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 1aoq_1_A DATA FIRST_RESID 17 DATA SEQUENCE HKTRTDNRYE PSLDNLAQQD VAAPGAPEGV TALSDAQYNE ANKIYFERCA DATA SEQUENCE GCHGVLRKGA TGKALTPDLT RDLGFDYLQS FITYASPAGM PNWGTSGELS DATA SEQUENCE AEQVDLMANY LLLDPAAPPE FGMKEMRESW KVHVAPEDRP TQQMNDWDLE DATA SEQUENCE NLFSVTLRDA GQIALIDGST YEIKTVLDTG YAVHISRLSA SGRYLFVIGR DATA SEQUENCE DGKVNMIDLW MKEPTTVAEI KIGSEARSIE TSKMEGWEDK YAIAGAYWPP DATA SEQUENCE QYVIMDGETL EPKKIQSTRG MTYDEQEYHP EPRVAAILAS HYRPEFIVNV DATA SEQUENCE KETGKILLVD YTDLNNLKTT EISAERFLHD GGLDGSHRYF ITAANARNKL DATA SEQUENCE VVIDTKEGKL VAIEDTGGQT PHPGRGANFV HPTFGPVWAT SHMGDDSVAL DATA SEQUENCE IGTDPEGHPD NAWKILDSFP ALGGGSLFIK THPNSQYLYV DATLNPEAEI DATA SEQUENCE SGSVAVFDIK AMTGDGSDPE FKTLPIAEWA GITEGQPRVV QGEFNKDGTE DATA SEQUENCE VWFSVWNGKD QESALVVVDD KTLELKHVIK DERLVTPTGK FNVYNTMTDT DATA SEQUENCE Y 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 17 H HA 0.000 nan 4.556 nan 0.000 0.296 17 H C 0.000 175.320 175.328 -0.013 0.000 0.993 17 H CA 0.000 56.066 56.048 0.031 0.000 1.023 17 H CB 0.000 29.782 29.762 0.034 0.000 1.292 18 K N 1.284 121.716 120.400 0.054 0.000 2.090 18 K HA 0.316 4.638 4.320 0.003 0.000 0.249 18 K C -0.001 176.591 176.600 -0.014 0.000 0.995 18 K CA -0.279 56.009 56.287 0.002 0.000 0.914 18 K CB 1.064 33.551 32.500 -0.021 0.000 1.057 18 K HN -0.100 nan 8.250 nan 0.000 0.462 19 T N 2.643 117.180 114.554 -0.028 0.000 2.738 19 T HA 0.155 4.507 4.350 0.003 0.000 0.293 19 T C -0.033 174.649 174.700 -0.030 0.000 0.913 19 T CA -0.121 61.958 62.100 -0.036 0.000 1.103 19 T CB -0.071 68.768 68.868 -0.048 0.000 0.880 19 T HN 0.278 nan 8.240 nan 0.000 0.526 20 R N 1.368 121.854 120.500 -0.023 0.000 2.643 20 R HA 0.350 4.692 4.340 0.003 0.000 0.272 20 R C 1.914 178.198 176.300 -0.027 0.000 0.995 20 R CA -0.583 55.505 56.100 -0.022 0.000 1.032 20 R CB 0.762 31.055 30.300 -0.012 0.000 1.126 20 R HN 0.683 nan 8.270 nan 0.000 0.505 21 T N -2.588 111.944 114.554 -0.037 0.000 2.929 21 T HA -0.136 4.215 4.350 0.003 0.000 0.271 21 T C 0.806 175.464 174.700 -0.069 0.000 1.085 21 T CA 1.304 63.375 62.100 -0.049 0.000 1.125 21 T CB -0.177 68.661 68.868 -0.051 0.000 0.874 21 T HN 0.699 nan 8.240 nan 0.000 0.494 22 D N 1.226 121.586 120.400 -0.068 0.000 2.559 22 D HA 0.080 4.721 4.640 0.003 0.000 0.234 22 D C 0.626 176.941 176.300 0.025 0.000 1.226 22 D CA -0.541 53.377 54.000 -0.135 0.000 0.830 22 D CB -0.574 40.123 40.800 -0.170 0.000 1.028 22 D HN 0.574 nan 8.370 nan 0.000 0.492 23 N N 0.078 118.857 118.700 0.131 0.000 2.232 23 N HA 0.057 4.798 4.740 0.003 0.000 0.240 23 N C 0.645 176.232 175.510 0.128 0.000 1.307 23 N CA -0.364 52.811 53.050 0.208 0.000 0.859 23 N CB -0.059 38.468 38.487 0.067 0.000 1.260 23 N HN 0.012 nan 8.380 nan 0.000 0.501 24 R N -0.067 120.527 120.500 0.157 0.000 2.290 24 R HA 0.103 4.445 4.340 0.003 0.000 0.197 24 R C 0.217 176.579 176.300 0.103 0.000 0.913 24 R CA 0.292 56.421 56.100 0.049 0.000 1.040 24 R CB -0.215 30.083 30.300 -0.004 0.000 0.992 24 R HN 0.310 nan 8.270 nan 0.000 0.500 25 Y N 0.674 120.939 120.300 -0.059 0.000 2.547 25 Y HA 0.329 4.880 4.550 0.003 0.000 0.325 25 Y C -0.467 175.432 175.900 -0.001 0.000 1.165 25 Y CA -1.154 56.934 58.100 -0.019 0.000 1.300 25 Y CB -0.421 37.989 38.460 -0.084 0.000 1.126 25 Y HN -0.265 nan 8.280 nan 0.000 0.513 26 E N 1.930 121.949 120.200 -0.301 0.000 2.266 26 E HA 0.296 4.647 4.350 0.003 0.000 0.277 26 E C -2.516 174.035 176.600 -0.082 0.000 1.018 26 E CA -2.415 53.780 56.400 -0.342 0.000 0.840 26 E CB 0.791 30.305 29.700 -0.309 0.000 1.082 26 E HN 0.203 nan 8.360 nan 0.000 0.395 27 P HA -0.036 nan 4.420 nan 0.000 0.260 27 P C -0.494 176.883 177.300 0.128 0.000 1.185 27 P CA 0.376 63.563 63.100 0.145 0.000 0.763 27 P CB 0.429 32.162 31.700 0.054 0.000 0.776 28 S N 3.902 119.755 115.700 0.254 0.000 2.434 28 S HA 0.282 4.753 4.470 0.003 0.000 0.318 28 S C 0.232 174.974 174.600 0.237 0.000 1.062 28 S CA -0.714 57.630 58.200 0.240 0.000 1.116 28 S CB -0.525 62.917 63.200 0.403 0.000 0.977 28 S HN 0.269 nan 8.310 nan 0.000 0.480 29 L N 4.916 126.227 121.223 0.146 0.000 2.672 29 L HA 0.201 4.543 4.340 0.003 0.000 0.238 29 L C 0.857 177.828 176.870 0.169 0.000 1.392 29 L CA -0.452 54.464 54.840 0.127 0.000 1.238 29 L CB -0.608 41.442 42.059 -0.014 0.000 1.548 29 L HN 0.634 nan 8.230 nan 0.000 0.423 30 D N -1.561 118.953 120.400 0.189 0.000 2.312 30 D HA -0.160 4.482 4.640 0.003 0.000 0.211 30 D C 1.332 177.713 176.300 0.135 0.000 0.964 30 D CA 0.725 54.829 54.000 0.174 0.000 0.877 30 D CB -0.031 40.889 40.800 0.199 0.000 0.924 30 D HN 0.304 nan 8.370 nan 0.000 0.515 31 N N 0.048 118.824 118.700 0.126 0.000 2.251 31 N HA -0.045 4.697 4.740 0.003 0.000 0.181 31 N C 1.687 177.275 175.510 0.131 0.000 1.019 31 N CA 0.319 53.429 53.050 0.100 0.000 0.862 31 N CB -0.045 38.492 38.487 0.084 0.000 0.992 31 N HN 0.150 nan 8.380 nan 0.000 0.429 32 L N 1.865 123.186 121.223 0.164 0.000 2.141 32 L HA 0.066 4.408 4.340 0.003 0.000 0.209 32 L C 2.177 179.264 176.870 0.362 0.000 1.094 32 L CA 1.032 56.004 54.840 0.221 0.000 0.763 32 L CB -0.757 41.365 42.059 0.105 0.000 0.908 32 L HN 0.062 nan 8.230 nan 0.000 0.437 33 A N -1.457 121.579 122.820 0.360 0.000 2.070 33 A HA -0.210 4.112 4.320 0.003 0.000 0.220 33 A C 2.084 179.723 177.584 0.092 0.000 1.159 33 A CA 1.324 53.510 52.037 0.248 0.000 0.656 33 A CB -0.418 18.700 19.000 0.196 0.000 0.800 33 A HN 0.509 nan 8.150 nan 0.000 0.453 34 Q N 0.096 119.956 119.800 0.101 0.000 2.369 34 Q HA 0.037 4.379 4.340 0.003 0.000 0.206 34 Q C 0.610 176.647 176.000 0.061 0.000 0.963 34 Q CA 0.523 56.362 55.803 0.061 0.000 0.894 34 Q CB -0.028 28.742 28.738 0.053 0.000 0.965 34 Q HN 0.635 nan 8.270 nan 0.000 0.475 35 Q N 2.039 121.892 119.800 0.089 0.000 2.313 35 Q HA 0.026 4.368 4.340 0.003 0.000 0.266 35 Q C -0.637 175.393 176.000 0.051 0.000 0.989 35 Q CA -0.097 55.760 55.803 0.090 0.000 0.890 35 Q CB 0.803 29.624 28.738 0.137 0.000 1.200 35 Q HN 0.313 nan 8.270 nan 0.000 0.396 36 D N 0.682 121.114 120.400 0.054 0.000 2.350 36 D HA 0.246 4.888 4.640 0.003 0.000 0.249 36 D C -0.042 176.293 176.300 0.059 0.000 1.119 36 D CA -0.437 53.589 54.000 0.044 0.000 0.886 36 D CB 0.900 41.728 40.800 0.046 0.000 1.195 36 D HN 0.173 nan 8.370 nan 0.000 0.437 37 V N -1.827 118.128 119.914 0.068 0.000 2.864 37 V HA 0.887 5.009 4.120 0.003 0.000 0.314 37 V C -0.061 176.108 176.094 0.125 0.000 1.073 37 V CA -1.327 61.038 62.300 0.110 0.000 0.956 37 V CB 1.264 33.176 31.823 0.148 0.000 1.023 37 V HN 0.867 nan 8.190 nan 0.000 0.435 38 A N 2.461 125.327 122.820 0.076 0.000 2.327 38 A HA 0.862 5.184 4.320 0.003 0.000 0.283 38 A C 0.535 178.045 177.584 -0.124 0.000 1.127 38 A CA -0.056 51.984 52.037 0.005 0.000 0.810 38 A CB 0.635 19.625 19.000 -0.017 0.000 1.066 38 A HN 2.178 nan 8.150 nan 0.000 0.492 39 A N 4.111 126.813 122.820 -0.198 0.000 2.409 39 A HA 0.604 4.926 4.320 0.003 0.000 0.267 39 A C -1.749 175.563 177.584 -0.453 0.000 1.127 39 A CA -1.137 50.575 52.037 -0.542 0.000 0.795 39 A CB -0.425 18.425 19.000 -0.250 0.000 1.061 39 A HN 0.727 nan 8.150 nan 0.000 0.502 40 P HA 0.364 nan 4.420 nan 0.000 0.276 40 P C 0.367 177.530 177.300 -0.229 0.000 1.252 40 P CA -0.105 62.798 63.100 -0.329 0.000 0.802 40 P CB 0.870 32.377 31.700 -0.321 0.000 1.035 41 G N -0.467 108.247 108.800 -0.144 0.000 2.572 41 G HA2 0.496 4.457 3.960 0.003 0.000 0.261 41 G HA3 0.496 4.457 3.960 0.003 0.000 0.261 41 G C -0.762 174.083 174.900 -0.091 0.000 1.197 41 G CA -0.424 44.615 45.100 -0.100 0.000 0.870 41 G HN 0.669 nan 8.290 nan 0.000 0.548 42 A N 2.022 124.802 122.820 -0.067 0.000 2.318 42 A HA 0.803 5.125 4.320 0.003 0.000 0.324 42 A C -1.674 175.885 177.584 -0.041 0.000 1.170 42 A CA -1.235 50.770 52.037 -0.053 0.000 0.810 42 A CB 1.106 20.081 19.000 -0.041 0.000 1.198 42 A HN 0.641 nan 8.150 nan 0.000 0.484 43 P HA 0.173 nan 4.420 nan 0.000 0.274 43 P C -0.230 177.056 177.300 -0.024 0.000 1.256 43 P CA -0.536 62.547 63.100 -0.029 0.000 0.795 43 P CB 0.514 32.198 31.700 -0.026 0.000 1.038 44 E N -0.415 119.773 120.200 -0.021 0.000 2.529 44 E HA 0.149 4.501 4.350 0.003 0.000 0.259 44 E C 0.945 177.535 176.600 -0.016 0.000 0.966 44 E CA 1.006 57.395 56.400 -0.018 0.000 0.937 44 E CB -0.608 29.082 29.700 -0.016 0.000 0.923 44 E HN 0.777 nan 8.360 nan 0.000 0.468 45 G N 2.515 111.304 108.800 -0.017 0.000 2.175 45 G HA2 -0.241 3.721 3.960 0.003 0.000 