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 1w36_1_D DATA FIRST_RESID 2 DATA SEQUENCE KLQKQLLEAV EHKQLRPLDV QFALTVAGDE HPAVTLAAAL LSHDAGEGHV DATA SEQUENCE CLPLSRLENN EASHPLLATC VSEIGELQNW EECLLASQAV SRGDEPTPMI DATA SEQUENCE LCGDRLYLNR MWCNERTVAR FFNEVNHAIE VDEALLAQTL DKLFPVSDEI DATA SEQUENCE NWQKVAAAVA LTRRISVISG GPGTGKTTTV AKLLAALIQM ADGERCRIRL DATA SEQUENCE AAPTGKAAAR LTESLGKALR QLPLTDEQKK RIPEDASTLH RLLXXXXXXX DATA SEQUENCE XXXXHAGNPL HLDVLVVDEA SMIDLPMMSR LIDALPDHAR VIFLGDRDQL DATA SEQUENCE ASVEAGAVLG DICAYANAGF TAERARQLSR LTGTHVPAGT GTEAASLRDS DATA SEQUENCE LCLLQKSYRF GSDSGIGQLA AAINRGDKTA VKTVFQQDFT DIEKRLLQSG DATA SEQUENCE EDYIAMLEEA LAGYGRYLDL LQARAEPDLI IQAFNEYQLL CALREGPFGV DATA SEQUENCE AGLNERIEQF MQQKRXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XQPSRLPEHE TTWAMTVHKS QGSEFDHAAL DATA SEQUENCE ILPSQRTPVV TRELVYTAVT RARRRLSLYA DERILSAAIA TRTERRSGLA DATA SEQUENCE ALFSSR 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.590 176.600 -0.017 0.000 0.988 2 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 2 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 3 L N 2.676 123.891 121.223 -0.013 0.000 2.351 3 L HA -0.209 4.131 4.340 0.000 0.000 0.220 3 L C 2.313 179.183 176.870 0.001 0.000 1.127 3 L CA 1.827 56.665 54.840 -0.003 0.000 0.786 3 L CB -0.489 41.575 42.059 0.008 0.000 0.914 3 L HN 0.545 nan 8.230 nan 0.000 0.443 4 Q N 0.705 120.505 119.800 -0.000 0.000 2.195 4 Q HA -0.396 3.945 4.340 0.000 0.000 0.220 4 Q C 1.970 177.976 176.000 0.009 0.000 1.070 4 Q CA 3.017 58.823 55.803 0.004 0.000 0.945 4 Q CB -0.104 28.634 28.738 0.000 0.000 1.085 4 Q HN 0.400 nan 8.270 nan 0.000 0.452 5 K N -0.500 119.903 120.400 0.006 0.000 2.000 5 K HA -0.261 4.059 4.320 0.000 0.000 0.218 5 K C 2.292 178.899 176.600 0.011 0.000 1.053 5 K CA 2.175 58.467 56.287 0.009 0.000 0.946 5 K CB -0.311 32.191 32.500 0.003 0.000 0.723 5 K HN 0.441 nan 8.250 nan 0.000 0.446 6 Q N 0.722 120.524 119.800 0.004 0.000 2.096 6 Q HA -0.216 4.124 4.340 0.000 0.000 0.208 6 Q C 2.357 178.362 176.000 0.008 0.000 0.993 6 Q CA 1.612 57.414 55.803 -0.001 0.000 0.862 6 Q CB -0.510 28.226 28.738 -0.002 0.000 0.915 6 Q HN 0.336 nan 8.270 nan 0.000 0.416 7 L N 0.450 121.683 121.223 0.017 0.000 1.961 7 L HA -0.223 4.117 4.340 0.000 0.000 0.210 7 L C 2.586 179.478 176.870 0.036 0.000 1.072 7 L CA 1.098 55.955 54.840 0.027 0.000 0.749 7 L CB -0.704 41.374 42.059 0.031 0.000 0.889 7 L HN 0.185 nan 8.230 nan 0.000 0.432 8 L N -0.247 120.997 121.223 0.035 0.000 2.089 8 L HA -0.293 4.048 4.340 0.000 0.000 0.213 8 L C 2.619 179.524 176.870 0.057 0.000 1.079 8 L CA 1.549 56.414 54.840 0.042 0.000 0.758 8 L CB -0.558 41.521 42.059 0.033 0.000 0.891 8 L HN 0.367 nan 8.230 nan 0.000 0.433 9 E N 0.127 120.361 120.200 0.058 0.000 2.051 9 E HA -0.240 4.110 4.350 0.000 0.000 0.192 9 E C 2.260 178.951 176.600 0.151 0.000 0.991 9 E CA 1.070 57.530 56.400 0.100 0.000 0.799 9 E CB -0.084 29.645 29.700 0.048 0.000 0.748 9 E HN 0.459 nan 8.360 nan 0.000 0.449 10 A N 0.339 123.204 122.820 0.075 0.000 2.084 10 A HA -0.170 4.150 4.320 0.000 0.000 0.221 10 A C 2.256 179.900 177.584 0.100 0.000 1.161 10 A CA 1.449 53.529 52.037 0.072 0.000 0.653 10 A CB -0.431 18.583 19.000 0.023 0.000 0.802 10 A HN 0.243 nan 8.150 nan 0.000 0.457 11 V N -0.421 119.546 119.914 0.088 0.000 2.649 11 V HA -0.170 3.950 4.120 0.000 0.000 0.248 11 V C 2.239 178.369 176.094 0.061 0.000 1.054 11 V CA 1.784 64.125 62.300 0.069 0.000 1.073 11 V CB -0.639 31.217 31.823 0.056 0.000 0.699 11 V HN 0.640 nan 8.190 nan 0.000 0.463 12 E N -0.170 120.079 120.200 0.081 0.000 2.110 12 E HA -0.212 4.138 4.350 0.000 0.000 0.193 12 E C 1.546 178.078 176.600 -0.113 0.000 0.988 12 E CA 1.337 57.741 56.400 0.006 0.000 0.804 12 E CB -0.165 29.559 29.700 0.041 0.000 0.745 12 E HN 0.701 nan 8.360 nan 0.000 0.458 13 H N 0.382 119.455 119.070 0.006 0.000 2.592 13 H HA 0.189 4.745 4.556 0.000 0.000 0.291 13 H C -0.138 175.194 175.328 0.006 0.000 1.052 13 H CA 0.105 56.155 56.048 0.004 0.000 1.175 13 H CB -0.058 29.705 29.762 0.001 0.000 1.378 13 H HN -0.002 nan 8.280 nan 0.000 0.576 14 K N 0.480 120.909 120.400 0.047 0.000 2.960 14 K HA -0.301 4.019 4.320 0.000 0.000 0.259 14 K C 0.555 177.189 176.600 0.057 0.000 1.025 14 K CA 1.033 57.346 56.287 0.043 0.000 0.756 14 K CB -0.766 31.747 32.500 0.022 0.000 1.221 14 K HN 0.708 nan 8.250 nan 0.000 0.483 15 Q N 0.191 120.026 119.800 0.058 0.000 2.220 15 Q HA 0.254 4.595 4.340 0.000 0.000 0.205 15 Q C -0.088 175.879 176.000 -0.054 0.000 0.865 15 Q CA -0.285 55.525 55.803 0.012 0.000 0.960 15 Q CB 0.123 28.861 28.738 0.002 0.000 1.097 15 Q HN 0.323 nan 8.270 nan 0.000 0.493 16 L N -2.995 118.244 121.223 0.027 0.000 2.940 16 L HA 0.433 4.773 4.340 0.000 0.000 0.247 16 L C -1.395 175.536 176.870 0.102 0.000 0.970 16 L CA -1.243 53.645 54.840 0.079 0.000 1.003 16 L CB 0.904 42.960 42.059 -0.005 0.000 1.552 16 L HN 0.129 nan 8.230 nan 0.000 0.432 17 R N 0.505 121.084 120.500 0.131 0.000 2.532 17 R HA 0.617 4.957 4.340 0.000 0.000 0.272 17 R C -2.076 174.274 176.300 0.084 0.000 1.032 17 R CA -1.521 54.634 56.100 0.092 0.000 1.089 17 R CB 0.527 30.875 30.300 0.080 0.000 1.098 17 R HN 0.502 nan 8.270 nan 0.000 0.526 18 P HA -0.266 nan 4.420 nan 0.000 0.218 18 P C 1.530 178.878 177.300 0.081 0.000 1.154 18 P CA 1.307 64.446 63.100 0.064 0.000 0.872 18 P CB -0.019 31.710 31.700 0.049 0.000 0.790 19 L N -0.175 121.095 121.223 0.078 0.000 2.042 19 L HA -0.192 4.148 4.340 0.000 0.000 0.210 19 L C 1.887 178.844 176.870 0.145 0.000 1.076 19 L CA 2.101 56.996 54.840 0.092 0.000 0.749 19 L CB -0.715 41.377 42.059 0.054 0.000 0.893 19 L HN -0.065 nan 8.230 nan 0.000 0.432 20 D N -0.617 119.867 120.400 0.140 0.000 2.084 20 D HA -0.216 4.425 4.640 0.000 0.000 0.194 20 D C 2.093 178.521 176.300 0.213 0.000 0.990 20 D CA 1.618 55.735 54.000 0.195 0.000 0.826 20 D CB -0.590 40.319 40.800 0.182 0.000 0.971 20 D HN 0.351 nan 8.370 nan 0.000 0.453 21 V N 0.913 120.911 119.914 0.141 0.000 2.427 21 V HA -0.195 3.925 4.120 0.000 0.000 0.248 21 V C 2.068 178.219 176.094 0.095 0.000 1.051 21 V CA 1.585 63.948 62.300 0.106 0.000 1.048 21 V CB -0.148 31.718 31.823 0.073 0.000 0.666 21 V HN 0.036 nan 8.190 nan 0.000 0.456 22 Q N -0.667 119.198 119.800 0.108 0.000 2.167 22 Q HA -0.150 4.191 4.340 0.000 0.000 0.202 22 Q C 1.970 178.036 176.000 0.109 0.000 0.970 22 Q CA 1.984 57.840 55.803 0.087 0.000 0.855 22 Q CB -0.574 28.215 28.738 0.085 0.000 0.911 22 Q HN 0.792 nan 8.270 nan 0.000 0.438 23 F N 1.203 121.172 119.950 0.030 0.000 2.084 23 F HA -0.096 4.432 4.527 0.000 0.000 0.296 23 F C 2.134 177.952 175.800 0.030 0.000 1.111 23 F CA 1.285 59.303 58.000 0.030 0.000 1.224 23 F CB -0.632 38.390 39.000 0.037 0.000 0.991 23 F HN 0.028 nan 8.300 nan 0.000 0.471 24 A N 1.309 124.083 122.820 -0.077 0.000 1.869 24 A HA -0.228 4.092 4.320 0.000 0.000 0.218 24 A C 2.381 179.858 177.584 -0.178 0.000 1.203 24 A CA 2.340 54.282 52.037 -0.159 0.000 0.638 24 A CB -1.460 17.557 19.000 0.030 0.000 0.831 24 A HN 0.536 nan 8.150 nan 0.000 0.450 25 L N -0.400 120.773 121.223 -0.083 0.000 1.990 25 L HA -0.233 4.107 4.340 0.000 0.000 0.213 25 L C 3.107 179.919 176.870 -0.096 0.000 1.072 25 L CA 2.174 56.974 54.840 -0.067 0.000 0.755 25 L CB -1.052 40.993 42.059 -0.024 0.000 0.889 25 L HN 0.725 nan 8.230 nan 0.000 0.432 26 T N -3.718 110.769 114.554 -0.111 0.000 2.777 26 T HA -0.107 4.243 4.350 0.000 0.000 0.266 26 T C 1.786 176.399 174.700 -0.146 0.000 1.040 26 T CA 1.161 63.201 62.100 -0.101 0.000 1.141 26 T CB -0.617 68.214 68.868 -0.062 0.000 0.868 26 T HN 0.083 nan 8.240 nan 0.000 0.444 27 V N 1.130 120.881 119.914 -0.271 0.000 2.407 27 V HA 0.208 4.328 4.120 0.000 0.000 0.245 27 V C 2.633 178.606 176.094 -0.202 0.000 1.041 27 V CA 1.456 63.580 62.300 -0.293 0.000 1.040 27 V CB -0.714 30.741 31.823 -0.612 0.000 0.671 27 V HN 0.784 nan 8.190 nan 0.000 0.455 28 A N -1.669 121.035 122.820 -0.193 0.000 2.713 28 A HA 0.562 4.883 4.320 0.000 0.000 0.212 28 A C 2.101 179.633 177.584 -0.086 0.000 2.263 28 A CA 1.131 53.099 52.037 -0.115 0.000 1.645 28 A CB -0.888 18.053 19.000 -0.098 0.000 1.159 28 A HN 0.961 nan 8.150 nan 0.000 0.394 29 G N -0.576 108.182 108.800 -0.070 0.000 3.246 29 G HA2 -0.331 3.629 3.960 0.000 0.000 0.227 29 G HA3 -0.331 3.629 3.960 0.000 0.000 0.227 29 G C 0.336 175.211 174.900 -0.041 0.000 1.291 29 G CA 1.112 46.181 45.100 -0.052 0.000 0.900 29 G HN 0.543 nan 8.290 nan 0.000 0.538 30 D N 2.264 122.638 120.400 -0.043 0.000 2.615 30 D HA 0.378 5.019 4.640 0.000 0.000 0.236 30 D C 0.814 177.095 176.300 -0.032 0.000 1.233 30 D CA 0.280 54.258 54.000 -0.036 0.000 0.829 30 D CB 0.349 41.129 40.800 -0.034 0.000 1.024 30 D HN 0.693 nan 8.370 nan 0.000 0.490 31 E N -0.575 119.608 120.200 -0.028 0.000 2.431 31 E HA 0.144 4.494 4.350 0.000 0.000 0.268 31 E C -0.284 176.328 176.600 0.020 0.000 0.953 31 E CA -0.927 55.467 56.400 -0.009 0.000 0.810 31 E CB 1.641 31.331 29.700 -0.018 0.000 1.369 31 E HN 0.079 nan 8.360 nan 0.000 0.440 32 H N 3.605 122.625 119.070 -0.084 0.000 3.157 32 H HA -0.015 4.541 4.556 0.000 0.000 0.299 32 H C -1.603 173.664 175.328 -0.102 0.000 0.961 32 H CA -1.199 54.790 56.048 -0.099 0.000 1.428 32 H CB 0.718 30.403 29.762 -0.129 0.000 1.459 32 H HN 0.252 nan 8.280 nan 0.000 0.566 33 P HA -0.239 nan 4.420 nan 0.000 0.219 33 P C 1.106 178.488 177.300 0.136 0.000 1.145 33 P CA 1.824 64.973 63.100 0.081 0.000 0.813 33 P CB 0.049 31.748 31.700 -0.003 0.000 0.771 34 A N 0.667 123.671 122.820 0.306 0.000 1.858 34 A HA -0.163 4.158 4.320 0.000 0.000 0.216 34 A C 2.499 179.986 177.584 -0.162 0.000 1.190 34 A CA 2.486 54.445 52.037 -0.129 0.000 0.617 34 A CB -1.759 16.797 19.000 -0.740 0.000 0.827 34 A HN 0.211 nan 8.150 nan 0.000 0.443 35 V N -1.447 118.375 119.914 -0.153 0.000 2.490 35 V HA -0.169 3.951 4.120 0.000 0.000 0.250 35 V C 2.094 178.186 176.094 -0.004 0.000 1.061 35 V CA 3.013 65.265 62.300 -0.081 0.000 1.064 35 V CB -1.503 30.269 31.823 -0.085 0.000 0.670 35 V HN 0.487 nan 8.190 nan 0.000 0.461 36 T N 0.792 115.349 114.554 0.004 0.000 2.746 36 T HA -0.098 4.252 4.350 0.000 0.000 0.267 36 T C 1.847 176.577 174.700 0.050 0.000 1.039 36 T CA 2.142 64.247 62.100 0.008 0.000 1.142 36 T CB -0.364 68.509 68.868 0.007 0.000 0.866 36 T HN 0.487 nan 8.240 nan 0.000 0.444 37 L N 0.453 121.724 121.223 0.080 0.000 2.056 37 L HA -0.080 4.260 4.340 0.000 0.000 0.207 37 L C 2.863 179.827 176.870 0.157 0.000 1.078 37 L CA 1.288 56.201 54.840 0.121 0.000 0.749 37 L CB -0.595 41.560 42.059 0.159 0.000 0.901 37 L HN 0.277 nan 8.230 nan 0.000 0.433 38 A N -0.067 122.872 122.820 0.198 0.000 1.873 38 A HA -0.299 4.021 4.320 0.000 0.000 0.218 38 A C 2.450 180.143 177.584 0.181 0.000 1.193 38 A CA 2.120 54.291 52.037 0.222 0.000 0.629 38 A CB -1.045 18.114 19.000 0.264 0.000 0.826 38 A HN 0.545 nan 8.150 nan 0.000 0.447 39 A N -0.249 122.670 122.820 0.165 0.000 1.892 39 A HA 0.056 4.376 4.320 0.000 0.000 0.218 39 A C 2.571 180.337 177.584 0.303 0.000 1.188 39 A CA 2.733 54.917 52.037 0.246 0.000 0.631 39 A CB -1.286 17.757 19.000 0.072 0.000 0.822 39 A HN 1.261 nan 8.150 nan 0.000 0.447 40 A N -0.139 122.805 122.820 0.207 0.000 1.859 40 A HA -0.170 4.150 4.320 0.000 0.000 0.217 40 A C 2.188 179.896 177.584 0.207 0.000 1.198 40 A CA 1.841 53.998 52.037 0.200 0.000 0.629 40 A CB -0.878 18.198 19.000 0.126 0.000 0.830 40 A HN 0.528 nan 8.150 nan 0.000 0.446 41 L N -0.981 120.344 121.223 0.169 0.000 2.131 41 L HA -0.153 4.187 4.340 0.000 0.000 0.210 41 L C 2.546 179.525 176.870 0.182 0.000 1.092 41 L CA 0.976 55.920 54.840 0.173 0.000 0.759 41 L CB -0.671 41.453 42.059 0.107 0.000 0.903 41 L HN 0.499 nan 8.230 nan 0.000 0.435 42 L N -0.353 120.966 121.223 0.159 0.000 1.994 42 L HA -0.201 4.140 4.340 0.000 0.000 0.208 42 L C 2.667 179.586 176.870 0.082 0.000 1.071 42 L CA 2.185 57.093 54.840 0.113 0.000 0.745 42 L CB -0.936 41.209 42.059 0.144 0.000 0.892 42 L HN 0.163 nan 8.230 nan 0.000 0.431 43 S N -1.962 113.796 115.700 0.098 0.000 2.442 43 S HA -0.272 4.198 4.470 0.000 0.000 0.236 43 S C 2.112 176.729 174.600 0.029 0.000 1.007 43 S CA 1.383 59.574 58.200 -0.014 0.000 0.965 43 S CB -0.592 62.600 63.200 -0.013 0.000 0.773 43 S HN 0.822 nan 8.310 nan 0.000 0.504 44 H N 0.610 119.702 119.070 0.037 0.000 2.343 44 H HA 0.105 4.661 4.556 0.000 0.000 0.303 44 H C 1.732 177.084 175.328 0.040 0.000 1.068 44 H CA 1.854 57.925 56.048 0.038 0.000 1.359 44 H CB -0.387 29.406 29.762 0.052 0.000 1.402 44 H HN 0.293 nan 8.280 nan 0.000 0.515 45 D N 0.352 120.710 120.400 -0.069 0.000 2.144 45 D HA -0.078 4.562 4.640 0.000 0.000 0.200 45 D C 2.237 178.507 176.300 -0.050 0.000 0.978 45 D CA 1.178 55.164 54.000 -0.025 0.000 0.833 45 D CB -0.579 40.280 40.800 0.098 0.000 0.961 45 D HN 0.523 nan 8.370 nan 0.000 0.470 46 A N 0.940 123.735 122.820 -0.041 0.000 1.869 46 A HA -0.180 4.141 4.320 0.000 0.000 0.218 46 A C 2.424 179.947 177.584 -0.100 0.000 1.203 46 A CA 2.549 54.555 52.037 -0.051 0.000 0.638 46 A CB -1.359 17.599 19.000 -0.071 0.000 0.831 46 A HN 0.322 nan 8.150 nan 0.000 0.450 47 G N -0.802 107.911 108.800 -0.145 0.000 2.485 47 G HA2 -0.208 3.752 3.960 0.000 0.000 0.221 47 G HA3 -0.208 3.752 3.960 0.000 0.000 0.221 47 G C 1.203 175.996 174.900 -0.177 0.000 1.115 47 G CA 0.996 46.005 45.100 -0.150 0.000 0.751 47 G HN 0.717 nan 8.290 nan 0.000 0.567 48 E N -0.187 119.868 120.200 -0.242 0.000 2.445 48 E HA 0.306 4.656 4.350 0.000 0.000 0.189 48 E C 1.724 178.152 176.600 -0.287 0.000 1.069 48 E CA 0.153 56.400 56.400 -0.256 0.000 0.871 48 E CB 0.007 29.534 29.700 -0.288 0.000 0.991 48 E HN 0.408 nan 8.360 nan 0.000 0.481 49 G N 1.496 110.179 108.800 -0.194 0.000 2.175 49 G HA2 -0.236 3.725 3.960 0.000 0.000 0.244 49 G HA3 -0.236 3.725 3.960 0.000 0.000 0.244 49 G C 0.034 174.859 174.900 -0.126 0.000 0.982 49 G CA -0.269 44.738 45.100 -0.155 0.000 0.641 49 G HN 0.357 nan 8.290 nan 0.000 0.527 50 H N 0.610 119.649 119.070 -0.053 0.000 2.819 50 H HA 0.372 4.929 4.556 0.000 0.000 0.303 50 H C 1.840 177.142 175.328 -0.043 0.000 1.058 50 H CA 0.429 56.447 56.048 -0.050 0.000 1.471 50 H CB 1.528 31.249 29.762 -0.068 0.000 1.480 50 H HN 0.019 nan 8.280 nan 0.000 0.517 51 V N 3.578 123.564 119.914 0.120 0.000 2.343 51 V HA -0.208 3.912 4.120 0.000 0.000 0.247 51 V C 1.462 177.569 176.094 0.022 0.000 1.051 51 V CA 1.837 64.192 62.300 0.091 0.000 1.036 51 V CB -0.308 31.588 31.823 0.121 0.000 0.654 51 V HN 0.912 nan 8.190 nan 0.000 0.451 52 C N -1.923 117.299 119.300 -0.130 0.000 3.235 52 C HA 0.765 5.225 4.460 0.000 0.000 0.351 52 C C -0.455 174.368 174.990 -0.278 0.000 1.520 52 C CA -1.107 57.672 59.018 -0.398 0.000 1.474 52 C CB 1.639 28.756 27.740 -1.039 0.000 2.019 52 C HN 0.238 nan 8.230 nan 0.000 0.446 53 L N 1.765 122.810 121.223 -0.296 0.000 2.442 53 L HA 0.486 4.826 4.340 0.000 0.000 0.261 53 L C -2.721 174.031 176.870 -0.197 0.000 1.000 53 L CA -1.480 53.240 54.840 -0.200 0.000 0.882 53 L CB 1.688 43.685 42.059 -0.103 0.000 1.207 53 L HN 0.566 nan 8.230 nan 0.000 0.443 54 P HA -0.067 nan 4.420 nan 0.000 0.258 54 P C 1.174 178.377 177.300 -0.162 0.000 1.172 54 P CA 0.050 63.048 63.100 -0.170 0.000 0.762 54 P CB 0.540 32.135 31.700 -0.176 0.000 0.764 55 L N 2.697 123.847 121.223 -0.122 0.000 2.197 55 L HA -0.227 4.114 4.340 0.000 0.000 0.215 55 L C 2.189 178.923 176.870 -0.228 0.000 1.095 55 L CA 2.576 57.327 54.840 -0.148 0.000 0.764 55 L CB -1.058 40.964 42.059 -0.061 0.000 0.897 55 L HN 0.466 nan 8.230 nan 0.000 0.436 56 S N -0.355 115.241 115.700 -0.174 0.000 2.345 56 S HA -0.253 4.217 4.470 0.000 0.000 0.220 56 S C 2.018 176.489 174.600 -0.215 0.000 1.031 56 S CA 0.755 58.850 58.200 -0.173 0.000 0.996 56 S CB -0.489 62.639 63.200 -0.121 0.000 0.882 56 S HN 0.354 nan 8.310 nan 0.000 0.445 57 R N 0.292 120.654 120.500 -0.230 0.000 2.355 57 R HA 0.168 4.508 4.340 0.000 0.000 0.219 57 R C 1.508 177.640 176.300 -0.279 0.000 1.107 57 R CA 0.798 56.734 56.100 -0.273 0.000 1.021 57 R CB -0.290 29.828 30.300 -0.302 0.000 0.852 57 R HN 0.500 nan 8.270 nan 0.000 0.475 58 L N -0.650 120.364 121.223 -0.348 0.000 2.766 58 L HA 0.177 4.517 4.340 0.000 0.000 0.242 58 L C -0.363 176.055 176.870 -0.754 0.000 1.136 58 L CA 0.136 54.647 54.840 -0.550 0.000 0.933 58 L CB 0.618 42.260 42.059 -0.695 0.000 1.241 58 L HN 0.003 nan 8.230 nan 0.000 0.522 59 E N 0.640 120.541 120.200 -0.499 0.000 2.121 59 E HA 0.159 4.509 4.350 0.000 0.000 0.255 59 E C 0.037 176.521 176.600 -0.193 0.000 0.906 59 E CA -0.239 55.916 56.400 -0.409 0.000 0.745 59 E CB 0.508 30.026 29.700 -0.303 0.000 1.155 59 E HN 0.090 nan 8.360 nan 0.000 0.424 60 N N 1.948 120.566 118.700 -0.138 0.000 2.922 60 N HA -0.277 4.463 4.740 0.000 0.000 0.224 60 N C 0.814 176.305 175.510 -0.031 0.000 0.833 60 N CA 1.314 54.334 53.050 -0.050 0.000 1.103 60 N CB -0.668 37.806 38.487 -0.021 0.000 1.000 60 N HN 0.468 nan 8.380 nan 0.000 0.621 61 N N 1.258 119.934 118.700 -0.040 0.000 2.216 61 N HA -0.104 4.636 4.740 0.000 0.000 0.183 61 N C 1.276 176.840 175.510 0.090 0.000 1.017 61 N CA 1.312 54.379 53.050 0.028 0.000 0.861 61 N CB -0.239 38.273 38.487 0.042 0.000 0.986 61 N HN 0.599 nan 8.380 nan 0.000 0.428 62 E N 1.075 121.303 120.200 0.046 0.000 2.533 62 E HA -0.029 4.321 4.350 0.000 0.000 0.201 62 E C 1.013 177.646 176.600 0.056 0.000 1.097 62 E CA 0.177 56.636 56.400 0.099 0.000 0.887 62 E CB -0.252 29.449 29.700 0.001 0.000 0.855 62 E HN 0.159 nan 8.360 nan 0.000 0.540 63 A N 1.214 124.050 122.820 0.027 0.000 2.209 63 A HA -0.011 4.310 4.320 0.000 0.000 0.212 63 A C 1.522 179.108 177.584 0.004 0.000 1.158 63 A CA 0.880 52.926 52.037 0.015 0.000 0.742 63 A CB -0.089 18.916 19.000 0.010 0.000 0.790 63 A HN 0.319 nan 8.150 nan 0.000 0.472 64 S N -1.830 113.869 115.700 -0.001 0.000 3.025 64 S HA 0.399 4.869 4.470 0.000 0.000 0.251 64 S C 0.031 174.542 174.600 -0.150 0.000 0.954 64 S CA -0.650 57.511 58.200 -0.065 0.000 1.092 64 S CB -0.093 63.053 63.200 -0.091 0.000 1.079 64 S HN 0.509 nan 8.310 nan 0.000 0.543 65 H N 1.279 120.337 119.070 -0.021 0.000 4.267 65 H HA 0.488 5.044 4.556 0.000 0.000 0.428 65 H C -2.708 172.610 175.328 -0.017 0.000 1.393 65 H CA -0.800 55.236 56.048 -0.019 0.000 0.918 65 H CB -0.694 29.049 29.762 -0.033 0.000 1.062 65 H HN -0.006 nan 8.280 nan 0.000 0.785 66 P HA -0.084 nan 4.420 nan 0.000 0.255 66 P C 1.122 178.437 177.300 0.025 0.000 1.132 66 P CA 0.714 63.845 63.100 0.053 0.000 0.766 66 P CB -0.026 31.682 31.700 0.014 0.000 0.715 67 L N 2.084 123.311 121.223 0.007 0.000 2.456 67 L HA -0.170 4.170 4.340 0.000 0.000 0.225 67 L C 1.498 178.362 176.870 -0.009 0.000 1.142 67 L CA 0.997 55.836 54.840 -0.003 0.000 0.796 67 L CB -0.669 41.384 42.059 -0.010 0.000 0.920 67 L HN 0.407 nan 8.230 nan 0.000 