 28.738 -0.004 0.000 1.108 2 L N 1.107 122.300 121.223 -0.051 0.000 2.417 2 L HA 0.606 4.946 4.340 0.000 0.000 0.268 2 L C 0.650 177.502 176.870 -0.031 0.000 1.158 2 L CA 0.065 54.855 54.840 -0.083 0.000 0.819 2 L CB 1.028 43.038 42.059 -0.082 0.000 1.112 2 L HN 0.621 nan 8.230 nan 0.000 0.458 3 T N 1.867 116.408 114.554 -0.020 0.000 2.952 3 T HA 0.385 4.735 4.350 0.000 0.000 0.305 3 T C -2.249 172.472 174.700 0.035 0.000 1.064 3 T CA -1.576 60.541 62.100 0.029 0.000 1.008 3 T CB 2.040 70.947 68.868 0.065 0.000 1.078 3 T HN 0.228 nan 8.240 nan 0.000 0.459 4 P HA -0.007 nan 4.420 nan 0.000 0.222 4 P C 1.158 178.483 177.300 0.042 0.000 1.147 4 P CA 1.013 64.134 63.100 0.034 0.000 0.790 4 P CB 0.050 31.772 31.700 0.037 0.000 0.780 5 T N -5.728 108.851 114.554 0.041 0.000 3.163 5 T HA 0.095 4.445 4.350 0.000 0.000 0.252 5 T C 1.322 176.023 174.700 0.001 0.000 1.056 5 T CA -0.369 61.746 62.100 0.025 0.000 0.947 5 T CB -1.282 67.590 68.868 0.007 0.000 1.016 5 T HN -0.118 nan 8.240 nan 0.000 0.554 6 F N 1.957 121.798 119.950 -0.181 0.000 2.147 6 F HA -0.098 4.429 4.527 0.000 0.000 0.301 6 F C 1.048 176.604 175.800 -0.406 0.000 1.084 6 F CA 1.217 59.006 58.000 -0.351 0.000 1.268 6 F CB -0.228 38.431 39.000 -0.568 0.000 1.009 6 F HN 0.328 nan 8.300 nan 0.000 0.486 7 Y N -1.185 119.149 120.300 0.057 0.000 2.555 7 Y HA 0.111 4.661 4.550 0.000 0.000 0.259 7 Y C 1.454 177.327 175.900 -0.044 0.000 1.179 7 Y CA -0.533 57.554 58.100 -0.021 0.000 1.230 7 Y CB -0.216 38.279 38.460 0.058 0.000 1.146 7 Y HN -0.092 nan 8.280 nan 0.000 0.526 8 D N 0.281 120.711 120.400 0.050 0.000 2.309 8 D HA -0.146 4.494 4.640 0.000 0.000 0.212 8 D C 1.083 177.385 176.300 0.003 0.000 0.968 8 D CA 1.270 55.286 54.000 0.026 0.000 0.882 8 D CB 0.032 40.834 40.800 0.003 0.000 0.918 8 D HN 0.551 nan 8.370 nan 0.000 0.503 9 N N -1.035 117.652 118.700 -0.022 0.000 2.545 9 N HA -0.048 4.692 4.740 0.000 0.000 0.190 9 N C 1.715 177.217 175.510 -0.014 0.000 1.043 9 N CA 0.499 53.530 53.050 -0.030 0.000 0.879 9 N CB 0.447 38.896 38.487 -0.063 0.000 1.210 9 N HN -0.003 nan 8.380 nan 0.000 0.437 10 S N -0.811 114.888 115.700 -0.003 0.000 2.414 10 S HA 0.043 4.513 4.470 0.000 0.000 0.227 10 S C 0.995 175.622 174.600 0.045 0.000 1.022 10 S CA 0.091 58.307 58.200 0.028 0.000 0.958 10 S CB 0.186 63.418 63.200 0.053 0.000 0.797 10 S HN 0.325 nan 8.310 nan 0.000 0.493 11 c N 2.949 121.593 118.600 0.074 0.000 3.319 11 c HA 0.445 5.015 4.570 0.000 0.000 0.258 11 c C -2.085 172.025 174.090 0.033 0.000 1.068 11 c CA -1.245 55.093 56.329 0.014 0.000 1.193 11 c CB 0.943 43.402 42.510 -0.085 0.000 1.770 11 c HN 0.350 nan 8.230 nan 0.000 0.604 12 P HA -0.073 nan 4.420 nan 0.000 0.228 12 P C 0.458 177.760 177.300 0.004 0.000 1.151 12 P CA 1.417 64.531 63.100 0.023 0.000 0.770 12 P CB 0.020 31.726 31.700 0.010 0.000 0.786 13 N N -0.942 117.751 118.700 -0.013 0.000 2.214 13 N HA 0.029 4.770 4.740 0.000 0.000 0.214 13 N C 1.520 177.004 175.510 -0.043 0.000 1.132 13 N CA -0.305 52.730 53.050 -0.026 0.000 0.856 13 N CB 0.233 38.704 38.487 -0.026 0.000 1.020 13 N HN -0.118 nan 8.380 nan 0.000 0.509 14 V N 0.229 120.109 119.914 -0.056 0.000 2.287 14 V HA -0.268 3.853 4.120 0.000 0.000 0.248 14 V C 2.243 178.291 176.094 -0.076 0.000 1.053 14 V CA 2.123 64.367 62.300 -0.094 0.000 1.027 14 V CB -0.325 31.396 31.823 -0.169 0.000 0.646 14 V HN 0.336 nan 8.190 nan 0.000 0.447 15 S N -0.017 115.648 115.700 -0.058 0.000 2.382 15 S HA -0.209 4.261 4.470 0.000 0.000 0.228 15 S C 1.816 176.376 174.600 -0.068 0.000 1.027 15 S CA 1.927 60.084 58.200 -0.071 0.000 0.991 15 S CB -0.640 62.519 63.200 -0.069 0.000 0.823 15 S HN 0.807 nan 8.310 nan 0.000 0.469 16 N N 1.066 119.734 118.700 -0.053 0.000 2.142 16 N HA -0.009 4.731 4.740 0.000 0.000 0.186 16 N C 1.841 177.324 175.510 -0.045 0.000 1.023 16 N CA 1.545 54.568 53.050 -0.045 0.000 0.852 16 N CB -0.369 38.098 38.487 -0.034 0.000 0.998 16 N HN 0.457 nan 8.380 nan 0.000 0.424 17 I N 1.018 121.559 120.570 -0.048 0.000 2.226 17 I HA -0.206 3.964 4.170 0.000 0.000 0.245 17 I C 2.267 178.355 176.117 -0.048 0.000 1.100 17 I CA 0.791 62.064 61.300 -0.045 0.000 1.374 17 I CB -0.300 37.670 38.000 -0.050 0.000 1.057 17 I HN -0.114 nan 8.210 nan 0.000 0.413 18 V N 0.912 120.791 119.914 -0.059 0.000 2.295 18 V HA -0.300 3.820 4.120 0.000 0.000 0.246 18 V C 2.653 178.712 176.094 -0.058 0.000 1.049 18 V CA 2.092 64.355 62.300 -0.062 0.000 1.024 18 V CB -0.804 30.971 31.823 -0.080 0.000 0.648 18 V HN 0.423 nan 8.190 nan 0.000 0.447 19 R N 0.197 120.660 120.500 -0.061 0.000 2.080 19 R HA -0.206 4.134 4.340 0.000 0.000 0.236 19 R C 2.079 178.356 176.300 -0.038 0.000 1.137 19 R CA 2.301 58.368 56.100 -0.054 0.000 0.943 19 R CB -0.461 29.805 30.300 -0.056 0.000 0.846 19 R HN 0.485 nan 8.270 nan 0.000 0.431 20 D N -0.387 119.993 120.400 -0.034 0.000 2.149 20 D HA -0.132 4.508 4.640 0.000 0.000 0.198 20 D C 1.787 178.074 176.300 -0.022 0.000 0.990 20 D CA 1.819 55.804 54.000 -0.025 0.000 0.839 20 D CB -0.435 40.352 40.800 -0.023 0.000 0.948 20 D HN 0.320 nan 8.370 nan 0.000 0.460 21 T N 0.745 115.284 114.554 -0.027 0.000 2.746 21 T HA -0.061 4.289 4.350 0.000 0.000 0.267 21 T C 2.201 176.888 174.700 -0.022 0.000 1.039 21 T CA 0.619 62.705 62.100 -0.023 0.000 1.142 21 T CB -0.139 68.713 68.868 -0.026 0.000 0.866 21 T HN 0.182 nan 8.240 nan 0.000 0.444 22 I N 0.714 121.268 120.570 -0.027 0.000 2.286 22 I HA -0.114 4.056 4.170 0.000 0.000 0.245 22 I C 2.469 178.577 176.117 -0.014 0.000 1.104 22 I CA 0.742 62.028 61.300 -0.024 0.000 1.397 22 I CB -0.482 37.500 38.000 -0.030 0.000 1.072 22 I HN 0.071 nan 8.210 nan 0.000 0.417 23 V N 1.499 121.405 119.914 -0.014 0.000 2.332 23 V HA -0.324 3.796 4.120 0.000 0.000 0.248 23 V C 2.271 178.363 176.094 -0.003 0.000 1.055 23 V CA 2.520 64.817 62.300 -0.006 0.000 1.038 23 V CB -0.990 30.829 31.823 -0.008 0.000 0.651 23 V HN 0.524 nan 8.190 nan 0.000 0.450 24 N N 0.343 119.039 118.700 -0.007 0.000 2.106 24 N HA -0.218 4.523 4.740 0.000 0.000 0.188 24 N C 1.806 177.314 175.510 -0.003 0.000 1.029 24 N CA 1.781 54.828 53.050 -0.004 0.000 0.848 24 N CB -0.213 38.270 38.487 -0.006 0.000 1.007 24 N HN 0.455 nan 8.380 nan 0.000 0.423 25 E N 0.337 120.533 120.200 -0.007 0.000 2.110 25 E HA -0.053 4.297 4.350 0.000 0.000 0.193 25 E C 1.898 178.495 176.600 -0.005 0.000 0.988 25 E CA 0.928 57.324 56.400 -0.007 0.000 0.804 25 E CB -0.443 29.248 29.700 -0.014 0.000 0.745 25 E HN 0.482 nan 8.360 nan 0.000 0.458 26 L N 0.093 121.315 121.223 -0.002 0.000 2.261 26 L HA -0.157 4.184 4.340 0.000 0.000 0.216 26 L C 2.480 179.356 176.870 0.009 0.000 1.114 26 L CA 1.100 55.943 54.840 0.005 0.000 0.777 26 L CB -0.258 41.809 42.059 0.014 0.000 0.910 26 L HN 0.116 nan 8.230 nan 0.000 0.440 27 R N -0.659 119.845 120.500 0.007 0.000 2.148 27 R HA -0.093 4.247 4.340 0.000 0.000 0.223 27 R C 2.356 178.660 176.300 0.008 0.000 1.088 27 R CA 1.583 57.688 56.100 0.009 0.000 0.985 27 R CB -0.127 30.177 30.300 0.007 0.000 0.880 27 R HN 0.463 nan 8.270 nan 0.000 0.451 28 S N -0.981 114.722 115.700 0.005 0.000 2.497 28 S HA 0.011 4.481 4.470 0.000 0.000 0.218 28 S C 0.167 174.769 174.600 0.004 0.000 1.023 28 S CA -0.210 57.993 58.200 0.005 0.000 0.913 28 S CB 0.586 63.788 63.200 0.004 0.000 0.800 28 S HN 0.064 nan 8.310 nan 0.000 0.505 29 D N 1.818 122.219 120.400 0.001 0.000 2.330 29 D HA 0.348 4.988 4.640 0.000 0.000 0.249 29 D C -2.371 173.927 176.300 -0.005 0.000 1.306 29 D CA -1.954 52.044 54.000 -0.004 0.000 0.956 29 D CB 1.918 42.711 40.800 -0.011 0.000 1.261 29 D HN -0.028 nan 8.370 nan 0.000 0.544 30 P HA -0.058 nan 4.420 nan 0.000 0.239 30 P C 1.038 178.336 177.300 -0.004 0.000 1.184 30 P CA 0.265 63.373 63.100 0.013 0.000 0.760 30 P CB 0.378 32.094 31.700 0.027 0.000 0.884 31 R N -0.420 120.063 120.500 -0.028 0.000 2.290 31 R HA 0.079 4.419 4.340 0.000 0.000 0.197 31 R C 2.036 178.268 176.300 -0.113 0.000 0.913 31 R CA -0.113 55.944 56.100 -0.071 0.000 1.040 31 R CB -0.486 29.785 30.300 -0.050 0.000 0.992 31 R HN -0.037 nan 8.270 nan 0.000 0.500 32 I N 1.425 121.949 120.570 -0.077 0.000 2.248 32 I HA -0.240 3.930 4.170 0.000 0.000 0.248 32 I C 1.989 178.043 176.117 -0.104 0.000 1.107 32 I CA 1.657 62.906 61.300 -0.085 0.000 1.373 32 I CB -0.292 37.676 38.000 -0.053 0.000 1.055 32 I HN 0.231 nan 8.210 nan 0.000 0.418 33 A N 0.355 123.123 122.820 -0.087 0.000 1.902 33 A HA -0.119 4.201 4.320 0.000 0.000 0.217 33 A C 2.511 179.986 177.584 -0.182 0.000 1.181 33 A CA 2.019 54.025 52.037 -0.052 0.000 0.623 33 A CB -1.353 17.692 19.000 0.075 0.000 0.818 33 A HN 0.549 nan 8.150 nan 0.000 0.443 34 A N -0.612 121.892 122.820 -0.526 0.000 1.898 34 A HA -0.043 4.277 4.320 0.000 0.000 0.216 34 A C 2.433 179.802 177.584 -0.359 0.000 1.181 34 A CA 2.000 53.487 52.037 -0.917 0.000 0.620 34 A CB -0.861 17.459 19.000 -1.133 0.000 0.819 34 A HN 0.460 nan 8.150 nan 0.000 0.442 35 S N -0.043 115.508 115.700 -0.248 0.000 2.370 35 S HA -0.123 4.347 4.470 0.000 0.000 0.226 35 S C 1.796 176.302 174.600 -0.157 0.000 1.033 35 S CA 1.522 59.614 58.200 -0.180 0.000 1.011 35 S CB -0.483 62.616 63.200 -0.168 0.000 0.852 35 S HN 0.545 nan 8.310 nan 0.000 0.457 36 I N 0.973 121.470 120.570 -0.123 0.000 2.252 36 I HA -0.158 4.012 4.170 0.000 0.000 0.245 36 I C 2.328 178.447 176.117 0.004 0.000 1.102 36 I CA 0.741 61.997 61.300 -0.074 0.000 1.385 36 I CB -0.330 37.636 38.000 -0.057 0.000 1.064 36 I HN 0.246 nan 8.210 nan 0.000 0.414 37 L N 1.143 122.393 121.223 0.046 0.000 2.012 37 L HA -0.220 4.120 4.340 0.000 0.000 0.210 37 L C 2.609 179.581 176.870 0.170 0.000 1.073 37 L CA 1.856 56.794 54.840 0.164 0.000 0.748 37 L CB -0.739 41.491 42.059 0.286 0.000 0.891 37 L HN 0.093 nan 8.230 nan 0.000 0.431 38 R N -0.700 119.839 120.500 0.065 0.000 2.120 38 R HA -0.138 4.202 4.340 0.000 0.000 0.234 38 R C 2.287 178.552 176.300 -0.059 0.000 1.123 38 R CA 1.674 57.785 56.100 0.020 0.000 0.975 38 R CB -0.311 29.922 30.300 -0.112 0.000 0.866 38 R HN 0.482 nan 8.270 nan 0.000 0.446 39 L N -0.743 120.449 121.223 -0.052 0.000 2.046 39 L HA -0.204 4.136 4.340 0.000 0.000 0.208 39 L C 2.528 179.463 176.870 0.108 0.000 1.077 39 L CA 1.560 56.388 54.840 -0.020 0.000 0.747 39 L CB -0.605 41.413 42.059 -0.069 0.000 0.896 39 L HN 0.341 nan 8.230 nan 0.000 0.432 40 H N -0.097 119.008 119.070 0.059 0.000 2.353 40 H HA -0.257 4.299 4.556 0.001 0.000 0.300 40 H C 2.014 177.440 175.328 0.163 0.000 1.090 40 H CA 1.813 57.920 56.048 0.098 0.000 1.327 40 H CB -0.258 29.559 29.762 0.091 0.000 1.383 40 H HN 0.332 nan 8.280 nan 0.000 0.508 41 F N 0.037 