0.244 45 G HA3 -0.241 3.721 3.960 0.003 0.000 0.244 45 G C -0.136 174.755 174.900 -0.014 0.000 0.982 45 G CA 0.111 45.202 45.100 -0.014 0.000 0.641 45 G HN 0.525 nan 8.290 nan 0.000 0.527 46 V N 1.041 120.944 119.914 -0.018 0.000 2.604 46 V HA 0.688 4.810 4.120 0.003 0.000 0.305 46 V C 0.330 176.407 176.094 -0.028 0.000 1.043 46 V CA -0.327 61.964 62.300 -0.015 0.000 0.888 46 V CB 1.948 33.766 31.823 -0.009 0.000 0.995 46 V HN 0.236 nan 8.190 nan 0.000 0.429 47 T N 4.010 118.542 114.554 -0.036 0.000 2.806 47 T HA 0.614 4.965 4.350 0.003 0.000 0.290 47 T C 0.331 175.022 174.700 -0.015 0.000 0.966 47 T CA -0.061 62.014 62.100 -0.042 0.000 1.060 47 T CB 1.384 70.204 68.868 -0.080 0.000 0.927 47 T HN 0.963 nan 8.240 nan 0.000 0.485 48 A N 3.758 126.567 122.820 -0.018 0.000 2.332 48 A HA 0.673 4.994 4.320 0.003 0.000 0.258 48 A C -0.156 177.440 177.584 0.019 0.000 1.087 48 A CA -0.510 51.520 52.037 -0.012 0.000 0.802 48 A CB 0.181 19.160 19.000 -0.035 0.000 1.042 48 A HN 0.839 nan 8.150 nan 0.000 0.489 49 L N 1.438 122.693 121.223 0.053 0.000 2.325 49 L HA 0.393 4.735 4.340 0.003 0.000 0.278 49 L C 0.950 177.867 176.870 0.079 0.000 1.023 49 L CA -0.636 54.267 54.840 0.106 0.000 0.811 49 L CB 1.987 44.185 42.059 0.233 0.000 1.249 49 L HN 0.955 nan 8.230 nan 0.000 0.431 50 S N -0.188 115.555 115.700 0.072 0.000 2.596 50 S HA 0.032 4.504 4.470 0.003 0.000 0.260 50 S C 0.571 175.223 174.600 0.087 0.000 1.336 50 S CA -0.598 57.633 58.200 0.053 0.000 0.993 50 S CB 0.868 64.093 63.200 0.042 0.000 0.923 50 S HN 0.605 nan 8.310 nan 0.000 0.567 51 D N 1.277 121.712 120.400 0.059 0.000 2.123 51 D HA -0.074 4.567 4.640 0.003 0.000 0.196 51 D C 2.157 178.522 176.300 0.107 0.000 0.992 51 D CA 1.909 55.957 54.000 0.080 0.000 0.833 51 D CB -0.800 40.026 40.800 0.044 0.000 0.954 51 D HN 0.695 nan 8.370 nan 0.000 0.455 52 A N 0.437 123.301 122.820 0.073 0.000 1.897 52 A HA -0.170 4.151 4.320 0.003 0.000 0.215 52 A C 2.120 179.741 177.584 0.062 0.000 1.181 52 A CA 1.165 53.236 52.037 0.057 0.000 0.620 52 A CB -0.493 18.529 19.000 0.037 0.000 0.821 52 A HN 0.193 nan 8.150 nan 0.000 0.443 53 Q N -1.967 117.882 119.800 0.081 0.000 2.084 53 Q HA -0.201 4.141 4.340 0.003 0.000 0.202 53 Q C 2.008 178.073 176.000 0.108 0.000 0.978 53 Q CA 1.820 57.673 55.803 0.082 0.000 0.844 53 Q CB -0.331 28.464 28.738 0.095 0.000 0.898 53 Q HN 0.809 nan 8.270 nan 0.000 0.426 54 Y N 1.638 121.967 120.300 0.048 0.000 2.200 54 Y HA -0.182 4.370 4.550 0.003 0.000 0.290 54 Y C 1.968 177.896 175.900 0.046 0.000 1.137 54 Y CA 1.316 59.471 58.100 0.091 0.000 1.163 54 Y CB -0.079 38.425 38.460 0.073 0.000 0.988 54 Y HN 0.114 nan 8.280 nan 0.000 0.518 55 N N 0.335 119.081 118.700 0.076 0.000 2.120 55 N HA -0.211 4.531 4.740 0.003 0.000 0.188 55 N C 1.888 177.320 175.510 -0.131 0.000 1.024 55 N CA 1.535 54.563 53.050 -0.037 0.000 0.852 55 N CB -0.288 38.214 38.487 0.024 0.000 1.003 55 N HN 0.565 nan 8.380 nan 0.000 0.424 56 E N 0.695 120.843 120.200 -0.086 0.000 2.077 56 E HA -0.114 4.237 4.350 0.003 0.000 0.193 56 E C 1.793 178.286 176.600 -0.179 0.000 0.989 56 E CA 1.027 57.368 56.400 -0.097 0.000 0.800 56 E CB 0.030 29.702 29.700 -0.047 0.000 0.746 56 E HN 0.311 nan 8.360 nan 0.000 0.452 57 A N 1.245 123.917 122.820 -0.245 0.000 1.929 57 A HA -0.179 4.143 4.320 0.003 0.000 0.216 57 A C 2.022 179.144 177.584 -0.770 0.000 1.176 57 A CA 1.319 53.105 52.037 -0.417 0.000 0.628 57 A CB -0.658 18.134 19.000 -0.347 0.000 0.816 57 A HN 0.342 nan 8.150 nan 0.000 0.444 58 N N -0.022 118.208 118.700 -0.784 0.000 2.142 58 N HA -0.185 4.557 4.740 0.003 0.000 0.186 58 N C 1.848 177.010 175.510 -0.579 0.000 1.023 58 N CA 1.640 54.199 53.050 -0.819 0.000 0.852 58 N CB -0.180 37.932 38.487 -0.626 0.000 0.998 58 N HN 0.594 nan 8.380 nan 0.000 0.424 59 K N 0.750 120.929 120.400 -0.368 0.000 2.057 59 K HA -0.057 4.265 4.320 0.003 0.000 0.207 59 K C 2.194 178.729 176.600 -0.108 0.000 1.049 59 K CA 0.939 57.110 56.287 -0.193 0.000 0.931 59 K CB -0.034 32.395 32.500 -0.119 0.000 0.714 59 K HN 0.176 nan 8.250 nan 0.000 0.440 60 I N 0.091 120.573 120.570 -0.147 0.000 2.252 60 I HA -0.265 3.907 4.170 0.003 0.000 0.245 60 I C 2.230 178.308 176.117 -0.064 0.000 1.102 60 I CA 1.047 62.292 61.300 -0.092 0.000 1.385 60 I CB -0.321 37.615 38.000 -0.105 0.000 1.064 60 I HN 0.226 nan 8.210 nan 0.000 0.414 61 Y N 1.188 121.347 120.300 -0.234 0.000 2.114 61 Y HA -0.290 4.262 4.550 0.003 0.000 0.284 61 Y C 2.321 178.330 175.900 0.183 0.000 1.143 61 Y CA 1.691 59.733 58.100 -0.097 0.000 1.135 61 Y CB -0.322 37.967 38.460 -0.286 0.000 0.980 61 Y HN -0.024 nan 8.280 nan 0.000 0.499 62 F N 0.833 120.746 119.950 -0.061 0.000 2.171 62 F HA -0.154 4.375 4.527 0.003 0.000 0.300 62 F C 2.312 178.066 175.800 -0.076 0.000 1.090 62 F CA 1.562 59.527 58.000 -0.059 0.000 1.293 62 F CB -0.989 38.018 39.000 0.012 0.000 1.013 62 F HN 0.226 nan 8.300 nan 0.000 0.486 63 E N -0.459 119.823 120.200 0.137 0.000 2.112 63 E HA -0.095 4.256 4.350 0.003 0.000 0.190 63 E C 1.959 178.566 176.600 0.013 0.000 0.979 63 E CA 0.845 57.297 56.400 0.087 0.000 0.814 63 E CB 0.025 29.773 29.700 0.078 0.000 0.762 63 E HN 0.410 nan 8.360 nan 0.000 0.460 64 R N -1.098 119.369 120.500 -0.056 0.000 2.369 64 R HA 0.206 4.547 4.340 0.003 0.000 0.210 64 R C 1.679 177.885 176.300 -0.157 0.000 0.881 64 R CA 0.270 56.313 56.100 -0.095 0.000 1.031 64 R CB 0.525 30.778 30.300 -0.077 0.000 1.184 64 R HN 0.138 nan 8.270 nan 0.000 0.581 65 C N -0.337 118.795 119.300 -0.281 0.000 2.628 65 C HA 0.401 4.863 4.460 0.003 0.000 0.393 65 C C 2.615 177.340 174.990 -0.441 0.000 1.328 65 C CA 0.099 58.912 59.018 -0.342 0.000 2.079 65 C CB 0.104 27.601 27.740 -0.406 0.000 2.663 65 C HN 0.473 nan 8.230 nan 0.000 0.557 66 A N 1.872 124.297 122.820 -0.660 0.000 1.986 66 A HA 0.029 4.351 4.320 0.003 0.000 0.220 66 A C 2.287 179.771 177.584 -0.167 0.000 1.171 66 A CA 2.254 54.074 52.037 -0.362 0.000 0.640 66 A CB -1.263 17.570 19.000 -0.278 0.000 0.811 66 A HN 0.594 nan 8.150 nan 0.000 0.451 67 G N -1.136 107.561 108.800 -0.170 0.000 2.440 67 G HA2 -0.274 3.688 3.960 0.003 0.000 0.218 67 G HA3 -0.274 3.688 3.960 0.003 0.000 0.218 67 G C 1.517 176.307 174.900 -0.182 0.000 1.154 67 G CA 1.450 46.457 45.100 -0.155 0.000 0.767 67 G HN 0.553 nan 8.290 nan 0.000 0.552 68 C N -0.875 118.290 119.300 -0.225 0.000 2.527 68 C HA 0.269 4.731 4.460 0.003 0.000 0.280 68 C C 2.199 176.998 174.990 -0.319 0.000 1.353 68 C CA 0.193 59.020 59.018 -0.319 0.000 1.749 68 C CB -0.635 26.834 27.740 -0.451 0.000 2.088 68 C HN 0.499 nan 8.230 nan 0.000 0.508 69 H N 0.174 119.261 119.070 0.028 0.000 2.654 69 H HA 0.297 4.855 4.556 0.003 0.000 0.264 69 H C 1.323 176.752 175.328 0.169 0.000 0.954 69 H CA 1.216 57.342 56.048 0.129 0.000 1.199 69 H CB 0.218 30.113 29.762 0.220 0.000 1.446 69 H HN 0.502 nan 8.280 nan 0.000 0.516 70 G N 0.809 109.731 108.800 0.203 0.000 2.785 70 G HA2 -0.234 3.728 3.960 0.003 0.000 0.686 70 G HA3 -0.234 3.728 3.960 0.003 0.000 0.686 70 G C 1.013 176.066 174.900 0.255 0.000 1.155 70 G CA 0.013 45.222 45.100 0.183 0.000 0.760 70 G HN 0.296 nan 8.290 nan 0.000 0.624 71 V N 0.056 120.022 119.914 0.086 0.000 2.490 71 V HA -0.003 4.119 4.120 0.003 0.000 0.250 71 V C 2.475 178.663 176.094 0.157 0.000 1.061 71 V CA 2.347 64.658 62.300 0.019 0.000 1.064 71 V CB -0.635 30.819 31.823 -0.616 0.000 0.670 71 V HN 0.772 nan 8.190 nan 0.000 0.461 72 L N -0.455 120.835 121.223 0.111 0.000 2.591 72 L HA 0.324 4.665 4.340 0.003 0.000 0.228 72 L C 1.439 178.377 176.870 0.112 0.000 1.133 72 L CA 0.187 55.091 54.840 0.108 0.000 0.880 72 L CB -0.386 41.750 42.059 0.129 0.000 1.033 72 L HN 0.340 nan 8.230 nan 0.000 0.450 73 R N -0.675 119.937 120.500 0.188 0.000 3.770 73 R HA -0.158 4.184 4.340 0.003 0.000 0.305 73 R C 0.501 176.876 176.300 0.126 0.000 1.184 73 R CA 0.338 56.555 56.100 0.195 0.000 0.823 73 R CB -1.525 28.826 30.300 0.085 0.000 1.285 73 R HN 0.264 nan 8.270 nan 0.000 0.499 74 K N 0.885 121.337 120.400 0.086 0.000 2.444 74 K HA 0.116 4.438 4.320 0.003 0.000 0.193 74 K C 1.014 177.630 176.600 0.026 0.000 1.024 74 K CA 1.038 57.320 56.287 -0.008 0.000 1.077 74 K CB 0.603 33.007 32.500 -0.160 0.000 0.833 74 K HN 0.564 nan 8.250 nan 0.000 0.517 75 G N 0.366 109.258 108.800 0.153 0.000 2.777 75 G HA2 0.004 3.965 3.960 0.003 0.000 0.686 75 G HA3 0.004 3.965 3.960 0.003 0.000 0.686 75 G C -0.123 174.950 174.900 0.289 