0.446 68 L N 0.640 121.858 121.223 -0.007 0.000 2.796 68 L HA 0.163 4.504 4.340 0.000 0.000 0.235 68 L C 1.366 178.250 176.870 0.023 0.000 1.344 68 L CA -0.271 54.570 54.840 0.002 0.000 1.245 68 L CB 0.141 42.203 42.059 0.005 0.000 1.556 68 L HN 0.060 nan 8.230 nan 0.000 0.423 69 A N -0.539 122.292 122.820 0.019 0.000 2.379 69 A HA 0.129 4.449 4.320 0.000 0.000 0.236 69 A C 1.023 178.623 177.584 0.026 0.000 1.272 69 A CA -0.026 52.029 52.037 0.029 0.000 0.886 69 A CB -0.363 18.650 19.000 0.021 0.000 0.962 69 A HN 0.415 nan 8.150 nan 0.000 0.504 70 T N -2.380 112.184 114.554 0.017 0.000 2.743 70 T HA 0.552 4.902 4.350 0.000 0.000 0.293 70 T C -0.541 174.170 174.700 0.019 0.000 0.945 70 T CA -0.669 61.435 62.100 0.008 0.000 1.030 70 T CB 0.445 69.306 68.868 -0.013 0.000 0.912 70 T HN 0.271 nan 8.240 nan 0.000 0.483 71 C N 2.804 122.117 119.300 0.022 0.000 3.302 71 C HA 0.513 4.973 4.460 0.000 0.000 0.347 71 C C 1.038 176.040 174.990 0.020 0.000 1.218 71 C CA -0.312 58.723 59.018 0.027 0.000 1.234 71 C CB 1.354 29.126 27.740 0.052 0.000 1.551 71 C HN 0.948 nan 8.230 nan 0.000 0.501 72 V N -0.344 119.577 119.914 0.013 0.000 3.562 72 V HA 0.247 4.367 4.120 0.000 0.000 0.270 72 V C 1.203 177.297 176.094 0.000 0.000 1.418 72 V CA 1.122 63.424 62.300 0.004 0.000 1.033 72 V CB 0.423 32.242 31.823 -0.007 0.000 0.820 72 V HN 0.703 nan 8.190 nan 0.000 0.441 73 S N 0.522 116.225 115.700 0.006 0.000 2.492 73 S HA 0.099 4.570 4.470 0.000 0.000 0.218 73 S C 1.095 175.721 174.600 0.044 0.000 1.016 73 S CA 0.232 58.429 58.200 -0.005 0.000 0.916 73 S CB -0.131 63.060 63.200 -0.014 0.000 0.791 73 S HN 0.711 nan 8.310 nan 0.000 0.513 74 E N 2.824 123.067 120.200 0.072 0.000 1.795 74 E HA 0.033 4.383 4.350 0.000 0.000 0.261 74 E C -0.851 175.804 176.600 0.092 0.000 1.238 74 E CA -0.172 56.295 56.400 0.113 0.000 1.001 74 E CB -0.308 29.471 29.700 0.132 0.000 1.065 74 E HN 0.436 nan 8.360 nan 0.000 0.418 75 I N 4.907 125.529 120.570 0.088 0.000 2.455 75 I HA 0.130 4.300 4.170 0.000 0.000 0.303 75 I C 1.206 177.365 176.117 0.070 0.000 1.180 75 I CA 0.510 61.849 61.300 0.065 0.000 1.469 75 I CB -0.490 37.547 38.000 0.061 0.000 1.480 75 I HN 0.735 nan 8.210 nan 0.000 0.669 76 G N 5.265 114.109 108.800 0.073 0.000 2.553 76 G HA2 -0.265 3.695 3.960 0.000 0.000 0.242 76 G HA3 -0.265 3.695 3.960 0.000 0.000 0.242 76 G C 0.707 175.682 174.900 0.124 0.000 1.277 76 G CA 0.229 45.376 45.100 0.079 0.000 0.910 76 G HN 0.718 nan 8.290 nan 0.000 0.576 77 E N 0.523 120.799 120.200 0.127 0.000 2.489 77 E HA 0.112 4.463 4.350 0.000 0.000 0.193 77 E C 2.096 178.870 176.600 0.291 0.000 1.057 77 E CA 0.986 57.493 56.400 0.179 0.000 0.866 77 E CB 0.086 29.852 29.700 0.109 0.000 0.916 77 E HN 1.542 nan 8.360 nan 0.000 0.500 78 L N 0.889 122.222 121.223 0.183 0.000 5.276 78 L HA -0.503 3.838 4.340 0.000 0.000 0.452 78 L C 1.677 178.621 176.870 0.122 0.000 1.027 78 L CA 3.246 58.139 54.840 0.088 0.000 0.992 78 L CB -1.791 40.205 42.059 -0.104 0.000 1.651 78 L HN 0.620 nan 8.230 nan 0.000 0.768 79 Q N -2.045 117.904 119.800 0.249 0.000 1.790 79 Q HA -0.427 3.913 4.340 0.000 0.000 0.171 79 Q C 0.769 176.891 176.000 0.202 0.000 2.942 79 Q CA 2.543 58.471 55.803 0.207 0.000 0.220 79 Q CB -1.820 26.980 28.738 0.104 0.000 0.236 79 Q HN 0.725 nan 8.270 nan 0.000 0.361 80 N N 0.110 118.868 118.700 0.096 0.000 2.626 80 N HA -0.060 4.680 4.740 0.000 0.000 0.226 80 N C 0.013 175.535 175.510 0.020 0.000 1.376 80 N CA 0.869 53.944 53.050 0.042 0.000 0.894 80 N CB -0.420 38.056 38.487 -0.018 0.000 1.218 80 N HN 0.382 nan 8.380 nan 0.000 0.492 81 W N 1.395 122.667 121.300 -0.046 0.000 2.335 81 W HA -0.158 4.503 4.660 0.000 0.000 0.311 81 W C 2.325 178.812 176.519 -0.053 0.000 1.213 81 W CA 0.984 58.293 57.345 -0.061 0.000 1.274 81 W CB -0.270 29.162 29.460 -0.046 0.000 1.148 81 W HN 0.318 nan 8.180 nan 0.000 0.498 82 E N 0.168 120.481 120.200 0.189 0.000 2.097 82 E HA -0.326 4.024 4.350 0.000 0.000 0.196 82 E C 2.025 178.642 176.600 0.029 0.000 1.000 82 E CA 1.872 58.332 56.400 0.100 0.000 0.804 82 E CB -0.252 29.496 29.700 0.080 0.000 0.740 82 E HN 0.435 nan 8.360 nan 0.000 0.454 83 E N -0.292 119.908 120.200 -0.001 0.000 2.046 83 E HA -0.179 4.171 4.350 0.000 0.000 0.190 83 E C 2.213 178.762 176.600 -0.085 0.000 0.982 83 E CA 1.103 57.481 56.400 -0.037 0.000 0.800 83 E CB -0.212 29.466 29.700 -0.037 0.000 0.756 83 E HN 0.314 nan 8.360 nan 0.000 0.449 84 C N 0.623 119.825 119.300 -0.164 0.000 2.413 84 C HA -0.153 4.308 4.460 0.000 0.000 0.277 84 C C 2.555 177.428 174.990 -0.194 0.000 1.228 84 C CA 0.769 59.629 59.018 -0.263 0.000 1.731 84 C CB -1.160 26.260 27.740 -0.533 0.000 2.042 84 C HN 0.455 nan 8.230 nan 0.000 0.468 85 L N 0.225 121.357 121.223 -0.152 0.000 1.929 85 L HA -0.236 4.104 4.340 0.000 0.000 0.229 85 L C 2.504 179.342 176.870 -0.053 0.000 1.086 85 L CA 1.835 56.631 54.840 -0.072 0.000 0.798 85 L CB -1.137 40.929 42.059 0.011 0.000 0.898 85 L HN 0.367 nan 8.230 nan 0.000 0.436 86 L N -0.442 120.763 121.223 -0.030 0.000 2.256 86 L HA -0.353 3.987 4.340 0.000 0.000 0.218 86 L C 2.699 179.547 176.870 -0.036 0.000 1.089 86 L CA 1.346 56.169 54.840 -0.028 0.000 0.777 86 L CB -0.847 41.202 42.059 -0.016 0.000 0.890 86 L HN 0.471 nan 8.230 nan 0.000 0.439 87 A N -0.279 122.512 122.820 -0.048 0.000 1.854 87 A HA -0.110 4.210 4.320 0.000 0.000 0.214 87 A C 1.566 179.125 177.584 -0.042 0.000 1.192 87 A CA 1.033 53.043 52.037 -0.044 0.000 0.611 87 A CB -0.551 18.417 19.000 -0.053 0.000 0.832 87 A HN 0.478 nan 8.150 nan 0.000 0.442 88 S N 0.064 115.733 115.700 -0.051 0.000 2.558 88 S HA 0.114 4.584 4.470 0.000 0.000 0.288 88 S C -0.032 174.545 174.600 -0.040 0.000 1.318 88 S CA 0.019 58.191 58.200 -0.045 0.000 1.056 88 S CB 0.425 63.592 63.200 -0.054 0.000 0.853 88 S HN 0.374 nan 8.310 nan 0.000 0.505 89 Q N 2.148 121.926 119.800 -0.037 0.000 2.769 89 Q HA 0.488 4.828 4.340 0.000 0.000 0.375 89 Q C 0.164 176.143 176.000 -0.036 0.000 0.996 89 Q CA -0.030 55.752 55.803 -0.035 0.000 1.042 89 Q CB 0.707 29.427 28.738 -0.030 0.000 1.329 89 Q HN 0.887 nan 8.270 nan 0.000 0.427 90 A N -0.250 122.547 122.820 -0.038 0.000 2.600 90 A HA 0.377 4.697 4.320 0.000 0.000 0.252 90 A C 0.237 177.809 177.584 -0.020 0.000 1.200 90 A CA -0.041 51.975 52.037 -0.035 0.000 0.981 90 A CB 0.814 19.778 19.000 -0.060 0.000 1.207 90 A HN 0.174 nan 8.150 nan 0.000 0.577 91 V N -1.152 118.745 119.914 -0.029 0.000 2.760 91 V HA 0.892 5.012 4.120 0.000 0.000 0.309 91 V C -0.579 175.483 176.094 -0.053 0.000 1.077 91 V CA -0.202 62.079 62.300 -0.033 0.000 0.910 91 V CB 1.157 32.971 31.823 -0.014 0.000 1.008 91 V HN 0.673 nan 8.190 nan 0.000 0.424 92 S N 2.835 118.484 115.700 -0.085 0.000 2.607 92 S HA 0.600 5.070 4.470 0.000 0.000 0.273 92 S C 0.255 174.775 174.600 -0.133 0.000 1.148 92 S CA -1.032 57.111 58.200 -0.095 0.000 0.833 92 S CB 2.269 65.406 63.200 -0.105 0.000 1.130 92 S HN 0.724 nan 8.310 nan 0.000 0.470 93 R N 0.208 120.646 120.500 -0.103 0.000 2.237 93 R HA 0.196 4.536 4.340 0.000 0.000 0.219 93 R C 1.428 177.607 176.300 -0.202 0.000 1.080 93 R CA 1.175 57.214 56.100 -0.101 0.000 0.995 93 R CB -0.315 29.965 30.300 -0.033 0.000 0.875 93 R HN 1.101 nan 8.270 nan 0.000 0.462 94 G N 0.168 108.819 108.800 -0.247 0.000 2.559 94 G HA2 -0.215 3.745 3.960 0.000 0.000 0.202 94 G HA3 -0.215 3.745 3.960 0.000 0.000 0.202 94 G C 0.245 175.057 174.900 -0.147 0.000 0.992 94 G CA 0.173 45.042 45.100 -0.385 0.000 0.764 94 G HN 0.389 nan 8.290 nan 0.000 0.525 95 D N 0.833 121.186 120.400 -0.079 0.000 2.092 95 D HA 0.063 4.703 4.640 0.000 0.000 0.203 95 D C 1.120 177.400 176.300 -0.033 0.000 0.978 95 D CA 1.211 55.196 54.000 -0.025 0.000 0.861 95 D CB -0.056 40.735 40.800 -0.015 0.000 1.005 95 D HN 0.554 nan 8.370 nan 0.000 0.450 96 E N 0.584 120.758 120.200 -0.044 0.000 2.437 96 E HA 0.165 4.515 4.350 0.000 0.000 0.263 96 E C -2.182 174.390 176.600 -0.046 0.000 1.030 96 E CA -1.051 55.328 56.400 -0.036 0.000 0.934 96 E CB 0.400 30.078 29.700 -0.037 0.000 0.943 96 E HN 0.273 nan 8.360 nan 0.000 0.444 97 P HA 0.086 nan 4.420 nan 0.000 0.276 97 P C -1.161 176.122 177.300 -0.028 0.000 1.243 97 P CA 0.185 63.274 63.100 -0.018 0.000 0.768 97 P CB 0.949 32.650 31.700 0.001 0.000 0.856 98 T N 4.610 119.139 114.554 -0.041 0.000 2.923 98 T HA 0.284 4.634 4.350 0.000 0.000 0.311 98 T C -1.900 172.801 174.700 0.000 0.000 1.183 98 T CA -1.137 60.944 62.100 -0.032 0.000 1.020 98 T CB 1.847 70.676 68.868 -0.066 0.000 1.165 98 T HN 0.112 nan 8.240 nan 0.000 0.482 99 P HA -0.087 nan 4.420 nan 0.000 0.216 99 P C 0.195 177.572 177.300 0.128 0.000 1.153 99 P CA 1.432 64.608 63.100 0.127 0.000 0.858 99 P CB 0.172 31.974 31.700 0.170 0.000 0.789 100 M N -0.699 118.945 119.600 0.074 0.000 2.598 100 M HA 0.430 4.910 4.480 0.000 0.000 0.317 100 M C -0.394 175.870 176.300 -0.062 0.000 1.179 100 M CA -0.895 54.439 55.300 0.057 0.000 0.936 100 M CB 2.633 35.293 32.600 0.101 0.000 1.713 100 M HN -0.311 nan 8.290 nan 0.000 0.460 101 I N 2.930 123.450 120.570 -0.083 0.000 2.533 101 I HA 0.366 4.537 4.170 0.000 0.000 0.290 101 I C -1.101 174.981 176.117 -0.060 0.000 1.056 101 I CA -0.642 60.489 61.300 -0.282 0.000 1.057 101 I CB 1.825 39.307 38.000 -0.865 0.000 1.240 101 I HN 0.559 nan 8.210 nan 0.000 0.423 102 L N 6.985 128.169 121.223 -0.065 0.000 2.360 102 L HA 0.427 4.767 4.340 0.000 0.000 0.265 102 L C -0.624 176.291 176.870 0.074 0.000 1.066 102 L CA 0.013 54.889 54.840 0.058 0.000 0.929 102 L CB 0.646 42.728 42.059 0.038 0.000 1.306 102 L HN 0.741 nan 8.230 nan 0.000 0.434 103 C N 4.966 124.386 119.300 0.201 0.000 2.344 103 C HA 0.897 5.357 4.460 0.000 0.000 0.326 103 C C 0.729 175.898 174.990 0.298 0.000 1.201 103 C CA 0.669 59.835 59.018 0.246 0.000 1.410 103 C CB -0.774 27.205 27.740 0.398 0.000 2.070 103 C HN 1.186 nan 8.230 nan 0.000 0.445 104 G N 5.718 114.631 108.800 0.187 0.000 2.445 104 G HA2 -0.107 3.853 3.960 0.000 0.000 0.212 104 G HA3 -0.107 3.853 3.960 0.000 0.000 0.212 104 G C -0.517 174.453 174.900 0.117 0.000 1.217 104 G CA 0.208 45.397 45.100 0.149 0.000 1.002 104 G HN 0.586 nan 8.290 nan 0.000 0.574 105 D N 0.805 121.255 120.400 0.084 0.000 3.008 105 D HA 0.545 5.185 4.640 0.000 0.000 0.312 105 D C 0.495 176.814 176.300 0.030 0.000 1.361 105 D CA -0.117 53.916 54.000 0.054 0.000 0.858 105 D CB 0.346 41.163 40.800 0.028 0.000 1.098 105 D HN 0.415 nan 8.370 nan 0.000 0.482 106 R N 0.220 120.765 120.500 0.075 0.000 2.562 106 R HA 0.582 4.922 4.340 0.000 0.000 0.298 106 R C -1.305 175.023 176.300 0.047 0.000 0.961 106 R CA -0.808 55.289 56.100 -0.005 0.000 0.881 106 R CB 1.537 31.841 30.300 0.007 0.000 1.159 106 R HN 0.037 nan 8.270 nan 0.000 0.450 107 L N 3.795 124.972 121.223 -0.078 0.000 2.295 107 L HA 0.513 4.853 4.340 0.000 0.000 0.285 107 L C -1.501 175.323 176.870 -0.076 0.000 1.035 107 L CA -0.237 54.616 54.840 0.021 0.000 0.806 107 L CB 0.764 42.846 42.059 0.039 0.000 1.214 107 L HN 0.559 nan 8.230 nan 0.000 0.426 108 Y N 3.792 124.115 120.300 0.039 0.000 2.536 108 Y HA 0.516 5.067 4.550 0.000 0.000 0.347 108 Y C -0.520 175.408 175.900 0.047 0.000 1.000 108 Y CA -0.785 57.353 58.100 0.062 0.000 1.051 108 Y CB 1.842 40.371 38.460 0.114 0.000 1.259 108 Y HN 0.344 nan 8.280 nan 0.000 0.468 109 L N 2.140 123.507 121.223 0.239 0.000 2.281 109 L HA 0.190 4.530 4.340 0.000 0.000 0.285 109 L C 1.264 178.232 176.870 0.164 0.000 1.074 109 L CA 0.018 54.939 54.840 0.134 0.000 0.817 109 L CB 0.860 42.935 42.059 0.027 0.000 1.168 109 L HN 0.837 nan 8.230 nan 0.000 0.434 110 N N 2.594 121.358 118.700 0.107 0.000 2.073 110 N HA -0.298 4.443 4.740 0.000 0.000 0.199 110 N C 1.815 177.423 175.510 0.164 0.000 1.023 110 N CA 2.079 55.183 53.050 0.090 0.000 0.880 110 N CB 0.113 38.625 38.487 0.041 0.000 1.052 110 N HN 0.520 nan 8.380 nan 0.000 0.449 111 R N -0.678 119.893 120.500 0.119 0.000 2.112 111 R HA -0.190 4.150 4.340 0.000 0.000 0.242 111 R C 2.296 178.682 176.300 0.144 0.000 1.137 111 R CA 2.084 58.251 56.100 0.111 0.000 0.944 111 R CB -0.221 30.116 30.300 0.062 0.000 0.857 111 R HN 0.369 nan 8.270 nan 0.000 0.435 112 M N -1.063 118.642 119.600 0.176 0.000 2.082 112 M HA -0.259 4.221 4.480 0.000 0.000 0.258 112 M C 2.095 178.531 176.300 0.227 0.000 1.071 112 M CA 1.518 56.950 55.300 0.219 0.000 1.103 112 M CB -1.372 31.416 32.600 0.312 0.000 1.307 112 M HN 0.363 nan 8.290 nan 0.000 0.409 113 W N 0.343 121.620 121.300 -0.038 0.000 2.331 113 W HA -0.233 4.427 4.660 0.000 0.000 0.291 113 W C 2.408 178.807 176.519 -0.199 0.000 1.214 113 W CA 1.432 58.550 57.345 -0.378 0.000 1.228 113 W CB -0.204 28.936 29.460 -0.533 0.000 1.135 113 W HN 0.247 nan 8.180 nan 0.000 0.537 114 C N -0.237 119.198 119.300 0.225 0.000 2.476 114 C HA -0.100 4.360 4.460 0.000 0.000 0.278 114 C C 2.490 177.433 174.990 -0.079 0.000 1.274 114 C CA 1.518 60.569 59.018 0.055 0.000 1.713 114 C CB -1.505 26.335 27.740 0.167 0.000 2.039 114 C HN 0.411 nan 8.230 nan 0.000 0.484 115 N N 0.137 118.834 118.700 -0.006 0.000 2.149 115 N HA -0.173 4.568 4.740 0.000 0.000 0.188 115 N C 1.763 177.235 175.510 -0.063 0.000 1.019 115 N CA 1.072 54.111 53.050 -0.019 0.000 0.857 115 N CB -0.083 38.420 38.487 0.027 0.000 0.997 115 N HN 0.617 nan 8.380 nan 0.000 0.426 116 E N 0.958 121.099 120.200 -0.099 0.000 2.001 116 E HA -0.161 4.189 4.350 0.000 0.000 0.195 116 E C 1.988 178.452 176.600 -0.226 0.000 1.002 116 E CA 0.995 57.314 56.400 -0.136 0.000 0.819 116 E CB 0.059 29.663 29.700 -0.159 0.000 0.769 116 E HN 0.240 nan 8.360 nan 0.000 0.454 117 R N -0.165 120.087 120.500 -0.414 0.000 2.178 117 R HA -0.201 4.140 4.340 0.000 0.000 0.257 117 R C 2.412 178.576 176.300 -0.227 0.000 1.163 117 R CA 1.928 57.774 56.100 -0.423 0.000 0.981 117 R CB -0.649 29.252 30.300 -0.665 0.000 0.878 117 R HN 0.210 nan 8.270 nan 0.000 0.454 118 T N 0.309 114.759 114.554 -0.174 0.000 2.788 118 T HA -0.078 4.272 4.350 0.000 0.000 0.268 118 T C 1.870 176.550 174.700 -0.035 0.000 1.044 118 T CA 1.325 63.366 62.100 -0.100 0.000 1.139 118 T CB -0.006 68.808 68.868 -0.090 0.000 0.867 118 T HN 0.049 nan 8.240 nan 0.000 0.454 119 V N 1.257 121.172 119.914 0.002 0.000 2.488 119 V HA -0.010 4.110 4.120 0.000 0.000 0.246 119 V C 2.791 179.068 176.094 0.305 0.000 1.046 119 V CA 1.301 63.708 62.300 0.178 0.000 1.053 119 V CB -1.083 30.858 31.823 0.197 0.000 0.679 119 V HN 0.474 nan 8.190 nan 0.000 0.458 120 A N 0.389 123.235 122.820 0.042 0.000 1.858 120 A HA -0.258 4.062 4.320 0.000 0.000 0.216 120 A C 2.330 180.010 177.584 0.160 0.000 1.190 120 A CA 2.131 54.145 52.037 -0.039 0.000 0.617 120 A CB -0.577 18.226 19.000 -0.328 0.000 0.827 120 A HN 0.421 nan 8.150 nan 0.000 0.443 121 R N -1.449 119.089 120.500 0.063 0.000 2.119 121 R HA -0.157 4.183 4.340 0.000 0.000 0.246 121 R C 1.918 178.330 176.300 0.186 0.000 1.146 121 R CA 1.897 58.050 56.100 0.088 0.000 0.962 121 R CB -0.667 29.648 30.300 0.024 0.000 0.863 121 R HN 0.663 nan 8.270 nan 0.000 0.442 122 F N -0.758 119.179 119.950 -0.021 0.000 2.095 122 F HA -0.226 4.301 4.527 0.000 0.000 0.298 122 F C 1.081 176.767 175.800 -0.190 0.000 1.104 122 F CA 1.080 58.972 58.000 -0.179 0.000 1.232 122 F CB 0.003 38.764 39.000 -0.399 0.000 0.987 122 F HN 0.019 nan 8.300 nan 0.000 0.475 123 F N -0.276 119.809 119.950 0.225 0.000 2.797 123 F HA 0.075 4.602 4.527 0.000 0.000 0.302 123 F C 0.467 176.325 175.800 0.096 0.000 1.130 123 F CA 0.079 58.133 58.000 0.091 0.000 1.387 123 F CB -0.223 38.888 39.000 0.186 0.000 1.107 123 F HN -0.092 nan 8.300 nan 0.000 0.577 124 N N 0.571 119.417 118.700 0.243 0.000 2.599 124 N HA 0.032 4.773 4.740 0.000 0.000 0.309 124 N C 0.700 176.260 175.510 0.084 0.000 1.743 124 N CA 0.244 53.388 53.050 0.156 0.000 0.918 124 N CB 0.419 39.008 38.487 0.170 0.000 1.339 124 N HN 0.304 nan 8.380 nan 0.000 0.493 125 E N -0.265 119.963 120.200 0.047 0.000 2.534 125 E HA -0.003 4.347 4.350 0.000 0.000 0.179 125 E C -0.786 175.797 176.600 -0.028 0.000 0.916 125 E CA 0.148 56.561 56.400 0.021 0.000 1.354 125 E CB 0.329 30.057 29.700 0.046 0.000 1.321 125 E HN -0.077 nan 8.360 nan 0.000 0.663 126 V N 3.424 123.292 119.914 -0.076 0.000 2.673 126 V HA 0.110 4.230 4.120 0.000 0.000 0.303 126 V C 0.533 176.609 176.094 -0.031 0.000 1.046 126 V CA 0.367 62.596 62.300 -0.118 0.000 1.126 126 V CB 0.007 31.762 31.823 -0.113 0.000 0.934 126 V HN 0.363 nan 8.190 nan 0.000 0.487 127 N N 1.552 120.241 118.700 -0.018 0.000 2.671 127 N HA 0.358 5.098 4.740 0.000 0.000 0.303 127 N C -0.372 175.182 175.510 0.073 0.000 1.277 127 N CA -0.960 52.113 53.050 0.038 0.000 0.933 127 N CB 0.528 39.039 38.487 0.040 0.000 1.190 127 N HN 0.858 nan 8.380 nan 0.000 0.600 128 H N -0.960 118.099 119.070 -0.017 0.000 2.527 128 H HA 0.498 5.054 4.556 0.000 0.000 0.321 128 H C -0.887 174.432 175.328 -0.015 0.000 1.087 128 H CA -0.987 55.051 56.048 -0.016 0.000 1.337 128 H CB 0.634 30.387 29.762 -0.014 0.000 1.440 128 H HN 0.750 nan 8.280 nan 0.000 0.490 129 A N 5.592 128.301 122.820 -0.185 0.000 2.473 129 A HA 0.132 4.452 4.320 0.000 0.000 0.282 129 A C 1.042 178.315 177.584 -0.518 0.000 1.163 129 A CA -0.540 51.345 52.037 -0.254 0.000 0.827 129 A CB -0.836 18.094 19.000 -0.116 0.000 1.098 129 A HN 0.718 nan 8.150 nan 0.000 0.515 130 I N 1.813 121.957 120.570 -0.710 0.000 2.700 130 I HA -0.162 4.008 4.170 0.000 0.000 0.261 130 I C 1.551 177.534 176.117 -0.224 0.000 1.219 130 I CA 0.796 61.693 61.300 -0.672 0.000 1.463 130 I CB -0.798 37.015 38.000 -0.310 0.000 1.092 130 I HN 0.768 nan 8.210 nan 0.000 0.452 131 E N 1.917 122.015 120.200 -0.170 0.000 2.413 131 E HA -0.032 4.318 4.350 0.000 0.000 0.277 131 E C 0.446 177.017 176.600 -0.049 0.000 1.114 131 E CA -0.197 56.155 56.400 -0.081 0.000 1.111 131 E CB 0.058 29.718 29.700 -0.067 0.000 1.066 131 E HN 0.294 nan 8.360 nan 0.000 0.454 132 V N 2.357 122.257 119.914 -0.023 0.000 3.458 132 V HA -0.024 4.096 4.120 0.000 0.000 0.166 132 V C 0.684 176.777 176.094 -0.001 0.000 1.224 132 V CA 0.470 62.773 62.300 0.005 0.000 1.448 132 V CB -0.127 31.723 31.823 0.046 0.000 1.279 132 V HN 0.782 nan 8.190 nan 0.000 0.446 133 D N -0.110 120.292 120.400 0.004 0.000 2.746 133 D HA -0.176 4.465 4.640 0.000 0.000 0.241 133 D C 1.173 177.469 176.300 -0.005 0.000 1.140 133 D CA 0.891 54.890 54.000 -0.001 0.000 0.707 133 D CB -0.763 40.035 40.800 -0.004 0.000 1.034 133 D HN 0.737 nan 8.370 nan 0.000 0.423 134 E N 0.147 120.343 120.200 -0.006 0.000 2.147 134 E HA -0.302 4.048 4.350 0.000 0.000 0.199 134 E C 2.248 178.838 176.600 -0.016 0.000 1.005 134 E CA 1.449 57.840 56.400 -0.015 0.000 0.810 134 E CB -0.250 29.438 29.700 -0.020 0.000 0.736 134 E HN 0.614 nan 8.360 nan 0.000 0.460 135 A N 1.765 124.577 122.820 -0.012 0.000 1.884 135 A HA -0.234 4.086 4.320 0.000 0.000 0.219 135 A C 2.268 179.847 177.584 -0.008 0.000 1.197 135 A CA 1.864 53.894 52.037 -0.011 0.000 0.637 135 A CB -0.687 18.308 19.000 -0.008 0.000 0.827 135 A HN 0.275 nan 8.150 nan 0.000 0.450 136 L N -0.926 120.293 121.223 -0.006 0.000 2.072 136 L HA 0.023 4.363 4.340 0.000 0.000 0.205 136 L C 2.258 179.127 176.870 -0.001 0.000 1.079 136 L CA 1.518 56.356 54.840 -0.003 0.000 0.752 136 L CB -0.367 41.691 42.059 -0.003 0.000 0.906 136 L HN 0.447 nan 8.230 nan 0.000 0.436 137 L N -0.467 120.753 121.223 -0.005 0.000 1.989 137 L HA -0.224 4.116 4.340 0.000 0.000 0.211 137 L C 2.585 179.452 176.870 -0.005 0.000 1.071 137 L CA 1.726 56.563 54.840 -0.005 0.000 0.749 137 L CB -0.624 41.426 42.059 -0.015 0.000 0.890 137 L HN 0.430 nan 8.230 nan 0.000 0.431 138 A N -0.502 122.309 122.820 -0.015 0.000 1.917 138 A HA -0.312 4.008 4.320 0.000 0.000 0.219 138 A C 2.039 179.622 177.584 -0.001 0.000 1.182 138 A CA 2.113 54.139 52.037 -0.019 0.000 0.633 138 A CB -0.566 18.419 19.000 -0.026 0.000 0.819 138 A HN 0.678 nan 8.150 nan 0.000 0.448 139 Q N -0.949 118.853 119.800 0.004 0.000 2.079 139 Q HA -0.122 4.218 4.340 0.000 0.000 0.200 139 Q C 2.310 178.325 176.000 0.025 0.000 0.974 139 Q CA 1.902 57.712 55.803 0.011 0.000 0.840 139 Q CB -0.553 28.189 28.738 0.007 0.000 0.898 139 Q HN 0.889 nan 8.270 nan 0.000 0.430 140 T N -0.961 113.609 114.554 0.027 0.000 2.962 140 T HA -0.031 4.319 4.350 0.000 0.000 0.270 140 T C 1.802 176.550 174.700 0.080 0.000 1.088 140 T CA 0.654 62.778 62.100 0.041 0.000 1.127 140 T CB -0.122 68.766 68.868 0.034 0.000 0.883 140 T HN 0.117 nan 8.240 nan 0.000 0.493 141 L N 0.286 121.560 121.223 0.086 0.000 2.168 141 L HA 0.109 4.450 4.340 0.000 0.000 0.203 141 L C 2.845 179.828 176.870 0.189 0.000 1.078 141 L CA 0.989 55.926 54.840 0.162 0.000 0.780 141 L CB -0.463 41.620 42.059 0.039 0.000 0.939 141 L HN 0.159 nan 8.230 nan 0.000 0.451 142 D N 0.937 121.391 120.400 0.090 0.000 2.123 142 D HA -0.185 4.456 4.640 0.000 0.000 0.196 142 D C 1.987 178.340 176.300 0.088 0.000 0.992 142 D CA 1.315 55.361 54.000 0.077 0.000 0.833 142 D CB 0.151 40.971 40.800 0.033 0.000 0.954 142 D HN 0.243 nan 8.370 nan 0.000 0.455 143 K N -0.231 120.209 120.400 0.067 0.000 2.365 143 K HA 0.015 4.336 4.320 0.000 0.000 0.199 143 K C 1.879 178.491 176.600 0.019 0.000 1.045 143 K CA 0.319 56.628 56.287 0.037 0.000 0.962 143 K CB 0.322 32.834 32.500 0.021 0.000 0.759 143 K HN 0.198 nan 8.250 nan 0.000 0.469 144 L N -0.727 120.531 121.223 0.058 0.000 2.556 144 L HA 0.195 4.535 4.340 0.000 0.000 0.226 144 L C -0.266 176.411 176.870 -0.322 0.000 1.089 144 L CA -0.062 54.717 54.840 -0.102 0.000 0.864 144 L CB 0.512 42.540 42.059 -0.052 0.000 1.067 144 L HN -0.025 nan 8.230 nan 0.000 0.477 145 F N -0.201 119.745 119.950 -0.007 0.000 2.577 145 F HA 0.350 4.877 4.527 0.000 0.000 0.344 145 F C -1.967 173.828 175.800 -0.008 0.000 1.145 145 F CA -1.800 56.196 58.000 -0.006 0.000 0.996 145 F CB 1.131 40.125 39.000 -0.010 0.000 1.248 145 F HN -0.241 nan 8.300 nan 0.000 0.447 146 P HA -0.024 nan 4.420 nan 0.000 0.215 146 P C 1.139 178.479 177.300 0.067 0.000 1.157 146 P CA 0.723 63.862 63.100 0.064 0.000 0.869 146 P CB 0.438 32.152 31.700 0.024 0.000 0.781 147 V N 1.569 121.528 119.914 0.075 0.000 3.515 147 V HA -0.059 4.061 4.120 0.000 0.000 0.298 147 V C 1.431 177.568 176.094 0.071 0.000 1.206 147 V CA 1.425 63.768 62.300 0.071 0.000 1.253 147 V CB -2.191 29.677 31.823 0.075 0.000 1.035 147 V HN 0.226 nan 8.190 nan 0.000 0.428 148 S N -0.178 115.560 115.700 0.064 0.000 2.803 148 S HA -0.111 4.359 4.470 0.000 0.000 0.226 148 S C 1.271 175.871 174.600 0.001 0.000 0.962 148 S CA 0.585 58.800 58.200 0.024 0.000 0.968 148 S CB -0.600 62.608 63.200 0.013 0.000 0.786 148 S HN 0.838 nan 8.310 nan 0.000 0.527 149 D N 1.026 121.438 120.400 0.020 0.000 2.117 149 D HA -0.100 4.540 4.640 0.000 0.000 0.198 149 D C 0.946 177.249 176.300 0.005 0.000 0.982 149 D CA 0.855 54.864 54.000 0.014 0.000 0.828 149 D CB -0.170 40.649 40.800 0.031 0.000 0.967 149 D HN 0.360 nan 8.370 nan 0.000 0.464 150 E N 0.797 121.007 120.200 0.016 0.000 2.101 150 E HA 0.191 4.541 4.350 0.000 0.000 0.260 150 E C -0.275 176.311 176.600 -0.022 0.000 0.897 150 E CA -1.099 55.306 56.400 0.009 0.000 0.744 150 E CB 0.627 30.352 29.700 0.042 0.000 1.140 150 E HN 0.331 nan 8.360 nan 0.000 0.419 151 I N 4.511 125.030 120.570 -0.086 0.000 2.790 151 I HA -0.323 3.847 4.170 0.000 0.000 0.152 151 I C -0.517 175.454 176.117 -0.242 0.000 0.895 151 I CA 0.856 62.019 61.300 -0.230 0.000 2.734 151 I CB 0.217 38.029 38.000 -0.313 0.000 0.603 151 I HN 0.367 nan 8.210 nan 0.000 0.353 152 N N 7.362 125.908 118.700 -0.255 0.000 2.500 152 N HA 0.120 4.860 4.740 0.000 0.000 0.236 152 N C 0.272 175.645 175.510 -0.229 0.000 1.022 152 N CA -0.329 52.640 53.050 -0.134 0.000 0.935 152 N CB 0.362 38.808 38.487 -0.068 0.000 1.147 152 N HN 0.693 nan 8.380 nan 0.000 0.512 153 W N 1.839 123.142 121.300 0.004 0.000 2.392 153 W HA -0.070 4.590 4.660 0.000 0.000 0.279 153 W C 1.968 178.470 176.519 -0.028 0.000 1.225 153 W CA 0.350 57.693 57.345 -0.003 0.000 1.233 153 W CB 0.278 29.755 29.460 0.028 0.000 1.122 153 W HN 0.582 nan 8.180 nan 0.000 0.561 154 Q N 0.169 120.073 119.800 0.174 0.000 2.172 154 Q HA -0.168 4.172 4.340 0.000 0.000 0.200 154 Q C 2.059 177.910 176.000 -0.247 0.000 0.964 154 Q CA 1.076 56.953 55.803 0.125 0.000 0.855 154 Q CB -0.316 28.608 28.738 0.309 0.000 0.918 154 Q HN 0.331 nan 8.270 nan 0.000 0.444 155 K N 0.687 120.775 120.400 -0.520 0.000 2.103 155 K HA -0.101 4.219 4.320 0.000 0.000 0.204 155 K C 1.980 178.265 176.600 -0.526 0.000 1.052 155 K CA 0.783 56.446 56.287 -1.041 0.000 0.945 155 K CB 0.180 32.222 32.500 -0.764 0.000 0.722 155 K HN -0.010 nan 8.250 nan 0.000 0.443 156 V N 1.557 121.287 119.914 -0.307 0.000 2.237 156 V HA -0.288 3.832 4.120 0.000 0.000 0.245 156 V C 2.424 178.479 176.094 -0.065 0.000 1.046 156 V CA 1.998 64.181 62.300 -0.194 0.000 1.007 156 V CB -1.075 30.657 31.823 -0.151 0.000 0.638 156 V HN 0.494 nan 8.190 nan 0.000 0.445 157 A N 0.478 123.333 122.820 0.059 0.000 1.882 157 A HA -0.368 3.952 4.320 0.000 0.000 0.220 157 A C 2.472 180.069 177.584 0.022 0.000 1.253 157 A CA 3.615 55.707 52.037 0.092 0.000 0.664 157 A CB -1.412 17.657 19.000 0.115 0.000 0.838 157 A HN 0.755 nan 8.150 nan 0.000 0.460 158 A N -0.627 122.170 122.820 -0.038 0.000 1.881 158 A HA -0.030 4.291 4.320 0.000 0.000 0.219 158 A C 2.622 180.180 177.584 -0.045 0.000 1.215 158 A CA 3.378 55.399 52.037 -0.028 0.000 0.648 158 A CB -1.420 17.540 19.000 -0.066 0.000 0.832 158 A HN 1.553 nan 8.150 nan 0.000 0.455 159 A N -0.938 121.817 122.820 -0.108 0.000 1.948 159 A HA -0.024 4.296 4.320 0.000 0.000 0.220 159 A C 2.255 179.806 177.584 -0.056 0.000 1.177 159 A CA 2.087 54.068 52.037 -0.093 0.000 0.636 159 A CB -1.064 17.849 19.000 -0.146 0.000 0.815 159 A HN 0.484 nan 8.150 nan 0.000 0.449 160 V N -0.195 119.700 119.914 -0.032 0.000 2.216 160 V HA -0.257 3.863 4.120 0.000 0.000 0.243 160 V C 3.064 179.175 176.094 0.029 0.000 1.044 160 V CA 2.115 64.427 62.300 0.020 0.000 0.995 160 V CB -1.572 30.320 31.823 0.115 0.000 0.633 160 V HN 0.631 nan 8.190 nan 0.000 0.446 161 A N 0.019 122.863 122.820 0.040 0.000 1.940 161 A HA -0.240 4.080 4.320 0.000 0.000 0.221 161 A C 2.105 179.694 177.584 0.007 0.000 1.190 161 A CA 2.332 54.387 52.037 0.030 0.000 0.647 161 A CB -0.847 18.175 19.000 0.037 0.000 0.821 161 A HN 0.577 nan 8.150 nan 0.000 0.457 162 L N -0.120 121.103 121.223 0.001 0.000 2.622 162 L HA -0.027 4.313 4.340 0.000 0.000 0.233 162 L C 1.755 178.615 176.870 -0.016 0.000 1.156 162 L CA 1.238 56.073 54.840 -0.008 0.000 0.866 162 L CB -0.470 41.586 42.059 -0.004 0.000 0.980 162 L HN 0.643 nan 8.230 nan 0.000 0.448 163 T N -4.288 110.260 114.554 -0.009 0.000 3.182 163 T HA 0.293 4.644 4.350 0.000 0.000 0.277 163 T C 0.579 175.285 174.700 0.010 0.000 1.013 163 T CA -0.510 61.589 62.100 -0.002 0.000 0.900 163 T CB 0.352 69.228 68.868 0.013 0.000 1.098 163 T HN -0.011 nan 8.240 nan 0.000 0.543 164 R N 0.326 120.825 120.500 -0.002 0.000 2.740 164 R HA 0.493 4.834 4.340 0.000 0.000 0.273 164 R C 0.513 176.791 176.300 -0.036 0.000 0.998 164 R CA -0.793 55.306 56.100 -0.003 0.000 0.900 164 R CB 1.870 32.182 30.300 0.021 0.000 1.223 164 R HN 0.009 nan 8.270 nan 0.000 0.466 165 R N 0.792 121.256 120.500 -0.060 0.000 2.062 165 R HA 0.154 4.494 4.340 0.000 0.000 0.229 165 R C 0.206 176.426 176.300 -0.132 0.000 1.128 165 R CA 1.265 57.308 56.100 -0.095 0.000 0.960 165 R CB 0.229 30.464 30.300 -0.108 0.000 0.855 165 R HN 0.437 nan 8.270 nan 0.000 0.432 166 I N 0.760 121.230 120.570 -0.167 0.000 2.474 166 I HA 0.166 4.337 4.170 0.000 0.000 0.294 166 I C -0.790 175.328 176.117 0.001 0.000 1.005 166 I CA -0.442 60.751 61.300 -0.178 0.000 1.113 166 I CB 2.217 39.918 38.000 -0.499 0.000 1.289 166 I HN 0.105 nan 8.210 nan 0.000 0.436 167 S N 4.303 120.053 115.700 0.084 0.000 2.543 167 S HA 0.723 5.193 4.470 0.000 0.000 0.271 167 S C -1.124 173.632 174.600 0.259 0.000 1.148 167 S CA -0.849 57.445 58.200 0.156 0.000 0.914 167 S CB 1.613 64.862 63.200 0.081 0.000 1.096 167 S HN 0.218 nan 8.310 nan 0.000 0.471 168 V N 3.340 123.406 119.914 0.253 0.000 2.417 168 V HA 0.533 4.653 4.120 0.000 0.000 0.291 168 V C -0.820 175.356 176.094 0.136 0.000 1.024 168 V CA -0.714 61.732 62.300 0.244 0.000 0.861 168 V CB 1.299 33.221 31.823 0.165 0.000 0.985 168 V HN 0.852 nan 8.190 nan 0.000 0.436 169 I N 3.889 124.538 120.570 0.132 0.000 2.382 169 I HA 0.398 4.568 4.170 0.000 0.000 0.285 169 I C 0.224 176.378 176.117 0.062 0.000 1.007 169 I CA 0.040 61.394 61.300 0.091 0.000 1.142 169 I CB 1.434 39.492 38.000 0.096 0.000 1.289 169 I HN 0.640 nan 8.210 nan 0.000 0.453 170 S N 4.702 120.412 115.700 0.016 0.000 2.475 170 S HA 0.928 5.398 4.470 0.000 0.000 0.298 170 S C -0.214 174.374 174.600 -0.019 0.000 1.119 170 S CA -0.291 57.902 58.200 -0.011 0.000 1.085 170 S CB 1.585 64.751 63.200 -0.056 0.000 1.028 170 S HN 0.937 nan 8.310 nan 0.000 0.489 171 G N 1.862 110.658 108.800 -0.006 0.000 2.673 171 G HA2 0.607 4.567 3.960 0.000 0.000 0.292 171 G HA3 0.607 4.567 3.960 0.000 0.000 0.292 171 G C -0.177 174.733 174.900 0.017 0.000 1.450 171 G CA -0.272 44.826 45.100 -0.003 0.000 0.837 171 G HN 1.006 nan 8.290 nan 0.000 0.505 172 G N -0.452 108.363 108.800 0.025 0.000 2.588 172 G HA2 0.525 4.485 3.960 0.000 0.000 0.281 172 G HA3 0.525 4.485 3.960 0.000 0.000 0.281 172 G C -1.241 173.684 174.900 0.042 0.000 1.236 172 G CA -0.931 44.212 45.100 0.072 0.000 0.969 172 G HN 0.392 nan 8.290 nan 0.000 0.504 173 P HA 0.062 nan 4.420 nan 0.000 0.222 173 P C 1.654 178.946 177.300 -0.014 0.000 1.153 173 P CA 1.045 64.138 63.100 -0.012 0.000 0.798 173 P CB 0.246 31.914 31.700 -0.053 0.000 0.796 174 G N -0.966 107.830 108.800 -0.006 0.000 3.061 174 G HA2 0.001 3.962 3.960 0.000 0.000 0.208 174 G HA3 0.001 3.962 3.960 0.000 0.000 0.208 174 G C 0.147 175.052 174.900 0.008 0.000 1.175 174 G CA 0.276 45.371 45.100 -0.008 0.000 0.812 174 G HN 0.217 nan 8.290 nan 0.000 0.523 175 T N -0.801 113.764 114.554 0.018 0.000 2.940 175 T HA 0.516 4.866 4.350 0.000 0.000 0.288 175 T C 0.708 175.431 174.700 0.039 0.000 1.033 175 T CA -0.146 61.975 62.100 0.035 0.000 1.033 175 T CB 2.064 70.958 68.868 0.043 0.000 1.079 175 T HN -0.004 nan 8.240 nan 0.000 0.496 176 G N 0.813 109.648 108.800 0.058 0.000 3.541 176 G HA2 0.139 4.099 3.960 0.000 0.000 0.253 176 G HA3 0.139 4.099 3.960 0.000 0.000 0.253 176 G C 0.867 175.812 174.900 0.076 0.000 1.017 176 G CA -0.278 44.857 45.100 0.059 0.000 1.832 176 G HN 0.707 nan 8.290 nan 0.000 0.649 177 K N 0.118 120.554 120.400 0.061 0.000 2.103 177 K HA -0.076 4.244 4.320 0.000 0.000 0.204 177 K C 2.558 179.193 176.600 0.058 0.000 1.052 177 K CA 1.417 57.743 56.287 0.066 0.000 0.945 177 K CB 0.027 32.557 32.500 0.051 0.000 0.722 177 K HN 0.344 nan 8.250 nan 0.000 0.443 178 T N -0.113 114.465 114.554 0.040 0.000 2.588 178 T HA -0.151 4.199 4.350 0.000 0.000 0.261 178 T C 1.868 176.587 174.700 0.032 0.000 1.069 178 T CA 2.726 64.843 62.100 0.028 0.000 1.172 178 T CB -0.705 68.170 68.868 0.012 0.000 0.863 178 T HN 0.523 nan 8.240 nan 0.000 0.408 179 T N -0.759 113.812 114.554 0.028 0.000 2.849 179 T HA -0.119 4.231 4.350 0.000 0.000 0.270 179 T C 2.123 176.851 174.700 0.047 0.000 1.066 179 T CA 2.107 64.217 62.100 0.016 0.000 1.130 179 T CB -1.281 67.587 68.868 -0.000 0.000 0.864 179 T HN 0.502 nan 8.240 nan 0.000 0.481 180 T N 0.729 115.345 114.554 0.105 0.000 2.770 180 T HA -0.013 4.337 4.350 0.000 0.000 0.263 180 T C 1.976 176.767 174.700 0.152 0.000 1.039 180 T CA 1.059 63.275 62.100 0.193 0.000 1.142 180 T CB -0.622 68.369 68.868 0.204 0.000 0.868 180 T HN 0.270 nan 8.240 nan 0.000 0.435 181 V N 1.901 121.873 119.914 0.096 0.000 2.490 181 V HA -0.069 4.051 4.120 0.000 0.000 0.250 181 V C 2.934 179.060 176.094 0.054 0.000 1.061 181 V CA 1.649 63.991 62.300 0.070 0.000 1.064 181 V CB -1.286 30.567 31.823 0.049 0.000 0.670 181 V HN 0.615 nan 8.190 nan 0.000 0.461 182 A N 0.298 123.142 122.820 0.041 0.000 1.832 182 A HA -0.204 4.116 4.320 0.000 0.000 0.214 182 A C 2.284 179.876 177.584 0.013 0.000 1.200 182 A CA 1.849 53.894 52.037 0.014 0.000 0.610 182 A CB -0.454 18.542 19.000 -0.007 0.000 0.842 182 A HN 0.510 nan 8.150 nan 0.000 0.444 183 K N -0.110 120.292 120.400 0.002 0.000 2.147 183 K HA -0.069 4.252 4.320 0.000 0.000 0.205 183 K C 1.951 178.612 176.600 0.100 0.000 1.049 183 K CA 1.028 57.306 56.287 -0.014 0.000 0.936 183 K CB -0.405 31.966 32.500 -0.216 0.000 0.722 183 K HN 0.419 nan 8.250 nan 0.000 0.446 184 L N 1.611 122.922 121.223 0.146 0.000 2.043 184 L HA -0.212 4.128 4.340 0.000 0.000 0.212 184 L C 1.806 178.719 176.870 0.070 0.000 1.075 184 L CA 1.878 56.795 54.840 0.128 0.000 0.752 184 L CB -0.585 41.538 42.059 0.106 0.000 0.891 184 L HN 0.264 nan 8.230 nan 0.000 0.432 185 L N -0.679 120.571 121.223 0.046 0.000 2.209 185 L HA -0.026 4.314 4.340 0.000 0.000 0.207 185 L C 2.809 179.690 176.870 0.019 0.000 1.094 185 L CA 0.718 55.572 54.840 0.024 0.000 0.790 185 L CB -0.675 41.392 42.059 0.013 0.000 0.932 185 L HN 0.264 nan 8.230 nan 0.000 0.447 186 A N 0.571 123.401 122.820 0.016 0.000 1.948 186 A HA -0.235 4.085 4.320 0.000 0.000 0.220 186 A C 2.445 180.038 177.584 0.015 0.000 1.177 186 A CA 1.968 54.009 52.037 0.006 0.000 0.636 186 A CB -0.563 18.432 19.000 -0.009 0.000 0.815 186 A HN 0.409 nan 8.150 nan 0.000 0.449 187 A N -1.145 121.695 122.820 0.033 0.000 2.067 187 A HA 0.193 4.513 4.320 0.000 0.000 0.217 187 A C 2.101 179.699 177.584 0.024 0.000 1.156 187 A CA 1.092 53.152 52.037 0.038 0.000 0.683 187 A CB -0.360 18.681 19.000 0.070 0.000 0.808 187 A HN 0.493 nan 8.150 nan 0.000 0.455 188 L N -0.710 120.525 121.223 0.020 0.000 2.095 188 L HA -0.029 4.311 4.340 0.000 0.000 0.204 188 L C 2.333 179.207 176.870 0.006 0.000 1.080 188 L CA 0.868 55.714 54.840 0.011 0.000 0.759 188 L CB -0.185 41.879 42.059 0.008 0.000 0.914 188 L HN 0.389 nan 8.230 nan 0.000 0.439 189 I N -0.615 119.959 120.570 0.007 0.000 2.163 189 I HA -0.347 3.823 4.170 0.000 0.000 0.240 189 I C 2.509 178.628 176.117 0.002 0.000 1.081 189 I CA 1.289 62.591 61.300 0.003 0.000 1.353 189 I CB -0.266 37.735 38.000 0.002 0.000 1.054 189 I HN 0.314 nan 8.210 nan 0.000 0.407 190 Q N 0.167 119.969 119.800 0.004 0.000 2.096 190 Q HA -0.229 4.111 4.340 0.000 0.000 0.208 190 Q C 2.005 178.007 176.000 0.003 0.000 0.993 190 Q CA 1.745 57.550 55.803 0.003 0.000 0.862 190 Q CB -0.108 28.634 28.738 0.007 0.000 0.915 190 Q HN 0.501 nan 8.270 nan 0.000 0.416 191 M N -0.440 119.163 119.600 0.004 0.000 2.633 191 M HA 0.100 4.580 4.480 0.000 0.000 0.226 191 M C -0.016 176.282 176.300 -0.002 0.000 1.137 191 M CA -0.120 55.180 55.300 0.001 0.000 1.020 191 M CB 0.395 32.995 32.600 0.000 0.000 1.675 191 M HN -0.000 nan 8.290 nan 0.000 0.500 192 A N 0.929 123.748 122.820 -0.002 0.000 3.016 192 A HA 0.164 4.484 4.320 0.000 0.000 0.303 192 A C 0.691 178.272 177.584 -0.005 0.000 1.507 192 A CA -0.563 51.472 52.037 -0.003 0.000 1.196 192 A CB -0.272 18.727 19.000 -0.001 0.000 1.169 192 A HN 0.336 nan 8.150 nan 0.000 0.544 193 D N 2.029 122.426 120.400 -0.006 0.000 2.958 193 D HA -0.285 4.355 4.640 0.000 0.000 0.309 193 D C 1.727 178.023 176.300 -0.007 0.000 1.093 193 D CA 2.792 56.788 54.000 -0.006 0.000 1.071 193 D CB -0.243 40.552 40.800 -0.008 0.000 1.220 193 D HN 0.557 nan 8.370 nan 0.000 0.496 194 G N 0.022 108.817 108.800 -0.008 0.000 2.542 194 G HA2 0.206 4.167 3.960 0.000 0.000 0.211 194 G HA3 0.206 4.167 3.960 0.000 0.000 0.211 194 G C 0.679 175.575 174.900 -0.008 0.000 1.702 194 G CA 1.108 46.203 45.100 -0.008 0.000 0.935 194 G HN 0.545 nan 8.290 nan 0.000 0.509 195 E N -3.290 116.904 120.200 -0.009 0.000 2.296 195 E HA 0.639 4.990 4.350 0.000 0.000 0.224 195 E C -0.655 175.940 176.600 -0.008 0.000 0.949 195 E CA -1.074 55.321 56.400 -0.008 0.000 0.879 195 E CB 0.702 30.396 29.700 -0.009 0.000 1.922 195 E HN -0.008 nan 8.360 nan 0.000 0.437 196 R N -0.870 119.626 120.500 -0.007 0.000 2.690 196 R HA -0.113 4.227 4.340 0.000 0.000 0.306 196 R C -1.615 174.692 176.300 0.011 0.000 0.979 196 R CA 0.776 56.874 56.100 -0.003 0.000 0.761 196 R CB -1.747 28.542 30.300 -0.018 0.000 2.077 196 R HN 0.792 nan 8.270 nan 0.000 0.486 197 C N 4.007 123.317 119.300 0.016 0.000 3.309 197 C HA 0.511 4.971 4.460 0.000 0.000 0.335 197 C C -0.617 174.385 174.990 0.021 0.000 1.018 197 C CA -0.896 58.136 59.018 0.023 0.000 1.326 197 C CB 0.181 27.928 27.740 0.012 0.000 1.752 197 C HN 0.596 nan 8.230 nan 0.000 0.567 198 R N 4.119 124.639 120.500 0.033 0.000 2.255 198 R HA 0.728 5.069 4.340 0.000 0.000 0.326 198 R C -0.694 175.619 176.300 0.020 0.000 0.986 198 R CA -0.182 55.934 56.100 0.028 0.000 0.847 198 R CB 0.762 31.087 30.300 0.042 0.000 1.111 198 R HN 0.686 nan 8.270 nan 0.000 0.452 199 I N 3.111 123.687 120.570 0.009 0.000 2.330 199 I HA 0.397 4.568 4.170 0.000 0.000 0.289 199 I C 0.148 176.262 176.117 -0.004 0.000 1.001 199 I CA -0.472 60.827 61.300 -0.002 0.000 1.193 199 I CB 1.168 39.165 38.000 -0.005 0.000 1.345 199 I HN 0.317 nan 8.210 nan 0.000 0.461 200 R N 6.104 126.598 120.500 -0.010 0.000 2.494 200 R HA 0.679 5.020 4.340 0.000 0.000 0.305 200 R C -0.766 175.521 176.300 -0.022 0.000 0.959 200 R CA -0.749 55.343 56.100 -0.012 0.000 0.864 200 R CB 2.011 32.307 30.300 -0.006 0.000 1.159 200 R HN 0.520 nan 8.270 nan 0.000 0.446 201 L N 1.484 122.695 121.223 -0.020 0.000 2.488 201 L HA 0.852 5.192 4.340 0.000 0.000 0.249 201 L C 0.045 176.905 176.870 -0.017 0.000 1.151 201 L CA -0.731 54.098 54.840 -0.018 0.000 0.806 201 L CB 1.072 43.123 42.059 -0.014 0.000 1.261 201 L HN 0.758 nan 8.230 nan 0.000 0.484 202 A N 0.183 123.000 122.820 -0.005 0.000 2.592 202 A HA 0.678 4.998 4.320 0.000 