119.956 119.950 -0.052 0.000 2.075 41 F HA -0.227 4.300 4.527 0.000 0.000 0.297 41 F C 2.292 178.087 175.800 -0.008 0.000 1.113 41 F CA 1.857 59.788 58.000 -0.115 0.000 1.218 41 F CB -0.432 38.493 39.000 -0.125 0.000 0.984 41 F HN 0.293 nan 8.300 nan 0.000 0.472 42 H N -1.154 117.603 119.070 -0.523 0.000 2.491 42 H HA -0.163 4.393 4.556 0.000 0.000 0.290 42 H C 1.479 176.679 175.328 -0.213 0.000 1.050 42 H CA 0.802 56.529 56.048 -0.535 0.000 1.309 42 H CB -0.072 29.504 29.762 -0.310 0.000 1.392 42 H HN 0.412 nan 8.280 nan 0.000 0.554 43 D N 0.234 120.641 120.400 0.012 0.000 2.110 43 D HA -0.106 4.534 4.640 0.000 0.000 0.202 43 D C 2.133 178.425 176.300 -0.014 0.000 0.975 43 D CA 0.819 54.837 54.000 0.030 0.000 0.839 43 D CB -0.441 40.404 40.800 0.074 0.000 0.996 43 D HN 0.226 nan 8.370 nan 0.000 0.464 44 c N -0.149 118.417 118.600 -0.057 0.000 2.419 44 c HA -0.020 4.550 4.570 0.000 0.000 0.281 44 c C 2.200 176.300 174.090 0.016 0.000 1.336 44 c CA 0.071 56.376 56.329 -0.040 0.000 1.770 44 c CB -1.564 40.893 42.510 -0.089 0.000 1.929 44 c HN 0.269 nan 8.230 nan 0.000 0.509 45 F N 0.406 120.225 119.950 -0.219 0.000 2.811 45 F HA 0.175 4.702 4.527 0.000 0.000 0.301 45 F C 0.694 176.369 175.800 -0.207 0.000 1.151 45 F CA 0.610 58.472 58.000 -0.229 0.000 1.412 45 F CB 0.084 38.885 39.000 -0.333 0.000 1.113 45 F HN -0.054 nan 8.300 nan 0.000 0.579 46 V N 0.348 120.224 119.914 -0.063 0.000 2.385 46 V HA 0.226 4.347 4.120 0.000 0.000 0.277 46 V C 0.173 176.140 176.094 -0.212 0.000 1.012 46 V CA -0.958 61.272 62.300 -0.118 0.000 0.832 46 V CB 0.907 32.705 31.823 -0.042 0.000 1.028 46 V HN 0.292 nan 8.190 nan 0.000 0.436 47 N N 3.318 121.813 118.700 -0.341 0.000 2.800 47 N HA -0.148 4.592 4.740 0.000 0.000 0.250 47 N C 0.363 175.725 175.510 -0.246 0.000 1.078 47 N CA 2.000 54.781 53.050 -0.448 0.000 0.804 47 N CB -0.768 37.185 38.487 -0.890 0.000 1.135 47 N HN 1.880 nan 8.380 nan 0.000 0.565 48 G N -1.882 106.810 108.800 -0.180 0.000 2.756 48 G HA2 -0.227 3.733 3.960 0.000 0.000 0.678 48 G HA3 -0.227 3.733 3.960 0.000 0.000 0.678 48 G C 0.030 174.891 174.900 -0.065 0.000 1.349 48 G CA -0.399 44.629 45.100 -0.120 0.000 0.847 48 G HN 0.872 nan 8.290 nan 0.000 0.548 49 c N 1.365 119.941 118.600 -0.039 0.000 2.485 49 c HA 0.458 5.028 4.570 0.000 0.000 0.408 49 c C 0.993 175.102 174.090 0.031 0.000 1.034 49 c CA 0.188 56.521 56.329 0.008 0.000 1.267 49 c CB -1.447 41.093 42.510 0.051 0.000 1.703 49 c HN 0.778 nan 8.230 nan 0.000 0.530 50 D N 0.448 120.869 120.400 0.036 0.000 2.535 50 D HA 0.255 4.895 4.640 0.000 0.000 0.229 50 D C 1.120 177.460 176.300 0.066 0.000 1.238 50 D CA 0.270 54.298 54.000 0.046 0.000 0.824 50 D CB -0.211 40.617 40.800 0.046 0.000 1.045 50 D HN 0.560 nan 8.370 nan 0.000 0.500 51 A N 0.698 123.567 122.820 0.081 0.000 2.816 51 A HA -0.291 4.029 4.320 0.000 0.000 0.270 51 A C 1.880 179.511 177.584 0.079 0.000 1.413 51 A CA 1.432 53.523 52.037 0.090 0.000 0.866 51 A CB -2.588 16.459 19.000 0.079 0.000 1.032 51 A HN 0.741 nan 8.150 nan 0.000 0.642 52 S N -0.634 115.118 115.700 0.086 0.000 2.399 52 S HA -0.083 4.387 4.470 0.000 0.000 0.231 52 S C 1.721 176.354 174.600 0.055 0.000 1.022 52 S CA 1.195 59.436 58.200 0.069 0.000 0.983 52 S CB -0.524 62.794 63.200 0.198 0.000 0.803 52 S HN 1.220 nan 8.310 nan 0.000 0.480 53 I N 0.950 121.576 120.570 0.094 0.000 2.614 53 I HA -0.034 4.136 4.170 0.000 0.000 0.258 53 I C 1.648 177.819 176.117 0.091 0.000 1.189 53 I CA 1.048 62.414 61.300 0.110 0.000 1.462 53 I CB -0.059 38.045 38.000 0.174 0.000 1.092 53 I HN 0.306 nan 8.210 nan 0.000 0.442 54 L N 0.567 121.849 121.223 0.098 0.000 2.492 54 L HA 0.050 4.390 4.340 0.000 0.000 0.223 54 L C 0.763 177.614 176.870 -0.032 0.000 1.132 54 L CA -0.014 54.862 54.840 0.061 0.000 0.850 54 L CB -0.338 41.795 42.059 0.123 0.000 0.966 54 L HN 0.132 nan 8.230 nan 0.000 0.454 55 L N 0.630 121.852 121.223 -0.002 0.000 2.416 55 L HA 0.083 4.423 4.340 0.000 0.000 0.272 55 L C 0.115 176.990 176.870 0.007 0.000 1.161 55 L CA -0.065 54.796 54.840 0.035 0.000 0.845 55 L CB 0.423 42.545 42.059 0.105 0.000 1.119 55 L HN 0.052 nan 8.230 nan 0.000 0.464 56 D N 1.572 121.966 120.400 -0.009 0.000 2.423 56 D HA 0.142 4.782 4.640 0.000 0.000 0.255 56 D C 0.112 176.384 176.300 -0.046 0.000 1.174 56 D CA -0.445 53.518 54.000 -0.061 0.000 1.008 56 D CB 0.585 41.333 40.800 -0.086 0.000 1.101 56 D HN 0.362 nan 8.370 nan 0.000 0.516 57 N N -0.092 118.550 118.700 -0.098 0.000 2.395 57 N HA 0.062 4.802 4.740 0.000 0.000 0.246 57 N C -0.100 175.233 175.510 -0.295 0.000 1.246 57 N CA 0.563 53.514 53.050 -0.165 0.000 0.879 57 N CB 0.481 38.893 38.487 -0.125 0.000 1.098 57 N HN 0.409 nan 8.380 nan 0.000 0.444 58 T N -3.296 110.966 114.554 -0.488 0.000 2.864 58 T HA 0.282 4.632 4.350 0.000 0.000 0.299 58 T C 1.128 175.595 174.700 -0.389 0.000 1.166 58 T CA -0.580 61.208 62.100 -0.520 0.000 1.007 58 T CB 0.985 69.325 68.868 -0.880 0.000 1.219 58 T HN 0.425 nan 8.240 nan 0.000 0.506 59 T N -1.151 113.242 114.554 -0.269 0.000 3.072 59 T HA -0.015 4.336 4.350 0.000 0.000 0.266 59 T C 1.829 176.432 174.700 -0.162 0.000 1.127 59 T CA 1.226 63.222 62.100 -0.174 0.000 1.107 59 T CB -0.652 68.146 68.868 -0.118 0.000 0.910 59 T HN 0.796 nan 8.240 nan 0.000 0.513 60 S N 0.654 116.213 115.700 -0.235 0.000 2.475 60 S HA 0.353 4.823 4.470 0.000 0.000 0.224 60 S C 0.259 174.842 174.600 -0.028 0.000 1.042 60 S CA -0.764 57.365 58.200 -0.117 0.000 0.935 60 S CB -0.437 62.726 63.200 -0.061 0.000 0.801 60 S HN 0.712 nan 8.310 nan 0.000 0.509 61 F N 0.198 120.099 119.950 -0.082 0.000 2.601 61 F HA 0.826 5.353 4.527 0.000 0.000 0.309 61 F C -0.683 175.059 175.800 -0.098 0.000 1.089 61 F CA -1.609 56.330 58.000 -0.102 0.000 0.940 61 F CB 0.914 39.820 39.000 -0.157 0.000 1.273 61 F HN -0.304 nan 8.300 nan 0.000 0.450 62 R N 1.140 121.749 120.500 0.182 0.000 2.459 62 R HA 0.363 4.703 4.340 0.000 0.000 0.281 62 R C -0.057 176.343 176.300 0.167 0.000 1.050 62 R CA -0.626 55.527 56.100 0.088 0.000 1.055 62 R CB 1.342 31.658 30.300 0.027 0.000 1.045 62 R HN 0.939 nan 8.270 nan 0.000 0.495 63 T N 0.289 114.888 114.554 0.076 0.000 2.918 63 T HA 0.041 4.391 4.350 0.000 0.000 0.302 63 T C 1.046 175.750 174.700 0.007 0.000 1.045 63 T CA -0.143 61.990 62.100 0.055 0.000 1.114 63 T CB 0.459 69.313 68.868 -0.023 0.000 0.965 63 T HN 0.481 nan 8.240 nan 0.000 0.540 64 E N 1.997 122.198 120.200 0.003 0.000 2.418 64 E HA -0.052 4.299 4.350 0.000 0.000 0.197 64 E C 1.866 178.463 176.600 -0.004 0.000 1.026 64 E CA 0.611 57.013 56.400 0.003 0.000 0.862 64 E CB 0.155 29.873 29.700 0.031 0.000 0.799 64 E HN 0.636 nan 8.360 nan 0.000 0.518 65 K N 0.649 121.031 120.400 -0.031 0.000 2.360 65 K HA -0.115 4.205 4.320 0.000 0.000 0.201 65 K C 0.774 177.369 176.600 -0.010 0.000 1.046 65 K CA 0.797 57.070 56.287 -0.023 0.000 0.945 65 K CB 0.156 32.565 32.500 -0.151 0.000 0.750 65 K HN 0.060 nan 8.250 nan 0.000 0.464 66 D N 0.471 120.842 120.400 -0.049 0.000 2.340 66 D HA 0.082 4.722 4.640 0.000 0.000 0.217 66 D C 0.024 176.218 176.300 -0.177 0.000 1.081 66 D CA 0.100 54.049 54.000 -0.085 0.000 0.842 66 D CB 0.285 41.031 40.800 -0.090 0.000 0.934 66 D HN 0.126 nan 8.370 nan 0.000 0.511 67 A N -0.225 122.513 122.820 -0.138 0.000 2.386 67 A HA 0.204 4.525 4.320 0.000 0.000 0.248 67 A C 0.879 178.358 177.584 -0.174 0.000 1.082 67 A CA -0.340 51.575 52.037 -0.204 0.000 0.789 67 A CB 0.056 19.007 19.000 -0.082 0.000 1.025 67 A HN 0.048 nan 8.150 nan 0.000 0.490 68 F N 1.536 121.518 119.950 0.053 0.000 2.192 68 F HA -0.137 4.390 4.527 0.000 0.000 0.301 68 F C 2.405 178.237 175.800 0.054 0.000 1.079 68 F CA 1.781 59.828 58.000 0.078 0.000 1.303 68 F CB -0.297 38.761 39.000 0.097 0.000 1.024 68 F HN 0.655 nan 8.300 nan 0.000 0.494 69 G N -0.905 107.975 108.800 0.134 0.000 2.572 69 G HA2 -0.128 3.832 3.960 0.000 0.000 0.216 69 G HA3 -0.128 3.832 3.960 0.000 0.000 0.216 69 G C 1.443 176.437 174.900 0.156 0.000 1.133 69 G CA 0.531 45.657 45.100 0.042 0.000 0.791 69 G HN 0.266 nan 8.290 nan 0.000 0.538 70 N N 0.379 119.161 118.700 0.136 0.000 2.460 70 N HA 0.135 4.875 4.740 0.000 0.000 0.193 70 N C 1.185 176.800 175.510 0.176 0.000 1.080 70 N CA 0.318 53.491 53.050 0.206 0.000 0.869 70 N CB 0.165 38.777 38.487 0.208 0.000 1.201 70 N HN 0.196 nan 8.380 nan 0.000 0.457 71 A N 1.989 124.881 122.820 0.120 0.000 2.566 71 A HA 0.011 4.331 4.320 0.000 0.000 0.245 71 A C 0.788 178.463 177.584 0.152 0.000 1.056 71 A CA 0.201 52.302 52.037 0.108 0.000 0.757 71 A CB -0.551 18.483 19.000 0.056 0.000 0.979 71 A HN 0.483 nan 8.150 nan 0.000 0.508 72 N N 0.639 119.422 118.700 0.138 0.000 2.716 72 N HA -0.199 4.541 4.740 0.000 0.000 0.250 72 N C 0.290 175.903 175.510 0.171 0.000 1.033 72 N CA 1.640 54.774 53.050 0.140 0.000 0.727 72 N CB -0.920 37.643 38.487 0.128 0.000 0.950 72 N HN 0.811 nan 8.380 nan 0.000 0.541 73 S N -1.949 113.854 115.700 0.172 0.000 4.772 73 S HA 0.524 4.994 4.470 0.000 0.000 0.177 73 S C -0.005 174.663 174.600 0.113 0.000 1.117 73 S CA 0.427 58.727 58.200 0.168 0.000 1.250 73 S CB -0.549 62.768 63.200 0.195 0.000 1.749 73 S HN 0.728 nan 8.310 nan 0.000 0.589 74 A N 3.146 126.046 122.820 0.134 0.000 2.520 74 A HA 0.563 4.883 4.320 0.000 0.000 0.235 74 A C 0.340 177.904 177.584 -0.034 0.000 1.065 74 A CA 0.226 52.290 52.037 0.044 0.000 0.764 74 A CB -0.162 18.965 19.000 0.211 0.000 1.002 74 A HN 0.752 nan 8.150 nan 0.000 0.502 75 R N 0.139 120.455 120.500 -0.306 0.000 2.747 75 R HA 0.693 5.033 4.340 0.000 0.000 0.272 75 R C 0.422 176.419 176.300 -0.505 0.000 1.032 75 R CA -0.390 55.524 56.100 -0.310 0.000 0.896 75 R CB 0.503 30.742 30.300 -0.101 0.000 1.253 75 R HN 2.078 nan 8.270 nan 0.000 0.461 76 G N -0.280 108.335 108.800 -0.310 0.000 2.176 76 G HA2 -0.281 3.679 3.960 0.000 0.000 0.232 76 G HA3 -0.281 3.679 3.960 0.000 0.000 0.232 76 G C 0.370 175.155 174.900 -0.192 0.000 0.986 76 G CA 0.262 45.221 45.100 -0.236 0.000 0.643 76 G HN 0.506 nan 8.290 nan 0.000 0.522 77 F N 1.409 121.366 119.950 0.011 0.000 2.154 77 F HA -0.020 4.507 4.527 0.000 0.000 0.301 77 F C 0.631 176.436 175.800 0.009 0.000 1.087 77 F CA 1.849 59.857 58.000 0.013 0.000 1.274 77 F CB -1.094 37.916 39.000 0.018 0.000 1.009 77 F HN 0.267 nan 8.300 nan 0.000 0.485 78 P HA -0.100 nan 4.420 nan 0.000 0.219 78 P C 1.742 179.076 177.300 0.056 0.000 1.150 78 P CA 1.058 64.218 63.100 0.099 0.000 0.814 78 P CB 0.020 31.765 31.700 0.075 0.000 0.787 79 V N -0.159 119.773 119.914 0.030 0.000 2.427 79 V HA -0.194 3.926 4.120 0.000 0.000 0.248 79 V C 2.247 178.347 176.094 0.010 0.000 1.051 