0.000 1.177 75 G CA -0.313 44.916 45.100 0.214 0.000 0.775 75 G HN 0.358 nan 8.290 nan 0.000 0.613 76 A N 0.770 123.730 122.820 0.235 0.000 2.446 76 A HA 0.882 5.204 4.320 0.003 0.000 0.199 76 A C 2.245 179.981 177.584 0.252 0.000 1.677 76 A CA 1.260 53.471 52.037 0.290 0.000 1.600 76 A CB -0.596 18.485 19.000 0.136 0.000 1.583 76 A HN 2.257 nan 8.150 nan 0.000 0.551 77 T N -1.325 113.195 114.554 -0.058 0.000 2.951 77 T HA 0.319 4.671 4.350 0.003 0.000 0.268 77 T C 0.986 175.579 174.700 -0.179 0.000 1.073 77 T CA 1.027 62.904 62.100 -0.372 0.000 1.134 77 T CB -0.562 68.035 68.868 -0.450 0.000 0.884 77 T HN 0.992 nan 8.240 nan 0.000 0.479 78 G N 1.552 110.257 108.800 -0.157 0.000 2.410 78 G HA2 0.546 4.507 3.960 0.003 0.000 0.330 78 G HA3 0.546 4.507 3.960 0.003 0.000 0.330 78 G C -0.447 174.513 174.900 0.101 0.000 1.142 78 G CA -1.215 43.809 45.100 -0.126 0.000 0.902 78 G HN 0.629 nan 8.290 nan 0.000 0.491 79 K N 0.029 120.555 120.400 0.209 0.000 2.286 79 K HA 0.506 4.827 4.320 0.003 0.000 0.256 79 K C 0.406 177.169 176.600 0.273 0.000 0.999 79 K CA -0.096 56.316 56.287 0.208 0.000 0.908 79 K CB 0.503 33.087 32.500 0.141 0.000 0.981 79 K HN 0.467 nan 8.250 nan 0.000 0.500 80 A N 1.839 124.756 122.820 0.160 0.000 2.445 80 A HA 0.207 4.529 4.320 0.003 0.000 0.242 80 A C 0.308 177.938 177.584 0.077 0.000 1.075 80 A CA -0.410 51.701 52.037 0.124 0.000 0.777 80 A CB -0.216 18.822 19.000 0.063 0.000 1.013 80 A HN 0.726 nan 8.150 nan 0.000 0.493 81 L N 2.523 123.780 121.223 0.057 0.000 3.255 81 L HA 0.145 4.487 4.340 0.003 0.000 0.293 81 L C 0.591 177.448 176.870 -0.022 0.000 1.302 81 L CA -0.276 54.554 54.840 -0.016 0.000 0.977 81 L CB -0.143 41.877 42.059 -0.066 0.000 1.390 81 L HN 0.900 nan 8.230 nan 0.000 0.588 82 T N -3.602 110.947 114.554 -0.008 0.000 2.900 82 T HA 0.133 4.484 4.350 0.003 0.000 0.307 82 T C -1.670 173.011 174.700 -0.033 0.000 1.065 82 T CA -1.247 60.841 62.100 -0.021 0.000 1.105 82 T CB 0.936 69.801 68.868 -0.006 0.000 0.979 82 T HN -0.091 nan 8.240 nan 0.000 0.544 83 P HA -0.239 nan 4.420 nan 0.000 0.218 83 P C 1.576 178.861 177.300 -0.025 0.000 1.154 83 P CA 1.611 64.688 63.100 -0.039 0.000 0.872 83 P CB -0.042 31.632 31.700 -0.043 0.000 0.790 84 D N -0.509 119.878 120.400 -0.021 0.000 2.123 84 D HA -0.171 4.471 4.640 0.003 0.000 0.196 84 D C 1.914 178.201 176.300 -0.021 0.000 0.992 84 D CA 1.293 55.283 54.000 -0.018 0.000 0.833 84 D CB -0.983 39.809 40.800 -0.014 0.000 0.954 84 D HN 0.230 nan 8.370 nan 0.000 0.455 85 L N 0.831 122.040 121.223 -0.024 0.000 2.068 85 L HA -0.091 4.251 4.340 0.003 0.000 0.204 85 L C 3.075 179.921 176.870 -0.039 0.000 1.076 85 L CA 1.657 56.477 54.840 -0.033 0.000 0.753 85 L CB -0.949 41.092 42.059 -0.029 0.000 0.910 85 L HN 0.191 nan 8.230 nan 0.000 0.439 86 T N -2.251 112.285 114.554 -0.029 0.000 2.788 86 T HA -0.203 4.149 4.350 0.003 0.000 0.268 86 T C 1.985 176.689 174.700 0.006 0.000 1.044 86 T CA 0.950 63.042 62.100 -0.014 0.000 1.139 86 T CB -0.332 68.528 68.868 -0.012 0.000 0.867 86 T HN 0.230 nan 8.240 nan 0.000 0.454 87 R N 1.103 121.604 120.500 0.002 0.000 2.115 87 R HA -0.019 4.323 4.340 0.003 0.000 0.230 87 R C 2.136 178.439 176.300 0.006 0.000 1.111 87 R CA 1.442 57.550 56.100 0.015 0.000 0.976 87 R CB -0.268 30.035 30.300 0.006 0.000 0.870 87 R HN 0.425 nan 8.270 nan 0.000 0.445 88 D N 0.513 120.902 120.400 -0.018 0.000 2.183 88 D HA -0.080 4.561 4.640 0.003 0.000 0.203 88 D C 1.863 178.128 176.300 -0.058 0.000 0.969 88 D CA 0.911 54.890 54.000 -0.035 0.000 0.842 88 D CB 0.057 40.827 40.800 -0.049 0.000 0.957 88 D HN 0.192 nan 8.370 nan 0.000 0.484 89 L N -0.144 121.035 121.223 -0.073 0.000 2.072 89 L HA 0.121 4.462 4.340 0.003 0.000 0.205 89 L C 1.218 178.098 176.870 0.017 0.000 1.079 89 L CA 0.686 55.446 54.840 -0.132 0.000 0.752 89 L CB -0.567 41.411 42.059 -0.135 0.000 0.906 89 L HN 0.101 nan 8.230 nan 0.000 0.436 90 G N -1.302 107.543 108.800 0.075 0.000 2.692 90 G HA2 -0.296 3.666 3.960 0.003 0.000 0.686 90 G HA3 -0.296 3.666 3.960 0.003 0.000 0.686 90 G C -0.101 174.916 174.900 0.196 0.000 1.243 90 G CA -0.118 45.064 45.100 0.136 0.000 0.782 90 G HN 0.083 nan 8.290 nan 0.000 0.625 91 F N 0.996 120.990 119.950 0.072 0.000 2.126 91 F HA -0.079 4.450 4.527 0.003 0.000 0.299 91 F C 2.258 178.105 175.800 0.079 0.000 1.096 91 F CA 2.681 60.721 58.000 0.068 0.000 1.255 91 F CB 0.015 39.042 39.000 0.046 0.000 0.997 91 F HN 0.512 nan 8.300 nan 0.000 0.479 92 D N -0.756 119.769 120.400 0.208 0.000 2.123 92 D HA -0.256 4.386 4.640 0.003 0.000 0.196 92 D C 1.944 178.259 176.300 0.024 0.000 0.992 92 D CA 1.783 55.843 54.000 0.100 0.000 0.833 92 D CB -0.864 40.036 40.800 0.167 0.000 0.954 92 D HN 0.480 nan 8.370 nan 0.000 0.455 93 Y N 1.308 121.602 120.300 -0.009 0.000 2.145 93 Y HA -0.142 4.409 4.550 0.003 0.000 0.286 93 Y C 2.142 178.037 175.900 -0.008 0.000 1.145 93 Y CA 1.344 59.451 58.100 0.011 0.000 1.148 93 Y CB -0.405 38.062 38.460 0.011 0.000 0.981 93 Y HN -0.087 nan 8.280 nan 0.000 0.507 94 L N 0.231 121.416 121.223 -0.062 0.000 2.012 94 L HA -0.287 4.055 4.340 0.003 0.000 0.210 94 L C 2.714 179.438 176.870 -0.243 0.000 1.073 94 L CA 2.017 56.759 54.840 -0.164 0.000 0.748 94 L CB -0.888 41.111 42.059 -0.099 0.000 0.891 94 L HN 0.333 nan 8.230 nan 0.000 0.431 95 Q N 0.007 119.561 119.800 -0.411 0.000 2.061 95 Q HA -0.217 4.125 4.340 0.003 0.000 0.204 95 Q C 2.318 178.173 176.000 -0.242 0.000 0.984 95 Q CA 2.321 57.874 55.803 -0.417 0.000 0.846 95 Q CB 0.039 28.409 28.738 -0.614 0.000 0.902 95 Q HN 0.443 nan 8.270 nan 0.000 0.421 96 S N 0.091 115.665 115.700 -0.210 0.000 2.368 96 S HA -0.127 4.345 4.470 0.003 0.000 0.225 96 S C 1.433 175.939 174.600 -0.157 0.000 1.030 96 S CA 1.111 59.200 58.200 -0.185 0.000 0.999 96 S CB -0.434 62.703 63.200 -0.105 0.000 0.844 96 S HN 0.435 nan 8.310 nan 0.000 0.459 97 F N 2.174 121.945 119.950 -0.299 0.000 2.102 97 F HA 0.000 4.529 4.527 0.003 0.000 0.298 97 F C 1.845 177.616 175.800 -0.049 0.000 1.105 97 F CA 1.196 59.078 58.000 -0.197 0.000 1.239 97 F CB -0.292 38.396 39.000 -0.520 0.000 0.991 97 F HN 0.096 nan 8.300 nan 0.000 0.474 98 I N -0.685 119.991 120.570 0.175 0.000 2.614 98 I HA -0.247 3.924 4.170 0.003 0.000 0.258 98 I C 1.979 178.110 176.117 0.023 0.000 1.189 98 I CA 1.187 62.584 61.300 0.162 0.000 1.462 98 I CB -0.816 37.242 38.000 0.097 0.000 1.092 98 I HN 0.118 nan 8.210 nan 0.000 0.442 99 T N 0.185 114.655 114.554 -0.139 0.000 2.833 99 T HA -0.195 4.157 4.350 0.003 0.000 0.269 99 T C 1.535 176.076 174.700 -0.265 0.000 1.054 99 T CA 1.438 63.386 62.100 -0.254 0.000 1.135 99 T CB -0.340 68.280 68.868 -0.412 0.000 0.869 99 T HN 0.314 nan 8.240 nan 0.000 0.466 100 Y N 1.599 121.842 120.300 -0.094 0.000 2.574 100 Y HA 0.328 4.880 4.550 0.003 0.000 0.294 100 Y C 1.472 177.348 175.900 -0.040 0.000 1.142 100 Y CA 0.119 58.159 58.100 -0.099 0.000 1.314 100 Y CB -0.619 37.724 38.460 -0.195 0.000 0.991 100 Y HN 0.389 nan 8.280 nan 0.000 0.555 101 A N -0.266 122.629 122.820 0.125 0.000 6.040 101 A HA 0.138 4.460 4.320 0.003 0.000 0.208 101 A C 0.123 177.788 177.584 0.134 0.000 2.496 101 A CA -0.166 51.927 52.037 0.094 0.000 0.689 101 A CB -1.710 17.314 19.000 0.039 0.000 0.760 101 A HN 0.627 nan 8.150 nan 0.000 0.329 102 S N -0.988 114.707 115.700 -0.009 0.000 2.588 102 S HA 0.842 5.314 4.470 0.003 0.000 0.275 102 S C -3.337 171.175 174.600 -0.147 0.000 1.130 102 S CA -1.073 57.010 58.200 -0.195 0.000 0.855 102 S CB 1.874 64.928 63.200 -0.244 0.000 1.116 102 S HN 0.861 nan 8.310 nan 0.000 0.472 103 P HA 0.279 nan 4.420 nan 0.000 0.264 103 P C -0.455 176.777 177.300 -0.113 0.000 1.183 103 P CA 0.201 63.232 63.100 -0.115 0.000 0.763 103 P CB 0.151 31.784 31.700 -0.112 0.000 0.807 104 A N 3.545 126.306 122.820 -0.098 0.000 2.386 104 A HA 0.534 4.856 4.320 0.003 0.000 0.248 104 A C 1.065 178.564 177.584 -0.141 0.000 1.082 104 A CA 0.396 52.363 52.037 -0.117 0.000 0.789 104 A CB -0.219 18.715 19.000 -0.109 0.000 1.025 104 A HN 0.592 nan 8.150 nan 0.000 0.490 105 G N 0.424 109.105 108.800 -0.198 0.000 2.531 105 G HA2 0.483 4.445 3.960 0.003 0.000 0.253 105 G HA3 0.483 4.445 3.960 0.003 0.000 0.253 105 G C 0.302 175.008 174.900 -0.323 0.000 1.439 105 G CA -0.869 44.071 45.100 -0.266 0.000 1.056 105 G HN 0.592 nan 8.290 nan 0.000 0.555 106 M N 1.999 121.312 119.600 -0.479 0.000 2.252 106 M HA 0.174 4.656 4.480 0.003 0.000 0.333 106 M C -1.809 174.170 