0.000 0.300 202 A C -1.590 176.012 177.584 0.030 0.000 0.994 202 A CA 0.014 52.055 52.037 0.006 0.000 0.707 202 A CB 0.446 19.452 19.000 0.010 0.000 1.273 202 A HN 0.898 nan 8.150 nan 0.000 0.413 203 A N 2.507 125.347 122.820 0.033 0.000 2.515 203 A HA 0.973 5.293 4.320 0.000 0.000 0.296 203 A C -2.193 175.423 177.584 0.053 0.000 1.094 203 A CA -1.327 50.739 52.037 0.047 0.000 0.718 203 A CB 1.273 20.292 19.000 0.032 0.000 1.307 203 A HN 0.547 nan 8.150 nan 0.000 0.408 204 P HA -0.038 nan 4.420 nan 0.000 0.215 204 P C 0.827 178.157 177.300 0.049 0.000 1.157 204 P CA 1.751 64.885 63.100 0.057 0.000 0.859 204 P CB -0.256 31.476 31.700 0.054 0.000 0.786 205 T N -3.647 110.930 114.554 0.039 0.000 2.875 205 T HA 0.514 4.864 4.350 0.000 0.000 0.284 205 T C 1.593 176.314 174.700 0.034 0.000 0.995 205 T CA -0.195 61.927 62.100 0.037 0.000 1.060 205 T CB 1.272 70.157 68.868 0.029 0.000 0.967 205 T HN 0.032 nan 8.240 nan 0.000 0.476 206 G N 1.399 110.223 108.800 0.040 0.000 2.432 206 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 206 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 206 G C 1.294 176.208 174.900 0.023 0.000 1.135 206 G CA 0.822 45.944 45.100 0.036 0.000 0.767 206 G HN 0.848 nan 8.290 nan 0.000 0.550 207 K N 0.499 120.913 120.400 0.022 0.000 2.211 207 K HA 0.156 4.477 4.320 0.000 0.000 0.203 207 K C 2.587 179.190 176.600 0.004 0.000 1.050 207 K CA 1.114 57.409 56.287 0.013 0.000 0.945 207 K CB -0.196 32.312 32.500 0.013 0.000 0.732 207 K HN 0.227 nan 8.250 nan 0.000 0.451 208 A N 1.039 123.863 122.820 0.007 0.000 1.855 208 A HA 0.080 4.400 4.320 0.000 0.000 0.213 208 A C 2.364 179.951 177.584 0.004 0.000 1.195 208 A CA 1.215 53.254 52.037 0.004 0.000 0.610 208 A CB -0.913 18.094 19.000 0.011 0.000 0.837 208 A HN 0.393 nan 8.150 nan 0.000 0.444 209 A N 0.270 123.094 122.820 0.007 0.000 1.940 209 A HA -0.042 4.279 4.320 0.000 0.000 0.221 209 A C 2.481 180.061 177.584 -0.007 0.000 1.190 209 A CA 2.709 54.745 52.037 -0.001 0.000 0.647 209 A CB -1.219 17.776 19.000 -0.008 0.000 0.821 209 A HN 1.177 nan 8.150 nan 0.000 0.457 210 A N -0.166 122.652 122.820 -0.004 0.000 1.842 210 A HA -0.256 4.064 4.320 0.000 0.000 0.217 210 A C 2.224 179.803 177.584 -0.007 0.000 1.206 210 A CA 1.961 53.995 52.037 -0.005 0.000 0.630 210 A CB -0.665 18.334 19.000 -0.001 0.000 0.839 210 A HN 0.591 nan 8.150 nan 0.000 0.447 211 R N -0.774 119.721 120.500 -0.008 0.000 2.091 211 R HA -0.083 4.257 4.340 0.000 0.000 0.238 211 R C 2.219 178.514 176.300 -0.008 0.000 1.136 211 R CA 1.224 57.318 56.100 -0.011 0.000 0.959 211 R CB -0.666 29.624 30.300 -0.016 0.000 0.856 211 R HN 0.535 nan 8.270 nan 0.000 0.437 212 L N 1.044 122.264 121.223 -0.005 0.000 1.976 212 L HA -0.292 4.048 4.340 0.000 0.000 0.223 212 L C 2.242 179.109 176.870 -0.005 0.000 1.081 212 L CA 2.707 57.546 54.840 -0.002 0.000 0.784 212 L CB -1.082 40.977 42.059 0.001 0.000 0.896 212 L HN 0.423 nan 8.230 nan 0.000 0.438 213 T N -1.165 113.384 114.554 -0.008 0.000 2.684 213 T HA -0.238 4.112 4.350 0.000 0.000 0.267 213 T C 1.319 176.014 174.700 -0.009 0.000 1.036 213 T CA 1.418 63.512 62.100 -0.010 0.000 1.148 213 T CB -0.777 68.083 68.868 -0.013 0.000 0.863 213 T HN 0.630 nan 8.240 nan 0.000 0.436 214 E N 1.976 122.170 120.200 -0.009 0.000 2.505 214 E HA 0.038 4.389 4.350 0.000 0.000 0.197 214 E C 1.381 177.974 176.600 -0.011 0.000 1.111 214 E CA 0.824 57.218 56.400 -0.009 0.000 0.887 214 E CB -0.356 29.339 29.700 -0.009 0.000 0.913 214 E HN 0.756 nan 8.360 nan 0.000 0.517 215 S N -0.599 115.095 115.700 -0.010 0.000 2.658 215 S HA 0.097 4.568 4.470 0.000 0.000 0.277 215 S C 1.457 176.052 174.600 -0.008 0.000 1.078 215 S CA -0.535 57.659 58.200 -0.010 0.000 1.124 215 S CB -0.219 62.975 63.200 -0.011 0.000 1.016 215 S HN 0.208 nan 8.310 nan 0.000 0.543 216 L N 1.763 122.983 121.223 -0.006 0.000 2.492 216 L HA 0.257 4.598 4.340 0.000 0.000 0.223 216 L C 1.938 178.803 176.870 -0.007 0.000 1.132 216 L CA 1.246 56.083 54.840 -0.004 0.000 0.850 216 L CB -0.398 41.660 42.059 -0.001 0.000 0.966 216 L HN 0.590 nan 8.230 nan 0.000 0.454 217 G N -0.525 108.270 108.800 -0.009 0.000 2.641 217 G HA2 -0.145 3.816 3.960 0.000 0.000 0.211 217 G HA3 -0.145 3.816 3.960 0.000 0.000 0.211 217 G C 1.446 176.339 174.900 -0.012 0.000 1.190 217 G CA 0.322 45.416 45.100 -0.010 0.000 0.842 217 G HN 0.119 nan 8.290 nan 0.000 0.585 218 K N 0.661 121.054 120.400 -0.012 0.000 2.013 218 K HA -0.234 4.086 4.320 0.000 0.000 0.225 218 K C 2.584 179.174 176.600 -0.017 0.000 1.056 218 K CA 2.182 58.460 56.287 -0.014 0.000 0.971 218 K CB -0.596 31.896 32.500 -0.014 0.000 0.731 218 K HN 0.173 nan 8.250 nan 0.000 0.450 219 A N 1.097 123.907 122.820 -0.018 0.000 2.076 219 A HA -0.135 4.185 4.320 0.000 0.000 0.220 219 A C 2.129 179.697 177.584 -0.026 0.000 1.160 219 A CA 1.403 53.426 52.037 -0.023 0.000 0.653 219 A CB -0.427 18.561 19.000 -0.020 0.000 0.801 219 A HN 0.522 nan 8.150 nan 0.000 0.455 220 L N -1.486 119.725 121.223 -0.020 0.000 2.249 220 L HA -0.003 4.337 4.340 0.000 0.000 0.207 220 L C 2.332 179.189 176.870 -0.021 0.000 1.090 220 L CA 0.456 55.284 54.840 -0.020 0.000 0.802 220 L CB -0.226 41.825 42.059 -0.014 0.000 0.947 220 L HN 0.269 nan 8.230 nan 0.000 0.453 221 R N 0.083 120.572 120.500 -0.018 0.000 2.189 221 R HA -0.110 4.231 4.340 0.000 0.000 0.223 221 R C 1.777 178.065 176.300 -0.021 0.000 1.092 221 R CA 0.701 56.791 56.100 -0.017 0.000 0.989 221 R CB -0.412 29.880 30.300 -0.014 0.000 0.876 221 R HN 0.605 nan 8.270 nan 0.000 0.457 222 Q N 1.038 120.823 119.800 -0.025 0.000 1.596 222 Q HA 0.003 4.343 4.340 0.000 0.000 0.476 222 Q C 0.777 176.756 176.000 -0.034 0.000 0.959 222 Q CA 0.397 56.182 55.803 -0.030 0.000 0.901 222 Q CB -0.611 28.106 28.738 -0.035 0.000 0.932 222 Q HN 0.272 nan 8.270 nan 0.000 0.389 223 L N 1.619 122.814 121.223 -0.046 0.000 3.605 223 L HA -0.058 4.283 4.340 0.000 0.000 0.434 223 L C -1.984 174.860 176.870 -0.043 0.000 1.161 223 L CA -0.881 53.925 54.840 -0.056 0.000 0.727 223 L CB -0.927 41.086 42.059 -0.077 0.000 1.020 223 L HN 0.247 nan 8.230 nan 0.000 0.781 224 P HA 0.031 nan 4.420 nan 0.000 0.225 224 P C -0.594 176.691 177.300 -0.025 0.000 1.054 224 P CA 0.612 63.694 63.100 -0.030 0.000 1.244 224 P CB 0.080 31.762 31.700 -0.030 0.000 1.310 225 L N 3.100 124.310 121.223 -0.021 0.000 2.639 225 L HA 0.338 4.679 4.340 0.000 0.000 0.264 225 L C -0.309 176.553 176.870 -0.013 0.000 0.948 225 L CA -0.105 54.725 54.840 -0.016 0.000 0.912 225 L CB 1.759 43.808 42.059 -0.017 0.000 1.294 225 L HN 0.001 nan 8.230 nan 0.000 0.412 226 T N -0.426 114.121 114.554 -0.011 0.000 3.252 226 T HA 0.075 4.425 4.350 0.000 0.000 0.295 226 T C -0.191 174.504 174.700 -0.007 0.000 0.897 226 T CA -0.091 62.004 62.100 -0.009 0.000 0.905 226 T CB -0.034 68.828 68.868 -0.010 0.000 1.202 226 T HN 0.745 nan 8.240 nan 0.000 0.592 227 D N 3.064 123.460 120.400 -0.007 0.000 2.598 227 D HA 0.054 4.694 4.640 0.000 0.000 0.231 227 D C -0.500 175.797 176.300 -0.005 0.000 1.127 227 D CA 0.117 54.114 54.000 -0.006 0.000 1.126 227 D CB -0.152 40.645 40.800 -0.005 0.000 1.124 227 D HN 0.053 nan 8.370 nan 0.000 0.485 228 E N 1.010 121.207 120.200 -0.005 0.000 4.836 228 E HA -0.233 4.117 4.350 0.000 0.000 0.320 228 E C -0.567 176.030 176.600 -0.005 0.000 1.595 228 E CA 0.465 56.862 56.400 -0.005 0.000 1.187 228 E CB -0.983 28.715 29.700 -0.005 0.000 0.811 228 E HN 0.616 nan 8.360 nan 0.000 0.336 229 Q N 2.251 122.048 119.800 -0.005 0.000 3.181 229 Q HA 0.099 4.439 4.340 0.000 0.000 0.293 229 Q C 0.017 176.015 176.000 -0.004 0.000 1.406 229 Q CA 0.179 55.979 55.803 -0.005 0.000 1.026 229 Q CB 0.303 29.037 28.738 -0.007 0.000 1.630 229 Q HN 0.151 nan 8.270 nan 0.000 0.553 230 K N 1.819 122.218 120.400 -0.003 0.000 2.307 230 K HA 0.095 4.416 4.320 0.000 0.000 0.240 230 K C 0.278 176.877 176.600 -0.002 0.000 1.214 230 K CA -0.175 56.111 56.287 -0.002 0.000 1.149 230 K CB 0.314 32.813 32.500 -0.001 0.000 1.668 230 K HN 0.232 nan 8.250 nan 0.000 0.314 231 K N 1.014 121.412 120.400 -0.003 0.000 2.803 231 K HA -0.090 4.230 4.320 0.000 0.000 0.314 231 K C 0.854 177.452 176.600 -0.002 0.000 1.094 231 K CA 0.680 56.965 56.287 -0.003 0.000 0.954 231 K CB 0.086 32.583 32.500 -0.005 0.000 0.951 231 K HN 0.397 nan 8.250 nan 0.000 0.471 232 R N 1.113 121.610 120.500 -0.004 0.000 2.541 232 R HA 0.164 4.504 4.340 0.000 0.000 0.245 232 R C 0.287 176.583 176.300 -0.006 0.000 1.154 232 R CA 0.015 56.112 56.100 -0.005 0.000 1.179 232 R CB -0.802 29.494 30.300 -0.006 0.000 1.189 232 R HN 0.501 nan 8.270 nan 0.000 0.526 233 I N -0.416 120.152 120.570 -0.003 0.000 6.332 233 I HA -0.246 3.924 4.170 0.000 0.000 0.126 233 I C -1.560 174.551 176.117 -0.009 0.000 1.783 233 I CA -0.196 61.102 61.300 -0.004 0.000 2.232 233 I CB -1.231 36.769 38.000 0.000 0.000 3.392 233 I HN 0.083 nan 8.210 nan 0.000 0.225 234 P HA -0.221 nan 4.420 nan 0.000 0.173 234 P C 0.028 177.317 177.300 -0.018 0.000 1.151 234 P CA 1.621 64.713 63.100 -0.013 0.000 0.878 234 P CB -0.220 31.474 31.700 -0.010 0.000 1.313 235 E N -0.629 119.557 120.200 -0.024 0.000 2.113 235 E HA 0.066 4.416 4.350 0.000 0.000 0.273 235 E C 0.460 177.031 176.600 -0.049 0.000 0.924 235 E CA -0.604 55.773 56.400 -0.039 0.000 0.764 235 E CB 0.948 30.625 29.700 -0.039 0.000 1.104 235 E HN 0.149 nan 8.360 nan 0.000 0.406 236 D N 2.423 122.788 120.400 -0.057 0.000 2.196 236 D HA 0.175 4.815 4.640 0.000 0.000 0.228 236 D C 0.307 176.552 176.300 -0.092 0.000 1.028 236 D CA 0.514 54.481 54.000 -0.056 0.000 0.924 236 D CB -0.033 40.743 40.800 -0.041 0.000 1.025 236 D HN 0.543 nan 8.370 nan 0.000 0.438 237 A N 0.309 123.051 122.820 -0.130 0.000 2.435 237 A HA 0.113 4.433 4.320 0.000 0.000 0.686 237 A C 0.262 177.798 177.584 -0.080 0.000 0.138 237 A CA 0.033 51.935 52.037 -0.225 0.000 0.024 237 A CB -1.417 17.423 19.000 -0.268 0.000 3.974 237 A HN 0.481 nan 8.150 nan 0.000 0.548 238 S N 1.683 117.373 115.700 -0.016 0.000 2.592 238 S HA 0.539 5.010 4.470 0.000 0.000 0.271 238 S C 1.259 175.911 174.600 0.087 0.000 1.326 238 S CA 0.540 58.776 58.200 0.060 0.000 1.024 238 S CB 1.393 64.654 63.200 0.103 0.000 0.921 238 S HN 1.721 nan 8.310 nan 0.000 0.527 239 T N 0.933 115.532 114.554 0.075 0.000 2.720 239 T HA -0.012 4.339 4.350 0.000 0.000 0.268 239 T C 1.001 175.755 174.700 0.089 0.000 1.037 239 T CA 1.188 63.334 62.100 0.076 0.000 1.144 239 T CB -0.601 68.314 68.868 0.078 0.000 0.864 239 T HN 0.540 nan 8.240 nan 0.000 0.444 240 L N 1.122 122.400 121.223 0.092 0.000 2.939 240 L HA 0.174 4.514 4.340 0.000 0.000 0.239 240 L C 1.215 178.142 176.870 0.095 0.000 1.325 240 L CA -0.121 54.765 54.840 0.076 0.000 1.170 240 L CB -0.207 41.884 42.059 0.054 0.000 1.538 240 L HN 0.369 nan 8.230 nan 0.000 0.452 241 H N 0.587 119.667 119.070 0.016 0.000 4.819 241 H HA 0.037 4.593 4.556 0.000 0.000 0.100 241 H C 1.647 176.980 175.328 0.010 0.000 1.259 241 H CA 0.457 56.513 56.048 0.013 0.000 0.709 241 H CB 0.160 29.930 29.762 0.014 0.000 1.480 241 H HN 0.216 nan 8.280 nan 0.000 0.183 242 R N 1.558 122.250 120.500 0.320 0.000 2.477 242 R HA -0.141 4.200 4.340 0.000 0.000 0.262 242 R C 0.423 176.771 176.300 0.080 0.000 1.231 242 R CA 1.720 57.917 56.100 0.161 0.000 1.089 242 R CB -0.825 29.519 30.300 0.074 0.000 0.846 242 R HN 0.211 nan 8.270 nan 0.000 0.510 243 L N -0.929 120.335 121.223 0.069 0.000 2.731 243 L HA 0.536 4.876 4.340 0.000 0.000 0.199 243 L C 0.510 177.400 176.870 0.033 0.000 1.976 243 L CA -1.191 53.674 54.840 0.042 0.000 2.802 243 L CB -0.166 41.922 42.059 0.049 0.000 2.882 243 L HN 0.186 nan 8.230 nan 0.000 0.651 257 A N -0.057 122.284 122.820 -0.799 0.000 2.540 257 A HA 0.409 4.729 4.320 0.000 0.000 0.239 257 A C 1.405 179.091 177.584 0.170 0.000 1.061 257 A CA 1.287 53.182 52.037 -0.237 0.000 0.758 257 A CB -0.904 17.973 19.000 -0.205 0.000 0.991 257 A HN 1.675 nan 8.150 nan 0.000 0.502 258 G N 0.944 109.790 108.800 0.075 0.000 2.143 258 G HA2 -0.231 3.729 3.960 0.000 0.000 0.249 258 G HA3 -0.231 3.729 3.960 0.000 0.000 0.249 258 G C 0.108 175.054 174.900 0.077 0.000 0.981 258 G CA 0.459 45.613 45.100 0.089 0.000 0.665 258 G HN 1.506 nan 8.290 nan 0.000 0.528 259 N N -0.533 118.199 118.700 0.054 0.000 3.596 259 N HA 0.057 4.798 4.740 0.000 0.000 0.135 259 N C -2.932 172.564 175.510 -0.023 0.000 0.982 259 N CA -0.400 52.668 53.050 0.030 0.000 2.806 259 N CB 0.523 39.033 38.487 0.038 0.000 1.378 259 N HN 0.150 nan 8.380 nan 0.000 0.776 260 P HA -0.012 nan 4.420 nan 0.000 0.269 260 P C 0.121 177.364 177.300 -0.095 0.000 1.200 260 P CA 0.254 63.322 63.100 -0.054 0.000 0.779 260 P CB 0.766 32.467 31.700 0.001 0.000 0.841 261 L N 1.864 123.026 121.223 -0.101 0.000 2.472 261 L HA 0.139 4.479 4.340 0.000 0.000 0.260 261 L C 0.866 177.718 176.870 -0.030 0.000 1.209 261 L CA 0.252 55.006 54.840 -0.144 0.000 0.817 261 L CB -0.217 41.791 42.059 -0.086 0.000 1.106 261 L HN 0.426 nan 8.230 nan 0.000 0.479 262 H N 2.625 121.713 119.070 0.029 0.000 2.787 262 H HA 0.544 5.100 4.556 0.000 0.000 0.275 262 H C -0.919 174.433 175.328 0.039 0.000 1.183 262 H CA -0.730 55.346 56.048 0.046 0.000 1.290 262 H CB 0.310 30.094 29.762 0.036 0.000 1.438 262 H HN 0.303 nan 8.280 nan 0.000 0.487 263 L N -0.393 120.937 121.223 0.178 0.000 3.055 263 L HA 0.246 4.587 4.340 0.000 0.000 0.260 263 L C -0.742 176.182 176.870 0.091 0.000 0.986 263 L CA -0.839 54.062 54.840 0.101 0.000 1.009 263 L CB 1.066 43.145 42.059 0.033 0.000 1.508 263 L HN 0.223 nan 8.230 nan 0.000 0.407 264 D N -0.073 120.366 120.400 0.066 0.000 2.431 264 D HA 0.236 4.876 4.640 0.000 0.000 0.227 264 D C 0.135 176.406 176.300 -0.048 0.000 1.030 264 D CA 1.366 55.395 54.000 0.048 0.000 0.897 264 D CB 2.062 42.925 40.800 0.106 0.000 1.058 264 D HN 0.443 nan 8.370 nan 0.000 0.500 265 V N 1.373 121.265 119.914 -0.037 0.000 2.623 265 V HA 0.531 4.651 4.120 0.000 0.000 0.304 265 V C -1.967 174.089 176.094 -0.064 0.000 1.054 265 V CA -0.899 61.365 62.300 -0.059 0.000 0.882 265 V CB 2.366 34.166 31.823 -0.038 0.000 1.002 265 V HN -0.076 nan 8.190 nan 0.000 0.424 266 L N 7.078 128.242 121.223 -0.098 0.000 2.333 266 L HA 0.773 5.113 4.340 0.000 0.000 0.280 266 L C -0.832 175.955 176.870 -0.137 0.000 1.004 266 L CA -0.158 54.621 54.840 -0.102 0.000 0.820 266 L CB 1.922 43.914 42.059 -0.111 0.000 1.247 266 L HN 0.569 nan 8.230 nan 0.000 0.416 267 V N 6.504 126.363 119.914 -0.092 0.000 2.257 267 V HA 0.314 4.435 4.120 0.000 0.000 0.269 267 V C -0.307 175.760 176.094 -0.044 0.000 1.040 267 V CA -0.594 61.656 62.300 -0.083 0.000 0.813 267 V CB 1.442 33.241 31.823 -0.039 0.000 1.065 267 V HN 0.549 nan 8.190 nan 0.000 0.457 268 V N 3.953 123.834 119.914 -0.055 0.000 2.408 268 V HA 0.285 4.405 4.120 0.000 0.000 0.267 268 V C 0.263 176.436 176.094 0.131 0.000 1.047 268 V CA -0.235 62.109 62.300 0.073 0.000 0.937 268 V CB 1.225 33.174 31.823 0.211 0.000 0.999 268 V HN 0.745 nan 8.190 nan 0.000 0.472 269 D N 3.333 123.789 120.400 0.093 0.000 2.387 269 D HA 0.232 4.872 4.640 0.000 0.000 0.255 269 D C 0.777 177.129 176.300 0.087 0.000 1.081 269 D CA -0.261 53.791 54.000 0.085 0.000 0.994 269 D CB 1.109 41.938 40.800 0.049 0.000 1.127 269 D HN 0.592 nan 8.370 nan 0.000 0.513 270 E N 0.168 120.409 120.200 0.068 0.000 2.883 270 E HA -0.268 4.082 4.350 0.000 0.000 0.271 270 E C 1.046 177.683 176.600 0.062 0.000 1.049 270 E CA 0.771 57.200 56.400 0.050 0.000 0.817 270 E CB -1.731 27.989 29.700 0.034 0.000 1.407 270 E HN 0.530 nan 8.360 nan 0.000 0.434 271 A N 0.545 123.425 122.820 0.100 0.000 2.104 271 A HA -0.307 4.014 4.320 0.000 0.000 0.223 271 A C 2.238 179.833 177.584 0.020 0.000 1.164 271 A CA 2.385 54.480 52.037 0.097 0.000 0.659 271 A CB -0.752 18.337 19.000 0.148 0.000 0.808 271 A HN 0.611 nan 8.150 nan 0.000 0.465 272 S N -0.965 114.742 115.700 0.012 0.000 2.469 272 S HA -0.084 4.386 4.470 0.000 0.000 0.238 272 S C 1.598 176.189 174.600 -0.016 0.000 0.998 272 S CA 1.528 59.720 58.200 -0.013 0.000 0.957 272 S CB -0.514 62.680 63.200 -0.010 0.000 0.764 272 S HN 0.608 nan 8.310 nan 0.000 0.514 273 M N 0.877 120.475 119.600 -0.002 0.000 2.502 273 M HA 0.285 4.765 4.480 0.000 0.000 0.243 273 M C -0.259 176.046 176.300 0.008 0.000 1.130 273 M CA 0.036 55.334 55.300 -0.003 0.000 1.055 273 M CB -0.002 32.599 32.600 0.002 0.000 1.457 273 M HN 0.200 nan 8.290 nan 0.000 0.488 274 I N 3.189 123.765 120.570 0.011 0.000 2.683 274 I HA -0.053 4.117 4.170 0.000 0.000 0.286 274 I C 0.313 176.433 176.117 0.004 0.000 1.175 274 I CA 0.534 61.843 61.300 0.016 0.000 1.429 274 I CB -0.517 37.483 38.000 0.001 0.000 1.371 274 I HN 0.331 nan 8.210 nan 0.000 0.569 275 D N 5.900 126.309 120.400 0.015 0.000 2.326 275 D HA 0.200 4.840 4.640 0.000 0.000 0.248 275 D C 1.105 177.417 176.300 0.020 0.000 1.001 275 D CA -0.803 53.205 54.000 0.014 0.000 0.961 275 D CB 2.330 43.140 40.800 0.016 0.000 1.183 275 D HN 0.359 nan 8.370 nan 0.000 0.502 276 L N 0.561 121.799 121.223 0.025 0.000 2.026 276 L HA -0.241 4.099 4.340 0.000 0.000 0.231 276 L C -0.733 176.154 176.870 0.028 0.000 1.095 276 L CA 2.427 57.286 54.840 0.032 0.000 0.810 276 L CB -1.265 40.821 42.059 0.045 0.000 0.909 276 L HN 0.433 nan 8.230 nan 0.000 0.444 277 P HA -0.218 nan 4.420 nan 0.000 0.215 277 P C 1.759 179.073 177.300 0.024 0.000 1.157 277 P CA 1.354 64.469 63.100 0.024 0.000 0.868 277 P CB -0.081 31.633 31.700 0.022 0.000 0.788 278 M N -1.703 117.913 119.600 0.027 0.000 2.106 278 M HA -0.170 4.310 4.480 0.000 0.000 0.259 278 M C 1.928 178.248 176.300 0.033 0.000 1.068 278 M CA 1.924 57.245 55.300 0.033 0.000 1.100 278 M CB -1.386 31.237 32.600 0.039 0.000 1.351 278 M HN -0.049 nan 8.290 nan 0.000 0.404 279 M N -0.075 119.541 119.600 0.027 0.000 2.084 279 M HA -0.165 4.315 4.480 0.000 0.000 0.259 279 M C 2.315 178.599 176.300 -0.026 0.000 1.072 279 M CA 2.323 57.636 55.300 0.022 0.000 1.107 279 M CB -1.503 31.119 32.600 0.036 0.000 1.299 279 M HN 0.436 nan 8.290 nan 0.000 0.413 280 S N -0.235 115.448 115.700 -0.028 0.000 2.420 280 S HA -0.171 4.300 4.470 0.000 0.000 0.237 280 S C 1.916 176.485 174.600 -0.053 0.000 1.023 280 S CA 1.188 59.351 58.200 -0.061 0.000 0.991 280 S CB -0.637 62.547 63.200 -0.026 0.000 0.792 280 S HN 0.473 nan 8.310 nan 0.000 0.488 281 R N 0.372 120.866 120.500 -0.009 0.000 2.093 281 R HA 0.272 4.612 4.340 0.000 0.000 0.224 281 R C 2.459 178.745 176.300 -0.023 0.000 1.101 281 R CA 0.955 57.071 56.100 0.027 0.000 0.979 281 R CB -0.433 29.901 30.300 0.056 0.000 0.877 281 R HN 0.385 nan 8.270 nan 0.000 0.441 282 L N 0.896 122.100 121.223 -0.033 0.000 2.027 282 L HA -0.134 4.206 4.340 0.000 0.000 0.206 282 L C 2.223 179.005 176.870 -0.146 0.000 1.074 282 L CA 1.258 56.073 54.840 -0.043 0.000 0.745 282 L CB -0.179 41.903 42.059 0.038 0.000 0.898 282 L HN 0.232 nan 8.230 