79 V CA 1.412 63.716 62.300 0.006 0.000 1.048 79 V CB -1.026 30.784 31.823 -0.021 0.000 0.666 79 V HN 0.053 nan 8.190 nan 0.000 0.456 80 I N 0.292 120.878 120.570 0.027 0.000 2.315 80 I HA -0.166 4.004 4.170 0.000 0.000 0.248 80 I C 2.255 178.396 176.117 0.040 0.000 1.117 80 I CA 1.463 62.784 61.300 0.036 0.000 1.404 80 I CB -1.270 36.776 38.000 0.076 0.000 1.071 80 I HN 0.347 nan 8.210 nan 0.000 0.419 81 D N 0.428 120.862 120.400 0.056 0.000 2.144 81 D HA -0.189 4.451 4.640 0.000 0.000 0.199 81 D C 2.265 178.578 176.300 0.020 0.000 0.984 81 D CA 0.896 54.921 54.000 0.041 0.000 0.834 81 D CB -0.183 40.645 40.800 0.047 0.000 0.955 81 D HN 0.319 nan 8.370 nan 0.000 0.465 82 R N 0.708 121.218 120.500 0.017 0.000 2.073 82 R HA -0.111 4.229 4.340 0.000 0.000 0.234 82 R C 2.531 178.828 176.300 -0.005 0.000 1.134 82 R CA 1.477 57.580 56.100 0.005 0.000 0.952 82 R CB -0.147 30.155 30.300 0.003 0.000 0.850 82 R HN 0.222 nan 8.270 nan 0.000 0.433 83 M N -0.295 119.299 119.600 -0.009 0.000 2.229 83 M HA -0.005 4.475 4.480 0.000 0.000 0.264 83 M C 1.988 178.273 176.300 -0.026 0.000 1.063 83 M CA 1.598 56.885 55.300 -0.022 0.000 1.114 83 M CB -0.222 32.360 32.600 -0.029 0.000 1.387 83 M HN -0.140 nan 8.290 nan 0.000 0.420 84 K N 1.696 122.088 120.400 -0.014 0.000 2.025 84 K HA 0.052 4.372 4.320 0.000 0.000 0.207 84 K C 2.069 178.658 176.600 -0.018 0.000 1.049 84 K CA 2.080 58.357 56.287 -0.017 0.000 0.933 84 K CB -0.795 31.706 32.500 0.001 0.000 0.714 84 K HN 0.391 nan 8.250 nan 0.000 0.438 85 A N 0.644 123.459 122.820 -0.009 0.000 1.908 85 A HA -0.071 4.249 4.320 0.000 0.000 0.218 85 A C 2.396 179.970 177.584 -0.017 0.000 1.181 85 A CA 2.198 54.229 52.037 -0.010 0.000 0.627 85 A CB -1.117 17.881 19.000 -0.004 0.000 0.818 85 A HN 0.467 nan 8.150 nan 0.000 0.445 86 A N -0.709 122.099 122.820 -0.020 0.000 1.898 86 A HA 0.030 4.350 4.320 0.000 0.000 0.216 86 A C 2.221 179.785 177.584 -0.035 0.000 1.181 86 A CA 1.728 53.750 52.037 -0.025 0.000 0.620 86 A CB -0.849 18.136 19.000 -0.025 0.000 0.819 86 A HN 0.388 nan 8.150 nan 0.000 0.442 87 V N 0.213 120.100 119.914 -0.045 0.000 2.358 87 V HA -0.176 3.944 4.120 0.000 0.000 0.246 87 V C 2.488 178.547 176.094 -0.057 0.000 1.047 87 V CA 1.953 64.213 62.300 -0.065 0.000 1.035 87 V CB -0.672 31.096 31.823 -0.092 0.000 0.658 87 V HN 0.486 nan 8.190 nan 0.000 0.452 88 E N -0.152 120.023 120.200 -0.042 0.000 2.204 88 E HA -0.169 4.181 4.350 0.000 0.000 0.195 88 E C 2.464 179.050 176.600 -0.024 0.000 0.990 88 E CA 1.458 57.840 56.400 -0.031 0.000 0.821 88 E CB -0.298 29.391 29.700 -0.019 0.000 0.750 88 E HN 0.545 nan 8.360 nan 0.000 0.477 89 S N -0.008 115.678 115.700 -0.024 0.000 2.371 89 S HA -0.023 4.447 4.470 0.000 0.000 0.224 89 S C 1.984 176.572 174.600 -0.021 0.000 1.029 89 S CA 1.020 59.209 58.200 -0.019 0.000 0.978 89 S CB 0.059 63.249 63.200 -0.017 0.000 0.833 89 S HN 0.292 nan 8.310 nan 0.000 0.466 90 A N -0.285 122.518 122.820 -0.028 0.000 1.929 90 A HA 0.121 4.441 4.320 0.000 0.000 0.216 90 A C 1.044 178.609 177.584 -0.031 0.000 1.176 90 A CA 1.021 53.040 52.037 -0.030 0.000 0.628 90 A CB -0.415 18.563 19.000 -0.037 0.000 0.816 90 A HN 0.615 nan 8.150 nan 0.000 0.444 91 c N -0.211 118.366 118.600 -0.039 0.000 3.123 91 c HA 0.429 5.000 4.570 0.000 0.000 0.284 91 c C -2.949 171.123 174.090 -0.030 0.000 1.076 91 c CA -1.626 54.682 56.329 -0.035 0.000 1.416 91 c CB 0.469 42.947 42.510 -0.053 0.000 1.841 91 c HN 0.236 nan 8.230 nan 0.000 0.501 92 P HA 0.119 nan 4.420 nan 0.000 0.262 92 P C 0.329 177.630 177.300 0.001 0.000 1.182 92 P CA 0.667 63.762 63.100 -0.008 0.000 0.761 92 P CB 0.277 31.975 31.700 -0.004 0.000 0.795 93 R N 0.482 120.985 120.500 0.005 0.000 3.405 93 R HA -0.188 4.152 4.340 0.000 0.000 0.258 93 R C 0.524 176.848 176.300 0.041 0.000 1.030 93 R CA 1.044 57.157 56.100 0.022 0.000 0.691 93 R CB -2.603 27.712 30.300 0.025 0.000 1.093 93 R HN 0.530 nan 8.270 nan 0.000 0.448 94 T N -1.583 112.986 114.554 0.025 0.000 3.114 94 T HA 0.138 4.488 4.350 0.000 0.000 0.240 94 T C 0.654 175.404 174.700 0.083 0.000 0.983 94 T CA 0.431 62.572 62.100 0.067 0.000 1.151 94 T CB 0.588 69.469 68.868 0.022 0.000 0.974 94 T HN 0.028 nan 8.240 nan 0.000 0.442 95 V N 4.299 124.137 119.914 -0.127 0.000 2.406 95 V HA 0.416 4.537 4.120 0.000 0.000 0.272 95 V C 0.487 176.561 176.094 -0.032 0.000 1.043 95 V CA -0.990 61.153 62.300 -0.262 0.000 0.915 95 V CB 0.883 32.406 31.823 -0.500 0.000 0.988 95 V HN 0.583 nan 8.190 nan 0.000 0.466 96 S N 3.453 119.211 115.700 0.097 0.000 2.593 96 S HA 0.075 4.545 4.470 0.000 0.000 0.269 96 S C 1.193 175.821 174.600 0.046 0.000 1.334 96 S CA -0.493 57.756 58.200 0.082 0.000 1.015 96 S CB 0.927 64.190 63.200 0.105 0.000 0.912 96 S HN 0.723 nan 8.310 nan 0.000 0.541 97 c N 1.494 120.121 118.600 0.044 0.000 2.435 97 c HA 0.035 4.606 4.570 0.000 0.000 0.279 97 c C 3.113 177.238 174.090 0.059 0.000 1.321 97 c CA 0.905 57.260 56.329 0.044 0.000 1.752 97 c CB -2.071 40.470 42.510 0.052 0.000 1.959 97 c HN 1.013 nan 8.230 nan 0.000 0.500 98 A N 0.705 123.565 122.820 0.067 0.000 1.902 98 A HA -0.203 4.117 4.320 0.000 0.000 0.217 98 A C 1.817 179.449 177.584 0.080 0.000 1.181 98 A CA 2.174 54.260 52.037 0.082 0.000 0.623 98 A CB -0.537 18.501 19.000 0.064 0.000 0.818 98 A HN 0.506 nan 8.150 nan 0.000 0.443 99 D N -0.680 119.764 120.400 0.073 0.000 2.123 99 D HA -0.078 4.562 4.640 0.000 0.000 0.200 99 D C 1.869 178.188 176.300 0.032 0.000 0.976 99 D CA 0.976 55.026 54.000 0.084 0.000 0.831 99 D CB -0.362 40.572 40.800 0.223 0.000 0.974 99 D HN 0.300 nan 8.370 nan 0.000 0.469 100 L N 0.581 121.811 121.223 0.010 0.000 2.013 100 L HA -0.156 4.184 4.340 0.000 0.000 0.212 100 L C 2.080 178.926 176.870 -0.041 0.000 1.073 100 L CA 1.370 56.190 54.840 -0.033 0.000 0.753 100 L CB -0.579 41.461 42.059 -0.031 0.000 0.890 100 L HN 0.040 nan 8.230 nan 0.000 0.432 101 L N -1.283 119.938 121.223 -0.004 0.000 2.141 101 L HA -0.137 4.203 4.340 0.000 0.000 0.209 101 L C 2.241 179.029 176.870 -0.136 0.000 1.094 101 L CA 2.189 57.028 54.840 -0.001 0.000 0.763 101 L CB -0.919 41.203 42.059 0.104 0.000 0.908 101 L HN 0.331 nan 8.230 nan 0.000 0.437 102 T N -0.241 114.197 114.554 -0.193 0.000 2.737 102 T HA -0.097 4.253 4.350 0.000 0.000 0.265 102 T C 1.951 176.417 174.700 -0.391 0.000 1.038 102 T CA 1.922 63.714 62.100 -0.514 0.000 1.144 102 T CB -0.247 68.498 68.868 -0.205 0.000 0.866 102 T HN 0.313 nan 8.240 nan 0.000 0.434 103 I N 1.522 121.957 120.570 -0.225 0.000 2.226 103 I HA -0.154 4.017 4.170 0.000 0.000 0.245 103 I C 2.926 178.911 176.117 -0.219 0.000 1.100 103 I CA 1.034 62.202 61.300 -0.220 0.000 1.374 103 I CB -0.502 37.416 38.000 -0.137 0.000 1.057 103 I HN 0.180 nan 8.210 nan 0.000 0.413 104 A N 0.795 123.515 122.820 -0.167 0.000 1.972 104 A HA -0.133 4.187 4.320 0.000 0.000 0.219 104 A C 2.523 180.029 177.584 -0.130 0.000 1.169 104 A CA 1.851 53.813 52.037 -0.126 0.000 0.635 104 A CB -0.672 18.280 19.000 -0.081 0.000 0.810 104 A HN 0.442 nan 8.150 nan 0.000 0.446 105 A N -1.180 121.537 122.820 -0.173 0.000 1.929 105 A HA -0.135 4.185 4.320 0.000 0.000 0.216 105 A C 2.195 179.702 177.584 -0.128 0.000 1.176 105 A CA 1.591 53.563 52.037 -0.108 0.000 0.628 105 A CB -0.436 18.482 19.000 -0.137 0.000 0.816 105 A HN 0.526 nan 8.150 nan 0.000 0.444 106 Q N -0.453 119.173 119.800 -0.290 0.000 2.079 106 Q HA -0.193 4.147 4.340 0.000 0.000 0.200 106 Q C 1.949 177.715 176.000 -0.390 0.000 0.974 106 Q CA 1.652 57.152 55.803 -0.505 0.000 0.840 106 Q CB -0.300 27.883 28.738 -0.925 0.000 0.898 106 Q HN 0.648 nan 8.270 nan 0.000 0.430 107 Q N 0.005 119.633 119.800 -0.287 0.000 2.119 107 Q HA -0.050 4.291 4.340 0.000 0.000 0.201 107 Q C 2.232 178.161 176.000 -0.120 0.000 0.972 107 Q CA 1.334 57.019 55.803 -0.196 0.000 0.847 107 Q CB -0.192 28.454 28.738 -0.153 0.000 0.903 107 Q HN 0.297 nan 8.270 nan 0.000 0.433 108 S N 0.529 116.180 115.700 -0.081 0.000 2.356 108 S HA -0.101 4.369 4.470 0.000 0.000 0.223 108 S C 2.217 176.832 174.600 0.024 0.000 1.032 108 S CA 1.139 59.340 58.200 0.002 0.000 1.005 108 S CB -0.247 62.977 63.200 0.040 0.000 0.867 108 S HN 0.137 nan 8.310 nan 0.000 0.449 109 V N 1.705 121.577 119.914 -0.070 0.000 2.295 109 V HA -0.193 3.927 4.120 0.000 0.000 0.246 109 V C 2.524 178.430 176.094 -0.313 0.000 1.049 109 V CA 2.148 64.257 62.300 -0.318 0.000 1.024 109 V CB -1.277 30.298 31.823 -0.413 0.000 0.648 109 V HN 0.516 nan 8.190 nan 0.000 0.447 110 T N 0.193 114.627 114.554 -0.199 0.000 2.777 110 T HA -0.097 4.253 4.350 0.000 0.000 0.266 110 T C 1.875 176.532 174.700 -0.071 0.000 1.040 110 T CA 1.347 63.361 62.100 -0.143 0.000 1.141 110 T CB -0.280 68.511 68.868 -0.129 0.000 0.868 110 T HN 0.287 nan 8.240 nan 0.000 0.444 111 L N 0.688 121.885 121.223 -0.044 0.000 2.191 111 L HA -0.009 4.331 4.340 0.000 0.000 0.212 111 L C 2.615 179.514 176.870 0.049 0.000 1.103 111 L CA 0.809 55.651 54.840 0.004 0.000 0.769 111 L CB -0.434 41.630 42.059 0.008 0.000 0.908 111 L HN 0.229 nan 8.230 nan 0.000 0.438 112 A N -0.742 122.121 122.820 0.072 0.000 2.238 112 A HA 0.323 4.643 4.320 0.000 0.000 0.208 112 A C 1.642 179.296 177.584 0.117 0.000 1.177 112 A CA 0.721 52.848 52.037 0.151 0.000 0.804 112 A CB -0.333 18.841 19.000 0.291 0.000 0.823 112 A HN 0.512 nan 8.150 nan 0.000 0.482 113 G N -2.168 106.670 108.800 0.064 0.000 2.159 113 G HA2 -0.026 3.934 3.960 0.000 0.000 0.227 113 G HA3 -0.026 3.934 3.960 0.000 0.000 0.227 113 G C 0.734 175.693 174.900 0.098 0.000 0.986 113 G CA 0.190 45.351 45.100 0.102 0.000 0.651 113 G HN 1.277 nan 8.290 nan 0.000 0.523 114 G N 0.263 108.998 108.800 -0.108 0.000 2.535 114 G HA2 0.693 4.653 3.960 0.000 0.000 0.282 114 G HA3 0.693 4.653 3.960 0.000 0.000 0.282 114 G C -1.460 173.076 174.900 -0.605 0.000 1.350 114 G CA -0.375 44.431 45.100 -0.491 0.000 1.039 114 G HN 0.295 nan 8.290 nan 0.000 0.509 115 P HA 0.175 nan 4.420 nan 0.000 0.272 115 P C -0.575 176.734 177.300 0.015 0.000 1.240 115 P CA -0.013 62.816 63.100 -0.452 0.000 0.791 115 P CB 1.362 32.733 31.700 -0.547 0.000 0.978 116 S N 1.074 116.859 115.700 0.142 0.000 2.519 116 S HA 0.738 5.208 4.470 0.000 0.000 0.309 116 S C -1.445 173.349 174.600 0.323 0.000 1.100 116 S CA -0.592 57.708 58.200 0.166 0.000 1.059 116 S CB 0.067 63.290 63.200 0.040 0.000 1.008 116 S HN 0.629 nan 8.310 nan 0.000 0.478 117 W N 3.403 124.650 121.300 -0.090 0.000 2.959 117 W HA 0.628 5.288 4.660 0.001 0.000 0.358 117 W C -1.791 174.694 176.519 -0.056 0.000 1.228 117 W CA -1.145 56.160 57.345 -0.066 0.000 1.183 117 W CB 0.599 30.016 29.460 -0.072 