176.300 -0.536 0.000 1.111 106 M CA -2.054 53.014 55.300 -0.387 0.000 1.140 106 M CB 0.346 32.838 32.600 -0.181 0.000 1.538 106 M HN 0.264 nan 8.290 nan 0.000 0.448 107 P HA 0.067 nan 4.420 nan 0.000 0.270 107 P C 0.032 177.037 177.300 -0.491 0.000 1.223 107 P CA 0.070 62.930 63.100 -0.400 0.000 0.785 107 P CB 0.588 32.064 31.700 -0.373 0.000 0.923 108 N N -0.571 117.915 118.700 -0.356 0.000 2.649 108 N HA -0.175 4.567 4.740 0.003 0.000 0.214 108 N C 0.854 176.421 175.510 0.095 0.000 1.042 108 N CA 2.577 55.507 53.050 -0.201 0.000 1.906 108 N CB -1.594 36.630 38.487 -0.439 0.000 0.898 108 N HN 0.799 nan 8.380 nan 0.000 0.532 109 W N 0.615 121.939 121.300 0.041 0.000 2.701 109 W HA 0.534 5.196 4.660 0.003 0.000 0.254 109 W C 0.602 177.183 176.519 0.104 0.000 1.017 109 W CA 0.471 57.892 57.345 0.127 0.000 1.326 109 W CB -0.542 29.065 29.460 0.245 0.000 0.881 109 W HN 0.083 nan 8.180 nan 0.000 0.647 110 G N 2.226 110.562 108.800 -0.774 0.000 2.684 110 G HA2 0.273 4.235 3.960 0.003 0.000 0.255 110 G HA3 0.273 4.235 3.960 0.003 0.000 0.255 110 G C -0.165 174.565 174.900 -0.284 0.000 1.219 110 G CA 0.175 44.832 45.100 -0.739 0.000 0.901 110 G HN -0.019 nan 8.290 nan 0.000 0.548 111 T N -1.866 112.561 114.554 -0.212 0.000 2.860 111 T HA 0.264 4.616 4.350 0.003 0.000 0.299 111 T C 1.844 176.470 174.700 -0.122 0.000 1.045 111 T CA 0.420 62.452 62.100 -0.114 0.000 1.071 111 T CB 0.681 69.500 68.868 -0.081 0.000 0.985 111 T HN 0.739 nan 8.240 nan 0.000 0.537 112 S N 1.637 117.286 115.700 -0.084 0.000 2.478 112 S HA 0.274 4.746 4.470 0.003 0.000 0.222 112 S C 1.803 176.362 174.600 -0.068 0.000 1.008 112 S CA 0.634 58.789 58.200 -0.076 0.000 0.928 112 S CB -0.292 62.874 63.200 -0.055 0.000 0.781 112 S HN 1.706 nan 8.310 nan 0.000 0.518 113 G N 0.987 109.748 108.800 -0.065 0.000 2.159 113 G HA2 -0.235 3.727 3.960 0.003 0.000 0.256 113 G HA3 -0.235 3.727 3.960 0.003 0.000 0.256 113 G C -0.299 174.580 174.900 -0.035 0.000 0.977 113 G CA 0.161 45.226 45.100 -0.059 0.000 0.652 113 G HN 0.614 nan 8.290 nan 0.000 0.531 114 E N -0.129 120.052 120.200 -0.031 0.000 2.283 114 E HA 0.642 4.994 4.350 0.003 0.000 0.278 114 E C 0.089 176.677 176.600 -0.019 0.000 1.027 114 E CA -0.300 56.087 56.400 -0.022 0.000 0.843 114 E CB 1.301 30.987 29.700 -0.024 0.000 1.062 114 E HN 0.338 nan 8.360 nan 0.000 0.401 115 L N 1.871 123.084 121.223 -0.016 0.000 2.381 115 L HA 0.329 4.671 4.340 0.003 0.000 0.268 115 L C 0.280 177.137 176.870 -0.021 0.000 0.997 115 L CA -0.803 54.027 54.840 -0.016 0.000 0.818 115 L CB 2.016 44.070 42.059 -0.008 0.000 1.310 115 L HN 0.575 nan 8.230 nan 0.000 0.416 116 S N 1.113 116.803 115.700 -0.017 0.000 2.661 116 S HA 0.453 4.924 4.470 0.003 0.000 0.265 116 S C 1.117 175.707 174.600 -0.017 0.000 1.225 116 S CA 0.012 58.203 58.200 -0.017 0.000 0.986 116 S CB 1.456 64.650 63.200 -0.010 0.000 1.008 116 S HN 0.706 nan 8.310 nan 0.000 0.565 117 A N 0.139 122.950 122.820 -0.014 0.000 1.930 117 A HA -0.031 4.291 4.320 0.003 0.000 0.217 117 A C 2.089 179.678 177.584 0.009 0.000 1.175 117 A CA 1.793 53.824 52.037 -0.010 0.000 0.627 117 A CB -1.253 17.743 19.000 -0.007 0.000 0.815 117 A HN 0.956 nan 8.150 nan 0.000 0.443 118 E N 0.224 120.431 120.200 0.011 0.000 2.077 118 E HA -0.202 4.150 4.350 0.003 0.000 0.193 118 E C 2.100 178.715 176.600 0.024 0.000 0.989 118 E CA 1.839 58.253 56.400 0.022 0.000 0.800 118 E CB -0.308 29.401 29.700 0.015 0.000 0.746 118 E HN 0.723 nan 8.360 nan 0.000 0.452 119 Q N -0.597 119.208 119.800 0.009 0.000 2.172 119 Q HA -0.054 4.288 4.340 0.003 0.000 0.200 119 Q C 2.233 178.239 176.000 0.009 0.000 0.964 119 Q CA 1.273 57.077 55.803 0.002 0.000 0.855 119 Q CB 0.143 28.875 28.738 -0.010 0.000 0.918 119 Q HN 0.193 nan 8.270 nan 0.000 0.444 120 V N 1.591 121.508 119.914 0.004 0.000 2.490 120 V HA -0.239 3.882 4.120 0.003 0.000 0.250 120 V C 1.374 177.473 176.094 0.008 0.000 1.061 120 V CA 1.802 64.097 62.300 -0.009 0.000 1.064 120 V CB -0.393 31.406 31.823 -0.040 0.000 0.670 120 V HN 0.325 nan 8.190 nan 0.000 0.461 121 D N 0.111 120.548 120.400 0.061 0.000 2.103 121 D HA -0.070 4.572 4.640 0.003 0.000 0.199 121 D C 2.187 178.593 176.300 0.177 0.000 0.978 121 D CA 1.070 55.169 54.000 0.165 0.000 0.829 121 D CB -0.266 40.638 40.800 0.174 0.000 0.981 121 D HN 0.316 nan 8.370 nan 0.000 0.464 122 L N 0.199 121.487 121.223 0.108 0.000 2.012 122 L HA -0.186 4.156 4.340 0.003 0.000 0.210 122 L C 2.467 179.403 176.870 0.109 0.000 1.073 122 L CA 0.836 55.735 54.840 0.098 0.000 0.748 122 L CB -0.411 41.668 42.059 0.034 0.000 0.891 122 L HN 0.052 nan 8.230 nan 0.000 0.431 123 M N -0.339 119.300 119.600 0.065 0.000 2.117 123 M HA -0.140 4.342 4.480 0.003 0.000 0.262 123 M C 2.590 178.970 176.300 0.133 0.000 1.065 123 M CA 2.004 57.350 55.300 0.076 0.000 1.114 123 M CB -1.502 31.128 32.600 0.050 0.000 1.361 123 M HN 0.292 nan 8.290 nan 0.000 0.408 124 A N 0.740 123.608 122.820 0.080 0.000 1.902 124 A HA -0.166 4.156 4.320 0.003 0.000 0.217 124 A C 2.089 179.800 177.584 0.211 0.000 1.181 124 A CA 1.710 53.763 52.037 0.026 0.000 0.623 124 A CB -0.709 18.098 19.000 -0.321 0.000 0.818 124 A HN 0.501 nan 8.150 nan 0.000 0.443 125 N N -1.425 117.467 118.700 0.321 0.000 2.142 125 N HA -0.161 4.580 4.740 0.003 0.000 0.186 125 N C 1.640 177.285 175.510 0.226 0.000 1.023 125 N CA 1.658 54.889 53.050 0.303 0.000 0.852 125 N CB -0.615 38.025 38.487 0.255 0.000 0.998 125 N HN 0.672 nan 8.380 nan 0.000 0.424 126 Y N 2.019 122.368 120.300 0.081 0.000 2.128 126 Y HA -0.115 4.437 4.550 0.003 0.000 0.284 126 Y C 2.147 178.044 175.900 -0.005 0.000 1.154 126 Y CA 1.435 59.548 58.100 0.020 0.000 1.149 126 Y CB -0.422 37.965 38.460 -0.121 0.000 0.976 126 Y HN -0.028 nan 8.280 nan 0.000 0.505 127 L N -0.076 121.210 121.223 0.105 0.000 2.353 127 L HA -0.192 4.150 4.340 0.003 0.000 0.220 127 L C 1.901 178.739 176.870 -0.053 0.000 1.133 127 L CA 0.717 55.542 54.840 -0.025 0.000 0.798 127 L CB -0.396 41.690 42.059 0.044 0.000 0.922 127 L HN 0.354 nan 8.230 nan 0.000 0.445 128 L N -0.815 120.410 121.223 0.003 0.000 2.509 128 L HA 0.095 4.436 4.340 0.003 0.000 0.222 128 L C 0.756 177.607 176.870 -0.030 0.000 1.123 128 L CA -0.002 54.846 54.840 0.013 0.000 0.856 128 L CB 0.090 42.198 42.059 0.082 0.000 0.985 128 L HN 0.164 nan 8.230 nan 0.000 0.456 129 L N -0.694 120.485 121.223 -0.073 0.000 2.399 129 L HA 0.246 4.588 4.340 0.003 0.000 0.265 129 L C -0.146 176.642 176.870 -0.137 0.000 1.089 129 L CA -0.710 54.076 54.840 -0.089 0.000 0.802 129 L CB 0.797 42.827 42.059 -0.048 0.000 1.180 129 L HN -0.051 nan 8.230 nan 0.000 0.454 130 D N 2.833 123.166 120.400 -0.113 0.000 2.325 130 D HA 0.195 4.837 4.640 0.003 0.000 0.251 130 D C -2.124 174.118 176.300 -0.096 0.000 1.196 130 D CA -0.784 53.158 54.000 -0.096 0.000 0.866 130 D CB 0.962 41.721 40.800 -0.070 0.000 1.101 130 D HN 0.264 nan 8.370 nan 0.000 0.476 131 P HA 0.271 nan 4.420 nan 0.000 0.282 131 P C -0.916 176.398 177.300 0.024 0.000 1.249 131 P CA -0.543 62.540 63.100 -0.028 0.000 0.806 131 P CB 1.373 33.034 31.700 -0.065 0.000 0.984 132 A N 2.394 125.254 122.820 0.067 0.000 2.264 132 A HA 0.649 4.971 4.320 0.003 0.000 0.304 132 A C 0.123 177.766 177.584 0.099 0.000 1.100 132 A CA -0.576 51.505 52.037 0.073 0.000 0.839 132 A CB 0.295 19.338 19.000 0.072 0.000 1.121 132 A HN 0.630 nan 8.150 nan 0.000 0.496 133 A N 1.758 124.645 122.820 0.112 0.000 2.331 133 A HA 0.647 4.969 4.320 0.003 0.000 0.283 133 A C -2.306 175.352 177.584 0.123 0.000 1.142 133 A CA -1.330 50.779 52.037 0.120 0.000 0.812 133 A CB -0.549 18.600 19.000 0.249 0.000 1.074 133 A HN 0.635 nan 8.150 nan 0.000 0.497 134 P HA 0.261 nan 4.420 nan 0.000 0.271 134 P C -2.430 175.076 177.300 0.344 0.000 1.233 134 P CA -0.652 62.475 63.100 0.046 0.000 0.789 134 P CB -0.255 31.201 31.700 -0.406 0.000 0.951 135 P HA 0.037 nan 4.420 nan 0.000 0.268 135 P C -0.022 177.573 177.300 0.492 0.000 1.208 135 P CA 0.324 63.637 63.100 0.356 0.000 0.777 135 P CB 0.391 32.258 31.700 0.279 0.000 0.875 136 E N 0.868 121.261 120.200 0.323 0.000 2.351 136 E HA 0.334 4.686 4.350 0.003 0.000 0.255 136 E C -0.816 175.938 176.600 0.256 0.000 1.188 136 E CA -0.057 56.479 56.400 0.227 0.000 0.940 136 E CB 0.378 30.142 29.700 0.106 0.000 1.094 136 E HN 0.330 nan 8.360 nan 0.000 0.474 137 F N 0.120 120.077 119.950 0.011 0.000 3.090 137 F HA 0.382 4.911 4.527 0.003 0.000 0.381 137 F C 0.092 175.875 