nan 0.000 0.433 283 I N 0.439 120.865 120.570 -0.240 0.000 2.145 283 I HA -0.404 3.766 4.170 0.000 0.000 0.244 283 I C 1.907 177.796 176.117 -0.381 0.000 1.075 283 I CA 2.161 63.166 61.300 -0.492 0.000 1.332 283 I CB -0.391 37.231 38.000 -0.630 0.000 1.033 283 I HN 0.390 nan 8.210 nan 0.000 0.410 284 D N 0.726 120.936 120.400 -0.317 0.000 2.178 284 D HA -0.107 4.534 4.640 0.000 0.000 0.201 284 D C 2.009 178.016 176.300 -0.489 0.000 0.980 284 D CA 1.213 54.969 54.000 -0.407 0.000 0.842 284 D CB -0.053 40.460 40.800 -0.479 0.000 0.948 284 D HN 0.349 nan 8.370 nan 0.000 0.472 285 A N -0.135 122.453 122.820 -0.386 0.000 2.239 285 A HA 0.051 4.371 4.320 0.000 0.000 0.209 285 A C 0.684 178.162 177.584 -0.177 0.000 1.171 285 A CA 0.239 52.116 52.037 -0.267 0.000 0.768 285 A CB -0.380 18.536 19.000 -0.141 0.000 0.790 285 A HN 0.181 nan 8.150 nan 0.000 0.478 286 L N 2.201 123.315 121.223 -0.181 0.000 2.261 286 L HA 0.280 4.620 4.340 0.000 0.000 0.289 286 L C -2.169 174.641 176.870 -0.100 0.000 1.059 286 L CA -1.985 52.778 54.840 -0.129 0.000 0.816 286 L CB 1.218 43.213 42.059 -0.108 0.000 1.191 286 L HN 0.110 nan 8.230 nan 0.000 0.431 287 P HA 0.089 nan 4.420 nan 0.000 0.276 287 P C -0.202 177.066 177.300 -0.053 0.000 1.253 287 P CA -0.313 62.770 63.100 -0.028 0.000 0.766 287 P CB 1.056 32.788 31.700 0.054 0.000 0.845 288 D N 1.027 121.442 120.400 0.025 0.000 2.382 288 D HA -0.268 4.372 4.640 0.000 0.000 0.194 288 D C 1.509 177.830 176.300 0.035 0.000 1.026 288 D CA 1.727 55.752 54.000 0.041 0.000 0.913 288 D CB -0.474 40.365 40.800 0.065 0.000 0.894 288 D HN 0.655 nan 8.370 nan 0.000 0.453 289 H N -0.782 118.293 119.070 0.009 0.000 2.533 289 H HA 0.541 5.097 4.556 0.000 0.000 0.271 289 H C 0.066 175.391 175.328 -0.005 0.000 1.000 289 H CA 0.258 56.305 56.048 -0.001 0.000 1.149 289 H CB -0.081 29.680 29.762 -0.002 0.000 1.375 289 H HN 0.106 nan 8.280 nan 0.000 0.582 290 A N 1.381 123.923 122.820 -0.464 0.000 2.306 290 A HA 0.613 4.934 4.320 0.000 0.000 0.330 290 A C -0.084 177.400 177.584 -0.167 0.000 1.146 290 A CA -0.863 50.947 52.037 -0.377 0.000 0.827 290 A CB 1.242 20.000 19.000 -0.405 0.000 1.178 290 A HN 0.413 nan 8.150 nan 0.000 0.490 291 R N 0.682 121.101 120.500 -0.135 0.000 2.343 291 R HA 0.540 4.880 4.340 0.000 0.000 0.320 291 R C -1.517 174.702 176.300 -0.136 0.000 0.956 291 R CA -0.387 55.646 56.100 -0.112 0.000 0.836 291 R CB 1.693 31.945 30.300 -0.081 0.000 1.151 291 R HN 0.511 nan 8.270 nan 0.000 0.450 292 V N 5.720 125.529 119.914 -0.175 0.000 2.417 292 V HA 0.452 4.572 4.120 0.000 0.000 0.291 292 V C -0.127 175.757 176.094 -0.350 0.000 1.024 292 V CA -0.753 61.362 62.300 -0.309 0.000 0.861 292 V CB 1.696 33.292 31.823 -0.378 0.000 0.985 292 V HN 0.619 nan 8.190 nan 0.000 0.436 293 I N 5.201 125.569 120.570 -0.337 0.000 2.382 293 I HA 0.473 4.643 4.170 0.000 0.000 0.286 293 I C -0.650 175.327 176.117 -0.233 0.000 1.002 293 I CA 0.065 61.251 61.300 -0.191 0.000 1.135 293 I CB 1.222 39.180 38.000 -0.070 0.000 1.288 293 I HN 0.413 nan 8.210 nan 0.000 0.448 294 F N 6.521 126.526 119.950 0.091 0.000 2.404 294 F HA 0.593 5.121 4.527 0.000 0.000 0.339 294 F C -0.120 175.719 175.800 0.065 0.000 1.105 294 F CA -0.646 57.409 58.000 0.091 0.000 1.087 294 F CB 1.049 40.128 39.000 0.132 0.000 1.143 294 F HN 0.110 nan 8.300 nan 0.000 0.491 295 L N 2.510 123.879 121.223 0.243 0.000 2.365 295 L HA 0.928 5.268 4.340 0.000 0.000 0.273 295 L C 0.102 177.043 176.870 0.118 0.000 1.000 295 L CA -0.473 54.455 54.840 0.146 0.000 0.819 295 L CB 1.905 44.023 42.059 0.099 0.000 1.284 295 L HN 0.822 nan 8.230 nan 0.000 0.418 296 G N 0.618 109.464 108.800 0.077 0.000 2.495 296 G HA2 0.234 4.194 3.960 0.000 0.000 0.294 296 G HA3 0.234 4.194 3.960 0.000 0.000 0.294 296 G C -2.295 172.618 174.900 0.021 0.000 1.397 296 G CA -0.406 44.721 45.100 0.046 0.000 0.790 296 G HN 0.386 nan 8.290 nan 0.000 0.486 297 D N -0.063 120.346 120.400 0.014 0.000 2.460 297 D HA 0.226 4.866 4.640 0.000 0.000 0.232 297 D C 1.444 177.730 176.300 -0.023 0.000 1.079 297 D CA -0.643 53.364 54.000 0.012 0.000 0.864 297 D CB 1.597 42.435 40.800 0.064 0.000 1.048 297 D HN 0.520 nan 8.370 nan 0.000 0.523 298 R N 2.843 123.304 120.500 -0.064 0.000 2.117 298 R HA -0.187 4.153 4.340 0.000 0.000 0.243 298 R C -0.163 176.061 176.300 -0.125 0.000 1.143 298 R CA 1.851 57.890 56.100 -0.102 0.000 0.968 298 R CB 0.158 30.380 30.300 -0.129 0.000 0.863 298 R HN 0.305 nan 8.270 nan 0.000 0.444 299 D N -0.137 120.160 120.400 -0.171 0.000 2.525 299 D HA 0.046 4.686 4.640 0.000 0.000 0.229 299 D C -0.525 175.684 176.300 -0.151 0.000 1.202 299 D CA -0.264 53.583 54.000 -0.255 0.000 0.828 299 D CB 0.572 41.062 40.800 -0.517 0.000 1.008 299 D HN 0.072 nan 8.370 nan 0.000 0.493 300 Q N 0.757 120.563 119.800 0.010 0.000 2.235 300 Q HA 0.268 4.608 4.340 0.000 0.000 0.250 300 Q C 0.801 176.826 176.000 0.042 0.000 0.909 300 Q CA -0.650 55.229 55.803 0.128 0.000 0.910 300 Q CB 1.471 30.267 28.738 0.097 0.000 1.223 300 Q HN 0.185 nan 8.270 nan 0.000 0.432 301 L N 3.635 124.890 121.223 0.053 0.000 2.089 301 L HA -0.182 4.158 4.340 0.000 0.000 0.213 301 L C 1.571 178.428 176.870 -0.023 0.000 1.079 301 L CA 2.741 57.589 54.840 0.013 0.000 0.758 301 L CB -0.821 41.247 42.059 0.014 0.000 0.891 301 L HN 0.831 nan 8.230 nan 0.000 0.433 302 A N -1.816 120.975 122.820 -0.049 0.000 2.070 302 A HA -0.140 4.180 4.320 0.000 0.000 0.220 302 A C 2.263 179.826 177.584 -0.036 0.000 1.159 302 A CA 1.717 53.715 52.037 -0.066 0.000 0.656 302 A CB -0.683 18.272 19.000 -0.075 0.000 0.800 302 A HN 0.550 nan 8.150 nan 0.000 0.453 303 S N -1.065 114.617 115.700 -0.031 0.000 2.593 303 S HA 0.122 4.592 4.470 0.000 0.000 0.217 303 S C 1.127 175.706 174.600 -0.035 0.000 0.966 303 S CA 0.947 59.124 58.200 -0.038 0.000 0.914 303 S CB 0.212 63.382 63.200 -0.050 0.000 0.776 303 S HN 0.501 nan 8.310 nan 0.000 0.523 304 V N -0.038 119.863 119.914 -0.020 0.000 3.497 304 V HA 0.156 4.277 4.120 0.000 0.000 0.272 304 V C 0.569 176.676 176.094 0.020 0.000 1.474 304 V CA -0.462 61.832 62.300 -0.009 0.000 1.025 304 V CB -0.391 31.422 31.823 -0.017 0.000 0.820 304 V HN 0.415 nan 8.190 nan 0.000 0.437 305 E N 2.151 122.366 120.200 0.026 0.000 2.410 305 E HA 0.521 4.871 4.350 0.000 0.000 0.255 305 E C 0.487 177.114 176.600 0.045 0.000 1.194 305 E CA -0.039 56.392 56.400 0.051 0.000 0.955 305 E CB 0.502 30.242 29.700 0.067 0.000 0.988 305 E HN 0.337 nan 8.360 nan 0.000 0.461 306 A N 0.853 123.682 122.820 0.015 0.000 2.591 306 A HA 0.285 4.605 4.320 0.000 0.000 0.244 306 A C 1.392 178.966 177.584 -0.015 0.000 1.031 306 A CA 0.705 52.714 52.037 -0.046 0.000 0.767 306 A CB -1.233 17.427 19.000 -0.567 0.000 0.942 306 A HN 1.223 nan 8.150 nan 0.000 0.514 307 G N 0.793 109.619 108.800 0.043 0.000 2.179 307 G HA2 0.122 4.082 3.960 0.000 0.000 0.260 307 G HA3 0.122 4.082 3.960 0.000 0.000 0.260 307 G C 0.657 175.572 174.900 0.026 0.000 0.977 307 G CA 0.774 45.893 45.100 0.031 0.000 0.641 307 G HN 2.246 nan 8.290 nan 0.000 0.533 308 A N -0.709 122.124 122.820 0.021 0.000 2.296 308 A HA 0.857 5.177 4.320 0.000 0.000 0.264 308 A C 1.592 179.177 177.584 0.002 0.000 1.097 308 A CA 0.991 53.031 52.037 0.004 0.000 0.811 308 A CB 1.086 20.082 19.000 -0.006 0.000 1.072 308 A HN 1.557 nan 8.150 nan 0.000 0.495 309 V N -2.373 117.530 119.914 -0.020 0.000 3.245 309 V HA 0.117 4.237 4.120 0.000 0.000 0.246 309 V C 1.729 177.778 176.094 -0.074 0.000 1.487 309 V CA 0.703 62.986 62.300 -0.027 0.000 1.154 309 V CB -1.201 30.617 31.823 -0.009 0.000 0.971 309 V HN 0.665 nan 8.190 nan 0.000 0.443 310 L N 3.144 124.309 121.223 -0.096 0.000 1.978 310 L HA -0.008 4.333 4.340 0.000 0.000 0.218 310 L C 2.523 179.319 176.870 -0.123 0.000 1.075 310 L CA 2.982 57.745 54.840 -0.129 0.000 0.767 310 L CB -1.258 40.742 42.059 -0.098 0.000 0.890 310 L HN 0.404 nan 8.230 nan 0.000 0.434 311 G N -1.422 107.321 108.800 -0.095 0.000 2.556 311 G HA2 -0.385 3.576 3.960 0.000 0.000 0.220 311 G HA3 -0.385 3.576 3.960 0.000 0.000 0.220 311 G C 1.178 176.003 174.900 -0.125 0.000 1.156 311 G CA 1.358 46.395 45.100 -0.105 0.000 0.766 311 G HN 0.529 nan 8.290 nan 0.000 0.583 312 D N 0.009 120.354 120.400 -0.092 0.000 2.149 312 D HA 0.014 4.654 4.640 0.000 0.000 0.201 312 D C 2.421 178.667 176.300 -0.090 0.000 0.972 312 D CA 0.301 54.257 54.000 -0.073 0.000 0.835 312 D CB -0.055 40.754 40.800 0.015 0.000 0.966 312 D HN 0.362 nan 8.370 nan 0.000 0.476 313 I N 0.328 120.824 120.570 -0.123 0.000 2.179 313 I HA -0.266 3.905 4.170 0.000 0.000 0.242 313 I C 1.614 177.550 176.117 -0.301 0.000 1.088 313 I CA 0.949 62.082 61.300 -0.277 0.000 1.357 313 I CB -0.077 37.640 38.000 -0.471 0.000 1.051 313 I HN 0.137 nan 8.210 nan 0.000 0.409 314 C N 0.842 119.996 119.300 -0.242 0.000 2.576 314 C HA 0.243 4.703 4.460 0.000 0.000 0.267 314 C C 2.852 177.697 174.990 -0.242 0.000 1.364 314 C CA 0.015 58.901 59.018 -0.220 0.000 1.723 314 C CB -1.952 25.682 27.740 -0.177 0.000 1.778 314 C HN 0.524 nan 8.230 nan 0.000 0.572 315 A N 0.262 122.900 122.820 -0.302 0.000 1.877 315 A HA -0.183 4.137 4.320 0.000 0.000 0.216 315 A C 1.558 178.879 177.584 -0.440 0.000 1.186 315 A CA 1.311 53.109 52.037 -0.397 0.000 0.620 315 A CB -0.912 17.767 19.000 -0.534 0.000 0.822 315 A HN 0.666 nan 8.150 nan 0.000 0.443 316 Y N 0.159 120.331 120.300 -0.214 0.000 2.665 316 Y HA 0.094 4.644 4.550 0.000 0.000 0.320 316 Y C 2.306 178.061 175.900 -0.241 0.000 1.204 316 Y CA -0.029 57.937 58.100 -0.223 0.000 1.315 316 Y CB -0.378 37.911 38.460 -0.284 0.000 1.033 316 Y HN 0.398 nan 8.280 nan 0.000 0.509 317 A N 0.528 123.250 122.820 -0.164 0.000 1.898 317 A HA -0.153 4.167 4.320 0.000 0.000 0.214 317 A C 2.020 179.478 177.584 -0.210 0.000 1.183 317 A CA 1.056 52.963 52.037 -0.217 0.000 0.622 317 A CB -0.403 18.461 19.000 -0.227 0.000 0.824 317 A HN 0.425 nan 8.150 nan 0.000 0.444 318 N N 0.771 119.366 118.700 -0.175 0.000 2.588 318 N HA -0.112 4.628 4.740 0.000 0.000 0.190 318 N C 1.402 176.853 175.510 -0.100 0.000 1.094 318 N CA 1.065 54.029 53.050 -0.143 0.000 0.921 318 N CB -0.196 38.211 38.487 -0.133 0.000 0.959 318 N HN 0.535 nan 8.380 nan 0.000 0.448 319 A N 0.509 123.281 122.820 -0.080 0.000 2.178 319 A HA 0.390 4.710 4.320 0.000 0.000 0.211 319 A C 1.253 178.790 177.584 -0.077 0.000 1.157 319 A CA 0.662 52.679 52.037 -0.034 0.000 0.780 319 A CB -0.240 18.785 19.000 0.041 0.000 0.828 319 A HN 0.335 nan 8.150 nan 0.000 0.476 320 G N -1.236 107.461 108.800 -0.171 0.000 2.877 320 G HA2 -0.145 3.815 3.960 0.000 0.000 0.279 320 G HA3 -0.145 3.815 3.960 0.000 0.000 0.279 320 G C -0.313 174.448 174.900 -0.232 0.000 1.431 320 G CA -0.192 44.778 45.100 -0.218 0.000 0.883 320 G HN 0.490 nan 8.290 nan 0.000 0.547 321 F N 0.621 120.582 119.950 0.019 0.000 2.380 321 F HA 0.570 5.097 4.527 0.000 0.000 0.325 321 F C 1.726 177.520 175.800 -0.009 0.000 1.136 321 F CA 0.155 58.156 58.000 0.002 0.000 1.171 321 F CB 0.792 39.794 39.000 0.003 0.000 1.230 321 F HN 0.825 nan 8.300 nan 0.000 0.554 322 T N -0.975 113.689 114.554 0.184 0.000 2.748 322 T HA 0.317 4.668 4.350 0.000 0.000 0.304 322 T C 1.125 175.877 174.700 0.087 0.000 1.041 322 T CA -0.267 61.887 62.100 0.089 0.000 1.033 322 T CB 0.893 69.790 68.868 0.048 0.000 0.995 322 T HN 0.710 nan 8.240 nan 0.000 0.536 323 A N 0.004 122.851 122.820 0.045 0.000 1.898 323 A HA -0.028 4.292 4.320 0.000 0.000 0.216 323 A C 2.344 179.925 177.584 -0.005 0.000 1.181 323 A CA 1.756 53.807 52.037 0.025 0.000 0.620 323 A CB -1.161 17.852 19.000 0.021 0.000 0.819 323 A HN 1.049 nan 8.150 nan 0.000 0.442 324 E N -0.687 119.509 120.200 -0.007 0.000 2.110 324 E HA -0.233 4.117 4.350 0.000 0.000 0.193 324 E C 2.293 178.864 176.600 -0.049 0.000 0.988 324 E CA 0.903 57.286 56.400 -0.027 0.000 0.804 324 E CB -0.119 29.565 29.700 -0.026 0.000 0.745 324 E HN 0.357 nan 8.360 nan 0.000 0.458 325 R N 0.250 120.729 120.500 -0.035 0.000 2.075 325 R HA -0.054 4.287 4.340 0.000 0.000 0.232 325 R C 2.164 178.348 176.300 -0.194 0.000 1.126 325 R CA 1.228 57.281 56.100 -0.077 0.000 0.963 325 R CB -0.618 29.689 30.300 0.012 0.000 0.858 325 R HN 0.276 nan 8.270 nan 0.000 0.435 326 A N 0.785 123.511 122.820 -0.155 0.000 1.865 326 A HA -0.187 4.133 4.320 0.000 0.000 0.217 326 A C 2.304 179.749 177.584 -0.230 0.000 1.191 326 A CA 1.606 53.498 52.037 -0.242 0.000 0.623 326 A CB -0.502 18.434 19.000 -0.106 0.000 0.826 326 A HN 0.276 nan 8.150 nan 0.000 0.444 327 R N -0.857 119.557 120.500 -0.142 0.000 2.091 327 R HA -0.192 4.149 4.340 0.000 0.000 0.238 327 R C 2.580 178.806 176.300 -0.125 0.000 1.136 327 R CA 1.809 57.840 56.100 -0.114 0.000 0.959 327 R CB -0.280 29.981 30.300 -0.064 0.000 0.856 327 R HN 0.802 nan 8.270 nan 0.000 0.437 328 Q N 0.496 120.219 119.800 -0.129 0.000 2.119 328 Q HA -0.159 4.181 4.340 0.000 0.000 0.201 328 Q C 1.974 177.878 176.000 -0.160 0.000 0.972 328 Q CA 1.296 57.027 55.803 -0.120 0.000 0.847 328 Q CB 0.037 28.714 28.738 -0.101 0.000 0.903 328 Q HN 0.380 nan 8.270 nan 0.000 0.433 329 L N 0.656 121.735 121.223 -0.239 0.000 2.056 329 L HA -0.150 4.191 4.340 0.000 0.000 0.207 329 L C 2.716 179.436 176.870 -0.251 0.000 1.078 329 L CA 1.382 56.050 54.840 -0.286 0.000 0.749 329 L CB -0.490 41.295 42.059 -0.457 0.000 0.901 329 L HN 0.294 nan 8.230 nan 0.000 0.433 330 S N -0.504 115.047 115.700 -0.248 0.000 2.419 330 S HA -0.193 4.277 4.470 0.000 0.000 0.233 330 S C 2.060 176.580 174.600 -0.134 0.000 1.016 330 S CA 0.783 58.862 58.200 -0.202 0.000 0.974 330 S CB -0.384 62.694 63.200 -0.204 0.000 0.786 330 S HN 0.351 nan 8.310 nan 0.000 0.492 331 R N 0.496 120.925 120.500 -0.119 0.000 2.090 331 R HA 0.226 4.567 4.340 0.000 0.000 0.228 331 R C 2.236 178.484 176.300 -0.086 0.000 1.110 331 R CA 1.074 57.124 56.100 -0.084 0.000 0.973 331 R CB -0.376 29.881 30.300 -0.071 0.000 0.869 331 R HN 0.419 nan 8.270 nan 0.000 0.440 332 L N -0.035 121.122 121.223 -0.110 0.000 2.072 332 L HA -0.056 4.284 4.340 0.000 0.000 0.205 332 L C 1.349 178.151 176.870 -0.114 0.000 1.079 332 L CA 0.997 55.775 54.840 -0.104 0.000 0.752 332 L CB -0.394 41.595 42.059 -0.116 0.000 0.906 332 L HN 0.279 nan 8.230 nan 0.000 0.436 333 T N -3.090 111.373 114.554 -0.151 0.000 2.897 333 T HA 0.431 4.781 4.350 0.000 0.000 0.278 333 T C 0.605 175.233 174.700 -0.120 0.000 0.981 333 T CA -0.262 61.742 62.100 -0.159 0.000 0.973 333 T CB 1.551 70.280 68.868 -0.231 0.000 1.092 333 T HN 0.123 nan 8.240 nan 0.000 0.543 334 G N 1.231 109.973 108.800 -0.097 0.000 4.178 334 G HA2 0.494 4.455 3.960 0.000 0.000 0.287 334 G HA3 0.494 4.455 3.960 0.000 0.000 0.287 334 G C -0.046 174.812 174.900 -0.071 0.000 1.293 334 G CA -0.398 44.661 45.100 -0.069 0.000 1.393 334 G HN 1.139 nan 8.290 nan 0.000 0.623 335 T N -3.023 111.471 114.554 -0.099 0.000 2.982 335 T HA 0.336 4.686 4.350 0.000 0.000 0.321 335 T C -0.850 173.800 174.700 -0.083 0.000 1.229 335 T CA -0.882 61.165 62.100 -0.087 0.000 1.044 335 T CB 1.855 70.639 68.868 -0.141 0.000 1.184 335 T HN 0.241 nan 8.240 nan 0.000 0.477 336 H N 1.758 120.759 119.070 -0.114 0.000 2.848 336 H HA 0.453 5.009 4.556 0.000 0.000 0.341 336 H C -1.167 174.085 175.328 -0.128 0.000 1.060 336 H CA 0.159 56.147 56.048 -0.099 0.000 1.444 336 H CB 0.709 30.436 29.762 -0.059 0.000 1.446 336 H HN 0.504 nan 8.280 nan 0.000 0.583 337 V N 8.817 128.340 119.914 -0.652 0.000 2.487 337 V HA 0.234 4.354 4.120 0.000 0.000 0.298 337 V C -1.861 173.908 176.094 -0.543 0.000 1.028 337 V CA -1.514 60.498 62.300 -0.481 0.000 0.860 337 V CB 1.592 33.166 31.823 -0.415 0.000 0.991 337 V HN 0.788 nan 8.190 nan 0.000 0.427 338 P HA 0.378 nan 4.420 nan 0.000 0.271 338 P C -0.215 177.161 177.300 0.127 0.000 1.244 338 P CA 0.180 63.308 63.100 0.047 0.000 0.793 338 P CB 1.699 33.527 31.700 0.214 0.000 0.984 339 A N 0.018 122.916 122.820 0.130 0.000 2.254 339 A HA 0.733 5.053 4.320 0.000 0.000 0.186 339 A C 0.446 178.093 177.584 0.104 0.000 1.413 339 A CA 0.410 52.534 52.037 0.145 0.000 1.742 339 A CB -0.154 18.901 19.000 0.093 0.000 2.016 339 A HN 0.882 nan 8.150 nan 0.000 0.796 340 G N -0.873 107.974 108.800 0.077 0.000 2.722 340 G HA2 0.443 4.403 3.960 0.000 0.000 0.686 340 G HA3 0.443 4.403 3.960 0.000 0.000 0.686 340 G C 0.650 175.572 174.900 0.036 0.000 1.282 340 G CA 0.685 45.817 45.100 0.054 0.000 0.817 340 G HN 3.010 nan 8.290 nan 0.000 0.605 341 T N -1.763 112.808 114.554 0.027 0.000 3.716 341 T HA 0.315 4.665 4.350 0.000 0.000 0.395 341 T C 2.312 177.020 174.700 0.013 0.000 0.763 341 T CA 1.012 63.123 62.100 0.018 0.000 2.091 341 T CB -1.867 67.010 68.868 0.015 0.000 1.750 341 T HN 3.151 nan 8.240 nan 0.000 0.788 342 G N 2.470 111.278 108.800 0.013 0.000 2.549 342 G HA2 -0.009 3.952 3.960 0.000 0.000 0.338 342 G HA3 -0.009 3.952 3.960 0.000 0.000 0.338 342 G C 0.538 175.439 174.900 0.001 0.000 1.342 342 G CA 1.254 46.357 45.100 0.006 0.000 0.935 342 G HN 2.618 nan 8.290 nan 0.000 0.534 343 T N -2.705 111.843 114.554 -0.009 0.000 3.487 343 T HA 0.516 4.866 4.350 0.000 0.000 0.287 343 T C 0.113 174.786 174.700 -0.044 0.000 1.004 343 T CA 0.806 62.893 62.100 -0.021 0.000 0.977 343 T CB 0.519 69.379 68.868 -0.014 0.000 1.180 343 T HN 0.763 nan 8.240 nan 0.000 0.490 344 E N 1.537 121.704 120.200 -0.056 0.000 2.324 344 E HA 0.448 4.799 4.350 0.000 0.000 0.271 344 E C 0.775 177.267 176.600 -0.180 0.000 1.028 344 E CA 0.414 56.760 56.400 -0.089 0.000 0.890 344 E CB 0.249 29.907 29.700 -0.070 0.000 1.004 344 E HN 0.694 nan 8.360 nan 0.000 0.431 345 A N 3.296 125.998 122.820 -0.197 0.000 2.930 345 A HA -0.261 4.059 4.320 0.000 0.000 0.273 345 A C 1.325 178.782 177.584 -0.212 0.000 1.435 345 A CA 0.970 52.831 52.037 -0.294 0.000 0.780 345 A CB -2.236 16.338 19.000 -0.709 0.000 1.034 345 A HN 0.867 nan 8.150 nan 0.000 0.562 346 A N 0.336 123.089 122.820 -0.112 0.000 1.892 346 A HA -0.038 4.282 4.320 0.000 0.000 0.218 346 A C 2.521 180.080 177.584 -0.041 0.000 1.188 346 A CA 2.603 54.604 52.037 -0.060 0.000 0.631 346 A CB -1.165 17.817 19.000 -0.029 0.000 0.822 346 A HN 2.054 nan 8.150 nan 0.000 0.447 347 S N -0.304 115.376 115.700 -0.033 0.000 2.399 347 S HA -0.096 4.374 4.470 0.000 0.000 0.231 347 S C 1.866 176.461 174.600 -0.009 0.000 1.022 347 S CA 1.360 59.559 58.200 -0.003 0.000 0.983 347 S CB -0.516 62.697 63.200 0.022 0.000 0.803 347 S HN 0.479 nan 8.310 nan 0.000 0.480 348 L N 0.966 122.136 121.223 -0.088 0.000 2.071 348 L HA 0.040 4.380 4.340 0.000 0.000 0.201 348 L C 2.875 179.673 176.870 -0.120 0.000 1.076 348 L CA 0.974 55.722 54.840 -0.154 0.000 0.755 348 L CB -0.239 41.559 42.059 -0.435 0.000 0.915 348 L HN 0.201 nan 8.230 nan 0.000 0.445 349 R N 0.225 120.638 120.500 -0.145 0.000 2.133 349 R HA -0.233 4.107 4.340 0.000 0.000 0.245 349 R C 1.505 177.783 176.300 -0.037 0.000 1.137 349 R CA 2.057 