0.000 1.467 117 W HN 0.467 nan 8.180 nan 0.000 0.578 118 R N 2.658 123.133 120.500 -0.041 0.000 2.215 118 R HA 0.442 4.782 4.340 0.000 0.000 0.336 118 R C 0.053 176.293 176.300 -0.101 0.000 0.996 118 R CA -0.799 55.208 56.100 -0.155 0.000 0.847 118 R CB 1.360 31.644 30.300 -0.025 0.000 1.127 118 R HN 0.519 nan 8.270 nan 0.000 0.465 119 V N 1.434 121.174 119.914 -0.289 0.000 2.811 119 V HA 0.285 4.405 4.120 0.000 0.000 0.302 119 V C -2.210 173.886 176.094 0.004 0.000 1.063 119 V CA -2.011 60.245 62.300 -0.073 0.000 1.088 119 V CB 0.381 32.105 31.823 -0.164 0.000 0.982 119 V HN 0.522 nan 8.190 nan 0.000 0.485 120 P HA 0.434 nan 4.420 nan 0.000 0.271 120 P C -0.659 176.626 177.300 -0.025 0.000 1.216 120 P CA 0.095 63.205 63.100 0.018 0.000 0.776 120 P CB 0.544 32.259 31.700 0.025 0.000 0.881 121 L N 1.234 122.415 121.223 -0.070 0.000 2.283 121 L HA 0.765 5.106 4.340 0.000 0.000 0.259 121 L C 1.086 177.647 176.870 -0.514 0.000 1.027 121 L CA -0.518 54.219 54.840 -0.171 0.000 0.828 121 L CB 1.984 44.002 42.059 -0.068 0.000 1.380 121 L HN 0.632 nan 8.230 nan 0.000 0.425 122 G N 0.277 108.557 108.800 -0.867 0.000 2.234 122 G HA2 -0.129 3.832 3.960 0.000 0.000 0.153 122 G HA3 -0.129 3.832 3.960 0.000 0.000 0.153 122 G C 0.031 174.530 174.900 -0.669 0.000 1.013 122 G CA -0.692 43.496 45.100 -1.519 0.000 0.712 122 G HN 0.453 nan 8.290 nan 0.000 0.491 123 R N 0.229 120.527 120.500 -0.337 0.000 2.641 123 R HA 0.705 5.045 4.340 0.000 0.000 0.269 123 R C 0.486 176.733 176.300 -0.088 0.000 1.074 123 R CA 0.053 56.062 56.100 -0.152 0.000 1.133 123 R CB 0.653 30.919 30.300 -0.056 0.000 1.029 123 R HN 0.244 nan 8.270 nan 0.000 0.488 124 R N 0.308 120.784 120.500 -0.041 0.000 2.892 124 R HA 0.258 4.598 4.340 0.000 0.000 0.265 124 R C -1.034 175.279 176.300 0.021 0.000 1.025 124 R CA -1.002 55.101 56.100 0.005 0.000 0.982 124 R CB 1.368 31.672 30.300 0.007 0.000 1.185 124 R HN 0.516 nan 8.270 nan 0.000 0.484 125 D N 0.976 121.398 120.400 0.036 0.000 2.302 125 D HA 0.078 4.718 4.640 0.000 0.000 0.248 125 D C 0.124 176.444 176.300 0.034 0.000 1.094 125 D CA 0.018 54.041 54.000 0.039 0.000 0.897 125 D CB 1.400 42.225 40.800 0.042 0.000 1.200 125 D HN 0.480 nan 8.370 nan 0.000 0.429 126 S N 0.998 116.721 115.700 0.038 0.000 2.589 126 S HA 0.166 4.636 4.470 0.000 0.000 0.265 126 S C 0.892 175.486 174.600 -0.010 0.000 1.342 126 S CA -0.512 57.709 58.200 0.035 0.000 1.005 126 S CB 0.642 63.892 63.200 0.083 0.000 0.909 126 S HN 0.431 nan 8.310 nan 0.000 0.555 127 L N 0.980 122.182 121.223 -0.035 0.000 2.700 127 L HA 0.326 4.666 4.340 0.000 0.000 0.234 127 L C 0.679 177.439 176.870 -0.183 0.000 1.156 127 L CA -0.204 54.606 54.840 -0.050 0.000 0.946 127 L CB -0.775 41.277 42.059 -0.011 0.000 1.216 127 L HN 0.840 nan 8.230 nan 0.000 0.493 128 Q N -1.118 118.428 119.800 -0.425 0.000 2.702 128 Q HA 0.725 5.065 4.340 0.000 0.000 0.289 128 Q C -1.735 173.496 176.000 -1.282 0.000 0.923 128 Q CA -0.917 54.221 55.803 -1.107 0.000 0.787 128 Q CB 1.905 30.053 28.738 -0.984 0.000 1.476 128 Q HN -0.075 nan 8.270 nan 0.000 0.402 129 A N 0.797 122.553 122.820 -1.774 0.000 2.311 129 A HA 0.838 5.158 4.320 0.000 0.000 0.334 129 A C -1.348 175.609 177.584 -1.045 0.000 1.139 129 A CA -0.673 50.784 52.037 -0.966 0.000 0.830 129 A CB 0.641 19.394 19.000 -0.413 0.000 1.234 129 A HN 0.523 nan 8.150 nan 0.000 0.483 130 F N 2.201 122.050 119.950 -0.169 0.000 2.564 130 F HA 0.264 4.791 4.527 0.000 0.000 0.361 130 F C 0.846 176.613 175.800 -0.055 0.000 1.161 130 F CA -0.504 57.435 58.000 -0.102 0.000 1.198 130 F CB 1.084 40.028 39.000 -0.094 0.000 1.424 130 F HN 0.511 nan 8.300 nan 0.000 0.517 131 L N 1.133 122.393 121.223 0.061 0.000 1.989 131 L HA -0.150 4.190 4.340 0.000 0.000 0.211 131 L C 1.842 178.744 176.870 0.054 0.000 1.071 131 L CA 2.159 57.022 54.840 0.038 0.000 0.749 131 L CB -0.372 41.693 42.059 0.010 0.000 0.890 131 L HN 0.345 nan 8.230 nan 0.000 0.431 132 D N -0.546 119.899 120.400 0.076 0.000 2.123 132 D HA -0.200 4.440 4.640 0.000 0.000 0.196 132 D C 2.218 178.574 176.300 0.092 0.000 0.992 132 D CA 1.472 55.523 54.000 0.086 0.000 0.833 132 D CB -0.249 40.604 40.800 0.087 0.000 0.954 132 D HN 0.314 nan 8.370 nan 0.000 0.455 133 L N 0.785 122.072 121.223 0.105 0.000 2.131 133 L HA -0.066 4.274 4.340 0.000 0.000 0.210 133 L C 2.108 179.002 176.870 0.041 0.000 1.092 133 L CA 1.352 56.229 54.840 0.061 0.000 0.759 133 L CB -0.576 41.499 42.059 0.027 0.000 0.903 133 L HN -0.050 nan 8.230 nan 0.000 0.435 134 A N -0.685 122.164 122.820 0.049 0.000 1.898 134 A HA -0.172 4.148 4.320 0.000 0.000 0.216 134 A C 2.057 179.651 177.584 0.016 0.000 1.181 134 A CA 1.616 53.652 52.037 -0.002 0.000 0.620 134 A CB -0.646 18.344 19.000 -0.016 0.000 0.819 134 A HN 0.544 nan 8.150 nan 0.000 0.442 135 N N 0.366 119.112 118.700 0.075 0.000 2.309 135 N HA -0.063 4.677 4.740 0.000 0.000 0.182 135 N C 1.693 177.312 175.510 0.181 0.000 1.018 135 N CA 1.407 54.566 53.050 0.183 0.000 0.876 135 N CB -0.366 38.286 38.487 0.276 0.000 0.972 135 N HN 0.500 nan 8.380 nan 0.000 0.434 136 A N 0.520 123.421 122.820 0.134 0.000 1.943 136 A HA 0.062 4.382 4.320 0.000 0.000 0.213 136 A C 1.941 179.609 177.584 0.139 0.000 1.181 136 A CA 0.785 52.905 52.037 0.138 0.000 0.653 136 A CB -0.052 19.009 19.000 0.102 0.000 0.833 136 A HN 0.145 nan 8.150 nan 0.000 0.451 137 N N -0.089 118.668 118.700 0.094 0.000 2.336 137 N HA 0.121 4.861 4.740 0.000 0.000 0.177 137 N C 0.282 175.889 175.510 0.163 0.000 1.018 137 N CA 0.264 53.380 53.050 0.109 0.000 0.878 137 N CB -0.320 38.188 38.487 0.034 0.000 0.997 137 N HN 0.377 nan 8.380 nan 0.000 0.433 138 L N 3.576 124.814 121.223 0.024 0.000 2.477 138 L HA 0.160 4.500 4.340 0.000 0.000 0.272 138 L C -1.878 174.943 176.870 -0.081 0.000 1.157 138 L CA -1.294 53.473 54.840 -0.122 0.000 0.889 138 L CB 0.064 41.896 42.059 -0.378 0.000 1.158 138 L HN 0.015 nan 8.230 nan 0.000 0.473 139 P HA 0.195 nan 4.420 nan 0.000 0.275 139 P C -0.848 175.994 177.300 -0.763 0.000 1.228 139 P CA -0.404 62.517 63.100 -0.299 0.000 0.786 139 P CB 1.424 33.236 31.700 0.187 0.000 0.927 140 A N 4.382 126.122 122.820 -1.801 0.000 2.294 140 A HA 0.545 4.865 4.320 0.000 0.000 0.330 140 A C -1.448 175.560 177.584 -0.960 0.000 1.133 140 A CA -1.714 49.488 52.037 -1.391 0.000 0.836 140 A CB 0.305 18.113 19.000 -1.986 0.000 1.190 140 A HN 0.391 nan 8.150 nan 0.000 0.492 141 P HA -0.105 nan 4.420 nan 0.000 0.222 141 P C 0.610 177.921 177.300 0.018 0.000 1.147 141 P CA 1.175 64.180 63.100 -0.157 0.000 0.790 141 P CB -0.112 31.569 31.700 -0.033 0.000 0.780 142 F N -3.136 116.916 119.950 0.170 0.000 2.732 142 F HA 0.389 4.916 4.527 0.000 0.000 0.303 142 F C 0.741 176.771 175.800 0.383 0.000 1.110 142 F CA -1.903 56.258 58.000 0.267 0.000 1.355 142 F CB -1.523 37.609 39.000 0.221 0.000 1.081 142 F HN -0.314 nan 8.300 nan 0.000 0.565 143 F N 2.327 122.301 119.950 0.040 0.000 2.459 143 F HA 0.214 4.741 4.527 0.000 0.000 0.346 143 F C 1.533 177.427 175.800 0.156 0.000 1.128 143 F CA -0.660 57.405 58.000 0.108 0.000 1.268 143 F CB 0.941 39.961 39.000 0.034 0.000 1.161 143 F HN 0.059 nan 8.300 nan 0.000 0.583 144 T N 0.826 115.535 114.554 0.257 0.000 2.847 144 T HA 0.133 4.484 4.350 0.000 0.000 0.279 144 T C 0.843 175.634 174.700 0.151 0.000 0.984 144 T CA -0.964 61.246 62.100 0.183 0.000 0.988 144 T CB 1.251 70.183 68.868 0.107 0.000 1.040 144 T HN 0.508 nan 8.240 nan 0.000 0.528 145 L N 1.573 122.867 121.223 0.118 0.000 2.012 145 L HA 0.129 4.469 4.340 0.000 0.000 0.210 145 L C -0.882 176.025 176.870 0.061 0.000 1.073 145 L CA 1.744 56.636 54.840 0.088 0.000 0.748 145 L CB -1.745 40.351 42.059 0.062 0.000 0.891 145 L HN 0.540 nan 8.230 nan 0.000 0.431 146 P HA -0.200 nan 4.420 nan 0.000 0.215 146 P C 1.513 178.816 177.300 0.005 0.000 1.153 146 P CA 1.589 64.700 63.100 0.018 0.000 0.853 146 P CB -0.043 31.659 31.700 0.004 0.000 0.788 147 Q N -0.930 118.845 119.800 -0.040 0.000 2.079 147 Q HA -0.103 4.237 4.340 0.000 0.000 0.200 147 Q C 2.214 178.256 176.000 0.069 0.000 0.974 147 Q CA 1.111 56.812 55.803 -0.170 0.000 0.840 147 Q CB -0.699 27.681 28.738 -0.598 0.000 0.898 147 Q HN 0.277 nan 8.270 nan 0.000 0.430 148 L N 0.696 122.048 121.223 0.216 0.000 2.046 148 L HA -0.233 4.108 4.340 0.000 0.000 0.208 148 L C 2.311 179.315 176.870 0.222 0.000 1.077 148 L CA 1.391 56.420 54.840 0.315 0.000 0.747 148 L CB -0.344 41.822 42.059 0.177 0.000 0.896 148 L HN 0.155 nan 8.230 nan 0.000 0.432 149 K N -0.295 120.169 120.400 0.108 0.000 2.057 149 K HA -0.168 4.152 4.320 0.000 0.000 0.207 149 K C 1.739 178.442 176.600 0.171 0.000 1.049 149 K CA 1.464 57.807 56.287 0.094 0.000 0.931 149 K CB -0.200 32.329 32.500 0.047 0.000 0.714 149 K HN 0.242 nan 8.250 nan 0.000 0.440 150 D N 0.330 120.811 120.400 0.134 0.000 2.144 150 D HA -0.133 4.507 4.640 0.000 0.000 0.199 150 D C 1.961 178.375 176.300 0.189 0.000 0.984 150 D CA 0.986 55.056 54.000 0.116 0.000 0.834 150 D CB -0.262 40.566 40.800 0.047 0.000 0.955 150 D HN 0.009 nan 8.370 nan 0.000 0.465 151 S N -0.675 115.214 115.700 0.314 0.000 2.356 151 S HA -0.155 4.316 4.470 0.000 0.000 0.223 151 S C 1.857 176.710 174.600 0.422 0.000 1.032 151 S CA 0.815 59.275 58.200 0.434 0.000 1.005 151 S CB -0.321 63.284 63.200 0.675 0.000 0.867 151 S HN 0.070 nan 8.310 nan 0.000 0.449 152 F N 1.819 121.918 119.950 0.248 0.000 2.146 152 F HA 0.109 4.636 4.527 0.000 0.000 0.298 152 F C 2.540 178.336 175.800 -0.008 0.000 1.096 152 F CA 1.112 59.211 58.000 0.165 0.000 1.275 152 F CB -0.600 38.541 39.000 0.235 0.000 1.008 152 F HN 0.151 nan 8.300 nan 0.000 0.480 153 R N -0.215 120.411 120.500 0.211 0.000 2.096 153 R HA -0.199 4.142 4.340 0.000 0.000 0.235 153 R C 1.898 178.201 176.300 0.005 0.000 1.127 153 R CA 1.449 57.601 56.100 0.086 0.000 0.968 153 R CB -0.737 29.613 30.300 0.084 0.000 0.861 153 R HN 0.255 nan 8.270 nan 0.000 0.440 154 N N 0.705 119.408 118.700 0.006 0.000 2.205 154 N HA -0.138 4.602 4.740 0.000 0.000 0.186 154 N C 1.536 176.964 175.510 -0.137 0.000 1.015 154 N CA 1.475 54.500 53.050 -0.042 0.000 0.862 154 N CB 0.168 38.654 38.487 -0.001 0.000 0.986 154 N HN 0.172 nan 8.380 nan 0.000 0.429 155 V N -4.753 115.003 119.914 -0.263 0.000 3.608 155 V HA 0.542 4.662 4.120 0.000 0.000 0.269 155 V C 1.302 177.217 176.094 -0.298 0.000 1.245 155 V CA 0.680 62.742 62.300 -0.397 0.000 1.138 155 V CB -0.046 31.264 31.823 -0.856 0.000 0.841 155 V HN 0.322 nan 8.190 nan 0.000 0.451 156 G N 0.540 109.224 108.800 -0.193 0.000 2.227 156 G HA2 -0.133 3.827 3.960 0.000 0.000 0.168 156 G HA3 -0.133 3.827 3.960 0.000 0.000 