175.800 -0.027 0.000 1.231 137 F CA -0.306 57.704 58.000 0.016 0.000 1.177 137 F CB 0.687 39.705 39.000 0.031 0.000 1.598 137 F HN 0.410 nan 8.300 nan 0.000 0.589 138 G N 2.549 111.267 108.800 -0.137 0.000 2.702 138 G HA2 0.281 4.243 3.960 0.003 0.000 0.254 138 G HA3 0.281 4.243 3.960 0.003 0.000 0.254 138 G C 0.709 175.526 174.900 -0.139 0.000 1.380 138 G CA -0.516 44.526 45.100 -0.096 0.000 1.042 138 G HN 0.534 nan 8.290 nan 0.000 0.557 139 M N -0.191 119.350 119.600 -0.098 0.000 2.082 139 M HA -0.044 4.437 4.480 0.003 0.000 0.258 139 M C 2.358 178.601 176.300 -0.095 0.000 1.069 139 M CA 2.004 57.252 55.300 -0.088 0.000 1.102 139 M CB -0.481 32.075 32.600 -0.073 0.000 1.336 139 M HN 0.610 nan 8.290 nan 0.000 0.404 140 K N -0.614 119.723 120.400 -0.105 0.000 2.032 140 K HA -0.236 4.085 4.320 0.003 0.000 0.209 140 K C 1.697 178.213 176.600 -0.141 0.000 1.048 140 K CA 2.075 58.306 56.287 -0.093 0.000 0.927 140 K CB -0.091 32.359 32.500 -0.083 0.000 0.712 140 K HN 0.319 nan 8.250 nan 0.000 0.441 141 E N 0.362 120.381 120.200 -0.301 0.000 2.072 141 E HA -0.143 4.209 4.350 0.003 0.000 0.191 141 E C 1.983 178.380 176.600 -0.338 0.000 0.985 141 E CA 1.547 57.633 56.400 -0.523 0.000 0.801 141 E CB -0.090 28.843 29.700 -1.278 0.000 0.750 141 E HN 0.338 nan 8.360 nan 0.000 0.452 142 M N -0.108 119.372 119.600 -0.200 0.000 2.086 142 M HA -0.125 4.357 4.480 0.003 0.000 0.261 142 M C 2.211 178.588 176.300 0.129 0.000 1.067 142 M CA 1.477 56.842 55.300 0.107 0.000 1.116 142 M CB -0.199 32.455 32.600 0.090 0.000 1.348 142 M HN -0.019 nan 8.290 nan 0.000 0.407 143 R N -0.222 120.326 120.500 0.080 0.000 2.120 143 R HA -0.172 4.170 4.340 0.003 0.000 0.234 143 R C 2.042 178.472 176.300 0.217 0.000 1.123 143 R CA 1.224 57.445 56.100 0.203 0.000 0.975 143 R CB -0.268 30.120 30.300 0.146 0.000 0.866 143 R HN 0.269 nan 8.270 nan 0.000 0.446 144 E N 0.481 120.747 120.200 0.110 0.000 2.150 144 E HA -0.112 4.239 4.350 0.003 0.000 0.193 144 E C 1.684 178.359 176.600 0.125 0.000 0.985 144 E CA 1.596 58.049 56.400 0.089 0.000 0.814 144 E CB 0.089 29.811 29.700 0.036 0.000 0.752 144 E HN 0.274 nan 8.360 nan 0.000 0.466 145 S N -1.060 114.746 115.700 0.177 0.000 2.528 145 S HA -0.022 4.450 4.470 0.003 0.000 0.219 145 S C 0.411 175.151 174.600 0.233 0.000 0.985 145 S CA -0.407 57.915 58.200 0.204 0.000 0.914 145 S CB -0.421 62.942 63.200 0.271 0.000 0.776 145 S HN 0.358 nan 8.310 nan 0.000 0.526 146 W N 3.589 124.910 121.300 0.034 0.000 2.368 146 W HA 0.491 5.152 4.660 0.002 0.000 0.316 146 W C -0.588 175.906 176.519 -0.042 0.000 1.375 146 W CA -1.100 56.244 57.345 -0.003 0.000 1.261 146 W CB -0.048 29.410 29.460 -0.004 0.000 1.298 146 W HN 0.022 nan 8.180 nan 0.000 0.539 147 K N 5.047 125.284 120.400 -0.272 0.000 2.541 147 K HA 0.399 4.720 4.320 0.003 0.000 0.250 147 K C -1.409 174.763 176.600 -0.713 0.000 0.950 147 K CA -0.938 55.042 56.287 -0.511 0.000 0.805 147 K CB 2.201 34.526 32.500 -0.292 0.000 1.166 147 K HN 0.084 nan 8.250 nan 0.000 0.430 148 V N 5.004 124.495 119.914 -0.704 0.000 2.304 148 V HA 0.089 4.211 4.120 0.003 0.000 0.269 148 V C 0.737 176.622 176.094 -0.347 0.000 1.036 148 V CA -0.506 61.503 62.300 -0.485 0.000 0.840 148 V CB 0.490 32.071 31.823 -0.403 0.000 1.036 148 V HN 0.811 nan 8.190 nan 0.000 0.466 149 H N 3.230 122.244 119.070 -0.093 0.000 2.403 149 H HA 0.132 4.689 4.556 0.003 0.000 0.298 149 H C 0.381 175.680 175.328 -0.049 0.000 1.059 149 H CA 0.951 56.961 56.048 -0.063 0.000 1.363 149 H CB 0.542 30.283 29.762 -0.036 0.000 1.410 149 H HN 0.397 nan 8.280 nan 0.000 0.528 150 V N 1.231 121.176 119.914 0.053 0.000 2.419 150 V HA 0.482 4.604 4.120 0.003 0.000 0.287 150 V C 0.134 176.226 176.094 -0.003 0.000 1.017 150 V CA -1.097 61.220 62.300 0.028 0.000 0.844 150 V CB 1.254 33.105 31.823 0.046 0.000 1.011 150 V HN 0.356 nan 8.190 nan 0.000 0.429 151 A N 6.374 129.184 122.820 -0.016 0.000 2.483 151 A HA 0.474 4.796 4.320 0.003 0.000 0.238 151 A C -1.222 176.365 177.584 0.005 0.000 1.070 151 A CA -0.674 51.352 52.037 -0.019 0.000 0.770 151 A CB 0.048 19.035 19.000 -0.023 0.000 1.008 151 A HN 0.666 nan 8.150 nan 0.000 0.497 152 P HA -0.194 nan 4.420 nan 0.000 0.216 152 P C 0.743 178.063 177.300 0.033 0.000 1.154 152 P CA 1.838 64.953 63.100 0.026 0.000 0.865 152 P CB 0.095 31.804 31.700 0.014 0.000 0.789 153 E N -0.840 119.373 120.200 0.021 0.000 2.265 153 E HA -0.139 4.213 4.350 0.003 0.000 0.196 153 E C 1.111 177.725 176.600 0.024 0.000 0.996 153 E CA 1.026 57.439 56.400 0.021 0.000 0.832 153 E CB -0.789 28.919 29.700 0.013 0.000 0.756 153 E HN 0.367 nan 8.360 nan 0.000 0.491 154 D N 0.081 120.495 120.400 0.023 0.000 2.349 154 D HA 0.073 4.715 4.640 0.003 0.000 0.214 154 D C 0.185 176.506 176.300 0.035 0.000 1.063 154 D CA 0.088 54.102 54.000 0.023 0.000 0.847 154 D CB 0.297 41.106 40.800 0.015 0.000 0.933 154 D HN 0.100 nan 8.370 nan 0.000 0.513 155 R N 1.498 122.029 120.500 0.051 0.000 2.532 155 R HA 0.363 4.705 4.340 0.003 0.000 0.272 155 R C -2.082 174.269 176.300 0.085 0.000 1.032 155 R CA -1.371 54.772 56.100 0.072 0.000 1.089 155 R CB 0.337 30.696 30.300 0.099 0.000 1.098 155 R HN -0.038 nan 8.270 nan 0.000 0.526 156 P HA -0.005 nan 4.420 nan 0.000 0.272 156 P C 0.103 177.525 177.300 0.202 0.000 1.240 156 P CA -0.010 63.161 63.100 0.119 0.000 0.791 156 P CB 0.665 32.428 31.700 0.104 0.000 0.978 157 T N -3.138 111.506 114.554 0.150 0.000 3.069 157 T HA 0.134 4.486 4.350 0.003 0.000 0.252 157 T C 0.630 175.436 174.700 0.175 0.000 1.053 157 T CA -0.078 62.137 62.100 0.191 0.000 0.964 157 T CB -0.144 68.778 68.868 0.090 0.000 1.005 157 T HN 0.687 nan 8.240 nan 0.000 0.532 158 Q N -0.207 119.567 119.800 -0.044 0.000 2.575 158 Q HA 0.356 4.697 4.340 0.003 0.000 0.290 158 Q C -1.326 174.202 176.000 -0.787 0.000 0.963 158 Q CA -1.202 54.229 55.803 -0.621 0.000 0.783 158 Q CB 1.053 29.560 28.738 -0.386 0.000 1.467 158 Q HN 0.144 nan 8.270 nan 0.000 0.402 159 Q N 1.190 120.194 119.800 -1.327 0.000 2.274 159 Q HA 0.073 4.415 4.340 0.003 0.000 0.280 159 Q C -0.175 175.563 176.000 -0.437 0.000 1.047 159 Q CA 0.506 55.742 55.803 -0.944 0.000 0.907 159 Q CB 0.529 28.739 28.738 -0.880 0.000 1.171 159 Q HN 0.788 nan 8.270 nan 0.000 0.381 160 M N 2.573 122.006 119.600 -0.278 0.000 2.333 160 M HA 0.102 4.584 4.480 0.003 0.000 0.257 160 M C -0.221 175.959 176.300 -0.201 0.000 1.078 160 M CA -0.120 55.064 55.300 -0.193 0.000 1.005 160 M CB 0.163 32.688 32.600 -0.124 0.000 1.444 160 M HN 0.553 nan 8.290 nan 0.000 0.496 161 N N -0.149 118.381 118.700 -0.283 0.000 2.518 161 N HA 0.216 4.957 4.740 0.003 0.000 0.284 161 N C -0.316 175.078 175.510 -0.194 0.000 1.230 161 N CA -0.619 52.233 53.050 -0.330 0.000 0.941 161 N CB 0.403 38.406 38.487 -0.807 0.000 1.219 161 N HN -0.059 nan 8.380 nan 0.000 0.560 162 D N -2.298 118.091 120.400 -0.018 0.000 2.424 162 D HA 0.095 4.737 4.640 0.003 0.000 0.220 162 D C -0.785 175.674 176.300 0.264 0.000 1.150 162 D CA -0.563 53.495 54.000 0.096 0.000 0.831 162 D CB -0.332 40.527 40.800 0.099 0.000 0.981 162 D HN 0.366 nan 8.370 nan 0.000 0.500 163 W N 1.067 122.362 121.300 -0.010 0.000 2.126 163 W HA 0.326 4.988 4.660 0.004 0.000 0.346 163 W C 0.739 177.262 176.519 0.005 0.000 1.279 163 W CA -1.023 56.326 57.345 0.006 0.000 1.259 163 W CB -0.017 29.459 29.460 0.027 0.000 1.133 163 W HN -0.112 nan 8.180 nan 0.000 0.592 164 D N 2.038 122.588 120.400 0.250 0.000 2.494 164 D HA 0.136 4.777 4.640 0.003 0.000 0.217 164 D C 1.212 177.621 176.300 0.182 0.000 1.153 164 D CA 0.037 54.126 54.000 0.149 0.000 0.954 164 D CB 0.135 40.987 40.800 0.086 0.000 1.034 164 D HN 0.274 nan 8.370 nan 0.000 0.518 165 L N 1.999 123.342 121.223 0.200 0.000 2.012 165 L HA -0.172 4.170 4.340 0.003 0.000 0.210 165 L C 2.034 179.000 176.870 0.161 0.000 1.073 165 L CA 1.169 56.136 54.840 0.211 0.000 0.748 165 L CB -0.251 41.931 42.059 0.204 0.000 0.891 165 L HN 0.378 nan 8.230 nan 0.000 0.431 166 E N -0.235 120.053 120.200 0.147 0.000 2.265 166 E HA -0.201 4.150 4.350 0.003 0.000 0.196 166 E C 1.263 177.922 176.600 0.098 0.000 0.996 166 E CA 0.783 57.279 56.400 0.159 0.000 0.832 166 E CB -0.088 29.737 29.700 0.208 0.000 0.756 166 E HN 0.337 nan 8.360 nan 0.000 0.491 167 N N 0.062 118.805 118.700 0.071 0.000 2.230 167 N HA 0.070 4.811 4.740 0.003 0.000 0.202 167 N C -0.226 175.325 175.510 0.068 0.000 1.119 167 N CA -0.042 53.036 53.050 0.046 0.000 0.851 167 N CB 0.339 