58.081 56.100 -0.127 0.000 0.947 349 R CB -0.658 29.573 30.300 -0.115 0.000 0.865 349 R HN 0.362 nan 8.270 nan 0.000 0.437 350 D N -0.382 120.061 120.400 0.072 0.000 2.403 350 D HA -0.060 4.580 4.640 0.000 0.000 0.227 350 D C 0.590 177.019 176.300 0.215 0.000 0.995 350 D CA 1.045 55.181 54.000 0.226 0.000 0.928 350 D CB 0.104 40.986 40.800 0.135 0.000 0.887 350 D HN 0.323 nan 8.370 nan 0.000 0.529 351 S N -1.145 114.637 115.700 0.138 0.000 3.021 351 S HA 0.283 4.753 4.470 0.000 0.000 0.252 351 S C -0.019 174.651 174.600 0.117 0.000 0.996 351 S CA -0.646 57.636 58.200 0.136 0.000 1.084 351 S CB -0.051 63.210 63.200 0.100 0.000 1.021 351 S HN -0.030 nan 8.310 nan 0.000 0.566 352 L N 0.811 122.081 121.223 0.078 0.000 2.303 352 L HA 0.835 5.175 4.340 0.000 0.000 0.266 352 L C -0.712 176.187 176.870 0.047 0.000 1.011 352 L CA -0.950 53.896 54.840 0.010 0.000 0.818 352 L CB 2.207 44.198 42.059 -0.113 0.000 1.326 352 L HN 0.421 nan 8.230 nan 0.000 0.435 353 C N 2.642 121.958 119.300 0.028 0.000 3.122 353 C HA 0.450 4.910 4.460 0.000 0.000 0.415 353 C C -1.550 173.448 174.990 0.014 0.000 1.033 353 C CA -0.885 58.187 59.018 0.089 0.000 1.262 353 C CB -0.098 27.811 27.740 0.281 0.000 1.641 353 C HN 0.544 nan 8.230 nan 0.000 0.540 354 L N 5.160 126.315 121.223 -0.114 0.000 2.322 354 L HA 0.816 5.156 4.340 0.000 0.000 0.279 354 L C 0.043 176.794 176.870 -0.197 0.000 1.036 354 L CA -0.594 54.161 54.840 -0.143 0.000 0.807 354 L CB 0.297 42.239 42.059 -0.194 0.000 1.226 354 L HN 0.541 nan 8.230 nan 0.000 0.433 355 L N 1.519 122.685 121.223 -0.095 0.000 2.439 355 L HA 0.628 4.968 4.340 0.000 0.000 0.259 355 L C -0.019 176.773 176.870 -0.128 0.000 1.129 355 L CA -0.451 54.357 54.840 -0.054 0.000 0.803 355 L CB 0.996 43.085 42.059 0.050 0.000 1.161 355 L HN 0.633 nan 8.230 nan 0.000 0.462 356 Q N 0.224 119.981 119.800 -0.071 0.000 2.421 356 Q HA 0.356 4.696 4.340 0.000 0.000 0.280 356 Q C -1.056 174.972 176.000 0.045 0.000 1.085 356 Q CA -0.913 54.856 55.803 -0.056 0.000 0.807 356 Q CB 2.309 30.975 28.738 -0.119 0.000 1.405 356 Q HN 0.205 nan 8.270 nan 0.000 0.419 357 K N 0.165 120.588 120.400 0.038 0.000 2.286 357 K HA 0.260 4.580 4.320 0.000 0.000 0.256 357 K C -0.545 176.115 176.600 0.101 0.000 0.999 357 K CA 0.405 56.727 56.287 0.058 0.000 0.908 357 K CB 0.368 32.891 32.500 0.038 0.000 0.981 357 K HN 0.715 nan 8.250 nan 0.000 0.500 358 S N 0.941 116.707 115.700 0.111 0.000 2.667 358 S HA 0.332 4.802 4.470 0.000 0.000 0.292 358 S C -0.883 173.834 174.600 0.194 0.000 1.108 358 S CA -0.688 57.605 58.200 0.155 0.000 0.992 358 S CB 0.050 63.337 63.200 0.145 0.000 1.269 358 S HN 0.506 nan 8.310 nan 0.000 0.528 359 Y N 1.978 122.312 120.300 0.056 0.000 2.313 359 Y HA 0.681 5.231 4.550 0.000 0.000 0.332 359 Y C 0.110 176.032 175.900 0.035 0.000 1.071 359 Y CA -0.847 57.282 58.100 0.049 0.000 1.169 359 Y CB 0.321 38.817 38.460 0.059 0.000 1.192 359 Y HN 0.533 nan 8.280 nan 0.000 0.487 360 R N 4.618 125.014 120.500 -0.173 0.000 2.747 360 R HA 0.265 4.606 4.340 0.000 0.000 0.272 360 R C -1.414 174.808 176.300 -0.130 0.000 1.032 360 R CA -0.821 55.048 56.100 -0.384 0.000 0.896 360 R CB 0.957 31.119 30.300 -0.231 0.000 1.253 360 R HN 0.642 nan 8.270 nan 0.000 0.461 361 F N -0.576 119.296 119.950 -0.129 0.000 2.380 361 F HA 0.673 5.200 4.527 0.000 0.000 0.319 361 F C 0.983 176.803 175.800 0.033 0.000 1.113 361 F CA 0.413 58.421 58.000 0.014 0.000 1.056 361 F CB 0.318 39.316 39.000 -0.003 0.000 1.289 361 F HN 0.810 nan 8.300 nan 0.000 0.515 362 G N 1.474 110.550 108.800 0.461 0.000 2.652 362 G HA2 -0.044 3.916 3.960 0.000 0.000 0.278 362 G HA3 -0.044 3.916 3.960 0.000 0.000 0.278 362 G C -0.232 174.740 174.900 0.120 0.000 1.263 362 G CA 0.137 45.392 45.100 0.258 0.000 0.966 362 G HN 1.281 nan 8.290 nan 0.000 0.544 363 S N -1.228 114.482 115.700 0.017 0.000 2.727 363 S HA 0.637 5.107 4.470 0.000 0.000 0.278 363 S C -0.257 174.318 174.600 -0.043 0.000 1.186 363 S CA 0.493 58.707 58.200 0.023 0.000 0.836 363 S CB 2.008 65.252 63.200 0.074 0.000 1.186 363 S HN 0.933 nan 8.310 nan 0.000 0.499 364 D N 0.016 120.385 120.400 -0.052 0.000 2.460 364 D HA 0.275 4.916 4.640 0.000 0.000 0.263 364 D C 0.086 176.302 176.300 -0.139 0.000 1.209 364 D CA 0.137 54.088 54.000 -0.082 0.000 0.818 364 D CB 0.299 41.068 40.800 -0.053 0.000 1.239 364 D HN 0.353 nan 8.370 nan 0.000 0.530 365 S N -0.222 115.380 115.700 -0.163 0.000 2.555 365 S HA 0.317 4.787 4.470 0.000 0.000 0.270 365 S C 1.363 175.615 174.600 -0.579 0.000 1.365 365 S CA 1.234 59.197 58.200 -0.394 0.000 1.009 365 S CB -0.131 62.854 63.200 -0.358 0.000 0.818 365 S HN 0.698 nan 8.310 nan 0.000 0.504 366 G N 0.786 108.949 108.800 -1.062 0.000 2.728 366 G HA2 -0.287 3.673 3.960 0.000 0.000 0.269 366 G HA3 -0.287 3.673 3.960 0.000 0.000 0.269 366 G C 0.720 175.369 174.900 -0.418 0.000 1.334 366 G CA 0.224 44.861 45.100 -0.772 0.000 0.974 366 G HN 0.639 nan 8.290 nan 0.000 0.550 367 I N 2.758 123.160 120.570 -0.280 0.000 2.264 367 I HA -0.031 4.139 4.170 0.000 0.000 0.248 367 I C 3.070 179.078 176.117 -0.182 0.000 1.111 367 I CA 1.883 63.062 61.300 -0.200 0.000 1.382 367 I CB -0.837 37.061 38.000 -0.171 0.000 1.060 367 I HN 0.650 nan 8.210 nan 0.000 0.418 368 G N 0.148 108.832 108.800 -0.194 0.000 2.739 368 G HA2 -0.370 3.591 3.960 0.000 0.000 0.216 368 G HA3 -0.370 3.591 3.960 0.000 0.000 0.216 368 G C 1.452 176.285 174.900 -0.111 0.000 1.298 368 G CA 1.032 46.048 45.100 -0.140 0.000 0.804 368 G HN 0.269 nan 8.290 nan 0.000 0.623 369 Q N -0.568 119.152 119.800 -0.135 0.000 2.096 369 Q HA -0.135 4.205 4.340 0.000 0.000 0.208 369 Q C 2.495 178.468 176.000 -0.046 0.000 0.993 369 Q CA 1.672 57.435 55.803 -0.066 0.000 0.862 369 Q CB -0.530 28.189 28.738 -0.032 0.000 0.915 369 Q HN 0.436 nan 8.270 nan 0.000 0.416 370 L N -0.006 121.170 121.223 -0.077 0.000 1.990 370 L HA -0.192 4.148 4.340 0.000 0.000 0.213 370 L C 1.990 178.848 176.870 -0.019 0.000 1.072 370 L CA 2.434 57.245 54.840 -0.049 0.000 0.755 370 L CB -1.255 40.760 42.059 -0.073 0.000 0.889 370 L HN 0.227 nan 8.230 nan 0.000 0.432 371 A N -0.316 122.486 122.820 -0.030 0.000 1.859 371 A HA -0.208 4.112 4.320 0.000 0.000 0.217 371 A C 2.489 180.153 177.584 0.135 0.000 1.198 371 A CA 2.681 54.740 52.037 0.035 0.000 0.629 371 A CB -1.479 17.494 19.000 -0.046 0.000 0.830 371 A HN 0.655 nan 8.150 nan 0.000 0.446 372 A N -0.269 122.591 122.820 0.068 0.000 1.873 372 A HA 0.057 4.377 4.320 0.000 0.000 0.218 372 A C 2.590 180.190 177.584 0.026 0.000 1.193 372 A CA 2.854 54.919 52.037 0.048 0.000 0.629 372 A CB -1.360 17.651 19.000 0.017 0.000 0.826 372 A HN 1.313 nan 8.150 nan 0.000 0.447 373 A N 0.239 123.068 122.820 0.016 0.000 1.869 373 A HA -0.209 4.112 4.320 0.000 0.000 0.218 373 A C 2.009 179.597 177.584 0.007 0.000 1.203 373 A CA 1.994 54.033 52.037 0.003 0.000 0.638 373 A CB -0.771 18.227 19.000 -0.004 0.000 0.831 373 A HN 0.487 nan 8.150 nan 0.000 0.450 374 I N 0.399 120.989 120.570 0.034 0.000 2.315 374 I HA -0.209 3.961 4.170 0.000 0.000 0.251 374 I C 1.084 177.213 176.117 0.019 0.000 1.125 374 I CA 1.334 62.663 61.300 0.049 0.000 1.392 374 I CB -1.603 36.465 38.000 0.113 0.000 1.065 374 I HN 0.278 nan 8.210 nan 0.000 0.424 375 N N 0.920 119.616 118.700 -0.007 0.000 2.535 375 N HA -0.053 4.687 4.740 0.000 0.000 0.203 375 N C 1.173 176.625 175.510 -0.096 0.000 1.301 375 N CA 0.358 53.334 53.050 -0.124 0.000 0.859 375 N CB 0.236 38.593 38.487 -0.216 0.000 1.055 375 N HN 0.377 nan 8.380 nan 0.000 0.457 376 R N -1.946 118.520 120.500 -0.057 0.000 5.346 376 R HA 0.260 4.601 4.340 0.000 0.000 0.089 376 R C 0.270 176.547 176.300 -0.037 0.000 0.653 376 R CA 0.275 56.344 56.100 -0.052 0.000 0.754 376 R CB -0.543 29.726 30.300 -0.050 0.000 0.957 376 R HN 0.071 nan 8.270 nan 0.000 0.374 377 G N 0.232 109.014 108.800 -0.030 0.000 2.489 377 G HA2 0.331 4.291 3.960 0.000 0.000 0.327 377 G HA3 0.331 4.291 3.960 0.000 0.000 0.327 377 G C 0.013 174.898 174.900 -0.026 0.000 1.189 377 G CA -0.231 44.853 45.100 -0.026 0.000 0.962 377 G HN 0.182 nan 8.290 nan 0.000 0.486 378 D N 0.131 120.515 120.400 -0.026 0.000 2.077 378 D HA -0.117 4.523 4.640 0.000 0.000 0.193 378 D C 2.308 178.584 176.300 -0.039 0.000 0.989 378 D CA 1.099 55.080 54.000 -0.032 0.000 0.831 378 D CB 0.188 40.972 40.800 -0.025 0.000 0.979 378 D HN 0.449 nan 8.370 nan 0.000 0.449 379 K N 0.169 120.553 120.400 -0.026 0.000 2.089 379 K HA -0.164 4.156 4.320 0.000 0.000 0.210 379 K C 2.182 178.763 176.600 -0.031 0.000 1.048 379 K CA 1.831 58.105 56.287 -0.021 0.000 0.926 379 K CB -0.402 32.095 32.500 -0.005 0.000 0.714 379 K HN 0.208 nan 8.250 nan 0.000 0.448 380 T N 1.017 115.556 114.554 -0.024 0.000 2.622 380 T HA -0.191 4.159 4.350 0.000 0.000 0.266 380 T C 2.197 176.875 174.700 -0.036 0.000 1.047 380 T CA 1.435 63.523 62.100 -0.019 0.000 1.159 380 T CB -0.522 68.338 68.868 -0.013 0.000 0.863 380 T HN 0.341 nan 8.240 nan 0.000 0.422 381 A N 1.075 123.866 122.820 -0.049 0.000 1.902 381 A HA -0.004 4.316 4.320 0.000 0.000 0.217 381 A C 2.652 180.160 177.584 -0.127 0.000 1.181 381 A CA 1.439 53.436 52.037 -0.066 0.000 0.623 381 A CB -1.117 17.851 19.000 -0.054 0.000 0.818 381 A HN 0.362 nan 8.150 nan 0.000 0.443 382 V N 0.161 119.971 119.914 -0.173 0.000 2.407 382 V HA -0.194 3.926 4.120 0.000 0.000 0.248 382 V C 1.855 177.629 176.094 -0.533 0.000 1.055 382 V CA 1.977 64.071 62.300 -0.343 0.000 1.049 382 V CB -0.606 31.043 31.823 -0.290 0.000 0.662 382 V HN 0.485 nan 8.190 nan 0.000 0.455 383 K N 0.306 120.536 120.400 -0.283 0.000 2.706 383 K HA 0.038 4.359 4.320 0.000 0.000 0.217 383 K C 0.987 177.549 176.600 -0.064 0.000 1.019 383 K CA 0.772 56.959 56.287 -0.166 0.000 1.181 383 K CB -0.144 32.346 32.500 -0.016 0.000 0.940 383 K HN 0.624 nan 8.250 nan 0.000 0.491 384 T N -3.055 111.448 114.554 -0.085 0.000 3.004 384 T HA 0.055 4.405 4.350 0.000 0.000 0.266 384 T C 1.627 176.382 174.700 0.091 0.000 0.986 384 T CA -0.229 61.920 62.100 0.082 0.000 0.902 384 T CB 0.334 69.267 68.868 0.110 0.000 1.118 384 T HN -0.091 nan 8.240 nan 0.000 0.522 385 V N 0.820 120.694 119.914 -0.068 0.000 2.283 385 V HA 0.064 4.184 4.120 0.000 0.000 0.239 385 V C 2.089 178.240 176.094 0.096 0.000 1.035 385 V CA 1.043 63.328 62.300 -0.024 0.000 1.018 385 V CB -0.892 30.844 31.823 -0.145 0.000 0.658 385 V HN 0.214 nan 8.190 nan 0.000 0.459 386 F N 0.060 120.004 119.950 -0.011 0.000 2.011 386 F HA -0.107 4.420 4.527 0.000 0.000 0.296 386 F C 1.634 177.385 175.800 -0.081 0.000 1.144 386 F CA 0.398 58.376 58.000 -0.036 0.000 1.185 386 F CB -1.399 37.585 39.000 -0.026 0.000 0.961 386 F HN 0.123 nan 8.300 nan 0.000 0.485 387 Q N 1.642 121.512 119.800 0.116 0.000 2.348 387 Q HA -0.177 4.163 4.340 0.000 0.000 0.331 387 Q C 1.093 176.887 176.000 -0.345 0.000 1.099 387 Q CA 0.626 56.384 55.803 -0.075 0.000 1.021 387 Q CB 0.126 28.833 28.738 -0.052 0.000 1.166 387 Q HN 0.496 nan 8.270 nan 0.000 0.393 388 Q N 1.023 120.599 119.800 -0.373 0.000 2.178 388 Q HA -0.341 4.000 4.340 0.000 0.000 0.206 388 Q C -0.621 175.136 176.000 -0.404 0.000 0.782 388 Q CA 1.186 56.699 55.803 -0.483 0.000 1.422 388 Q CB -0.852 27.384 28.738 -0.837 0.000 1.967 388 Q HN 0.735 nan 8.270 nan 0.000 0.593 389 D N -1.471 118.755 120.400 -0.291 0.000 2.803 389 D HA -0.206 4.434 4.640 0.000 0.000 0.233 389 D C -0.179 176.069 176.300 -0.087 0.000 1.182 389 D CA 0.867 54.797 54.000 -0.117 0.000 0.726 389 D CB -1.582 39.181 40.800 -0.061 0.000 0.987 389 D HN 0.439 nan 8.370 nan 0.000 0.412 390 F N -0.009 119.942 119.950 0.003 0.000 2.649 390 F HA -0.222 4.305 4.527 0.000 0.000 0.293 390 F C 2.431 178.219 175.800 -0.020 0.000 1.210 390 F CA 0.880 58.874 58.000 -0.011 0.000 1.486 390 F CB -0.646 38.342 39.000 -0.021 0.000 1.121 390 F HN 0.407 nan 8.300 nan 0.000 0.616 391 T N -2.200 112.427 114.554 0.122 0.000 9.025 391 T HA -0.489 3.862 4.350 0.000 0.000 0.320 391 T C 1.362 176.089 174.700 0.046 0.000 1.503 391 T CA 1.981 64.120 62.100 0.065 0.000 1.991 391 T CB -1.227 67.667 68.868 0.043 0.000 2.352 391 T HN 0.497 nan 8.240 nan 0.000 0.878 392 D N 2.857 123.283 120.400 0.042 0.000 2.036 392 D HA 0.035 4.676 4.640 0.000 0.000 0.236 392 D C 2.322 178.591 176.300 -0.052 0.000 0.976 392 D CA 1.297 55.291 54.000 -0.009 0.000 0.918 392 D CB -0.672 40.124 40.800 -0.008 0.000 1.094 392 D HN 0.581 nan 8.370 nan 0.000 0.459 393 I N 1.352 121.886 120.570 -0.060 0.000 2.345 393 I HA -0.320 3.850 4.170 0.000 0.000 0.228 393 I C 1.305 177.352 176.117 -0.117 0.000 0.960 393 I CA 1.697 62.925 61.300 -0.119 0.000 1.262 393 I CB -0.812 37.086 38.000 -0.170 0.000 0.969 393 I HN 0.120 nan 8.210 nan 0.000 0.385 394 E N 0.896 121.064 120.200 -0.052 0.000 2.314 394 E HA 0.295 4.645 4.350 0.000 0.000 0.262 394 E C -0.175 176.412 176.600 -0.021 0.000 1.093 394 E CA -0.237 56.141 56.400 -0.035 0.000 0.908 394 E CB 0.912 30.622 29.700 0.016 0.000 1.091 394 E HN 0.281 nan 8.360 nan 0.000 0.425 395 K N 1.670 122.044 120.400 -0.044 0.000 3.413 395 K HA 0.119 4.439 4.320 0.000 0.000 0.170 395 K C -0.822 175.698 176.600 -0.134 0.000 1.005 395 K CA -0.230 56.022 56.287 -0.058 0.000 0.925 395 K CB 0.714 33.194 32.500 -0.034 0.000 0.686 395 K HN 0.305 nan 8.250 nan 0.000 0.432 396 R N 0.875 121.308 120.500 -0.111 0.000 2.598 396 R HA 0.039 4.379 4.340 0.000 0.000 0.266 396 R C -0.160 176.020 176.300 -0.199 0.000 0.977 396 R CA 0.609 56.620 56.100 -0.148 0.000 1.097 396 R CB 0.094 30.346 30.300 -0.079 0.000 0.911 396 R HN 0.115 nan 8.270 nan 0.000 0.419 397 L N 1.922 122.990 121.223 -0.258 0.000 2.466 397 L HA 0.325 4.665 4.340 0.000 0.000 0.258 397 L C -0.466 176.358 176.870 -0.077 0.000 0.973 397 L CA -0.874 53.835 54.840 -0.218 0.000 0.826 397 L CB 2.036 43.821 42.059 -0.456 0.000 1.372 397 L HN 0.510 nan 8.230 nan 0.000 0.409 398 L N 0.371 121.593 121.223 -0.002 0.000 2.356 398 L HA 0.494 4.834 4.340 0.000 0.000 0.282 398 L C -0.268 176.659 176.870 0.096 0.000 1.132 398 L CA -0.164 54.702 54.840 0.044 0.000 0.923 398 L CB 0.399 42.484 42.059 0.044 0.000 1.278 398 L HN 0.648 nan 8.230 nan 0.000 0.436 399 Q N 3.326 123.202 119.800 0.128 0.000 2.390 399 Q HA 0.484 4.824 4.340 0.000 0.000 0.249 399 Q C -0.900 175.198 176.000 0.162 0.000 0.996 399 Q CA -0.149 55.766 55.803 0.186 0.000 0.899 399 Q CB 1.026 29.916 28.738 0.254 0.000 1.216 399 Q HN 0.833 nan 8.270 nan 0.000 0.465 400 S N 2.378 118.176 115.700 0.162 0.000 2.604 400 S HA 0.596 5.066 4.470 0.000 0.000 0.296 400 S C -0.121 174.554 174.600 0.125 0.000 1.097 400 S CA 0.369 58.652 58.200 0.138 0.000 0.883 400 S CB 0.856 64.110 63.200 0.091 0.000 1.081 400 S HN 1.081 nan 8.310 nan 0.000 0.448 401 G N 4.338 113.206 108.800 0.114 0.000 2.866 401 G HA2 -0.226 3.734 3.960 0.000 0.000 0.274 401 G HA3 -0.226 3.734 3.960 0.000 0.000 0.274 401 G C 0.184 175.147 174.900 0.105 0.000 1.413 401 G CA 0.664 45.818 45.100 0.090 0.000 0.997 401 G HN 0.801 nan 8.290 nan 0.000 0.559 402 E N 1.052 121.321 120.200 0.114 0.000 2.562 402 E HA 0.222 4.572 4.350 0.000 0.000 0.214 402 E C 0.446 177.138 176.600 0.153 0.000 0.979 402 E CA 0.204 56.683 56.400 0.131 0.000 1.002 402 E CB 0.546 30.306 29.700 0.100 0.000 1.048 402 E HN 0.460 nan 8.360 nan 0.000 0.488 403 D N 0.427 120.919 120.400 0.152 0.000 2.352 403 D HA -0.111 4.529 4.640 0.000 0.000 0.232 403 D C 0.987 177.386 176.300 0.165 0.000 1.055 403 D CA 0.432 54.516 54.000 0.139 0.000 0.891 403 D CB 0.082 40.959 40.800 0.128 0.000 0.897 403 D HN 0.280 nan 8.370 nan 0.000 0.529 404 Y N 1.110 121.447 120.300 0.062 0.000 2.337 404 Y HA -0.055 4.495 4.550 0.000 0.000 0.293 404 Y C 1.857 177.739 175.900 -0.031 0.000 1.123 404 Y CA 0.958 59.082 58.100 0.040 0.000 1.201 404 Y CB 0.006 38.493 38.460 0.045 0.000 1.011 404 Y HN -0.150 nan 8.280 nan 0.000 0.545 405 I N 0.053 120.678 120.570 0.091 0.000 2.876 405 I HA -0.045 4.125 4.170 0.000 0.000 0.264 405 I C 2.503 178.557 176.117 -0.105 0.000 1.204 405 I CA 0.958 62.238 61.300 -0.033 0.000 1.485 405 I CB -0.646 37.442 38.000 0.145 0.000 1.103 405 I HN 0.223 nan 8.210 nan 0.000 0.446 406 A N 1.108 123.919 122.820 -0.015 0.000 1.898 406 A HA -0.178 4.142 4.320 0.000 0.000 0.216 406 A C 2.377 179.935 177.584 -0.043 0.000 1.181 406 A CA 1.548 53.592 52.037 0.011 0.000 0.620 406 A CB -0.546 18.496 19.000 0.069 0.000 0.819 406 A HN 0.395 nan 8.150 nan 0.000 0.442 407 M N 0.028 119.577 119.600 -0.085 0.000 2.086 407 M HA -0.093 4.387 4.480 0.000 0.000 0.261 407 M C 1.988 178.064 176.300 -0.373 0.000 1.067 407 M CA 1.786 56.978 55.300 -0.179 0.000 1.116 407 M CB -0.920 31.466 32.600 -0.357 0.000 1.348 407 M HN 0.398 nan 8.290 nan 0.000 0.407 408 L N 0.314 121.203 121.223 -0.557 0.000 2.137 408 L HA -0.267 4.074 4.340 0.000 0.000 0.213 408 L C 2.378 178.879 176.870 -0.616 0.000 1.085 408 L CA 1.510 55.915 54.840 -0.725 0.000 0.760 408 L CB -0.611 40.738 42.059 -1.184 0.000 0.893 408 L HN 0.425 nan 8.230 nan 0.000 0.434 409 E N 0.016 119.962 120.200 -0.423 0.000 2.016 409 E HA -0.189 4.161 4.350 0.000 0.000 0.190 409 E C 1.802 178.350 176.600 -0.086 0.000 0.985 409 E CA 1.216 57.537 56.400 -0.131 0.000 0.802 409 E CB -0.133 29.575 29.700 0.014 0.000 0.762 409 E HN 0.616 nan 8.360 nan 0.000 0.448 410 E N 0.794 120.955 120.200 -0.065 0.000 2.510 410 E HA -0.081 4.269 4.350 0.000 0.000 0.202 410 E C 1.540 178.031 176.600 -0.182 0.000 1.072 410 E CA 0.632 57.001 56.400 -0.051 0.000 0.883 410 E CB 0.001 29.749 29.700 0.080 0.000 0.818 410 E HN 0.134 nan 8.360 nan 0.000 0.548 411 A N 1.290 123.981 122.820 -0.214 0.000 1.997 411 A HA 0.125 4.445 4.320 0.000 0.000 0.212 411 A C 2.131 179.570 177.584 -0.241 0.000 1.178 411 A CA 0.075 51.954 52.037 -0.263 0.000 0.698 411 A CB -0.033 18.852 19.000 -0.191 0.000 0.842 411 A HN 0.185 nan 8.150 nan 0.000 0.458 412 L N -1.023 120.130 121.223 -0.116 0.000 2.446 412 L HA 0.060 4.400 4.340 0.000 0.000 0.219 412 L C 2.691 179.526 176.870 -0.059 0.000 1.116 412 L CA 0.997 55.840 54.840 0.004 0.000 0.844 412 L CB -0.525 41.612 42.059 0.130 0.000 0.970 412 L HN 0.432 nan 8.230 nan 0.000 0.457 413 A N 0.484 123.216 122.820 -0.145 0.000 1.975 413 A HA 0.094 4.414 4.320 0.000 0.000 0.215 413 A C 2.341 179.751 177.584 -0.290 0.000 1.170 413 A CA 1.152 53.104 52.037 -0.142 0.000 0.656 413 A CB -0.639 18.303 19.000 -0.096 0.000 0.821 413 A HN 0.361 nan 8.150 nan 0.000 0.449 414 G N -1.249 107.160 108.800 -0.651 0.000 2.414 414 G HA2 -0.199 3.761 3.960 0.000 0.000 0.215 414 G HA3 -0.199 3.761 3.960 0.000 0.000 0.215 414 G C 1.229 175.606 174.900 -0.872 0.000 1.188 414 G CA 0.911 45.300 45.100 -1.186 0.000 0.783 414 G HN 0.557 nan 8.290 nan 0.000 0.537 415 Y N 2.304 122.190 120.300 -0.690 0.000 2.584 415 Y HA 0.098 4.648 4.550 0.000 0.000 0.317 415 Y C 2.600 178.463 175.900 -0.062 0.000 1.208 415 Y CA -0.346 57.599 58.100 -0.259 0.000 1.299 415 Y CB -0.132 38.188 38.460 -0.233 0.000 1.047 415 Y HN 0.237 nan 8.280 nan 0.000 0.506 416 G N 1.186 109.982 108.800 -0.008 0.000 2.812 416 G HA2 -0.398 3.562 3.960 0.000 0.000 0.218 416 G HA3 -0.398 3.562 3.960 0.000 0.000 0.218 416 G C 1.629 176.586 174.900 0.095 0.000 1.287 416 G CA 1.596 46.717 45.100 0.035 0.000 0.796 416 G HN 0.379 nan 8.290 nan 0.000 0.649 417 R N -0.787 119.769 120.500 0.093 0.000 2.159 417 R HA -0.264 4.076 4.340 0.000 0.000 0.249 417 R C 2.397 178.796 176.300 0.166 0.000 1.136 417 R CA 2.045 58.214 56.100 0.116 0.000 0.951 417 R CB -1.115 29.258 30.300 0.121 0.000 0.876 417 R HN 0.528 nan 8.270 nan 0.000 0.440 418 Y N 1.581 121.956 120.300 0.125 0.000 2.053 418 Y HA -0.215 4.336 4.550 0.001 0.000 0.277 418 Y C 2.004 177.981 175.900 0.129 0.000 1.159 418 Y CA 1.729 59.927 58.100 0.163 0.000 1.125 418 Y CB -0.415 38.205 38.460 0.267 0.000 0.969 418 Y HN -0.038 nan 8.280 nan 0.000 0.492 419 L N -0.049 121.202 121.223 0.045 0.000 2.191 419 L HA -0.213 4.127 4.340 0.000 0.000 0.212 419 L C 1.880 178.717 176.870 -0.056 0.000 1.103 419 L CA 1.396 56.207 54.840 -0.048 0.000 0.769 419 L CB -0.506 41.609 42.059 0.094 0.000 0.908 419 L HN 0.257 nan 8.230 nan 0.000 0.438 420 D N -0.190 120.201 120.400 -0.013 0.000 2.183 420 D HA -0.059 4.581 4.640 0.000 0.000 0.205 420 D C 2.394 178.677 176.300 -0.028 0.000 0.962 420 D CA 0.846 54.840 54.000 -0.009 0.000 0.849 420 D CB -0.015 40.794 40.800 0.016 0.000 0.978 420 D HN 0.274 nan 8.370 nan 0.000 0.488 421 L N 0.511 121.711 121.223 -0.037 0.000 2.191 421 L HA -0.108 4.232 4.340 0.000 0.000 0.212 421 L C 2.397 179.219 176.870 -0.080 0.000 1.103 421 L CA 0.492 55.310 54.840 -0.037 0.000 0.769 421 L CB -0.254 41.799 42.059 -0.010 0.000 0.908 421 L HN 0.035 nan 8.230 nan 0.000 0.438 422 L N -0.912 120.220 121.223 -0.151 0.000 1.973 422 L HA -0.231 4.109 4.340 0.000 0.000 0.208 422 L C 2.673 179.499 176.870 -0.073 0.000 1.073 422 L CA 1.319 56.070 54.840 -0.148 0.000 0.746 422 L CB -0.600 41.333 42.059 -0.210 0.000 0.891 422 L HN 0.283 nan 8.230 nan 0.000 0.433 423 Q N 0.195 119.961 119.800 -0.056 0.000 1.985 423 Q HA -0.235 4.105 4.340 0.000 0.000 0.207 423 Q C 1.902 177.889 176.000 -0.021 0.000 0.996 423 Q CA 1.958 57.744 55.803 -0.028 0.000 0.851 423 Q CB -0.239 28.489 28.738 -0.016 0.000 0.921 423 Q HN 0.530 nan 8.270 nan 0.000 0.418 424 A N 0.604 123.413 122.820 -0.018 0.000 2.253 424 A HA -0.111 4.209 4.320 0.000 0.000 0.203 424 A C 0.470 178.047 177.584 -0.012 0.000 1.272 424 A CA 0.477 52.508 52.037 -0.010 0.000 0.847 424 A CB -0.429 18.568 19.000 -0.004 0.000 0.772 424 A HN 0.410 nan 8.150 nan 0.000 0.494 425 R N -2.784 117.705 120.500 -0.019 0.000 3.992 425 R HA -0.284 4.057 4.340 0.000 0.000 0.338 425 R C 0.780 177.072 176.300 -0.014 0.000 1.254 425 R CA 1.026 57.115 56.100 -0.018 0.000 1.112 425 R CB -2.633 27.660 30.300 -0.012 0.000 1.531 425 R HN 1.047 nan 8.270 nan 0.000 0.575 426 A N 1.804 124.618 122.820 -0.010 0.000 3.093 426 A HA -0.043 4.277 4.320 0.000 0.000 0.287 426 A C 1.314 178.897 177.584 -0.002 0.000 1.952 426 A CA 0.745 52.781 52.037 -0.001 0.000 1.421 426 A CB -0.557 18.447 19.000 0.006 0.000 0.943 426 A HN 0.377 nan 8.150 nan 0.000 0.599 427 E N 1.634 121.832 120.200 -0.004 0.000 2.505 427 E HA -0.018 4.332 4.350 0.000 0.000 0.197 427 E C -1.166 175.438 176.600 0.007 0.000 1.111 427 E CA -0.453 55.944 56.400 -0.004 0.000 0.887 427 E CB -0.260 29.436 29.700 -0.007 0.000 0.913 427 E HN 0.636 nan 8.360 nan 0.000 0.517 428 P HA -0.015 nan 4.420 nan 0.000 0.231 428 P C -0.161 177.158 177.300 0.033 0.000 1.257 428 P CA 0.560 63.674 63.100 0.023 0.000 0.656 428 P CB 0.325 32.041 31.700 0.026 0.000 0.993 429 D N -1.854 118.574 120.400 0.047 0.000 2.651 429 D HA 0.144 4.785 4.640 0.000 0.000 0.280 429 D C 1.046 177.398 176.300 0.088 0.000 1.496 429 D CA 0.069 54.108 54.000 0.064 0.000 0.792 429 D CB -0.179 40.654 40.800 0.055 0.000 1.144 429 D HN 0.081 nan 8.370 nan 0.000 0.470 430 L N 0.249 121.523 121.223 0.085 0.000 2.492 430 L HA 0.201 4.541 4.340 0.000 0.000 0.223 430 L C 2.114 179.078 176.870 0.155 0.000 1.132 430 L CA 0.367 55.268 54.840 0.102 0.000 0.850 430 L CB 0.016 42.121 42.059 0.077 0.000 0.966 430 L HN -0.007 nan 8.230 nan 0.000 0.454 431 I N -0.334 120.329 120.570 0.155 0.000 2.439 431 I HA -0.240 3.930 4.170 0.000 0.000 0.251 431 I C 2.317 178.656 176.117 0.369 0.000 1.139 431 I CA 0.821 62.268 61.300 0.244 0.000 1.438 431 I CB 0.008 38.085 38.000 0.128 0.000 1.085 431 I HN 0.173 nan 8.210 nan 0.000 0.427 432 I N 0.490 121.197 120.570 0.229 0.000 2.233 432 I HA -0.237 3.933 4.170 0.000 0.000 0.243 432 I C 2.285 178.542 176.117 0.233 0.000 1.093 432 I CA 1.654 63.078 61.300 0.208 0.000 1.380 432 I CB -1.089 36.989 38.000 0.131 0.000 1.067 432 I HN 0.349 nan 8.210 nan 0.000 0.413 433 Q N -0.031 119.882 119.800 0.188 0.000 2.482 433 Q HA 0.063 4.404 4.340 0.000 0.000 0.209 433 Q C 2.015 178.132 176.000 0.194 0.000 0.961 433 Q CA 0.708 56.610 55.803 0.165 0.000 0.945 433 Q CB 0.237 29.045 28.738 0.115 0.000 1.012 433 Q HN 0.478 nan 8.270 nan 0.000 0.515 434 A N -0.120 122.863 122.820 0.271 0.000 1.956 434 A HA -0.060 4.260 4.320 0.000 0.000 0.212 434 A C 1.602 179.386 177.584 0.332 0.000 1.188 434 A CA 0.187 52.409 52.037 0.308 0.000 0.675 434 A CB -0.338 18.900 19.000 0.397 0.000 0.845 434 A HN 0.364 nan 8.150 nan 0.000 0.455 435 F N 1.860 121.888 119.950 0.131 0.000 2.171 435 F HA -0.082 4.445 4.527 0.000 0.000 0.300 435 F C 0.974 176.811 175.800 0.063 0.000 1.090 435 F CA 1.309 59.267 58.000 -0.069 0.000 1.293 435 F CB -0.069 38.798 39.000 -0.222 0.000 1.013 435 F HN 0.194 nan 8.300 nan 0.000 0.486 436 N N 0.852 119.653 118.700 0.170 0.000 2.416 436 N HA -0.018 4.722 4.740 0.000 0.000 0.215 436 N C 0.909 176.526 175.510 0.179 0.000 1.208 436 N CA 0.381 53.554 53.050 0.204 0.000 0.834 436 N CB -0.126 38.498 38.487 0.228 0.000 1.072 436 N HN 0.559 nan 8.380 nan 0.000 0.472 437 E N -1.037 119.216 120.200 0.088 0.000 2.364 437 E HA 0.071 4.421 4.350 0.000 0.000 0.203 437 E C -0.534 176.094 176.600 0.047 0.000 0.888 437 E CA 0.141 56.596 56.400 0.092 0.000 0.989 437 E CB 0.747 30.510 29.700 0.106 0.000 0.985 437 E HN 0.189 nan 8.360 nan 0.000 0.499 438 Y N 0.659 120.761 120.300 -0.330 0.000 2.512 438 Y HA 0.451 5.002 4.550 0.001 0.000 0.348 438 Y C -1.485 173.861 175.900 -0.924 0.000 0.990 438 Y CA -0.822 56.888 58.100 -0.649 0.000 1.033 438 Y CB 1.987 39.822 38.460 -1.042 0.000 1.259 438 Y HN -0.253 nan 8.280 nan 0.000 0.461 439 Q N 3.987 122.900 119.800 -1.479 0.000 2.364 439 Q HA 0.438 4.778 4.340 0.000 0.000 0.257 439 Q C -2.282 173.127 176.000 -0.984 0.000 0.956 439 Q CA -0.334 54.737 55.803 -1.220 0.000 0.924 439 Q CB 1.566 29.249 28.738 -1.757 0.000 1.413 439 Q HN 0.818 nan 8.270 nan 0.000 0.418 440 L N 4.273 125.146 121.223 -0.584 0.000 2.312 440 L HA 0.625 4.966 4.340 0.000 0.000 0.281 440 L C -0.464 176.256 176.870 -0.249 0.000 1.070 440 L CA -0.536 54.089 54.840 -0.359 0.000 0.805 440 L CB 0.747 42.710 42.059 -0.160 0.000 1.174 440 L HN 0.565 nan 8.230 nan 0.000 0.434 441 L N 3.165 124.286 121.223 -0.171 0.000 2.370 441 L HA 0.714 5.054 4.340 0.000 0.000 0.266 441 L C -0.825 176.033 176.870 -0.020 0.000 1.002 441 L CA -0.691 54.099 54.840 -0.082 0.000 0.818 441 L CB 2.162 44.181 42.059 -0.067 0.000 1.325 441 L HN 0.724 nan 8.230 nan 0.000 0.418 442 C N -0.441 118.871 119.300 0.021 0.000 2.880 442 C HA 0.764 5.224 4.460 0.000 0.000 0.320 442 C C 1.178 176.205 174.990 0.063 0.000 1.176 442 C CA -0.454 58.595 59.018 0.052 0.000 1.390 442 C CB 1.002 28.793 27.740 0.085 0.000 1.846 442 C HN 0.998 nan 8.230 nan 0.000 0.478 443 A N 2.092 124.948 122.820 0.060 0.000 1.902 443 A HA 0.142 4.462 4.320 0.000 0.000 0.217 443 A C 0.902 178.527 177.584 0.070 0.000 1.181 443 A CA 1.133 53.206 52.037 0.061 0.000 0.623 443 A CB -0.501 18.525 19.000 0.044 0.000 0.818 443 A HN 0.863 nan 8.150 nan 0.000 0.443 444 L N -1.848 119.426 121.223 0.085 0.000 2.439 444 L HA 0.380 4.720 4.340 0.000 0.000 0.261 444 L C 1.579 178.493 176.870 0.073 0.000 1.153 444 L CA -0.490 54.402 54.840 0.087 0.000 0.808 444 L CB 0.662 42.794 42.059 0.123 0.000 1.126 444 L HN 0.218 nan 8.230 nan 0.000 0.460 445 R N -0.021 120.511 120.500 0.055 0.000 2.128 445 R HA 0.108 4.449 4.340 0.000 0.000 0.211 445 R C 0.311 176.635 176.300 0.040 0.000 1.067 445 R CA 0.580 56.703 56.100 0.038 0.000 1.010 445 R CB 0.455 30.766 30.300 0.017 0.000 0.922 445 R HN 0.693 nan 8.270 nan 0.000 0.457 446 E N -1.285 118.942 120.200 0.044 0.000 2.359 446 E HA 0.515 4.865 4.350 0.000 0.000 0.266 446 E C -1.064 175.560 176.600 0.040 0.000 0.920 446 E CA -0.464 55.955 56.400 0.033 0.000 0.788 446 E CB 1.836 31.550 29.700 0.024 0.000 1.279 446 E HN 0.244 nan 8.360 nan 0.000 0.438 447 G N 1.790 110.593 108.800 0.005 0.000 2.371 447 G HA2 -0.109 3.851 3.960 0.000 0.000 0.663 447 G HA3 -0.109 3.851 3.960 0.000 0.000 0.663 447 G C -2.564 172.254 174.900 -0.137 0.000 1.311 447 G CA -0.511 44.567 45.100 -0.037 0.000 0.985 447 G HN 0.456 nan 8.290 nan 0.000 0.566 448 P HA 0.195 nan 4.420 nan 0.000 0.226 448 P C 0.641 177.537 177.300 -0.674 0.000 1.153 448 P CA 1.054 63.751 63.100 -0.672 0.000 0.777 448 P CB 0.009 31.045 31.700 -1.107 0.000 0.794 449 F N -1.394 118.594 119.950 0.064 0.000 3.036 449 F HA 0.594 5.122 4.527 0.000 0.000 0.274 449 F C 1.546 177.386 175.800 0.067 0.000 1.474 449 F CA -0.441 57.616 58.000 0.095 0.000 0.987 449 F CB -0.691 38.351 39.000 0.071 0.000 1.877 449 F HN -0.205 nan 8.300 nan 0.000 0.421 450 G N 0.349 109.314 108.800 0.276 0.000 2.990 450 G HA2 -0.172 3.788 3.960 0.000 0.000 0.424 450 G HA3 -0.172 3.788 3.960 0.000 0.000 0.424 450 G C 0.380 175.344 174.900 0.106 0.000 1.484 450 G CA -0.214 44.976 45.100 0.150 0.000 0.986 450 G HN 0.526 nan 8.290 nan 0.000 0.557 451 V N 1.581 121.542 119.914 0.080 0.000 2.245 451 V HA 0.021 4.142 4.120 0.000 0.000 0.233 451 V C 3.481 179.609 176.094 0.056 0.000 1.028 451 V CA 3.435 65.777 62.300 0.070 0.000 0.991 451 V CB -1.741 30.119 31.823 0.062 0.000 0.640 451 V HN 2.109 nan 8.190 nan 0.000 0.461 452 A N 0.922 123.764 122.820 0.037 0.000 1.920 452 A HA -0.356 3.964 4.320 0.000 0.000 0.229 452 A C 2.336 179.928 177.584 0.013 0.000 1.516 452 A CA 3.234 55.282 52.037 0.018 0.000 0.714 452 A CB -1.745 17.262 19.000 0.010 0.000 0.845 452 A HN 0.779 nan 8.150 nan 0.000 0.493 453 G N -1.387 107.420 108.800 0.013 0.000 2.408 453 G HA2 -0.072 3.888 3.960 0.000 0.000 0.217 453 G HA3 -0.072 3.888 3.960 0.000 0.000 0.217 453 G C 1.553 176.473 174.900 0.034 0.000 1.150 453 G CA 0.911 46.010 45.100 -0.002 0.000 0.776 453 G HN 0.460 nan 8.290 nan 0.000 0.542 454 L N 0.025 121.288 121.223 0.067 0.000 2.156 454 L HA -0.035 4.306 4.340 0.000 0.000 0.208 454 L C 2.699 179.629 176.870 0.101 0.000 1.095 454 L CA 0.882 55.784 54.840 0.103 0.000 0.770 454 L CB -0.361 41.763 42.059 0.108 0.000 0.914 454 L HN 0.226 nan 8.230 nan 0.000 0.439 455 N N -0.260 118.486 118.700 0.075 0.000 2.058 455 N HA -0.240 4.500 4.740 0.000 0.000 0.191 455 N C 1.732 177.233 175.510 -0.016 0.000 1.037 455 N CA 1.363 54.436 53.050 0.038 0.000 0.848 455 N CB -0.067 38.406 38.487 -0.023 0.000 1.021 455 N HN 0.291 nan 8.380 nan 0.000 0.422 456 E N 1.183 121.375 120.200 -0.013 0.000 2.000 456 E HA -0.205 4.145 4.350 0.000 0.000 0.199 456 E C 1.406 178.028 176.600 0.036 0.000 1.011 456 E CA 0.983 57.374 56.400 -0.015 0.000 0.836 456 E CB 0.027 29.721 29.700 -0.011 0.000 0.778 456 E HN 0.142 nan 8.360 nan 0.000 0.462 457 R N 0.114 120.657 120.500 0.073 0.000 2.407 457 R HA -0.145 4.195 4.340 0.000 0.000 0.241 457 R C 2.037 178.421 176.300 0.141 0.000 1.180 457 R CA 0.900 57.081 56.100 0.136 0.000 1.048 457 R CB -0.436 29.995 30.300 0.218 0.000 0.847 457 R HN 0.480 nan 8.270 nan 0.000 0.488 458 I N -1.126 119.515 120.570 0.118 0.000 3.565 458 I HA -0.068 4.102 4.170 0.000 0.000 0.287 458 I C 1.742 177.968 176.117 0.182 0.000 1.193 458 I CA 0.031 61.428 61.300 0.162 0.000 1.402 458 I CB -0.014 38.131 38.000 0.242 0.000 1.284 458 I HN 0.027 nan 8.210 nan 0.000 0.454 459 E N 1.043 121.266 120.200 0.040 0.000 2.097 459 E HA -0.351 4.000 4.350 0.000 0.000 0.196 459 E C 1.984 178.610 176.600 0.042 0.000 1.000 459 E CA 1.594 57.959 56.400 -0.058 0.000 0.804 459 E CB -0.145 29.444 29.700 -0.184 0.000 0.740 459 E HN 0.435 nan 8.360 nan 0.000 0.454 460 Q N -0.030 119.815 119.800 0.075 0.000 2.096 460 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 460 Q C 1.865 177.952 176.000 0.146 0.000 0.982 460 Q CA 1.369 57.228 55.803 0.093 0.000 0.850 460 Q CB -0.150 28.653 28.738 0.107 0.000 0.901 460 Q HN 0.239 nan 8.270 nan 0.000 0.422 461 F N -0.085 119.890 119.950 0.041 0.000 2.365 461 F HA -0.022 4.506 4.527 0.001 0.000 0.300 461 F C 1.561 177.391 175.800 0.051 0.000 1.090 461 F CA 1.006 59.034 58.000 0.045 0.000 1.408 461 F CB 0.241 39.270 39.000 0.050 0.000 1.060 461 F HN 0.096 nan 8.300 nan 0.000 0.534 462 M N -0.880 118.848 119.600 0.212 0.000 2.475 462 M HA 0.069 4.550 4.480 0.000 0.000 0.261 462 M C 0.877 177.214 176.300 0.062 0.000 1.177 462 M CA 0.373 55.763 55.300 0.150 0.000 0.979 462 M CB 0.241 32.980 32.600 0.231 0.000 1.482 462 M HN 0.152 nan 8.290 nan 0.000 0.484 463 Q N -0.823 118.989 119.800 0.020 0.000 2.471 463 Q HA 0.103 4.443 4.340 0.000 0.000 0.259 463 Q C 0.898 176.881 176.000 -0.029 0.000 0.850 463 Q CA 0.161 55.959 55.803 -0.009 0.000 0.981 463 Q CB 0.448 29.174 28.738 -0.019 0.000 1.180 463 Q HN 0.455 nan 8.270 nan 0.000 0.571 464 Q N 0.551 120.320 119.800 -0.051 0.000 2.265 464 Q HA 0.128 4.468 4.340 0.000 0.000 0.217 464 Q C 0.329 176.247 176.000 -0.136 0.000 0.916 464 Q CA 0.455 56.199 55.803 -0.097 0.000 0.948 464 Q CB 0.348 29.008 28.738 -0.130 0.000 1.020 464 Q HN 0.168 nan 8.270 nan 0.000 0.462 465 K N -1.362 118.988 120.400 -0.082 0.000 3.148 465 K HA 0.162 4.482 4.320 0.000 0.000 0.219 465 K C -0.177 176.413 176.600 -0.016 0.000 2.206 465 K CA -0.349 55.898 56.287 -0.066 0.000 1.506 465 K CB 1.032 33.482 32.500 -0.083 0.000 2.496 465 K HN -0.043 nan 8.250 nan 0.000 0.570 524 P HA 0.209 nan 4.420 nan 0.000 0.206 524 P C -0.230 177.091 177.300 0.036 0.000 1.209 524 P CA 0.608 63.728 63.100 0.033 0.000 0.923 524 P CB 0.265 31.988 31.700 0.039 0.000 0.761 525 S N -3.419 112.306 115.700 0.043 0.000 2.724 525 S HA 0.424 4.894 4.470 0.000 0.000 0.278 525 S C -1.183 173.453 174.600 0.060 0.000 1.190 525 S CA -0.365 57.864 58.200 0.049 0.000 0.860 525 S CB 0.733 63.963 63.200 0.050 0.000 1.206 525 S HN 0.297 nan 8.310 nan 0.000 0.507 526 R N 0.847 121.389 120.500 0.071 0.000 2.727 526 R HA -0.169 4.171 4.340 0.000 0.000 0.224 526 R C -1.336 175.019 176.300 0.092 0.000 0.789 526 R CA 0.620 56.774 56.100 0.089 0.000 0.532 526 R CB -2.276 28.083 30.300 0.097 0.000 1.130 526 R HN 0.392 nan 8.270 nan 0.000 0.511 527 L N 2.391 123.665 121.223 0.085 0.000 2.322 527 L HA 0.589 4.929 4.340 0.000 0.000 0.281 527 L C -1.218 175.713 176.870 0.101 0.000 1.014 527 L CA -2.143 52.749 54.840 0.086 0.000 0.815 527 L CB 1.558 43.655 42.059 0.063 0.000 1.247 527 L HN 0.262 nan 8.230 nan 0.000 0.421 528 P HA 0.228 nan 4.420 nan 0.000 0.275 528 P C -0.906 176.433 177.300 0.064 0.000 1.270 528 P CA -0.182 63.008 63.100 0.150 0.000 0.791 528 P CB 0.760 32.621 31.700 0.268 0.000 1.089 529 E N -0.337 119.872 120.200 0.016 0.000 7.436 529 E HA -0.057 4.293 4.350 0.000 0.000 0.198 529 E C -0.924 175.646 176.600 -0.051 0.000 0.899 529 E CA -0.227 56.092 56.400 -0.136 0.000 1.673 529 E CB -1.506 28.121 29.700 -0.121 0.000 0.892 529 E HN 0.608 nan 8.360 nan 0.000 0.276 530 H N 1.261 120.286 119.070 -0.074 0.000 1.513 530 H HA -0.172 4.384 4.556 0.000 0.000 0.319 530 H C 1.040 176.360 175.328 -0.013 0.000 0.750 530 H CA 1.382 57.407 56.048 -0.037 0.000 1.080 530 H CB -0.513 29.183 29.762 -0.110 0.000 1.444 530 H HN 0.373 nan 8.280 nan 0.000 0.233 531 E N 1.335 121.620 120.200 0.141 0.000 2.335 531 E HA 0.034 4.385 4.350 0.000 0.000 0.191 531 E C -0.085 176.559 176.600 0.074 0.000 1.077 531 E CA 0.134 56.586 56.400 0.086 0.000 1.010 531 E CB -0.226 29.525 29.700 0.085 0.000 1.141 531 E HN 0.554 nan 8.360 nan 0.000 0.452 532 T N -1.298 113.301 114.554 0.075 0.000 4.141 532 T HA -0.230 4.121 4.350 0.000 0.000 0.352 532 T C 0.812 175.566 174.700 0.089 0.000 0.756 532 T CA 0.973 63.069 62.100 -0.007 0.000 1.958 532 T CB -2.743 66.091 68.868 -0.055 0.000 1.848 532 T HN 0.492 nan 8.240 nan 0.000 0.872 533 T N -2.121 112.559 114.554 0.211 0.000 2.793 533 T HA 0.002 4.353 4.350 0.000 0.000 0.228 533 T C 1.360 176.318 174.700 0.431 0.000 1.086 533 T CA 1.227 63.499 62.100 0.287 0.000 1.743 533 T CB -0.287 68.794 68.868 0.355 0.000 1.187 533 T HN 0.684 nan 8.240 nan 0.000 0.404 534 W N 1.922 123.362 121.300 0.234 0.000 0.884 534 W HA -0.344 4.315 4.660 -0.000 0.000 0.219 534 W C 0.256 176.818 176.519 0.070 0.000 0.924 534 W CA 1.038 58.452 57.345 0.114 0.000 0.352 534 W CB -1.474 27.959 29.460 -0.045 0.000 1.918 534 W HN 0.871 nan 8.180 nan 0.000 1.397 535 A N 0.383 123.353 122.820 0.250 0.000 2.475 535 A HA 0.828 5.148 4.320 0.000 0.000 0.301 535 A C -0.625 177.008 177.584 0.081 0.000 1.059 535 A CA -0.477 51.619 52.037 0.098 0.000 0.710 535 A CB 1.762 20.830 19.000 0.113 0.000 1.288 535 A HN 0.072 nan 8.150 nan 0.000 0.408 536 M N 0.889 120.502 119.600 0.023 0.000 2.631 536 M HA 0.446 4.926 4.480 0.000 0.000 0.288 536 M C -0.015 176.316 176.300 0.051 0.000 1.260 536 M CA -0.671 54.658 55.300 0.048 0.000 0.842 536 M CB 2.662 35.285 32.600 0.039 0.000 1.743 536 M HN 0.841 nan 8.290 nan 0.000 0.461 537 T N -1.096 113.506 114.554 0.079 0.000 2.869 537 T HA 0.277 4.628 4.350 0.000 0.000 0.295 537 T C 1.044 175.811 174.700 0.112 0.000 0.987 537 T CA -0.882 61.272 62.100 0.091 0.000 1.109 537 T CB 0.849 69.773 68.868 0.094 0.000 0.932 537 T HN 0.415 nan 8.240 nan 0.000 0.518 538 V N 2.131 122.101 119.914 0.094 0.000 2.527 538 V HA -0.258 3.863 4.120 0.000 0.000 0.255 538 V C 2.594 178.753 176.094 0.108 0.000 1.081 538 V CA 2.239 64.589 62.300 0.083 0.000 1.092 538 V CB -1.361 30.501 31.823 0.065 0.000 0.673 538 V HN 1.033 nan 8.190 nan 0.000 0.470 539 H N 1.585 120.678 119.070 0.038 0.000 2.293 539 H HA -0.152 4.404 4.556 0.000 0.000 0.300 539 H C 2.232 177.585 175.328 0.041 0.000 1.082 539 H CA 2.212 58.281 56.048 0.035 0.000 1.308 539 H CB -0.016 29.762 29.762 0.027 0.000 1.375 539 H HN 0.432 nan 8.280 nan 0.000 0.495 540 K N 0.504 121.128 120.400 0.374 0.000 2.362 540 K HA -0.054 4.266 4.320 0.000 0.000 0.200 540 K C 2.287 178.976 176.600 0.149 0.000 1.046 540 K CA 1.044 57.499 56.287 0.281 0.000 0.952 540 K CB 0.062 32.691 32.500 0.214 0.000 0.753 540 K HN 0.301 nan 8.250 nan 0.000 0.466 541 S N 0.482 116.263 115.700 0.134 