0.168 156 G C -0.139 174.722 174.900 -0.065 0.000 1.006 156 G CA -0.102 44.927 45.100 -0.118 0.000 0.684 156 G HN 0.457 nan 8.290 nan 0.000 0.489 157 L N 1.945 123.141 121.223 -0.045 0.000 2.314 157 L HA 0.415 4.755 4.340 0.000 0.000 0.275 157 L C 0.923 177.879 176.870 0.142 0.000 1.068 157 L CA -0.874 54.012 54.840 0.076 0.000 0.894 157 L CB 0.833 42.994 42.059 0.169 0.000 1.275 157 L HN -0.029 nan 8.230 nan 0.000 0.432 158 N N 1.661 120.414 118.700 0.089 0.000 2.416 158 N HA 0.020 4.760 4.740 0.000 0.000 0.177 158 N C 0.447 176.010 175.510 0.088 0.000 1.036 158 N CA 0.479 53.579 53.050 0.082 0.000 0.901 158 N CB 0.249 38.764 38.487 0.047 0.000 0.976 158 N HN 0.475 nan 8.380 nan 0.000 0.444 159 R N 0.416 120.974 120.500 0.098 0.000 2.389 159 R HA 0.229 4.569 4.340 0.000 0.000 0.295 159 R C 0.989 177.346 176.300 0.094 0.000 1.075 159 R CA -0.113 56.038 56.100 0.087 0.000 1.005 159 R CB 0.715 31.065 30.300 0.084 0.000 0.987 159 R HN -0.036 nan 8.270 nan 0.000 0.452 160 S N 1.066 116.802 115.700 0.061 0.000 2.447 160 S HA -0.150 4.320 4.470 0.000 0.000 0.233 160 S C 1.902 176.546 174.600 0.073 0.000 1.006 160 S CA 1.577 59.801 58.200 0.039 0.000 0.957 160 S CB -0.015 63.195 63.200 0.015 0.000 0.773 160 S HN 0.793 nan 8.310 nan 0.000 0.507 161 S N 1.951 117.716 115.700 0.109 0.000 2.402 161 S HA -0.126 4.344 4.470 0.000 0.000 0.229 161 S C 1.311 176.055 174.600 0.240 0.000 1.021 161 S CA 0.959 59.276 58.200 0.195 0.000 0.974 161 S CB -0.379 62.935 63.200 0.191 0.000 0.800 161 S HN 0.375 nan 8.310 nan 0.000 0.484 162 D N 1.723 122.239 120.400 0.193 0.000 2.084 162 D HA -0.047 4.594 4.640 0.000 0.000 0.194 162 D C 1.957 178.426 176.300 0.280 0.000 0.990 162 D CA 1.128 55.275 54.000 0.246 0.000 0.826 162 D CB -0.526 40.459 40.800 0.309 0.000 0.971 162 D HN 0.379 nan 8.370 nan 0.000 0.453 163 L N 0.972 122.247 121.223 0.086 0.000 2.017 163 L HA -0.148 4.192 4.340 0.000 0.000 0.208 163 L C 2.276 179.135 176.870 -0.019 0.000 1.073 163 L CA 1.400 56.044 54.840 -0.325 0.000 0.745 163 L CB -0.490 41.215 42.059 -0.591 0.000 0.894 163 L HN -0.138 nan 8.230 nan 0.000 0.432 164 V N 0.056 120.061 119.914 0.151 0.000 2.358 164 V HA -0.233 3.887 4.120 0.000 0.000 0.246 164 V C 2.768 179.252 176.094 0.650 0.000 1.047 164 V CA 1.591 64.106 62.300 0.358 0.000 1.035 164 V CB -1.436 30.552 31.823 0.274 0.000 0.658 164 V HN 0.603 nan 8.190 nan 0.000 0.452 165 A N -0.203 123.008 122.820 0.652 0.000 1.872 165 A HA -0.072 4.248 4.320 0.000 0.000 0.214 165 A C 2.188 180.130 177.584 0.597 0.000 1.187 165 A CA 1.479 53.883 52.037 0.612 0.000 0.614 165 A CB -0.527 18.655 19.000 0.304 0.000 0.826 165 A HN 0.479 nan 8.150 nan 0.000 0.442 166 L N -0.178 121.267 121.223 0.369 0.000 2.201 166 L HA -0.122 4.218 4.340 0.000 0.000 0.212 166 L C 2.552 179.481 176.870 0.099 0.000 1.105 166 L CA 1.135 56.136 54.840 0.269 0.000 0.775 166 L CB -0.319 41.858 42.059 0.197 0.000 0.913 166 L HN 0.284 nan 8.230 nan 0.000 0.440 167 S N 0.108 115.822 115.700 0.022 0.000 2.469 167 S HA -0.092 4.378 4.470 0.000 0.000 0.238 167 S C 1.953 176.123 174.600 -0.716 0.000 0.998 167 S CA 0.938 58.947 58.200 -0.318 0.000 0.957 167 S CB -0.324 62.834 63.200 -0.072 0.000 0.764 167 S HN 0.622 nan 8.310 nan 0.000 0.514 168 G N 1.079 109.694 108.800 -0.308 0.000 2.586 168 G HA2 -0.007 3.953 3.960 0.000 0.000 0.215 168 G HA3 -0.007 3.953 3.960 0.000 0.000 0.215 168 G C 1.255 175.783 174.900 -0.620 0.000 1.128 168 G CA 0.589 45.317 45.100 -0.620 0.000 0.774 168 G HN 0.551 nan 8.290 nan 0.000 0.543 169 G N -0.441 108.171 108.800 -0.314 0.000 2.535 169 G HA2 -0.134 3.826 3.960 0.000 0.000 0.218 169 G HA3 -0.134 3.826 3.960 0.000 0.000 0.218 169 G C 1.082 175.920 174.900 -0.104 0.000 1.122 169 G CA 0.311 45.390 45.100 -0.036 0.000 0.769 169 G HN 0.684 nan 8.290 nan 0.000 0.549 170 H N -0.383 118.320 119.070 -0.612 0.000 2.567 170 H HA 0.243 4.799 4.556 0.000 0.000 0.294 170 H C 1.899 177.060 175.328 -0.278 0.000 1.050 170 H CA 0.029 55.699 56.048 -0.630 0.000 1.168 170 H CB 0.592 29.869 29.762 -0.810 0.000 1.422 170 H HN 0.348 nan 8.280 nan 0.000 0.562 171 S N 0.576 116.119 115.700 -0.262 0.000 2.562 171 S HA 0.056 4.527 4.470 0.000 0.000 0.221 171 S C 0.281 174.927 174.600 0.076 0.000 0.975 171 S CA -0.025 58.044 58.200 -0.220 0.000 0.918 171 S CB 0.024 62.827 63.200 -0.662 0.000 0.772 171 S HN 0.490 nan 8.310 nan 0.000 0.531 172 F N -3.019 116.941 119.950 0.015 0.000 2.923 172 F HA 0.675 5.202 4.527 -0.000 0.000 0.323 172 F C 0.068 175.963 175.800 0.157 0.000 1.189 172 F CA -0.771 57.293 58.000 0.106 0.000 0.930 172 F CB 0.709 39.781 39.000 0.120 0.000 1.414 172 F HN 0.141 nan 8.300 nan 0.000 0.496 173 G N 1.686 110.564 108.800 0.130 0.000 2.707 173 G HA2 0.100 4.060 3.960 0.000 0.000 0.686 173 G HA3 0.100 4.060 3.960 0.000 0.000 0.686 173 G C -2.023 173.040 174.900 0.271 0.000 1.315 173 G CA -0.986 44.144 45.100 0.051 0.000 0.832 173 G HN 0.724 nan 8.290 nan 0.000 0.573 174 K N 0.047 120.575 120.400 0.213 0.000 2.221 174 K HA 0.714 5.035 4.320 0.000 0.000 0.243 174 K C -0.156 176.507 176.600 0.105 0.000 0.968 174 K CA -1.004 55.358 56.287 0.126 0.000 0.846 174 K CB 2.118 34.652 32.500 0.058 0.000 1.141 174 K HN 0.793 nan 8.250 nan 0.000 0.434 175 N N 0.402 119.028 118.700 -0.123 0.000 2.264 175 N HA 0.113 4.853 4.740 0.000 0.000 0.288 175 N C -1.523 173.973 175.510 -0.024 0.000 1.094 175 N CA -0.395 52.566 53.050 -0.148 0.000 0.817 175 N CB 1.556 39.610 38.487 -0.721 0.000 1.604 175 N HN 0.302 nan 8.380 nan 0.000 0.473 176 Q N 1.540 121.425 119.800 0.143 0.000 2.293 176 Q HA 0.238 4.578 4.340 0.000 0.000 0.251 176 Q C 0.629 176.567 176.000 -0.103 0.000 0.930 176 Q CA -0.616 55.188 55.803 0.001 0.000 0.893 176 Q CB 1.134 29.830 28.738 -0.070 0.000 1.215 176 Q HN 0.739 nan 8.270 nan 0.000 0.425 177 c N 1.392 119.921 118.600 -0.119 0.000 2.396 177 c HA -0.208 4.362 4.570 0.000 0.000 0.277 177 c C 2.549 176.545 174.090 -0.156 0.000 1.231 177 c CA 0.956 57.222 56.329 -0.105 0.000 1.775 177 c CB -0.876 41.591 42.510 -0.071 0.000 2.036 177 c HN 0.953 nan 8.230 nan 0.000 0.484 178 R N 0.191 120.497 120.500 -0.323 0.000 2.140 178 R HA -0.205 4.135 4.340 0.000 0.000 0.250 178 R C 1.533 177.597 176.300 -0.393 0.000 1.150 178 R CA 2.070 57.899 56.100 -0.452 0.000 0.966 178 R CB -0.484 29.358 30.300 -0.764 0.000 0.869 178 R HN 0.603 nan 8.270 nan 0.000 0.445 179 F N 0.193 120.187 119.950 0.073 0.000 2.811 179 F HA 0.105 4.632 4.527 0.000 0.000 0.301 179 F C 1.571 177.429 175.800 0.098 0.000 1.151 179 F CA 0.033 58.097 58.000 0.108 0.000 1.412 179 F CB 0.209 39.268 39.000 0.098 0.000 1.113 179 F HN 0.135 nan 8.300 nan 0.000 0.579 180 I N -5.217 115.434 120.570 0.135 0.000 4.442 180 I HA 0.099 4.270 4.170 0.000 0.000 0.331 180 I C 1.626 177.781 176.117 0.064 0.000 1.364 180 I CA -0.103 61.252 61.300 0.091 0.000 1.207 180 I CB -0.059 37.938 38.000 -0.006 0.000 1.298 180 I HN -0.148 nan 8.210 nan 0.000 0.463 181 M N 2.792 122.444 119.600 0.086 0.000 2.106 181 M HA -0.194 4.286 4.480 0.000 0.000 0.259 181 M C 2.029 178.438 176.300 0.182 0.000 1.068 181 M CA 2.244 57.635 55.300 0.152 0.000 1.100 181 M CB -1.200 31.480 32.600 0.132 0.000 1.351 181 M HN 0.592 nan 8.290 nan 0.000 0.404 182 D N -0.035 120.473 120.400 0.180 0.000 2.117 182 D HA -0.201 4.439 4.640 0.000 0.000 0.197 182 D C 1.920 178.382 176.300 0.270 0.000 0.987 182 D CA 1.307 55.442 54.000 0.226 0.000 0.829 182 D CB -0.687 40.254 40.800 0.235 0.000 0.961 182 D HN 0.390 nan 8.370 nan 0.000 0.460 183 R N 0.059 120.686 120.500 0.212 0.000 2.120 183 R HA 0.044 4.384 4.340 0.000 0.000 0.234 183 R C 2.650 178.874 176.300 -0.126 0.000 1.123 183 R CA 0.825 56.932 56.100 0.012 0.000 0.975 183 R CB -0.220 30.026 30.300 -0.090 0.000 0.866 183 R HN 0.317 nan 8.270 nan 0.000 0.446 184 L N -1.493 119.601 121.223 -0.216 0.000 2.162 184 L HA -0.048 4.293 4.340 0.000 0.000 0.205 184 L C 1.308 177.743 176.870 -0.725 0.000 1.086 184 L CA 1.217 55.716 54.840 -0.569 0.000 0.778 184 L CB -0.106 41.428 42.059 -0.875 0.000 0.928 184 L HN 0.182 nan 8.230 nan 0.000 0.446 185 Y N -2.306 118.013 120.300 0.032 0.000 2.494 185 Y HA 0.239 4.789 4.550 0.000 0.000 0.271 185 Y C 0.508 176.440 175.900 0.054 0.000 1.113 185 Y CA -0.642 57.476 58.100 0.031 0.000 1.240 185 Y CB 0.589 39.057 38.460 0.014 0.000 1.268 185 Y HN 0.060 nan 8.280 nan 0.000 0.510 186 N N 0.240 119.065 118.700 0.210 0.000 2.827 186 N HA 0.099 4.839 4.740 0.000 0.000 0.240 186 N C -2.054 173.569 175.510 0.188 0.000 1.352 186 N CA -0.318 52.831 53.050 0.166 0.000 0.760 186 N CB 0.031 38.592 38.487 0.122 0.000 1.426 186 N HN 0.028 nan 8.380 nan 0.000 0.561 187 F N 2.874 122.846 119.950 0.037 0.000 2.411 187 F HA 0.396 4.923 4.527 0.000 0.000 0.350 187 F C 0.872 176.693 175.800 0.035 0.000 1.114 187 F CA 0.030 58.053 58.000 0.038 0.000 1.135 187 F CB 0.816 39.836 39.000 0.033 0.000 1.120 187 F HN 0.508 nan 8.300 nan 0.000 0.495 188 S N 4.294 119.657 115.700 -0.562 0.000 3.559 188 S HA -0.332 4.138 4.470 0.000 0.000 0.369 188 S C 0.346 174.851 174.600 -0.159 0.000 0.987 188 S CA 1.121 59.074 58.200 -0.413 0.000 1.187 188 S CB -1.966 60.938 63.200 -0.493 0.000 0.914 188 S HN 0.976 nan 8.310 nan 0.000 0.480 189 N N -1.663 116.982 118.700 -0.092 0.000 2.693 189 N HA -0.241 4.499 4.740 0.000 0.000 0.249 189 N C 0.839 176.345 175.510 -0.006 0.000 1.119 189 N CA 1.318 54.346 53.050 -0.037 0.000 0.717 189 N CB -1.618 36.841 38.487 -0.047 0.000 1.071 189 N HN 0.875 nan 8.380 nan 0.000 0.555 190 T N -4.723 109.843 114.554 0.020 0.000 3.081 190 T HA 0.324 4.674 4.350 0.000 0.000 0.255 190 T C 1.705 176.437 174.700 0.054 0.000 1.113 190 T CA 0.605 62.731 62.100 0.044 0.000 1.082 190 T CB 0.373 69.290 68.868 0.081 0.000 0.939 190 T HN 0.768 nan 8.240 nan 0.000 0.506 191 G N 1.093 109.930 108.800 0.061 0.000 2.162 191 G HA2 -0.204 3.757 3.960 0.000 0.000 0.260 191 G HA3 -0.204 3.757 3.960 0.000 0.000 0.260 191 G C -0.127 174.821 174.900 0.080 0.000 0.976 191 G CA 0.523 45.662 45.100 0.064 0.000 0.655 191 G HN 0.645 nan 8.290 nan 0.000 0.533 192 L N 0.499 121.779 121.223 0.095 0.000 2.327 192 L HA 0.619 4.960 4.340 0.000 0.000 0.258 192 L C -2.022 174.910 176.870 0.103 0.000 1.024 192 L CA -2.696 52.197 54.840 0.087 0.000 0.825 192 L CB 2.485 44.587 42.059 0.071 0.000 1.386 192 L HN -0.129 nan 8.230 nan 0.000 0.417 193 P HA 0.009 nan 4.420 nan 0.000 0.274 193 P C -1.163 176.120 177.300 -0.029 0.000 1.246 193 P CA -0.300 62.791 63.100 -0.014 0.000 0.795 193 P CB 0.655 32.298 31.700 -0.094 0.000 1.006 194 D N 1.867 122.152 120.400 -0.192 0.000 2.434 