38.868 38.487 0.069 0.000 0.990 167 N HN -0.001 nan 8.380 nan 0.000 0.497 168 L N 0.510 121.775 121.223 0.071 0.000 2.452 168 L HA 0.189 4.530 4.340 0.003 0.000 0.267 168 L C -0.484 176.382 176.870 -0.006 0.000 1.188 168 L CA 0.032 54.940 54.840 0.114 0.000 0.821 168 L CB 0.328 42.480 42.059 0.155 0.000 1.102 168 L HN 0.003 nan 8.230 nan 0.000 0.470 169 F N 0.702 120.581 119.950 -0.118 0.000 2.482 169 F HA 0.230 4.758 4.527 0.001 0.000 0.331 169 F C 0.374 176.145 175.800 -0.049 0.000 1.115 169 F CA -0.367 57.511 58.000 -0.203 0.000 0.955 169 F CB 1.974 40.647 39.000 -0.545 0.000 1.136 169 F HN 0.210 nan 8.300 nan 0.000 0.452 170 S N 3.601 119.388 115.700 0.146 0.000 2.423 170 S HA 0.635 5.106 4.470 0.003 0.000 0.317 170 S C -0.987 173.716 174.600 0.172 0.000 1.065 170 S CA -0.497 57.801 58.200 0.164 0.000 1.111 170 S CB 0.091 63.391 63.200 0.166 0.000 0.968 170 S HN 0.353 nan 8.310 nan 0.000 0.474 171 V N 5.518 125.511 119.914 0.132 0.000 2.398 171 V HA 0.364 4.486 4.120 0.003 0.000 0.286 171 V C 0.550 176.673 176.094 0.047 0.000 1.026 171 V CA -0.784 61.566 62.300 0.084 0.000 0.868 171 V CB 1.526 33.409 31.823 0.099 0.000 0.982 171 V HN 0.830 nan 8.190 nan 0.000 0.443 172 T N 6.866 121.424 114.554 0.006 0.000 2.834 172 T HA 0.356 4.708 4.350 0.003 0.000 0.298 172 T C 0.163 174.818 174.700 -0.076 0.000 0.966 172 T CA 0.108 62.182 62.100 -0.043 0.000 1.141 172 T CB 0.043 68.852 68.868 -0.098 0.000 0.905 172 T HN 0.410 nan 8.240 nan 0.000 0.535 173 L N 4.629 125.814 121.223 -0.064 0.000 2.417 173 L HA 0.370 4.711 4.340 0.003 0.000 0.258 173 L C 1.869 178.673 176.870 -0.111 0.000 1.088 173 L CA -0.624 54.184 54.840 -0.054 0.000 0.975 173 L CB 0.191 42.242 42.059 -0.013 0.000 1.341 173 L HN 0.675 nan 8.230 nan 0.000 0.431 174 R N 1.139 121.541 120.500 -0.163 0.000 2.196 174 R HA -0.240 4.102 4.340 0.003 0.000 0.234 174 R C 0.950 177.030 176.300 -0.367 0.000 1.113 174 R CA 2.680 58.622 56.100 -0.262 0.000 0.899 174 R CB 0.120 30.268 30.300 -0.253 0.000 0.863 174 R HN 0.564 nan 8.270 nan 0.000 0.430 175 D N -0.727 119.569 120.400 -0.173 0.000 2.350 175 D HA -0.044 4.598 4.640 0.003 0.000 0.216 175 D C 1.118 177.427 176.300 0.014 0.000 0.968 175 D CA 1.094 55.051 54.000 -0.073 0.000 0.894 175 D CB 0.092 40.996 40.800 0.172 0.000 0.909 175 D HN 0.442 nan 8.370 nan 0.000 0.520 176 A N -0.218 122.578 122.820 -0.039 0.000 2.238 176 A HA 0.441 4.763 4.320 0.003 0.000 0.210 176 A C 1.733 179.320 177.584 0.005 0.000 1.179 176 A CA 0.638 52.691 52.037 0.027 0.000 0.827 176 A CB -0.248 18.769 19.000 0.028 0.000 0.856 176 A HN 0.181 nan 8.150 nan 0.000 0.488 177 G N -0.538 108.188 108.800 -0.124 0.000 2.295 177 G HA2 -0.227 3.735 3.960 0.003 0.000 0.287 177 G HA3 -0.227 3.735 3.960 0.003 0.000 0.287 177 G C -0.144 174.741 174.900 -0.024 0.000 1.055 177 G CA 0.704 45.753 45.100 -0.086 0.000 0.922 177 G HN 0.682 nan 8.290 nan 0.000 0.503 178 Q N -1.402 118.376 119.800 -0.037 0.000 2.553 178 Q HA 0.784 5.126 4.340 0.003 0.000 0.293 178 Q C 0.057 176.055 176.000 -0.004 0.000 1.038 178 Q CA -0.931 54.871 55.803 -0.002 0.000 0.777 178 Q CB 2.306 31.054 28.738 0.017 0.000 1.487 178 Q HN 0.758 nan 8.270 nan 0.000 0.426 179 I N -2.477 118.107 120.570 0.023 0.000 2.730 179 I HA 0.948 5.119 4.170 0.003 0.000 0.298 179 I C -1.294 174.857 176.117 0.057 0.000 1.089 179 I CA -1.151 60.172 61.300 0.038 0.000 1.041 179 I CB 2.223 40.255 38.000 0.053 0.000 1.235 179 I HN 0.566 nan 8.210 nan 0.000 0.423 180 A N 6.229 129.090 122.820 0.067 0.000 2.318 180 A HA 0.789 5.111 4.320 0.003 0.000 0.324 180 A C -0.771 176.871 177.584 0.096 0.000 1.170 180 A CA -0.646 51.436 52.037 0.074 0.000 0.810 180 A CB 1.081 20.123 19.000 0.070 0.000 1.198 180 A HN 0.759 nan 8.150 nan 0.000 0.484 181 L N 3.826 125.101 121.223 0.086 0.000 2.255 181 L HA 0.457 4.799 4.340 0.003 0.000 0.289 181 L C -0.718 176.170 176.870 0.029 0.000 1.046 181 L CA -0.012 54.885 54.840 0.094 0.000 0.816 181 L CB 0.617 42.763 42.059 0.145 0.000 1.197 181 L HN 0.565 nan 8.230 nan 0.000 0.427 182 I N 2.272 122.905 120.570 0.104 0.000 2.433 182 I HA 0.216 4.388 4.170 0.003 0.000 0.292 182 I C 0.050 176.254 176.117 0.145 0.000 1.001 182 I CA -0.707 60.668 61.300 0.125 0.000 1.119 182 I CB 2.174 40.341 38.000 0.279 0.000 1.289 182 I HN 0.509 nan 8.210 nan 0.000 0.438 183 D N 4.743 125.167 120.400 0.041 0.000 2.434 183 D HA 0.006 4.648 4.640 0.003 0.000 0.252 183 D C 1.169 177.556 176.300 0.145 0.000 1.185 183 D CA 0.309 54.321 54.000 0.020 0.000 0.886 183 D CB 1.755 42.488 40.800 -0.111 0.000 1.148 183 D HN 0.813 nan 8.370 nan 0.000 0.483 184 G N 2.443 111.376 108.800 0.222 0.000 2.559 184 G HA2 -0.188 3.774 3.960 0.003 0.000 0.216 184 G HA3 -0.188 3.774 3.960 0.003 0.000 0.216 184 G C 1.339 176.323 174.900 0.141 0.000 1.126 184 G CA 0.940 46.254 45.100 0.355 0.000 0.778 184 G HN 0.539 nan 8.290 nan 0.000 0.543 185 S N -0.535 115.085 115.700 -0.132 0.000 2.545 185 S HA -0.028 4.443 4.470 0.003 0.000 0.232 185 S C 2.160 176.287 174.600 -0.788 0.000 1.070 185 S CA 1.208 59.204 58.200 -0.340 0.000 0.923 185 S CB -0.172 62.936 63.200 -0.154 0.000 0.806 185 S HN 0.343 nan 8.310 nan 0.000 0.506 186 T N -2.637 111.552 114.554 -0.609 0.000 3.057 186 T HA 0.161 4.512 4.350 0.003 0.000 0.254 186 T C 0.430 174.761 174.700 -0.614 0.000 1.094 186 T CA 0.413 62.172 62.100 -0.569 0.000 1.088 186 T CB -0.742 67.968 68.868 -0.264 0.000 0.934 186 T HN 0.382 nan 8.240 nan 0.000 0.497 187 Y N 0.714 120.943 120.300 -0.119 0.000 4.798 187 Y HA -0.181 4.368 4.550 -0.001 0.000 0.237 187 Y C 0.099 175.945 175.900 -0.090 0.000 1.017 187 Y CA -0.264 57.746 58.100 -0.149 0.000 2.010 187 Y CB -2.988 35.208 38.460 -0.441 0.000 1.582 187 Y HN 0.489 nan 8.280 nan 0.000 0.621 188 E N 1.094 121.277 120.200 -0.028 0.000 2.338 188 E HA 0.407 4.759 4.350 0.003 0.000 0.272 188 E C 0.227 176.796 176.600 -0.051 0.000 1.029 188 E CA -0.547 55.827 56.400 -0.043 0.000 0.872 188 E CB 0.888 30.528 29.700 -0.100 0.000 1.015 188 E HN 0.247 nan 8.360 nan 0.000 0.417 189 I N 4.580 125.131 120.570 -0.032 0.000 2.406 189 I HA -0.043 4.128 4.170 0.003 0.000 0.293 189 I C 1.307 177.348 176.117 -0.127 0.000 1.101 189 I CA -0.186 61.090 61.300 -0.040 0.000 1.334 189 I CB 0.406 38.407 38.000 0.001 0.000 1.421 189 I HN 0.367 nan 8.210 nan 0.000 0.513 190 K N 3.134 123.378 120.400 -0.260 0.000 2.155 190 K HA 0.045 4.367 4.320 0.003 0.000 0.203 190 K C 0.782 177.238 176.600 -0.239 0.000 1.052 190 K CA 0.694 56.682 56.287 -0.497 0.000 0.948 190 K CB -0.012 31.732 32.500 -1.260 0.000 0.728 190 K HN 0.669 nan 8.250 nan 0.000 0.448 191 T N -0.824 113.677 114.554 -0.088 0.000 2.907 191 T HA 0.320 4.672 4.350 0.003 0.000 0.344 191 T C -1.988 172.751 174.700 0.066 0.000 1.675 191 T CA -0.680 61.455 62.100 0.060 0.000 1.076 191 T CB 1.323 70.325 68.868 0.223 0.000 1.483 191 T HN -0.242 nan 8.240 nan 0.000 0.487 192 V N 4.791 124.748 119.914 0.070 0.000 2.444 192 V HA 0.600 4.722 4.120 0.003 0.000 0.294 192 V C -0.383 175.752 176.094 0.068 0.000 1.022 192 V CA -0.678 61.659 62.300 0.062 0.000 0.850 192 V CB 1.361 33.212 31.823 0.047 0.000 0.992 192 V HN 0.764 nan 8.190 nan 0.000 0.426 193 L N 3.630 124.894 121.223 0.068 0.000 2.334 193 L HA 0.606 4.948 4.340 0.003 0.000 0.276 193 L C -0.448 176.450 176.870 0.046 0.000 1.014 193 L CA -0.662 54.215 54.840 0.062 0.000 0.815 193 L CB 2.098 44.200 42.059 0.072 0.000 1.268 193 L HN 0.535 nan 8.230 nan 0.000 0.428 194 D N -0.115 120.309 120.400 0.041 0.000 2.264 194 D HA 0.355 4.997 4.640 0.003 0.000 0.249 194 D C 0.641 176.964 176.300 0.040 0.000 1.070 194 D CA 0.159 54.181 54.000 0.038 0.000 0.912 194 D CB 1.595 42.417 40.800 0.037 0.000 1.193 194 D HN 0.719 nan 8.370 nan 0.000 0.427 195 T N -1.771 112.808 114.554 0.040 0.000 3.029 195 T HA 0.475 4.827 4.350 0.003 0.000 0.256 195 T C 1.132 175.868 174.700 0.060 0.000 0.914 195 T CA 0.347 62.474 62.100 0.046 0.000 0.880 195 T CB 0.690 69.576 68.868 0.030 0.000 1.246 195 T HN 0.573 nan 8.240 nan 0.000 0.523 196 G N 1.037 109.879 108.800 0.070 0.000 2.134 196 G HA2 0.032 3.993 3.960 0.003 0.000 0.225 196 G HA3 0.032 3.993 3.960 0.003 0.000 0.225 196 G C -1.148 173.860 174.900 0.179 0.000 1.944 196 G CA -0.259 44.909 45.100 0.113 0.000 1.512 196 G HN 0.619 nan 8.290 nan 0.000 0.493 197 Y N 1.301 121.609 120.300 0.013 0.000 2.433 197 Y HA 0.584 5.136 4.550 0.004 0.000 0.337 197 Y C 0.297 176.185 175.900 -0.021 0.000 1.026 197 Y CA 0.348 58.448 58.100 -0.001 0.000 1.037 197 Y CB 1.921 40.383 38.460 0.002 0.000 1.245 197 Y HN 2.204 nan 8.280 nan 0.000 0.443 198 A N 3.421 125.751 122.820 -0.817 0.000 1.732 198 A HA -0.123 4.199 4.320 0.003 0.000 0.232 198 A C -0.646 176.809 177.584 -0.215 0.000 1.265 198 A CA 0.859 52.561 52.037 -0.559 0.000 0.721 198 A CB -1.903 16.739 19.000 -0.595 0.000 1.192 198 A HN 0.683 nan 8.150 nan 0.000 0.250 199 V N 3.807 123.623 119.914 -0.163 0.000 2.572 199 V HA 0.126 4.248 4.120 0.003 0.000 0.291 199 V C 1.615 177.673 176.094 -0.059 0.000 1.039 199 V CA 0.898 63.157 62.300 -0.068 0.000 1.055 199 V CB 1.181 32.976 31.823 -0.046 0.000 0.969 199 V HN 0.947 nan 8.190 nan 0.000 0.482 200 H N 4.682 123.704 119.070 -0.080 0.000 2.370 200 H HA 0.345 4.903 4.556 0.004 0.000 0.304 200 H C 0.454 175.790 175.328 0.013 0.000 1.055 200 H CA 1.515 57.534 56.048 -0.049 0.000 1.373 200 H CB 0.406 30.134 29.762 -0.058 0.000 1.423 200 H HN 0.661 nan 8.280 nan 0.000 0.533 201 I N -3.266 117.306 120.570 0.004 0.000 3.093 201 I HA 0.517 4.689 4.170 0.003 0.000 0.308 201 I C -1.090 174.877 176.117 -0.249 0.000 1.303 201 I CA -1.031 60.180 61.300 -0.149 0.000 0.975 201 I CB 2.666 40.501 38.000 -0.275 0.000 1.286 201 I HN -0.243 nan 8.210 nan 0.000 0.459 202 S N 2.302 117.660 115.700 -0.570 0.000 2.503 202 S HA 0.740 5.212 4.470 0.003 0.000 0.301 202 S C -0.674 173.635 174.600 -0.485 0.000 1.087 202 S CA -0.810 57.196 58.200 -0.323 0.000 1.042 202 S CB 1.405 64.578 63.200 -0.045 0.000 1.043 202 S HN 0.460 nan 8.310 nan 0.000 0.489 203 R N 1.609 122.006 120.500 -0.172 0.000 2.725 203 R HA 0.534 4.875 4.340 0.003 0.000 0.277 203 R C -1.543 174.804 176.300 0.078 0.000 0.987 203 R CA -0.762 55.273 56.100 -0.108 0.000 0.901 203 R CB 1.305 31.529 30.300 -0.126 0.000 1.207 203 R HN 0.426 nan 8.270 nan 0.000 0.463 204 L N 1.262 122.528 121.223 0.071 0.000 2.330 204 L HA 0.439 4.781 4.340 0.003 0.000 0.271 204 L C 0.901 177.859 176.870 0.147 0.000 1.013 204 L CA -0.460 54.463 54.840 0.137 0.000 0.816 204 L CB 1.861 43.958 42.059 0.064 0.000 1.287 204 L HN 0.800 nan 8.230 nan 0.000 0.435 205 S N 0.793 116.633 115.700 0.234 0.000 2.589 205 S HA 0.251 4.723 4.470 0.003 0.000 0.265 205 S C 1.241 175.873 174.600 0.052 0.000 1.342 205 S CA 0.095 58.405 58.200 0.183 0.000 1.005 205 S CB 1.010 64.390 63.200 0.299 0.000 0.909 205 S HN 0.711 nan 8.310 nan 0.000 0.555 206 A N 1.485 124.310 122.820 0.009 0.000 2.024 206 A HA -0.048 4.274 4.320 0.003 0.000 0.220 206 A C 2.376 179.939 177.584 -0.036 0.000 1.164 206 A CA 1.780 53.792 52.037 -0.040 0.000 0.643 206 A CB -1.415 17.549 19.000 -0.060 0.000 0.806 206 A HN 1.330 nan 8.150 nan 0.000 0.451 207 S N -2.212 113.474 115.700 -0.023 0.000 2.496 207 S HA 0.342 4.814 4.470 0.003 0.000 0.224 207 S C 1.553 176.142 174.600 -0.018 0.000 0.996 207 S CA 1.162 59.345 58.200 -0.029 0.000 0.927 207 S CB -0.279 62.876 63.200 -0.077 0.000 0.774 207 S HN 1.906 nan 8.310 nan 0.000 0.524 208 G N 1.787 110.572 108.800 -0.025 0.000 2.179 208 G HA2 -0.348 3.614 3.960 0.003 0.000 0.260 208 G HA3 -0.348 3.614 3.960 0.003 0.000 0.260 208 G C 0.856 175.714 174.900 -0.070 0.000 0.977 208 G CA 0.461 45.560 45.100 -0.002 0.000 0.641 208 G HN 0.590 nan 8.290 nan 0.000 0.533 209 R N -0.844 119.492 120.500 -0.273 0.000 2.075 209 R HA 0.166 4.508 4.340 0.003 0.000 0.226 209 R C 0.210 176.115 176.300 -0.659 0.000 1.114 209 R CA 0.787 56.467 56.100 -0.700 0.000 0.972 209 R CB -0.009 29.419 30.300 -1.455 0.000 0.869 209 R HN 0.366 nan 8.270 nan 0.000 0.437 210 Y N 0.612 120.784 120.300 -0.214 0.000 2.331 210 Y HA 0.315 4.867 4.550 0.004 0.000 0.338 210 Y C -0.452 175.327 175.900 -0.201 0.000 0.992 210 Y CA -1.238 56.707 58.100 -0.258 0.000 1.121 210 Y CB 1.589 39.864 38.460 -0.308 0.000 1.184 210 Y HN -0.019 nan 8.280 nan 0.000 0.469 211 L N 4.833 125.988 121.223 -0.113 0.000 2.272 211 L HA 0.620 4.962 4.340 0.003 0.000 0.289 211 L C -1.744 174.983 176.870 -0.238 0.000 1.032 211 L CA -0.554 54.249 54.840 -0.061 0.000 0.810 211 L CB -0.033 42.024 42.059 -0.004 0.000 1.205 211 L HN 0.367 nan 8.230 nan 0.000 0.422 212 F N 5.067 125.016 119.950 -0.002 0.000 2.458 212 F HA 0.681 5.210 4.527 0.003 0.000 0.336 212 F C 0.014 175.783 175.800 -0.052 0.000 1.114 212 F CA -0.699 57.284 58.000 -0.029 0.000 0.987 212 F CB 2.038 41.004 39.000 -0.058 0.000 1.130 212 F HN 0.399 nan 8.300 nan 0.000 0.458 213 V N 1.910 121.892 119.914 0.114 0.000 2.735 213 V HA 0.751 4.873 4.120 0.003 0.000 0.310 213 V C -1.247 174.872 176.094 0.041 0.000 1.061 213 V CA -0.937 61.390 62.300 0.047 0.000 0.913 213 V CB 1.931 33.772 31.823 0.029 0.000 1.005 213 V HN 0.664 nan 8.190 nan 0.000 0.428 214 I N 3.463 124.038 120.570 0.008 0.000 2.436 214 I HA 0.879 5.051 4.170 0.003 0.000 0.289 214 I C 0.540 176.655 176.117 -0.003 0.000 1.010 214 I CA 0.104 61.401 61.300 -0.005 0.000 1.098 214 I CB 1.422 39.398 38.000 -0.039 0.000 1.266 214 I HN 1.030 nan 8.210 nan 0.000 0.434 215 G N 5.836 114.632 108.800 -0.006 0.000 2.476 215 G HA2 0.317 4.279 3.960 0.003 0.000 0.286 215 G HA3 0.317 4.279 3.960 0.003 0.000 0.286 215 G C 0.421 175.308 174.900 -0.022 0.000 1.177 215 G CA -0.634 44.463 45.100 -0.006 0.000 0.870 215 G HN 0.736 nan 8.290 nan 0.000 0.528 216 R N -0.131 120.361 120.500 -0.014 0.000 2.193 216 R HA -0.084 4.257 4.340 0.003 0.000 0.229 216 R C 1.299 177.580 176.300 -0.033 0.000 1.110 216 R CA 1.452 57.523 56.100 -0.049 0.000 0.988 216 R CB 0.117 30.402 30.300 -0.025 0.000 0.871 216 R HN 0.680 nan 8.270 nan 0.000 0.458 217 D N -0.999 119.406 120.400 0.009 0.000 2.328 217 D HA 0.049 4.690 4.640 0.003 0.000 0.226 217 D C 1.064 177.330 176.300 -0.057 0.000 1.066 217 D CA 0.677 54.680 54.000 0.005 0.000 0.861 217 D CB 0.268 41.096 40.800 0.046 0.000 0.912 217 D HN 0.246 nan 8.370 nan 0.000 0.521 218 G N 0.390 109.144 108.800 -0.078 0.000 2.175 218 G HA2 -0.307 3.654 3.960 0.003 0.000 0.244 218 G HA3 -0.307 3.654 3.960 0.003 0.000 0.244 218 G C 0.147 174.995 174.900 -0.086 0.000 0.982 218 G CA 0.100 45.127 45.100 -0.121 0.000 0.641 218 G HN 0.588 nan 8.290 nan 0.000 0.527 219 K N 0.668 121.049 120.400 -0.032 0.000 2.276 219 K HA 0.571 4.893 4.320 0.003 0.000 0.283 219 K C -0.132 176.482 176.600 0.024 0.000 1.044 219 K CA -0.462 55.833 56.287 0.012 0.000 0.944 219 K CB 0.995 33.521 32.500 0.043 0.000 1.012 219 K HN 0.028 nan 8.250 nan 0.000 0.472 220 V N 4.738 124.680 119.914 0.046 0.000 2.459 220 V HA 0.305 4.426 4.120 0.003 0.000 0.295 220 V C -0.347 175.799 176.094 0.087 0.000 1.029 220 V CA -0.907 61.432 62.300 0.065 0.000 0.874 220 V CB 1.634 33.501 31.823 0.074 0.000 0.985 220 V HN 0.854 nan 8.190 nan 0.000 0.438 221 N N 4.298 123.044 118.700 0.077 0.000 2.284 221 N HA 0.559 5.301 4.740 0.003 0.000 0.300 221 N C -1.077 174.427 175.510 -0.010 0.000 1.047 221 N CA -0.576 52.507 53.050 0.055 0.000 0.821 221 N CB 2.528 41.045 38.487 0.052 0.000 1.337 221 N HN 0.594 nan 8.380 nan 0.000 0.482 222 M N 3.725 123.275 119.600 -0.084 0.000 2.227 222 M HA 0.490 4.971 4.480 0.003 0.000 0.335 222 M C -1.619 174.557 176.300 -0.208 0.000 1.053 222 M CA -0.527 54.568 55.300 -0.342 0.000 0.973 222 M CB 0.919 33.292 32.600 -0.378 0.000 1.623 222 M HN 0.458 nan 8.290 nan 0.000 0.434 223 I N 3.659 124.102 120.570 -0.211 0.000 2.433 223 I HA 0.278 4.450 4.170 0.003 0.000 0.292 223 I C -0.707 175.418 176.117 0.014 0.000 1.001 223 I CA -0.662 60.604 61.300 -0.056 0.000 1.119 223 I CB 1.853 39.840 38.000 -0.021 0.000 1.289 223 I HN 0.561 nan 8.210 nan 0.000 0.438 224 D N 6.509 126.944 120.400 0.058 0.000 2.380 224 D HA 0.238 4.879 4.640 0.003 0.000 0.230 224 D C 0.724 176.984 176.300 -0.066 0.000 1.154 224 D CA -0.083 53.930 54.000 0.022 0.000 0.859 224 D CB 1.107 41.966 40.800 0.097 0.000 1.045 224 D HN 0.440 nan 8.370 nan 0.000 0.495 225 L N 2.788 123.937 121.223 -0.124 0.000 2.551 225 L HA -0.010 4.332 4.340 0.003 0.000 0.228 225 L C 1.219 178.116 176.870 0.045 0.000 1.153 225 L CA 0.167 54.983 54.840 -0.041 0.000 0.851 225 L CB -0.034 42.040 42.059 0.025 0.000 0.959 225 L HN 0.488 nan 8.230 nan 0.000 0.451 226 W N -0.354 120.795 121.300 -0.253 0.000 2.770 226 W HA 0.130 4.791 4.660 0.003 0.000 0.256 226 W C 1.115 177.496 176.519 -0.229 0.000 1.291 226 W CA -0.728 56.474 57.345 -0.238 0.000 1.396 226 W CB -0.413 28.918 29.460 -0.214 0.000 1.114 226 W HN 0.018 nan 8.180 nan 0.000 0.637 227 M N 0.779 120.376 