0.000 2.515 541 S HA -0.096 4.374 4.470 0.000 0.000 0.231 541 S C 0.810 175.447 174.600 0.061 0.000 0.987 541 S CA -0.065 58.231 58.200 0.160 0.000 0.936 541 S CB -0.117 63.219 63.200 0.228 0.000 0.766 541 S HN 0.184 nan 8.310 nan 0.000 0.528 542 Q N 1.219 121.017 119.800 -0.003 0.000 2.308 542 Q HA 0.378 4.718 4.340 0.000 0.000 0.313 542 Q C 1.070 177.045 176.000 -0.041 0.000 1.075 542 Q CA 1.449 57.221 55.803 -0.052 0.000 0.995 542 Q CB -0.131 28.536 28.738 -0.119 0.000 1.107 542 Q HN 0.690 nan 8.270 nan 0.000 0.380 543 G N 2.188 110.952 108.800 -0.060 0.000 2.171 543 G HA2 -0.212 3.748 3.960 0.000 0.000 0.238 543 G HA3 -0.212 3.748 3.960 0.000 0.000 0.238 543 G C -0.287 174.558 174.900 -0.091 0.000 1.039 543 G CA 0.108 45.172 45.100 -0.062 0.000 0.759 543 G HN 0.581 nan 8.290 nan 0.000 0.501 544 S N -1.111 114.494 115.700 -0.159 0.000 2.685 544 S HA 0.845 5.315 4.470 0.000 0.000 0.282 544 S C -0.570 173.683 174.600 -0.578 0.000 1.159 544 S CA -0.813 57.207 58.200 -0.299 0.000 0.833 544 S CB 2.625 65.696 63.200 -0.215 0.000 1.151 544 S HN 0.457 nan 8.310 nan 0.000 0.485 545 E N -0.326 119.315 120.200 -0.931 0.000 2.407 545 E HA 0.602 4.952 4.350 0.000 0.000 0.279 545 E C -1.882 173.963 176.600 -1.257 0.000 1.012 545 E CA -0.565 55.226 56.400 -1.015 0.000 0.800 545 E CB 1.712 31.146 29.700 -0.443 0.000 1.276 545 E HN 0.419 nan 8.360 nan 0.000 0.452 546 F N -0.115 119.777 119.950 -0.097 0.000 2.626 546 F HA 0.337 4.864 4.527 0.001 0.000 0.311 546 F C 0.680 176.429 175.800 -0.086 0.000 1.088 546 F CA -0.892 57.044 58.000 -0.107 0.000 0.949 546 F CB 0.835 39.727 39.000 -0.181 0.000 1.322 546 F HN 0.290 nan 8.300 nan 0.000 0.461 547 D N -1.276 119.191 120.400 0.112 0.000 2.084 547 D HA -0.108 4.532 4.640 0.000 0.000 0.199 547 D C 0.414 176.760 176.300 0.076 0.000 0.981 547 D CA 1.767 55.803 54.000 0.061 0.000 0.841 547 D CB -0.217 40.623 40.800 0.067 0.000 0.997 547 D HN 0.307 nan 8.370 nan 0.000 0.454 548 H N 0.313 119.387 119.070 0.007 0.000 2.594 548 H HA 0.615 5.171 4.556 0.000 0.000 0.304 548 H C -1.180 173.991 175.328 -0.262 0.000 1.068 548 H CA -0.906 55.126 56.048 -0.028 0.000 1.308 548 H CB 0.519 30.375 29.762 0.156 0.000 1.409 548 H HN -0.042 nan 8.280 nan 0.000 0.460 549 A N 3.991 126.877 122.820 0.111 0.000 2.331 549 A HA 0.746 5.066 4.320 0.000 0.000 0.320 549 A C -0.803 176.720 177.584 -0.102 0.000 1.138 549 A CA -0.252 51.698 52.037 -0.145 0.000 0.790 549 A CB 0.800 19.804 19.000 0.006 0.000 1.206 549 A HN 0.792 nan 8.150 nan 0.000 0.470 550 A N 1.896 124.516 122.820 -0.333 0.000 2.342 550 A HA 0.709 5.030 4.320 0.000 0.000 0.323 550 A C -0.919 176.624 177.584 -0.068 0.000 1.125 550 A CA -0.464 51.526 52.037 -0.078 0.000 0.785 550 A CB 0.938 19.878 19.000 -0.100 0.000 1.221 550 A HN 1.605 nan 8.150 nan 0.000 0.463 551 L N 2.469 123.734 121.223 0.070 0.000 2.334 551 L HA 0.827 5.168 4.340 0.000 0.000 0.276 551 L C -1.287 175.643 176.870 0.100 0.000 1.014 551 L CA -0.539 54.326 54.840 0.042 0.000 0.815 551 L CB 1.255 43.334 42.059 0.033 0.000 1.268 551 L HN 0.524 nan 8.230 nan 0.000 0.428 552 I N 5.538 126.136 120.570 0.048 0.000 2.439 552 I HA 0.393 4.563 4.170 0.000 0.000 0.283 552 I C -0.566 175.571 176.117 0.032 0.000 1.023 552 I CA -0.062 61.277 61.300 0.065 0.000 1.100 552 I CB 1.513 39.546 38.000 0.055 0.000 1.238 552 I HN 0.482 nan 8.210 nan 0.000 0.445 553 L N 7.706 128.922 121.223 -0.013 0.000 2.379 553 L HA 0.539 4.880 4.340 0.000 0.000 0.269 553 L C -1.829 174.854 176.870 -0.312 0.000 1.084 553 L CA -1.790 52.992 54.840 -0.096 0.000 0.802 553 L CB 0.672 42.684 42.059 -0.077 0.000 1.175 553 L HN 0.313 nan 8.230 nan 0.000 0.448 554 P HA -0.069 nan 4.420 nan 0.000 0.272 554 P C 0.455 177.176 177.300 -0.964 0.000 1.248 554 P CA -0.086 62.461 63.100 -0.921 0.000 0.799 554 P CB 0.640 32.133 31.700 -0.345 0.000 0.997 555 S N -0.146 114.829 115.700 -1.208 0.000 2.368 555 S HA -0.119 4.351 4.470 0.000 0.000 0.224 555 S C 0.427 174.924 174.600 -0.172 0.000 1.029 555 S CA 1.121 59.072 58.200 -0.416 0.000 0.988 555 S CB -0.279 62.969 63.200 0.079 0.000 0.838 555 S HN 0.565 nan 8.310 nan 0.000 0.462 556 Q N -0.280 119.446 119.800 -0.123 0.000 2.743 556 Q HA 0.419 4.759 4.340 0.000 0.000 0.219 556 Q C -0.749 175.232 176.000 -0.032 0.000 0.779 556 Q CA -0.344 55.424 55.803 -0.057 0.000 1.089 556 Q CB 1.493 30.221 28.738 -0.016 0.000 1.603 556 Q HN 0.322 nan 8.270 nan 0.000 0.511 557 R N -0.783 119.694 120.500 -0.038 0.000 4.942 557 R HA 0.023 4.363 4.340 0.000 0.000 0.221 557 R C -1.010 175.281 176.300 -0.016 0.000 0.894 557 R CA 0.214 56.304 56.100 -0.017 0.000 0.570 557 R CB -0.678 29.624 30.300 0.003 0.000 2.103 557 R HN 0.795 nan 8.270 nan 0.000 0.353 558 T N 1.281 115.833 114.554 -0.003 0.000 2.239 558 T HA -0.140 4.210 4.350 0.000 0.000 0.294 558 T C -1.299 173.406 174.700 0.008 0.000 0.984 558 T CA 0.555 62.659 62.100 0.007 0.000 1.660 558 T CB -0.048 68.832 68.868 0.020 0.000 1.118 558 T HN 0.461 nan 8.240 nan 0.000 0.387 559 P HA 0.170 nan 4.420 nan 0.000 0.251 559 P C 1.452 178.774 177.300 0.037 0.000 1.223 559 P CA -0.053 63.064 63.100 0.028 0.000 0.796 559 P CB 0.121 31.847 31.700 0.043 0.000 1.068 560 V N 0.204 120.143 119.914 0.040 0.000 2.548 560 V HA -0.074 4.046 4.120 0.000 0.000 0.249 560 V C 1.440 177.557 176.094 0.038 0.000 1.055 560 V CA 1.073 63.401 62.300 0.047 0.000 1.065 560 V CB -0.390 31.464 31.823 0.051 0.000 0.681 560 V HN -0.096 nan 8.190 nan 0.000 0.462 561 V N 2.676 122.605 119.914 0.024 0.000 2.352 561 V HA 0.246 4.366 4.120 0.000 0.000 0.253 561 V C 0.628 176.731 176.094 0.014 0.000 1.083 561 V CA 0.275 62.585 62.300 0.016 0.000 0.993 561 V CB -0.052 31.769 31.823 -0.003 0.000 1.111 561 V HN 0.652 nan 8.190 nan 0.000 0.490 562 T N 1.858 116.425 114.554 0.021 0.000 2.870 562 T HA 0.399 4.749 4.350 0.000 0.000 0.277 562 T C 1.129 175.839 174.700 0.016 0.000 1.000 562 T CA -0.617 61.492 62.100 0.015 0.000 0.982 562 T CB 1.662 70.540 68.868 0.017 0.000 1.249 562 T HN 0.381 nan 8.240 nan 0.000 0.589 563 R N 0.182 120.686 120.500 0.006 0.000 2.066 563 R HA -0.098 4.242 4.340 0.000 0.000 0.232 563 R C 2.022 178.344 176.300 0.037 0.000 1.131 563 R CA 1.791 57.896 56.100 0.008 0.000 0.955 563 R CB -0.476 29.810 30.300 -0.023 0.000 0.851 563 R HN 0.759 nan 8.270 nan 0.000 0.432 564 E N 1.002 121.213 120.200 0.019 0.000 2.077 564 E HA -0.196 4.154 4.350 0.000 0.000 0.193 564 E C 1.865 178.528 176.600 0.106 0.000 0.989 564 E CA 1.257 57.686 56.400 0.050 0.000 0.800 564 E CB -0.252 29.455 29.700 0.010 0.000 0.746 564 E HN 0.325 nan 8.360 nan 0.000 0.452 565 L N 0.143 121.407 121.223 0.067 0.000 1.955 565 L HA -0.239 4.101 4.340 0.000 0.000 0.213 565 L C 2.091 179.001 176.870 0.066 0.000 1.072 565 L CA 1.406 56.284 54.840 0.063 0.000 0.755 565 L CB -0.340 41.749 42.059 0.050 0.000 0.888 565 L HN 0.058 nan 8.230 nan 0.000 0.432 566 V N -0.603 119.347 119.914 0.061 0.000 2.324 566 V HA -0.370 3.751 4.120 0.000 0.000 0.250 566 V C 2.219 178.353 176.094 0.067 0.000 1.060 566 V CA 2.311 64.641 62.300 0.049 0.000 1.042 566 V CB -1.054 30.792 31.823 0.039 0.000 0.650 566 V HN 0.639 nan 8.190 nan 0.000 0.450 567 Y N 2.246 122.530 120.300 -0.027 0.000 2.097 567 Y HA -0.340 4.211 4.550 0.001 0.000 0.282 567 Y C 2.909 178.790 175.900 -0.033 0.000 1.152 567 Y CA 2.569 60.648 58.100 -0.035 0.000 1.136 567 Y CB -0.789 37.647 38.460 -0.040 0.000 0.975 567 Y HN 0.425 nan 8.280 nan 0.000 0.498 568 T N -1.435 113.134 114.554 0.024 0.000 2.977 568 T HA -0.088 4.262 4.350 0.000 0.000 0.271 568 T C 1.885 176.517 174.700 -0.113 0.000 1.105 568 T CA 0.992 63.037 62.100 -0.090 0.000 1.116 568 T CB -0.810 68.073 68.868 0.026 0.000 0.878 568 T HN 0.432 nan 8.240 nan 0.000 0.509 569 A N 1.247 124.026 122.820 -0.070 0.000 1.840 569 A HA 0.174 4.495 4.320 0.000 0.000 0.214 569 A C 2.611 180.145 177.584 -0.083 0.000 1.198 569 A CA 1.263 53.275 52.037 -0.042 0.000 0.608 569 A CB -1.052 17.939 19.000 -0.014 0.000 0.839 569 A HN 0.374 nan 8.150 nan 0.000 0.443 570 V N 1.154 120.993 119.914 -0.126 0.000 2.324 570 V HA -0.251 3.869 4.120 0.000 0.000 0.250 570 V C 2.663 178.633 176.094 -0.206 0.000 1.060 570 V CA 2.405 64.614 62.300 -0.151 0.000 1.042 570 V CB -1.447 30.277 31.823 -0.164 0.000 0.650 570 V HN 0.800 nan 8.190 nan 0.000 0.450 571 T N -1.961 112.398 114.554 -0.325 0.000 3.308 571 T HA -0.037 4.313 4.350 0.000 0.000 0.255 571 T C 1.569 176.141 174.700 -0.213 0.000 1.162 571 T CA 0.364 62.267 62.100 -0.328 0.000 1.031 571 T CB -0.246 68.314 68.868 -0.515 0.000 0.973 571 T HN 0.291 nan 8.240 nan 0.000 0.544 572 R N 0.975 121.388 120.500 -0.146 0.000 2.237 572 R HA 0.459 4.799 4.340 0.000 0.000 0.195 572 R C 1.018 177.258 176.300 -0.100 0.000 0.956 572 R CA 0.202 56.234 56.100 -0.113 0.000 1.029 572 R CB -0.351 29.980 30.300 0.051 0.000 0.972 572 R HN 0.517 nan 8.270 nan 0.000 0.493 573 A N 1.245 124.023 122.820 -0.071 0.000 2.328 573 A HA 0.377 4.697 4.320 0.000 0.000 0.284 573 A C 0.619 178.145 177.584 -0.097 0.000 1.160 573 A CA -0.375 51.629 52.037 -0.055 0.000 0.818 573 A CB 0.586 19.553 19.000 -0.055 0.000 1.087 573 A HN 0.151 nan 8.150 nan 0.000 0.504 574 R N 0.812 121.262 120.500 -0.083 0.000 2.308 574 R HA 0.175 4.516 4.340 0.000 0.000 0.202 574 R C 1.014 177.263 176.300 -0.084 0.000 0.898 574 R CA 0.556 56.602 56.100 -0.089 0.000 1.046 574 R CB 0.409 30.661 30.300 -0.079 0.000 1.026 574 R HN 0.809 nan 8.270 nan 0.000 0.512 575 R N -0.462 119.985 120.500 -0.087 0.000 2.890 575 R HA 0.314 4.654 4.340 0.000 0.000 0.101 575 R C -0.101 176.107 176.300 -0.153 0.000 1.054 575 R CA -0.780 55.260 56.100 -0.101 0.000 0.858 575 R CB 0.206 30.463 30.300 -0.072 0.000 0.757 575 R HN -0.146 nan 8.270 nan 0.000 0.370 576 R N 1.354 121.717 120.500 -0.228 0.000 2.594 576 R HA 0.299 4.639 4.340 0.000 0.000 0.272 576 R C -0.934 175.126 176.300 -0.399 0.000 1.074 576 R CA -0.088 55.756 56.100 -0.427 0.000 1.105 576 R CB 0.615 30.407 30.300 -0.845 0.000 1.008 576 R HN 0.187 nan 8.270 nan 0.000 0.472 577 L N 0.445 121.491 121.223 -0.295 0.000 2.611 577 L HA 0.346 4.686 4.340 0.000 0.000 0.263 577 L C -1.313 175.547 176.870 -0.016 0.000 0.969 577 L CA 0.011 54.792 54.840 -0.099 0.000 0.894 577 L CB 2.136 44.139 42.059 -0.094 0.000 1.229 577 L HN 0.422 nan 8.230 nan 0.000 0.416 578 S N 4.884 120.672 115.700 0.146 0.000 2.578 578 S HA 0.722 5.192 4.470 0.000 0.000 0.283 578 S C -0.582 174.048 174.600 0.050 0.000 1.195 578 S CA -0.540 57.709 58.200 0.081 0.000 1.050 578 S CB 1.511 64.839 63.200 0.213 0.000 1.012 578 S HN 0.712 nan 8.310 nan 0.000 0.511 579 L N 3.473 124.643 121.223 -0.088 0.000 2.492 579 L HA 0.383 4.723 4.340 0.000 0.000 0.258 579 L C -1.683 175.155 176.870 -0.053 0.000 1.028 579 L CA -0.643 54.195 54.840 -0.004 0.000 0.900 579 L CB 0.300 42.343 42.059 -0.027 0.000 1.191 579 L HN 0.708 nan 8.230 nan 0.000 0.459 580 Y N 3.339 123.637 120.300 -0.004 0.000 2.573 580 Y HA 0.495 5.045 4.550 0.000 0.000 0.346 580 Y C 0.722 176.617 175.900 -0.008 0.000 1.198 580 Y CA -0.073 58.028 58.100 0.003 0.000 1.627 580 Y CB 0.042 38.506 38.460 0.007 0.000 1.457 580 Y HN 0.551 nan 8.280 nan 0.000 0.483 581 A N 1.595 124.456 122.820 0.069 0.000 2.533 581 A HA 0.741 5.062 4.320 0.000 0.000 0.293 581 A C -1.355 176.233 177.584 0.007 0.000 1.228 581 A CA -1.064 50.987 52.037 0.023 0.000 0.689 581 A CB 1.488 20.488 19.000 -0.001 0.000 1.303 581 A HN 0.400 nan 8.150 nan 0.000 0.444 582 D N 0.388 120.783 120.400 -0.009 0.000 2.362 582 D HA 0.297 4.937 4.640 0.000 0.000 0.247 582 D C -0.581 175.712 176.300 -0.011 0.000 1.050 582 D CA -0.346 53.652 54.000 -0.004 0.000 0.839 582 D CB 1.659 42.456 40.800 -0.005 0.000 1.283 582 D HN 0.612 nan 8.370 nan 0.000 0.477 583 E N 0.442 120.639 120.200 -0.006 0.000 2.413 583 E HA -0.126 4.224 4.350 0.000 0.000 0.204 583 E C 1.166 177.760 176.600 -0.010 0.000 1.275 583 E CA 0.407 56.800 56.400 -0.012 0.000 1.090 583 E CB 0.259 29.957 29.700 -0.003 0.000 1.145 583 E HN 0.328 nan 8.360 nan 0.000 0.472 584 R N -0.185 120.308 120.500 -0.012 0.000 2.493 584 R HA 0.026 4.367 4.340 0.000 0.000 0.177 584 R C 1.745 178.033 176.300 -0.020 0.000 0.861 584 R CA -0.035 56.058 56.100 -0.012 0.000 1.083 584 R CB 0.308 30.603 30.300 -0.008 0.000 1.328 584 R HN 0.036 nan 8.270 nan 0.000 0.615 585 I N 2.319 122.872 120.570 -0.028 0.000 2.133 585 I HA -0.240 3.930 4.170 0.000 0.000 0.238 585 I C 2.531 178.630 176.117 -0.031 0.000 1.074 585 I CA 1.188 62.466 61.300 -0.038 0.000 1.342 585 I CB -1.446 36.518 38.000 -0.060 0.000 1.053 585 I HN 0.325 nan 8.210 nan 0.000 0.404 586 L N 0.520 121.726 121.223 -0.029 0.000 1.990 586 L HA -0.261 4.079 4.340 0.000 0.000 0.213 586 L C 2.665 179.521 176.870 -0.024 0.000 1.072 586 L CA 1.916 56.741 54.840 -0.025 0.000 0.755 586 L CB -0.160 41.882 42.059 -0.029 0.000 0.889 586 L HN 0.212 nan 8.230 nan 0.000 0.432 587 S N -0.124 115.560 115.700 -0.026 0.000 2.402 587 S HA -0.085 4.385 4.470 0.000 0.000 0.229 587 S C 2.006 176.595 174.600 -0.020 0.000 1.021 587 S CA 0.993 59.178 58.200 -0.024 0.000 0.974 587 S CB -0.235 62.951 63.200 -0.024 0.000 0.800 587 S HN 0.654 nan 8.310 nan 0.000 0.484 588 A N 1.570 124.379 122.820 -0.019 0.000 1.930 588 A HA 0.169 4.489 4.320 0.000 0.000 0.217 588 A C 2.278 179.852 177.584 -0.015 0.000 1.175 588 A CA 1.557 53.584 52.037 -0.017 0.000 0.627 588 A CB -0.966 18.023 19.000 -0.018 0.000 0.815 588 A HN 0.494 nan 8.150 nan 0.000 0.443 589 A N 0.210 123.021 122.820 -0.015 0.000 1.828 589 A HA -0.077 4.243 4.320 0.000 0.000 0.215 589 A C 2.003 179.581 177.584 -0.010 0.000 1.203 589 A CA 1.417 53.447 52.037 -0.010 0.000 0.614 589 A CB -0.800 18.196 19.000 -0.008 0.000 0.844 589 A HN 0.374 nan 8.150 nan 0.000 0.445 590 I N -0.179 120.384 120.570 -0.012 0.000 2.231 590 I HA -0.393 3.777 4.170 0.000 0.000 0.251 590 I C 2.504 178.609 176.117 -0.020 0.000 1.076 590 I CA 2.104 63.395 61.300 -0.014 0.000 1.347 590 I CB -0.799 37.190 38.000 -0.018 0.000 1.038 590 I HN 0.424 nan 8.210 nan 0.000 0.429 591 A N -0.643 122.165 122.820 -0.019 0.000 2.095 591 A HA 0.021 4.341 4.320 0.000 0.000 0.212 591 A C 1.283 178.854 177.584 -0.020 0.000 1.162 591 A CA 0.766 52.790 52.037 -0.021 0.000 0.753 591 A CB -0.485 18.504 19.000 -0.019 0.000 0.840 591 A HN 0.536 nan 8.150 nan 0.000 0.468 592 T N -2.328 112.217 114.554 -0.016 0.000 2.902 592 T HA 0.625 4.975 4.350 0.000 0.000 0.280 592 T C -0.221 174.469 174.700 -0.017 0.000 0.992 592 T CA -0.703 61.389 62.100 -0.014 0.000 1.015 592 T CB 1.455 70.319 68.868 -0.007 0.000 1.044 592 T HN 0.233 nan 8.240 nan 0.000 0.520 593 R N 1.481 121.971 120.500 -0.018 0.000 2.810 593 R HA 0.287 4.627 4.340 0.000 0.000 0.280 593 R C -0.612 175.677 176.300 -0.018 0.000 1.517 593 R CA -0.352 55.733 56.100 -0.025 0.000 1.063 593 R CB 0.607 30.882 30.300 -0.041 0.000 1.275 593 R HN 1.117 nan 8.270 nan 0.000 0.464 594 T N 1.240 115.792 114.554 -0.004 0.000 2.155 594 T HA -0.224 4.126 4.350 0.000 0.000 0.227 594 T C 0.227 174.926 174.700 -0.002 0.000 1.026 594 T CA 0.658 62.762 62.100 0.008 0.000 1.465 594 T CB -0.223 68.655 68.868 0.016 0.000 1.016 594 T HN 0.551 nan 8.240 nan 0.000 0.405 595 E N 2.585 122.786 120.200 0.003 0.000 2.436 595 E HA 0.161 4.512 4.350 0.000 0.000 0.262 595 E C 0.369 176.955 176.600 -0.024 0.000 1.063 595 E CA -0.304 56.085 56.400 -0.019 0.000 0.944 595 E CB 0.553 30.234 29.700 -0.031 0.000 0.950 595 E HN 0.546 nan 8.360 nan 0.000 0.444 596 R N 1.672 122.146 120.500 -0.043 0.000 2.412 596 R HA 0.139 4.479 4.340 0.000 0.000 0.304 596 R C -0.523 175.741 176.300 -0.060 0.000 1.066 596 R CA -0.779 55.297 56.100 -0.040 0.000 0.923 596 R CB 0.821 31.098 30.300 -0.038 0.000 1.156 596 R HN 0.534 nan 8.270 nan 0.000 0.513 597 R N 1.742 122.193 120.500 -0.082 0.000 2.896 597 R HA 0.512 4.853 4.340 0.000 0.000 0.283 597 R C -0.135 176.134 176.300 -0.052 0.000 1.201 597 R CA -0.059 55.971 56.100 -0.116 0.000 1.178 597 R CB 0.227 30.416 30.300 -0.185 0.000 1.152 597 R HN 0.605 nan 8.270 nan 0.000 0.590 598 S N -3.842 111.830 115.700 -0.046 0.000 3.904 598 S HA 0.120 4.590 4.470 0.000 0.000 0.673 598 S C 0.111 174.757 174.600 0.077 0.000 0.761 598 S CA -0.279 57.939 58.200 0.030 0.000 1.026 598 S CB -1.258 61.964 63.200 0.036 0.000 0.598 598 S HN 1.426 nan 8.310 nan 0.000 0.510 599 G N 0.153 109.037 108.800 0.141 0.000 2.801 599 G HA2 0.362 4.322 3.960 0.000 0.000 0.213 599 G HA3 0.362 4.322 3.960 0.000 0.000 0.213 599 G C 1.212 176.128 174.900 0.028 0.000 1.052 599 G CA 0.474 45.655 45.100 0.135 0.000 0.868 599 G HN 0.811 nan 8.290 nan 0.000 0.589 600 L N 1.135 122.350 121.223 -0.014 0.000 2.010 600 L HA -0.261 4.080 4.340 0.000 0.000 0.219 600 L C 3.349 180.237 176.870 0.031 0.000 1.077 600 L CA 1.712 56.470 54.840 -0.137 0.000 0.773 600 L CB -0.435 41.615 42.059 -0.016 0.000 0.892 600 L HN 0.306 nan 8.230 nan 0.000 0.436 601 A N -0.114 122.808 122.820 0.169 0.000 1.881 601 A HA -0.348 3.972 4.320 0.000 0.000 0.219 601 A C 2.443 180.221 177.584 0.323 0.000 1.215 601 A CA 2.706 54.907 52.037 0.273 0.000 0.648 601 A CB -1.048 18.015 19.000 0.105 0.000 0.832 601 A HN 0.502 nan 8.150 nan 0.000 0.455 602 A N -1.060 121.853 122.820 0.156 0.000 1.968 602 A HA 0.111 4.431 4.320 0.000 0.000 0.217 602 A C 2.061 179.678 177.584 0.055 0.000 1.169 602 A CA 1.263 53.368 52.037 0.114 0.000 0.638 602 A CB -0.509 18.539 19.000 0.080 0.000 0.812 602 A HN 0.488 nan 8.150 nan 0.000 0.446 603 L N -1.692 119.499 121.223 -0.054 0.000 2.549 603 L HA -0.041 4.299 4.340 0.000 0.000 0.229 603 L C 1.442 178.201 176.870 -0.185 0.000 1.158 603 L CA 0.779 55.503 54.840 -0.192 0.000 0.842 603 L CB -0.293 41.538 42.059 -0.380 0.000 0.952 603 L HN 0.487 nan 8.230 nan 0.000 0.452 604 F N -2.181 117.785 119.950 0.027 0.000 2.678 604 F HA 0.060 4.587 4.527 0.000 0.000 0.305 604 F C 1.881 177.561 175.800 -0.200 0.000 1.090 604 F CA -0.257 57.700 58.000 -0.073 0.000 1.272 604 F CB 0.581 39.584 39.000 0.005 0.000 1.060 604 F HN -0.034 nan 8.300 nan 0.000 0.576 605 S N -1.329 114.421 115.700 0.084 0.000 2.520 605 S HA -0.018 4.452 4.470 0.000 0.000 0.219 605 S C 1.547 176.155 174.600 0.013 0.000 1.028 605 S CA 0.467 58.673 58.200 0.010 0.000 0.921 605 S CB 0.366 63.611 63.200 0.075 0.000 0.844 605 S HN 0.458 nan 8.310 nan 0.000 0.495 606 S N 1.629 117.344 115.700 0.025 0.000 4.149 606 S HA -0.356 4.114 4.470 0.000 0.000 0.536 606 S C 0.639 175.251 174.600 0.019 0.000 1.562 606 S CA 2.633 60.843 58.200 0.017 0.000 3.928 606 S CB -1.515 61.691 63.200 0.011 0.000 1.486 606 S HN 1.662 nan 8.310 nan 0.000 0.455 607 R N 0.000 120.509 120.500 0.015 0.000 2.786 607 R HA 0.000 4.340 4.340 0.000 0.000 0.208 607 R CA 0.000 nan 56.100 nan 0.000 0.921 607 R CB 0.000 nan 30.300 nan 0.000 0.687 607 R HN 0.000 nan 8.270 nan 0.000 0.535