194 D HA 0.002 4.643 4.640 0.000 0.000 0.252 194 D C -1.061 175.102 176.300 -0.229 0.000 1.185 194 D CA -1.803 51.917 54.000 -0.466 0.000 0.886 194 D CB 0.344 40.568 40.800 -0.960 0.000 1.148 194 D HN 0.200 nan 8.370 nan 0.000 0.483 195 P HA -0.106 nan 4.420 nan 0.000 0.226 195 P C 0.834 178.098 177.300 -0.061 0.000 1.153 195 P CA 0.870 63.936 63.100 -0.057 0.000 0.777 195 P CB -0.055 31.642 31.700 -0.005 0.000 0.794 196 T N -3.341 111.153 114.554 -0.101 0.000 3.169 196 T HA 0.165 4.515 4.350 0.000 0.000 0.250 196 T C 0.535 175.205 174.700 -0.051 0.000 1.111 196 T CA -0.344 61.724 62.100 -0.054 0.000 1.010 196 T CB -0.541 68.303 68.868 -0.040 0.000 0.984 196 T HN -0.090 nan 8.240 nan 0.000 0.537 197 L N 3.007 124.182 121.223 -0.080 0.000 2.265 197 L HA 0.441 4.781 4.340 0.000 0.000 0.289 197 L C -0.100 176.765 176.870 -0.009 0.000 1.033 197 L CA -1.032 53.782 54.840 -0.044 0.000 0.814 197 L CB 0.859 42.858 42.059 -0.099 0.000 1.203 197 L HN 0.152 nan 8.230 nan 0.000 0.423 198 N N 2.540 121.261 118.700 0.035 0.000 2.294 198 N HA -0.147 4.594 4.740 0.000 0.000 0.263 198 N C 0.969 176.502 175.510 0.038 0.000 1.281 198 N CA 0.955 54.027 53.050 0.036 0.000 0.846 198 N CB 1.027 39.537 38.487 0.039 0.000 1.061 198 N HN 0.895 nan 8.380 nan 0.000 0.478 199 T N 0.859 115.420 114.554 0.010 0.000 2.759 199 T HA -0.156 4.195 4.350 0.000 0.000 0.269 199 T C 1.706 176.413 174.700 0.010 0.000 1.042 199 T CA 1.873 63.971 62.100 -0.002 0.000 1.140 199 T CB -0.439 68.425 68.868 -0.005 0.000 0.864 199 T HN 0.528 nan 8.240 nan 0.000 0.455 200 T N 0.580 115.153 114.554 0.032 0.000 2.777 200 T HA -0.013 4.337 4.350 0.000 0.000 0.266 200 T C 1.505 176.260 174.700 0.093 0.000 1.040 200 T CA 1.096 63.222 62.100 0.043 0.000 1.141 200 T CB -0.531 68.358 68.868 0.036 0.000 0.868 200 T HN 0.452 nan 8.240 nan 0.000 0.444 201 Y N 1.797 122.066 120.300 -0.053 0.000 2.293 201 Y HA 0.043 4.593 4.550 0.000 0.000 0.291 201 Y C 2.053 177.911 175.900 -0.070 0.000 1.137 201 Y CA 0.049 58.113 58.100 -0.059 0.000 1.202 201 Y CB -0.736 37.684 38.460 -0.067 0.000 0.990 201 Y HN 0.101 nan 8.280 nan 0.000 0.537 202 L N 0.493 121.677 121.223 -0.065 0.000 2.013 202 L HA -0.271 4.069 4.340 0.000 0.000 0.212 202 L C 2.173 178.939 176.870 -0.173 0.000 1.073 202 L CA 2.043 56.778 54.840 -0.175 0.000 0.753 202 L CB -0.928 41.058 42.059 -0.121 0.000 0.890 202 L HN 0.189 nan 8.230 nan 0.000 0.432 203 Q N -0.705 119.042 119.800 -0.090 0.000 2.084 203 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 203 Q C 2.190 178.148 176.000 -0.071 0.000 0.978 203 Q CA 2.283 58.049 55.803 -0.062 0.000 0.844 203 Q CB -0.955 27.770 28.738 -0.021 0.000 0.898 203 Q HN 0.593 nan 8.270 nan 0.000 0.426 204 T N 2.111 116.623 114.554 -0.070 0.000 2.684 204 T HA -0.100 4.250 4.350 0.000 0.000 0.267 204 T C 2.110 176.721 174.700 -0.147 0.000 1.036 204 T CA 0.992 63.053 62.100 -0.066 0.000 1.148 204 T CB -0.292 68.585 68.868 0.016 0.000 0.863 204 T HN 0.165 nan 8.240 nan 0.000 0.436 205 L N 0.244 121.286 121.223 -0.300 0.000 2.083 205 L HA -0.057 4.283 4.340 0.000 0.000 0.209 205 L C 2.870 179.633 176.870 -0.177 0.000 1.083 205 L CA 1.265 55.917 54.840 -0.315 0.000 0.752 205 L CB -0.460 41.308 42.059 -0.485 0.000 0.899 205 L HN 0.153 nan 8.230 nan 0.000 0.433 206 R N -0.207 120.200 120.500 -0.154 0.000 2.120 206 R HA -0.098 4.242 4.340 0.000 0.000 0.234 206 R C 2.339 178.661 176.300 0.036 0.000 1.123 206 R CA 1.124 57.200 56.100 -0.039 0.000 0.975 206 R CB -0.512 29.765 30.300 -0.039 0.000 0.866 206 R HN 0.430 nan 8.270 nan 0.000 0.446 207 G N 0.596 109.390 108.800 -0.011 0.000 2.403 207 G HA2 -0.170 3.790 3.960 0.000 0.000 0.216 207 G HA3 -0.170 3.790 3.960 0.000 0.000 0.216 207 G C 1.372 176.269 174.900 -0.004 0.000 1.154 207 G CA 0.233 45.334 45.100 0.001 0.000 0.784 207 G HN 0.130 nan 8.290 nan 0.000 0.538 208 L N -0.264 120.943 121.223 -0.026 0.000 2.179 208 L HA 0.118 4.459 4.340 0.000 0.000 0.208 208 L C 0.684 177.544 176.870 -0.017 0.000 1.096 208 L CA 0.234 55.057 54.840 -0.028 0.000 0.779 208 L CB 0.108 42.135 42.059 -0.053 0.000 0.922 208 L HN 0.133 nan 8.230 nan 0.000 0.443 209 c N 0.993 119.592 118.600 -0.001 0.000 3.075 209 c HA 0.343 4.913 4.570 0.000 0.000 0.262 209 c C -1.997 172.175 174.090 0.138 0.000 1.371 209 c CA -1.641 54.711 56.329 0.038 0.000 1.594 209 c CB -0.501 42.020 42.510 0.018 0.000 1.849 209 c HN 0.128 nan 8.230 nan 0.000 0.475 210 P HA 0.066 nan 4.420 nan 0.000 0.270 210 P C -0.168 177.088 177.300 -0.074 0.000 1.223 210 P CA -0.096 63.042 63.100 0.062 0.000 0.785 210 P CB 0.949 32.651 31.700 0.003 0.000 0.923 211 L N 3.176 124.176 121.223 -0.372 0.000 2.490 211 L HA 0.064 4.404 4.340 0.000 0.000 0.274 211 L C 1.003 177.727 176.870 -0.244 0.000 1.201 211 L CA 0.887 55.399 54.840 -0.546 0.000 0.869 211 L CB -1.071 40.500 42.059 -0.813 0.000 1.123 211 L HN 0.468 nan 8.230 nan 0.000 0.484 212 N N 2.004 120.600 118.700 -0.174 0.000 2.782 212 N HA -0.162 4.578 4.740 0.000 0.000 0.251 212 N C 0.227 175.692 175.510 -0.075 0.000 1.101 212 N CA 1.004 53.991 53.050 -0.106 0.000 0.764 212 N CB -1.560 36.867 38.487 -0.101 0.000 1.122 212 N HN 0.857 nan 8.380 nan 0.000 0.561 213 G N 0.180 108.939 108.800 -0.068 0.000 2.583 213 G HA2 0.291 4.251 3.960 0.000 0.000 0.280 213 G HA3 0.291 4.251 3.960 0.000 0.000 0.280 213 G C -0.010 174.867 174.900 -0.038 0.000 1.376 213 G CA -0.488 44.585 45.100 -0.044 0.000 1.043 213 G HN 0.310 nan 8.290 nan 0.000 0.538 214 N N 0.094 118.776 118.700 -0.031 0.000 2.416 214 N HA 0.038 4.779 4.740 0.000 0.000 0.271 214 N C 1.328 176.811 175.510 -0.044 0.000 1.245 214 N CA -0.405 52.626 53.050 -0.032 0.000 0.940 214 N CB 0.235 38.708 38.487 -0.024 0.000 1.175 214 N HN 0.314 nan 8.380 nan 0.000 0.483 215 L N 2.347 123.535 121.223 -0.058 0.000 2.376 215 L HA -0.051 4.289 4.340 0.000 0.000 0.219 215 L C 1.698 178.498 176.870 -0.117 0.000 1.133 215 L CA 0.516 55.298 54.840 -0.096 0.000 0.816 215 L CB -0.045 41.947 42.059 -0.111 0.000 0.933 215 L HN 0.529 nan 8.230 nan 0.000 0.449 216 S N -0.144 115.514 115.700 -0.070 0.000 2.575 216 S HA 0.242 4.712 4.470 0.000 0.000 0.215 216 S C 1.061 175.643 174.600 -0.030 0.000 0.966 216 S CA -0.103 58.069 58.200 -0.048 0.000 0.911 216 S CB 0.000 63.191 63.200 -0.015 0.000 0.780 216 S HN 0.357 nan 8.310 nan 0.000 0.514 217 A N 1.617 124.415 122.820 -0.036 0.000 2.520 217 A HA 0.403 4.723 4.320 0.000 0.000 0.235 217 A C -0.000 177.568 177.584 -0.027 0.000 1.065 217 A CA 0.103 52.125 52.037 -0.025 0.000 0.764 217 A CB -0.004 18.980 19.000 -0.027 0.000 1.002 217 A HN 0.464 nan 8.150 nan 0.000 0.502 218 L N 2.296 123.509 121.223 -0.016 0.000 2.325 218 L HA 0.575 4.915 4.340 0.000 0.000 0.279 218 L C -0.472 176.379 176.870 -0.032 0.000 1.054 218 L CA -0.668 54.162 54.840 -0.016 0.000 0.804 218 L CB 1.508 43.570 42.059 0.004 0.000 1.200 218 L HN 0.432 nan 8.230 nan 0.000 0.436 219 V N 1.014 120.891 119.914 -0.062 0.000 2.823 219 V HA 0.309 4.430 4.120 0.000 0.000 0.312 219 V C -0.619 175.418 176.094 -0.094 0.000 1.072 219 V CA -0.971 61.282 62.300 -0.078 0.000 0.937 219 V CB 2.370 34.121 31.823 -0.120 0.000 1.013 219 V HN 0.627 nan 8.190 nan 0.000 0.430 220 D N 1.893 122.278 120.400 -0.025 0.000 2.382 220 D HA 0.197 4.837 4.640 0.000 0.000 0.245 220 D C 0.594 176.904 176.300 0.016 0.000 1.120 220 D CA 0.121 54.143 54.000 0.036 0.000 0.890 220 D CB 1.381 42.234 40.800 0.090 0.000 1.201 220 D HN 0.429 nan 8.370 nan 0.000 0.433 221 F N 0.195 120.188 119.950 0.071 0.000 2.206 221 F HA -0.133 4.394 4.527 0.000 0.000 0.298 221 F C 1.351 177.221 175.800 0.117 0.000 1.090 221 F CA 0.781 58.824 58.000 0.071 0.000 1.323 221 F CB 0.379 39.407 39.000 0.047 0.000 1.028 221 F HN 0.184 nan 8.300 nan 0.000 0.492 222 D N 0.248 120.820 120.400 0.288 0.000 2.440 222 D HA 0.147 4.788 4.640 0.000 0.000 0.239 222 D C 0.864 177.218 176.300 0.090 0.000 1.084 222 D CA -0.274 53.824 54.000 0.163 0.000 0.843 222 D CB 1.048 41.936 40.800 0.148 0.000 1.097 222 D HN 0.227 nan 8.370 nan 0.000 0.531 223 L N 1.942 123.178 121.223 0.023 0.000 2.362 223 L HA 0.125 4.466 4.340 0.000 0.000 0.219 223 L C 1.753 178.611 176.870 -0.020 0.000 1.134 223 L CA 0.372 55.215 54.840 0.005 0.000 0.807 223 L CB 0.054 42.057 42.059 -0.093 0.000 0.927 223 L HN 0.134 nan 8.230 nan 0.000 0.447 224 R N 1.008 121.484 120.500 -0.040 0.000 2.052 224 R HA 0.051 4.391 4.340 0.000 0.000 0.224 224 R C 0.463 176.765 176.300 0.004 0.000 1.165 224 R CA 1.574 57.653 56.100 -0.035 0.000 0.939 224 R CB -0.278 29.986 30.300 -0.060 0.000 0.834 224 R HN 0.519 nan 8.270 nan 0.000 0.435 225 T N -1.401 113.166 114.554 0.022 0.000 3.241 225 T HA 0.306 4.657 4.350 0.000 0.000 0.387 225 T C -2.469 172.286 174.700 0.092 0.000 1.451 225 T CA -1.836 60.293 62.100 0.049 0.000 1.363 225 T CB 1.607 70.499 68.868 0.040 0.000 1.074 225 T HN -0.132 nan 8.240 nan 0.000 0.598 226 P HA -0.154 nan 4.420 nan 0.000 0.217 226 P C 1.487 178.913 177.300 0.209 0.000 1.148 226 P CA 1.474 64.663 63.100 0.149 0.000 0.834 226 P CB 0.061 31.827 31.700 0.110 0.000 0.783 227 T N -6.070 108.601 114.554 0.195 0.000 3.043 227 T HA 0.293 4.643 4.350 0.000 0.000 0.272 227 T C 0.418 175.295 174.700 0.296 0.000 0.990 227 T CA -0.208 62.047 62.100 0.258 0.000 0.897 227 T CB -0.348 68.621 68.868 0.168 0.000 1.111 227 T HN -0.090 nan 8.240 nan 0.000 0.529 228 I N 1.928 122.620 120.570 0.204 0.000 2.354 228 I HA 0.427 4.597 4.170 0.000 0.000 0.292 228 I C -0.754 175.400 176.117 0.061 0.000 0.989 228 I CA -1.319 60.072 61.300 0.151 0.000 1.188 228 I CB 1.564 39.629 38.000 0.109 0.000 1.342 228 I HN 0.136 nan 8.210 nan 0.000 0.457 229 F N 7.762 127.616 119.950 -0.160 0.000 2.434 229 F HA 0.207 4.734 4.527 0.000 0.000 0.358 229 F C -0.099 175.705 175.800 0.006 0.000 1.136 229 F CA 0.066 57.856 58.000 -0.351 0.000 1.157 229 F CB -0.070 38.577 39.000 -0.588 0.000 1.167 229 F HN 0.558 nan 8.300 nan 0.000 0.539 230 D N 2.671 122.960 120.400 -0.185 0.000 2.759 230 D HA 0.120 4.760 4.640 0.000 0.000 0.321 230 D C -0.238 176.030 176.300 -0.053 0.000 1.267 230 D CA -0.782 53.282 54.000 0.107 0.000 0.933 230 D CB 0.130 40.974 40.800 0.074 0.000 1.431 230 D HN 0.276 nan 8.370 nan 0.000 0.504 231 N N -0.322 118.371 118.700 -0.012 0.000 2.449 231 N HA -0.056 4.684 4.740 0.000 0.000 0.191 231 N C 0.493 175.962 175.510 -0.067 0.000 1.161 231 N CA 0.103 53.055 53.050 -0.164 0.000 0.863 231 N CB -0.101 38.340 38.487 -0.077 0.000 0.980 231 N HN 0.384 nan 8.380 nan 0.000 0.458 232 K N -0.146 120.200 120.400 -0.089 0.000 2.209 232 K HA -0.183 4.137 4.320 0.000 0.000 0.204 232 K C 1.388 177.909 176.600 -0.132 0.000 1.048 232 K CA 0.963 57.197 56.287 -0.089 0.000 0.940 232 K CB -0.374 32.083 32.500 -0.070 0.000 0.729 232 K HN 0.301 nan 8.250 nan 0.000 0.451 233 Y N 0.619 120.722 120.300 -0.327 0.000 2.193 233 Y HA -0.322 4.228 4.550 0.000 0.000 0.285 233 Y C 1.555 177.164 175.900 -0.485 0.000 1.166 233 Y CA 1.595 59.435 58.100 -0.432 0.000 1.181 233 Y CB -0.250 37.826 38.460 -0.640 0.000 0.976 233 Y HN 0.023 nan 8.280 nan 0.000 0.520 234 Y N -1.431 118.682 120.300 -0.312 0.000 2.337 234 Y HA -0.100 4.450 4.550 0.000 0.000 0.293 234 Y C 2.442 178.121 175.900 -0.367 0.000 1.123 234 Y CA 1.088 58.972 58.100 -0.360 0.000 1.201 234 Y CB -0.564 37.789 38.460 -0.180 0.000 1.011 234 Y HN -0.036 nan 8.280 nan 0.000 0.545 235 V N 0.553 120.369 119.914 -0.164 0.000 2.407 235 V HA -0.283 3.837 4.120 0.000 0.000 0.248 235 V C 1.778 177.700 176.094 -0.286 0.000 1.055 235 V CA 1.834 64.015 62.300 -0.198 0.000 1.049 235 V CB -0.532 31.205 31.823 -0.144 0.000 0.662 235 V HN 0.474 nan 8.190 nan 0.000 0.455 236 N N 0.548 119.052 118.700 -0.326 0.000 2.120 236 N HA -0.108 4.632 4.740 0.000 0.000 0.188 236 N C 1.811 177.083 175.510 -0.397 0.000 1.024 236 N CA 1.359 54.196 53.050 -0.356 0.000 0.852 236 N CB -0.496 37.774 38.487 -0.362 0.000 1.003 236 N HN 0.394 nan 8.380 nan 0.000 0.424 237 L N 1.317 122.244 121.223 -0.492 0.000 2.042 237 L HA -0.136 4.204 4.340 0.000 0.000 0.210 237 L C 1.999 178.439 176.870 -0.717 0.000 1.076 237 L CA 1.242 55.785 54.840 -0.495 0.000 0.749 237 L CB -0.527 41.241 42.059 -0.486 0.000 0.893 237 L HN 0.217 nan 8.230 nan 0.000 0.432 238 E N 0.295 119.987 120.200 -0.848 0.000 2.204 238 E HA -0.199 4.151 4.350 0.000 0.000 0.195 238 E C 1.249 177.543 176.600 -0.510 0.000 0.990 238 E CA 0.955 56.725 56.400 -1.049 0.000 0.821 238 E CB -0.015 29.325 29.700 -0.601 0.000 0.750 238 E HN 0.599 nan 8.360 nan 0.000 0.477 239 E N 0.342 120.331 120.200 -0.352 0.000 2.465 239 E HA 0.043 4.393 4.350 0.000 0.000 0.195 239 E C -0.382 176.127 176.600 -0.153 0.000 1.028 239 E CA -0.121 56.157 56.400 -0.204 0.000 0.899 239 E CB 0.385 29.967 29.700 -0.197 0.000 1.032 239 E HN 0.150 nan 8.360 nan 0.000 0.468 240 Q N 0.188 119.894 119.800 -0.158 0.000 2.487 240 Q HA -0.224 4.117 4.340 0.000 0.000 0.279 240 Q C -0.076 175.885 176.000 -0.065 0.000 1.228 240 Q CA 0.691 56.455 55.803 -0.065 0.000 0.873 240 Q CB -1.262 27.476 28.738 -0.002 0.000 1.260 240 Q HN 0.222 nan 8.270 nan 0.000 0.471 241 K N -0.097 120.207 120.400 -0.160 0.000 2.593 241 K HA 0.232 4.552 4.320 0.000 0.000 0.208 241 K C 0.687 177.217 176.600 -0.116 0.000 1.051 241 K CA 0.266 56.432 56.287 -0.200 0.000 1.111 241 K CB 0.947 33.130 32.500 -0.528 0.000 0.849 241 K HN 0.255 nan 8.250 nan 0.000 0.479 242 G N 1.022 109.781 108.800 -0.069 0.000 2.442 242 G HA2 0.067 4.028 3.960 0.000 0.000 0.249 242 G HA3 0.067 4.028 3.960 0.000 0.000 0.249 242 G C 0.723 175.697 174.900 0.123 0.000 1.263 242 G CA -0.469 44.611 45.100 -0.033 0.000 0.846 242 G HN 0.126 nan 8.290 nan 0.000 0.555 243 L N 3.212 124.540 121.223 0.174 0.000 1.973 243 L HA 0.199 4.539 4.340 0.000 0.000 0.208 243 L C 1.595 178.499 176.870 0.056 0.000 1.073 243 L CA 1.331 56.238 54.840 0.112 0.000 0.746 243 L CB -0.543 41.500 42.059 -0.027 0.000 0.891 243 L HN 0.650 nan 8.230 nan 0.000 0.433 244 I N -3.010 117.632 120.570 0.121 0.000 2.783 244 I HA 0.197 4.367 4.170 0.000 0.000 0.312 244 I C 1.319 177.536 176.117 0.166 0.000 0.988 244 I CA -0.542 60.844 61.300 0.142 0.000 1.182 244 I CB 0.886 39.000 38.000 0.190 0.000 1.368 244 I HN 0.365 nan 8.210 nan 0.000 0.511 245 Q N 2.386 122.296 119.800 0.182 0.000 2.096 245 Q HA -0.240 4.101 4.340 0.000 0.000 0.208 245 Q C 2.008 178.133 176.000 0.208 0.000 0.993 245 Q CA 3.323 59.245 55.803 0.198 0.000 0.862 245 Q CB -0.095 28.848 28.738 0.341 0.000 0.915 245 Q HN 0.965 nan 8.270 nan 0.000 0.416 246 S N 0.042 115.877 115.700 0.225 0.000 2.440 246 S HA -0.175 4.295 4.470 0.000 0.000 0.238 246 S C 1.226 175.961 174.600 0.224 0.000 1.010 246 S CA 1.314 59.645 58.200 0.218 0.000 0.972 246 S CB -0.222 63.097 63.200 0.199 0.000 0.774 246 S HN 0.415 nan 8.310 nan 0.000 0.501 247 D N 1.359 121.914 120.400 0.259 0.000 2.106 247 D HA -0.034 4.606 4.640 0.000 0.000 0.203 247 D C 2.150 178.535 176.300 0.142 0.000 0.977 247 D CA 1.219 55.384 54.000 0.276 0.000 0.844 247 D CB -0.621 40.378 40.800 0.332 0.000 1.002 247 D HN 0.360 nan 8.370 nan 0.000 0.461 248 Q N 1.178 121.043 119.800 0.107 0.000 2.226 248 Q HA -0.132 4.209 4.340 0.000 0.000 0.204 248 Q C 1.645 177.721 176.000 0.126 0.000 0.975 248 Q CA 1.236 57.089 55.803 0.083 0.000 0.866 248 Q CB -0.120 28.649 28.738 0.051 0.000 0.915 248 Q HN 0.359 nan 8.270 nan 0.000 0.440 249 E N -0.396 119.882 120.200 0.130 0.000 2.204 249 E HA -0.156 4.194 4.350 0.000 0.000 0.195 249 E C 1.755 178.422 176.600 0.112 0.000 0.990 249 E CA 0.880 57.353 56.400 0.122 0.000 0.821 249 E CB -0.176 29.607 29.700 0.138 0.000 0.750 249 E HN 0.393 nan 8.360 nan 0.000 0.477 250 L N -0.344 120.959 121.223 0.134 0.000 2.261 250 L HA -0.160 4.180 4.340 0.000 0.000 0.216 250 L C 2.007 178.979 176.870 0.169 0.000 1.114 250 L CA 0.928 55.848 54.840 0.134 0.000 0.777 250 L CB -0.155 42.004 42.059 0.167 0.000 0.910 250 L HN 0.153 nan 8.230 nan 0.000 0.440 251 F N -1.893 118.058 119.950 0.001 0.000 2.747 251 F HA 0.117 4.644 4.527 0.000 0.000 0.305 251 F C 2.073 177.863 175.800 -0.016 0.000 1.065 251 F CA 0.223 58.212 58.000 -0.018 0.000 1.230 251 F CB 0.455 39.431 39.000 -0.039 0.000 1.027 251 F HN -0.204 nan 8.300 nan 0.000 0.607 252 S N -0.875 114.861 115.700 0.061 0.000 2.505 252 S HA 0.104 4.574 4.470 0.000 0.000 0.216 252 S C 0.731 175.317 174.600 -0.024 0.000 1.018 252 S CA 0.151 58.344 58.200 -0.011 0.000 0.911 252 S CB -0.040 63.207 63.200 0.078 0.000 0.818 252 S HN 0.221 nan 8.310 nan 0.000 0.497 253 S N 2.499 118.202 115.700 0.006 0.000 2.568 253 S HA 0.129 4.599 4.470 0.000 0.000 0.282 253 S C -1.936 172.653 174.600 -0.018 0.000 1.338 253 S CA -1.090 57.121 58.200 0.018 0.000 1.045 253 S CB 0.712 63.936 63.200 0.041 0.000 0.873 253 S HN -0.003 nan 8.310 nan 0.000 0.516 254 P HA -0.004 nan 4.420 nan 0.000 0.226 254 P C 0.662 177.950 177.300 -0.020 0.000 1.153 254 P CA 0.703 63.794 63.100 -0.016 0.000 0.777 254 P CB -0.002 31.699 31.700 0.001 0.000 0.794 255 N N -0.494 118.200 118.700 -0.010 0.000 2.235 255 N HA 0.093 4.834 4.740 0.000 0.000 0.209 255 N C 0.675 176.174 175.510 -0.019 0.000 1.122 255 N CA -0.060 52.984 53.050 -0.010 0.000 0.845 255 N CB 0.202 38.692 38.487 0.005 0.000 1.004 255 N HN -0.076 nan 8.380 nan 0.000 0.499 256 A N -0.134 122.664 122.820 -0.037 0.000 2.327 256 A HA 0.124 4.444 4.320 0.000 0.000 0.228 256 A C 1.628 179.166 177.584 -0.076 0.000 1.275 256 A CA 0.049 52.055 52.037 -0.051 0.000 0.875 256 A CB -0.380 18.578 19.000 -0.071 0.000 0.925 256 A HN 0.200 nan 8.150 nan 0.000 0.493 257 T N 1.317 115.832 114.554 -0.065 0.000 2.803 257 T HA -0.164 4.186 4.350 0.000 0.000 0.269 257 T C 1.643 176.308 174.700 -0.058 0.000 1.052 257 T CA 1.838 63.898 62.100 -0.067 0.000 1.136 257 T CB -0.250 68.589 68.868 -0.050 0.000 0.864 257 T HN 0.873 nan 8.240 nan 0.000 0.467 258 D N 0.866 121.240 120.400 -0.044 0.000 2.301 258 D HA -0.047 4.594 4.640 0.000 0.000 0.206 258 D C 2.079 178.351 176.300 -0.045 0.000 0.979 258 D CA 1.270 55.247 54.000 -0.038 0.000 0.874 258 D CB -0.801 39.985 40.800 -0.023 0.000 0.968 258 D HN 0.524 nan 8.370 nan 0.000 0.510 259 T N -1.081 113.450 114.554 -0.038 0.000 3.035 259 T HA 0.126 4.476 4.350 0.000 0.000 0.259 259 T C 2.351 177.035 174.700 -0.027 0.000 1.078 259 T CA 0.050 62.133 62.100 -0.028 0.000 1.132 259 T CB -0.484 68.389 68.868 0.009 0.000 0.900 259 T HN 0.080 nan 8.240 nan 0.000 0.480 260 I N 2.753 123.297 120.570 -0.042 0.000 2.127 260 I HA -0.103 4.067 4.170 0.000 0.000 0.241 260 I C -0.139 175.973 176.117 -0.007 0.000 1.075 260 I CA 1.516 62.801 61.300 -0.025 0.000 1.334 260 I CB -1.092 36.795 38.000 -0.188 0.000 1.040 260 I HN 0.242 nan 8.210 nan 0.000 0.405 261 P HA -0.162 nan 4.420 nan 0.000 0.218 261 P C 1.938 179.131 177.300 -0.179 0.000 1.149 261 P CA 1.603 64.653 63.100 -0.084 0.000 0.817 261 P CB -0.022 31.631 31.700 -0.077 0.000 0.785 262 L N -0.839 120.232 121.223 -0.253 0.000 2.056 262 L HA -0.103 4.237 4.340 0.000 0.000 0.207 262 L C 2.790 179.182 176.870 -0.797 0.000 1.078 262 L CA 1.047 55.540 54.840 -0.577 0.000 0.749 262 L CB -0.984 40.791 42.059 -0.474 0.000 0.901 262 L HN -0.176 nan 8.230 nan 0.000 0.433 263 V N -0.036 119.684 119.914 -0.325 0.000 2.295 263 V HA -0.295 3.825 4.120 0.000 0.000 0.246 263 V C 2.617 178.620 176.094 -0.152 0.000 1.049 263 V CA 1.815 64.046 62.300 -0.116 0.000 1.024 263 V CB -0.583 31.348 31.823 0.181 0.000 0.648 263 V HN 0.414 nan 8.190 nan 0.000 0.447 264 R N -0.356 120.091 120.500 -0.088 0.000 2.092 264 R HA -0.130 4.210 4.340 0.000 0.000 0.231 264 R C 2.665 178.900 176.300 -0.107 0.000 1.119 264 R CA 1.512 57.576 56.100 -0.061 0.000 0.970 264 R CB -0.563 29.739 30.300 0.003 0.000 0.864 264 R HN 0.478 nan 8.270 nan 0.000 0.440 265 S N 0.361 115.948 115.700 -0.189 0.000 2.359 265 S HA -0.104 4.366 4.470 0.000 0.000 0.224 265 S C 1.734 176.345 174.600 0.018 0.000 1.035 265 S CA 1.192 59.318 58.200 -0.123 0.000 1.018 265 S CB -0.198 62.883 63.200 -0.198 0.000 0.876 265 S HN 0.334 nan 8.310 nan 0.000 0.448 266 F N 1.116 120.916 119.950 -0.249 0.000 2.259 266 F HA 0.068 4.595 4.527 0.001 0.000 0.298 266 F C 2.697 178.301 175.800 -0.327 0.000 1.088 266 F CA 0.228 57.993 58.000 -0.392 0.000 1.358 266 F CB -0.293 38.071 39.000 -1.061 0.000 1.040 266 F HN 0.316 nan 8.300 nan 0.000 0.505 267 A N 0.559 123.338 122.820 -0.069 0.000 1.968 267 A HA -0.143 4.177 4.320 0.000 0.000 0.217 267 A C 1.806 179.371 177.584 -0.031 0.000 1.169 267 A CA 1.400 53.422 52.037 -0.024 0.000 0.638 267 A CB -0.517 18.462 19.000 -0.034 0.000 0.812 267 A HN 0.279 nan 8.150 nan 0.000 0.446 268 N N -0.451 118.234 118.700 -0.026 0.000 2.376 268 N HA 0.009 4.749 4.740 0.000 0.000 0.177 268 N C 0.260 175.760 175.510 -0.018 0.000 1.024 268 N CA 1.000 54.036 53.050 -0.023 0.000 0.893 268 N CB 0.072 38.548 38.487 -0.019 0.000 0.980 268 N HN 0.328 nan 8.380 nan 0.000 0.439 269 S N -0.868 114.832 115.700 -0.001 0.000 2.672 269 S HA 0.313 4.783 4.470 0.000 0.000 0.291 269 S C 0.695 175.273 174.600 -0.038 0.000 1.145 269 S CA -0.587 57.603 58.200 -0.016 0.000 1.013 269 S CB 1.133 64.335 63.200 0.004 0.000 1.017 269 S HN 0.014 nan 8.310 nan 0.000 0.487 270 T N 3.816 118.290 114.554 -0.133 0.000 2.746 270 T HA -0.133 4.217 4.350 0.000 0.000 0.267 270 T C 1.789 176.249 174.700 -0.401 0.000 1.039 270 T CA 1.647 63.551 62.100 -0.327 0.000 1.142 270 T CB -0.270 68.321 68.868 -0.462 0.000 0.866 270 T HN 0.761 nan 8.240 nan 0.000 0.444 271 Q N 0.323 119.993 119.800 -0.217 0.000 2.084 271 Q HA -0.144 4.197 4.340 0.000 0.000 0.202 271 Q C 2.193 178.168 176.000 -0.041 0.000 0.978 271 Q CA 1.634 57.373 55.803 -0.106 0.000 0.844 271 Q CB -0.198 28.512 28.738 -0.046 0.000 0.898 271 Q HN 0.448 nan 8.270 nan 0.000 0.426 272 T N 0.739 115.289 114.554 -0.006 0.000 2.777 272 T HA -0.139 4.211 4.350 0.000 0.000 0.266 272 T C 1.260 175.960 174.700 -0.001 0.000 1.040 272 T CA 1.228 63.362 62.100 0.057 0.000 1.141 272 T CB -0.399 68.556 68.868 0.144 0.000 0.868 272 T HN 0.370 nan 8.240 nan 0.000 0.444 273 F N 1.764 121.585 119.950 -0.215 0.000 2.084 273 F HA 0.022 4.549 4.527 0.000 0.000 0.296 273 F C 1.752 177.464 175.800 -0.147 0.000 1.111 273 F CA 0.621 58.315 58.000 -0.511 0.000 1.224 273 F CB -0.792 38.003 39.000 -0.341 0.000 0.991 273 F HN 0.031 nan 8.300 nan 0.000 0.471 274 F N 1.613 121.221 119.950 -0.571 0.000 2.091 274 F HA -0.247 4.280 4.527 0.000 0.000 0.299 274 F C 2.415 177.972 175.800 -0.405 0.000 1.103 274 F CA 1.467 59.138 58.000 -0.549 0.000 1.228 274 F CB -1.719 37.125 39.000 -0.260 0.000 0.984 274 F HN 0.095 nan 8.300 nan 0.000 0.477 275 N N 0.316 118.967 118.700 -0.082 0.000 2.069 275 N HA -0.154 4.586 4.740 0.000 0.000 0.191 275 N C 2.048 177.444 175.510 -0.191 0.000 1.031 275 N CA 1.578 54.551 53.050 -0.129 0.000 0.852 275 N CB -0.777 37.674 38.487 -0.060 0.000 1.018 275 N HN 0.250 nan 8.380 nan 0.000 0.423 276 A N 0.332 123.028 122.820 -0.206 0.000 1.930 276 A HA -0.094 4.227 4.320 0.000 0.000 0.217 276 A C 2.088 179.547 177.584 -0.207 0.000 1.175 276 A CA 0.772 52.700 52.037 -0.182 0.000 0.627 276 A CB -0.805 18.045 19.000 -0.251 0.000 0.815 276 A HN 0.268 nan 8.150 nan 0.000 0.443 277 F N 0.576 120.248 119.950 -0.464 0.000 2.146 277 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 277 F C 2.243 177.756 175.800 -0.478 0.000 1.096 277 F CA 1.777 59.529 58.000 -0.413 0.000 1.275 277 F CB -0.253 38.390 39.000 -0.595 0.000 1.008 277 F HN 0.028 nan 8.300 nan 0.000 0.480 278 V N 0.307 119.835 119.914 -0.644 0.000 2.295 278 V HA -0.306 3.814 4.120 0.000 0.000 0.246 278 V C 2.382 178.068 176.094 -0.680 0.000 1.049 278 V CA 2.285 63.940 62.300 -1.075 0.000 1.024 278 V CB -0.747 30.432 31.823 -1.073 0.000 0.648 278 V HN 0.399 nan 8.190 nan 0.000 0.447 279 E N 0.115 120.069 120.200 -0.410 0.000 2.051 279 E HA -0.222 4.128 4.350 0.000 0.000 0.192 279 E C 2.231 178.718 176.600 -0.189 0.000 0.991 279 E CA 1.401 57.660 56.400 -0.236 0.000 0.799 279 E CB -0.237 29.381 29.700 -0.138 0.000 0.748 279 E HN 0.565 nan 8.360 nan 0.000 0.449 280 A N 0.744 123.441 122.820 -0.204 0.000 1.930 280 A HA -0.151 4.169 4.320 0.000 0.000 0.217 280 A C 2.162 179.637 177.584 -0.182 0.000 1.175 280 A CA 1.239 53.200 52.037 -0.127 0.000 0.627 280 A CB -0.351 18.611 19.000 -0.063 0.000 0.815 280 A HN 0.267 nan 8.150 nan 0.000 0.443 281 M N 0.060 119.429 119.600 -0.385 0.000 2.117 281 M HA -0.142 4.338 4.480 0.000 0.000 0.262 281 M C 1.294 177.575 176.300 -0.032 0.000 1.065 281 M CA 1.534 56.664 55.300 -0.283 0.000 1.114 281 M CB -1.297 31.039 32.600 -0.440 0.000 1.361 281 M HN 0.348 nan 8.290 nan 0.000 0.408 282 D N -0.595 119.775 120.400 -0.050 0.000 2.224 282 D HA -0.075 4.565 4.640 0.000 0.000 0.205 282 D C 2.167 178.480 176.300 0.023 0.000 0.965 282 D CA 0.834 54.863 54.000 0.048 0.000 0.852 282 D CB -0.153 40.668 40.800 0.035 0.000 0.947 282 D HN 0.342 nan 8.370 nan 0.000 0.494 283 R N -0.014 120.479 120.500 -0.012 0.000 2.073 283 R HA 0.034 4.375 4.340 0.000 0.000 0.229 283 R C 2.331 178.633 176.300 0.003 0.000 1.120 283 R CA 0.740 56.837 56.100 -0.004 0.000 0.967 283 R CB -0.213 30.086 30.300 -0.001 0.000 0.862 283 R HN 0.167 nan 8.270 nan 0.000 0.436 284 M N -0.074 119.536 119.600 0.016 0.000 2.175 284 M HA -0.053 4.427 4.480 0.000 0.000 0.264 284 M C 1.774 178.087 176.300 0.021 0.000 1.063 284 M CA 1.951 57.267 55.300 0.026 0.000 1.119 284 M CB -0.072 32.573 32.600 0.074 0.000 1.377 284 M HN 0.240 nan 8.290 nan 0.000 0.415 285 G N 0.064 108.913 108.800 0.081 0.000 2.679 285 G HA2 -0.149 3.811 3.960 0.000 0.000 0.212 285 G HA3 -0.149 3.811 3.960 0.000 0.000 0.212 285 G C 1.073 176.008 174.900 0.058 0.000 1.137 285 G CA 0.325 45.505 45.100 0.133 0.000 0.787 285 G HN 0.472 nan 8.290 nan 0.000 0.534 286 N N 0.231 118.942 118.700 0.019 0.000 2.230 286 N HA 0.164 4.905 4.740 0.000 0.000 0.202 286 N C 0.212 175.700 175.510 -0.035 0.000 1.119 286 N CA -0.185 52.860 53.050 -0.008 0.000 0.851 286 N CB 0.450 38.932 38.487 -0.008 0.000 0.990 286 N HN 0.238 nan 8.380 nan 0.000 0.497 287 I N 2.144 122.684 120.570 -0.051 0.000 2.517 287 I HA -0.085 4.086 4.170 0.000 0.000 0.285 287 I C 0.716 176.781 176.117 -0.087 0.000 1.106 287 I CA 0.069 61.315 61.300 -0.089 0.000 1.402 287 I CB 0.212 38.130 38.000 -0.136 0.000 1.399 287 I HN 0.167 nan 8.210 nan 0.000 0.535 288 T N 4.595 119.096 114.554 -0.088 0.000 3.107 288 T HA -0.127 4.223 4.350 0.000 0.000 0.431 288 T C -1.919 172.738 174.700 -0.072 0.000 0.773 288 T CA -0.693 61.356 62.100 -0.085 0.000 2.334 288 T CB -1.820 66.982 68.868 -0.111 0.000 1.592 288 T HN 0.488 nan 8.240 nan 0.000 0.542 289 P HA 0.493 nan 4.420 nan 0.000 0.277 289 P C 0.170 177.441 177.300 -0.048 0.000 1.240 289 P CA -0.900 62.170 63.100 -0.050 0.000 0.798 289 P CB 1.001 32.669 31.700 -0.053 0.000 0.979 290 L N 2.084 123.283 121.223 -0.040 0.000 2.275 290 L HA 0.448 4.788 4.340 0.000 0.000 0.288 290 L C 1.171 178.012 176.870 -0.048 0.000 1.046 290 L CA -0.108 54.714 54.840 -0.031 0.000 0.805 290 L CB 1.255 43.307 42.059 -0.011 0.000 1.193 290 L HN 0.550 nan 8.230 nan 0.000 0.426 291 T N -1.047 113.480 114.554 -0.045 0.000 2.831 291 T HA 0.789 5.139 4.350 0.000 0.000 0.287 291 T C 0.535 175.223 174.700 -0.020 0.000 1.070 291 T CA -0.044 62.019 62.100 -0.062 0.000 1.010 291 T CB 1.831 70.653 68.868 -0.077 0.000 1.264 291 T HN 0.850 nan 8.240 nan 0.000 0.532 292 G N 1.262 110.062 108.800 -0.001 0.000 2.620 292 G HA2 -0.354 3.606 3.960 0.000 0.000 0.315 292 G HA3 -0.354 3.606 3.960 0.000 0.000 0.315 292 G C 0.977 175.904 174.900 0.044 0.000 1.179 292 G CA 1.913 47.035 45.100 0.036 0.000 0.971 292 G HN 2.061 nan 8.290 nan 0.000 0.544 293 T N -0.952 113.621 114.554 0.032 0.000 3.054 293 T HA 0.466 4.816 4.350 0.000 0.000 0.255 293 T C 0.832 175.548 174.700 0.025 0.000 1.035 293 T CA 0.988 63.108 62.100 0.033 0.000 0.941 293 T CB 0.291 69.177 68.868 0.029 0.000 1.026 293 T HN 0.749 nan 8.240 nan 0.000 0.533 294 Q N 1.581 121.391 119.800 0.017 0.000 2.332 294 Q HA 0.493 4.833 4.340 0.000 0.000 0.263 294 Q C 1.132 177.142 176.000 0.017 0.000 0.979 294 Q CA 0.443 56.254 55.803 0.013 0.000 0.885 294 Q CB 0.611 29.351 28.738 0.004 0.000 1.218 294 Q HN 0.583 nan 8.270 nan 0.000 0.405 295 G N 1.471 110.283 108.800 0.020 0.000 2.645 295 G HA2 -0.283 3.677 3.960 0.000 0.000 0.246 295 G HA3 -0.283 3.677 3.960 0.000 0.000 0.246 295 G C -0.554 174.364 174.900 0.030 0.000 1.322 295 G CA 0.179 45.294 45.100 0.024 0.000 0.898 295 G HN 0.815 nan 8.290 nan 0.000 0.573 296 Q N -2.251 117.569 119.800 0.035 0.000 2.943 296 Q HA 0.736 5.076 4.340 0.000 0.000 0.328 296 Q C -0.926 175.106 176.000 0.052 0.000 0.934 296 Q CA -1.157 54.671 55.803 0.042 0.000 0.782 296 Q CB 1.523 30.283 28.738 0.037 0.000 1.470 296 Q HN 0.668 nan 8.270 nan 0.000 0.503 297 I N 2.049 122.654 120.570 0.057 0.000 2.361 297 I HA 0.342 4.512 4.170 0.000 0.000 0.282 297 I C 0.013 176.158 176.117 0.047 0.000 1.075 297 I CA -0.375 60.964 61.300 0.065 0.000 1.205 297 I CB 0.428 38.476 38.000 0.080 0.000 1.406 297 I HN 0.647 nan 8.210 nan 0.000 0.481 298 R N 4.370 124.895 120.500 0.042 0.000 2.522 298 R HA 0.070 4.410 4.340 0.000 0.000 0.284 298 R C 0.717 177.033 176.300 0.028 0.000 1.032 298 R CA -0.225 55.896 56.100 0.035 0.000 1.049 298 R CB 0.852 31.174 30.300 0.037 0.000 0.956 298 R HN 0.454 nan 8.270 nan 0.000 0.422 299 L N 2.414 123.650 121.223 0.023 0.000 2.209 299 L HA 0.019 4.360 4.340 0.000 0.000 0.207 299 L C 0.590 177.468 176.870 0.014 0.000 1.094 299 L CA 1.135 55.984 54.840 0.015 0.000 0.790 299 L CB -0.980 41.086 42.059 0.013 0.000 0.932 299 L HN 0.605 nan 8.230 nan 0.000 0.447 300 N N -1.024 117.686 118.700 0.017 0.000 2.483 300 N HA 0.083 4.823 4.740 0.000 0.000 0.267 300 N C 0.698 176.223 175.510 0.024 0.000 0.998 300 N CA -0.296 52.764 53.050 0.017 0.000 0.918 300 N CB 1.223 39.717 38.487 0.012 0.000 1.215 300 N HN -0.061 nan 8.380 nan 0.000 0.500 301 c N 2.437 121.056 118.600 0.031 0.000 2.409 301 c HA -0.030 4.540 4.570 0.000 0.000 0.288 301 c C 2.124 176.236 174.090 0.036 0.000 1.395 301 c CA 0.534 56.887 56.329 0.041 0.000 1.792 301 c CB -0.969 41.576 42.510 0.057 0.000 1.847 301 c HN 0.700 nan 8.230 nan 0.000 0.534 302 R N 0.228 120.741 120.500 0.022 0.000 2.240 302 R HA 0.108 4.448 4.340 0.000 0.000 0.203 302 R C 0.560 176.869 176.300 0.016 0.000 1.011 302 R CA 0.724 56.826 56.100 0.003 0.000 1.007 302 R CB 0.084 30.375 30.300 -0.015 0.000 0.911 302 R HN 0.577 nan 8.270 nan 0.000 0.468 303 V N -3.889 116.040 119.914 0.026 0.000 3.114 303 V HA 0.451 4.572 4.120 0.000 0.000 0.308 303 V C -0.003 176.120 176.094 0.048 0.000 1.168 303 V CA -1.293 61.029 62.300 0.038 0.000 1.015 303 V CB 2.041 33.870 31.823 0.009 0.000 1.050 303 V HN -0.298 nan 8.190 nan 0.000 0.433 304 V N 2.525 122.479 119.914 0.067 0.000 2.924 304 V HA 0.229 4.349 4.120 0.000 0.000 0.305 304 V C 0.785 176.901 176.094 0.036 0.000 1.073 304 V CA -0.280 62.055 62.300 0.058 0.000 1.098 304 V CB 0.553 32.424 31.823 0.079 0.000 1.000 304 V HN 1.011 nan 8.190 nan 0.000 0.484 305 N N 2.451 121.170 118.700 0.031 0.000 2.374 305 N HA 0.030 4.770 4.740 0.000 0.000 0.241 305 N C 1.301 176.822 175.510 0.018 0.000 1.262 305 N CA 0.891 53.955 53.050 0.023 0.000 0.880 305 N CB 0.478 38.979 38.487 0.024 0.000 1.105 305 N HN 1.100 nan 8.380 nan 0.000 0.438 306 S N -0.095 115.612 115.700 0.013 0.000 4.149 306 S HA -0.401 4.070 4.470 0.000 0.000 0.536 306 S C 0.662 175.264 174.600 0.004 0.000 1.562 306 S CA 1.917 60.122 58.200 0.008 0.000 3.928 306 S CB -1.994 61.212 63.200 0.009 0.000 1.486 306 S HN 1.477 nan 8.310 nan 0.000 0.455 307 N N 0.000 118.704 118.700 0.006 0.000 1.763 307 N HA 0.000 4.740 4.740 0.000 0.000 0.220 307 N CA 0.000 nan 53.050 nan 0.000 0.885 307 N CB 0.000 nan 38.487 nan 0.000 1.341 307 N HN 0.000 nan 8.380 nan 0.000 0.667