119.600 -0.006 0.000 2.245 227 M HA -0.025 4.457 4.480 0.003 0.000 0.330 227 M C 1.947 178.136 176.300 -0.184 0.000 1.098 227 M CA 0.380 55.641 55.300 -0.065 0.000 1.172 227 M CB 0.772 33.348 32.600 -0.041 0.000 1.467 227 M HN -0.181 nan 8.290 nan 0.000 0.454 228 K N 1.606 121.922 120.400 -0.140 0.000 2.074 228 K HA -0.128 4.194 4.320 0.003 0.000 0.209 228 K C -0.151 176.340 176.600 -0.181 0.000 1.048 228 K CA 1.520 57.710 56.287 -0.161 0.000 0.926 228 K CB 0.283 32.736 32.500 -0.078 0.000 0.713 228 K HN 0.610 nan 8.250 nan 0.000 0.444 229 E N 1.280 121.414 120.200 -0.110 0.000 2.437 229 E HA 0.228 4.580 4.350 0.003 0.000 0.238 229 E C -2.557 174.010 176.600 -0.055 0.000 0.969 229 E CA -2.259 54.113 56.400 -0.046 0.000 0.759 229 E CB 1.807 31.521 29.700 0.023 0.000 1.283 229 E HN 0.125 nan 8.360 nan 0.000 0.416 230 P HA -0.053 nan 4.420 nan 0.000 0.264 230 P C -0.351 176.969 177.300 0.034 0.000 1.183 230 P CA 0.485 63.550 63.100 -0.057 0.000 0.763 230 P CB 0.873 32.527 31.700 -0.077 0.000 0.807 231 T N 1.099 115.670 114.554 0.030 0.000 2.711 231 T HA 0.316 4.667 4.350 0.003 0.000 0.302 231 T C -0.951 173.775 174.700 0.044 0.000 1.373 231 T CA -0.507 61.617 62.100 0.041 0.000 1.000 231 T CB 0.567 69.452 68.868 0.027 0.000 1.483 231 T HN 0.109 nan 8.240 nan 0.000 0.499 232 T N 2.347 116.934 114.554 0.055 0.000 2.784 232 T HA 0.249 4.600 4.350 0.003 0.000 0.291 232 T C 1.685 176.478 174.700 0.156 0.000 0.942 232 T CA 0.270 62.426 62.100 0.094 0.000 1.161 232 T CB 0.408 69.357 68.868 0.135 0.000 0.885 232 T HN 0.625 nan 8.240 nan 0.000 0.534 233 V N 1.042 121.008 119.914 0.087 0.000 3.354 233 V HA 0.666 4.788 4.120 0.003 0.000 0.258 233 V C 0.674 176.766 176.094 -0.003 0.000 1.159 233 V CA 0.453 62.795 62.300 0.070 0.000 1.125 233 V CB -0.710 31.129 31.823 0.027 0.000 0.774 233 V HN 0.916 nan 8.190 nan 0.000 0.464 234 A N 0.683 123.486 122.820 -0.028 0.000 2.594 234 A HA 0.762 5.084 4.320 0.003 0.000 0.296 234 A C -0.900 176.672 177.584 -0.018 0.000 1.061 234 A CA -0.252 51.717 52.037 -0.115 0.000 0.689 234 A CB 1.460 20.452 19.000 -0.014 0.000 1.280 234 A HN 0.669 nan 8.150 nan 0.000 0.406 235 E N 0.812 121.002 120.200 -0.016 0.000 2.413 235 E HA 0.862 5.214 4.350 0.003 0.000 0.277 235 E C -1.318 175.392 176.600 0.183 0.000 0.958 235 E CA -0.775 55.683 56.400 0.097 0.000 0.779 235 E CB 2.256 32.036 29.700 0.133 0.000 1.278 235 E HN 1.002 nan 8.360 nan 0.000 0.456 236 I N 0.092 120.767 120.570 0.175 0.000 2.842 236 I HA 0.341 4.512 4.170 0.003 0.000 0.296 236 I C -2.055 174.145 176.117 0.139 0.000 1.538 236 I CA -0.757 60.664 61.300 0.202 0.000 0.994 236 I CB 2.227 40.341 38.000 0.191 0.000 1.372 236 I HN 0.668 nan 8.210 nan 0.000 0.478 237 K N 5.427 125.929 120.400 0.170 0.000 2.206 237 K HA 0.507 4.829 4.320 0.003 0.000 0.264 237 K C -0.008 176.649 176.600 0.094 0.000 0.967 237 K CA -0.501 55.836 56.287 0.082 0.000 0.844 237 K CB 1.273 33.845 32.500 0.120 0.000 1.099 237 K HN 0.583 nan 8.250 nan 0.000 0.441 238 I N -0.054 120.464 120.570 -0.086 0.000 4.154 238 I HA 0.471 4.643 4.170 0.003 0.000 0.334 238 I C 0.306 176.302 176.117 -0.202 0.000 1.371 238 I CA -0.245 61.030 61.300 -0.041 0.000 1.110 238 I CB 1.137 39.115 38.000 -0.038 0.000 1.085 238 I HN 0.638 nan 8.210 nan 0.000 0.398 239 G N -0.146 108.294 108.800 -0.600 0.000 2.341 239 G HA2 0.345 4.306 3.960 0.003 0.000 0.299 239 G HA3 0.345 4.306 3.960 0.003 0.000 0.299 239 G C -0.364 174.199 174.900 -0.561 0.000 1.274 239 G CA 0.140 44.905 45.100 -0.558 0.000 0.853 239 G HN -0.144 nan 8.290 nan 0.000 0.493 240 S N -0.373 115.218 115.700 -0.183 0.000 2.497 240 S HA 0.331 4.802 4.470 0.003 0.000 0.221 240 S C 0.051 174.668 174.600 0.029 0.000 1.037 240 S CA 0.403 58.586 58.200 -0.027 0.000 0.920 240 S CB 0.368 63.687 63.200 0.198 0.000 0.800 240 S HN 0.442 nan 8.310 nan 0.000 0.505 241 E N 0.667 120.900 120.200 0.054 0.000 2.274 241 E HA 0.699 5.051 4.350 0.003 0.000 0.269 241 E C -1.133 175.426 176.600 -0.067 0.000 0.891 241 E CA -0.242 56.181 56.400 0.040 0.000 0.784 241 E CB 2.041 31.849 29.700 0.180 0.000 1.225 241 E HN 0.236 nan 8.360 nan 0.000 0.412 242 A N 2.512 125.212 122.820 -0.200 0.000 2.572 242 A HA 0.754 5.075 4.320 0.003 0.000 0.295 242 A C 0.002 177.336 177.584 -0.417 0.000 1.072 242 A CA -0.554 51.308 52.037 -0.293 0.000 0.691 242 A CB 1.451 20.345 19.000 -0.177 0.000 1.291 242 A HN 0.413 nan 8.150 nan 0.000 0.404 243 R N -0.136 120.081 120.500 -0.470 0.000 2.582 243 R HA 0.196 4.537 4.340 0.003 0.000 0.285 243 R C 0.037 176.213 176.300 -0.206 0.000 0.940 243 R CA 0.933 56.763 56.100 -0.451 0.000 1.072 243 R CB 0.332 30.206 30.300 -0.711 0.000 1.527 243 R HN 0.882 nan 8.270 nan 0.000 0.538 244 S N 0.022 115.614 115.700 -0.181 0.000 2.568 244 S HA 0.794 5.266 4.470 0.003 0.000 0.293 244 S C -0.361 174.147 174.600 -0.154 0.000 1.089 244 S CA -0.719 57.401 58.200 -0.133 0.000 0.945 244 S CB 2.533 65.659 63.200 -0.124 0.000 1.077 244 S HN 0.153 nan 8.310 nan 0.000 0.485 245 I N 0.490 120.958 120.570 -0.170 0.000 2.908 245 I HA 0.752 4.923 4.170 0.003 0.000 0.300 245 I C -2.009 173.955 176.117 -0.254 0.000 1.385 245 I CA -0.235 60.932 61.300 -0.220 0.000 1.004 245 I CB 2.206 40.109 38.000 -0.162 0.000 1.309 245 I HN 0.925 nan 8.210 nan 0.000 0.449 246 E N 2.746 122.733 120.200 -0.355 0.000 2.423 246 E HA 0.586 4.938 4.350 0.003 0.000 0.280 246 E C -1.573 174.805 176.600 -0.370 0.000 1.030 246 E CA -0.383 55.836 56.400 -0.301 0.000 0.812 246 E CB 2.001 31.564 29.700 -0.229 0.000 1.313 246 E HN 0.637 nan 8.360 nan 0.000 0.456 247 T N -0.931 113.522 114.554 -0.168 0.000 2.932 247 T HA 0.667 5.019 4.350 0.003 0.000 0.289 247 T C -0.268 174.544 174.700 0.187 0.000 1.039 247 T CA -0.556 61.483 62.100 -0.102 0.000 1.024 247 T CB 1.129 69.903 68.868 -0.156 0.000 1.090 247 T HN 0.558 nan 8.240 nan 0.000 0.496 248 S N 0.879 116.646 115.700 0.113 0.000 2.516 248 S HA 0.273 4.744 4.470 0.003 0.000 0.282 248 S C 0.257 174.817 174.600 -0.067 0.000 1.286 248 S CA -0.728 57.380 58.200 -0.152 0.000 1.066 248 S CB 0.356 63.274 63.200 -0.469 0.000 0.884 248 S HN 0.819 nan 8.310 nan 0.000 0.491 249 K N 0.905 121.249 120.400 -0.094 0.000 2.413 249 K HA 0.227 4.549 4.320 0.003 0.000 0.204 249 K C -0.078 176.382 176.600 -0.233 0.000 1.041 249 K CA -0.341 55.819 56.287 -0.212 0.000 1.082 249 K CB 0.373 32.637 32.500 -0.394 0.000 0.871 249 K HN 0.605 nan 8.250 nan 0.000 0.535 250 M N 2.359 121.935 119.600 -0.040 0.000 2.217 250 M HA 0.058 4.540 4.480 0.003 0.000 0.354 250 M C -0.027 176.342 176.300 0.116 0.000 1.225 250 M CA -0.177 55.130 55.300 0.013 0.000 1.137 250 M CB 0.642 33.258 32.600 0.026 0.000 1.576 250 M HN 0.028 nan 8.290 nan 0.000 0.461 251 E N 3.212 123.437 120.200 0.043 0.000 2.465 251 E HA 0.264 4.616 4.350 0.003 0.000 0.260 251 E C 0.811 177.468 176.600 0.093 0.000 0.980 251 E CA 1.228 57.648 56.400 0.034 0.000 0.927 251 E CB -0.004 29.692 29.700 -0.008 0.000 0.934 251 E HN 0.978 nan 8.360 nan 0.000 0.459 252 G N 3.933 112.731 108.800 -0.004 0.000 2.234 252 G HA2 -0.250 3.712 3.960 0.003 0.000 0.235 252 G HA3 -0.250 3.712 3.960 0.003 0.000 0.235 252 G C 0.060 174.727 174.900 -0.388 0.000 0.997 252 G CA 0.184 45.181 45.100 -0.171 0.000 0.623 252 G HN 0.647 nan 8.290 nan 0.000 0.514 253 W N 1.904 123.190 121.300 -0.024 0.000 2.771 253 W HA 0.638 5.299 4.660 0.002 0.000 0.412 253 W C 0.332 176.798 176.519 -0.088 0.000 0.965 253 W CA -0.574 56.759 57.345 -0.021 0.000 2.045 253 W CB 0.486 30.017 29.460 0.118 0.000 1.176 253 W HN 0.135 nan 8.180 nan 0.000 0.634 254 E N 1.161 121.378 120.200 0.029 0.000 2.465 254 E HA -0.038 4.314 4.350 0.003 0.000 0.260 254 E C 0.743 177.327 176.600 -0.026 0.000 0.980 254 E CA 0.962 57.358 56.400 -0.007 0.000 0.927 254 E CB 0.102 29.785 29.700 -0.029 0.000 0.934 254 E HN 0.063 nan 8.360 nan 0.000 0.459 255 D N 1.381 121.779 120.400 -0.004 0.000 3.059 255 D HA -0.224 4.417 4.640 0.003 0.000 0.213 255 D C 1.029 177.280 176.300 -0.082 0.000 1.144 255 D CA 1.149 55.158 54.000 0.015 0.000 0.975 255 D CB -0.341 40.490 40.800 0.052 0.000 1.125 255 D HN 0.309 nan 8.370 nan 0.000 0.412 256 K N -0.690 119.623 120.400 -0.144 0.000 2.031 256 K HA 0.022 4.344 4.320 0.003 0.000 0.205 256 K C 0.310 176.519 176.600 -0.652 0.000 1.049 256 K CA 1.403 57.468 56.287 -0.371 0.000 0.939 256 K CB 0.216 32.580 32.500 -0.227 0.000 0.717 256 K HN 0.239 nan 8.250 nan 0.000 0.438 257 Y N -1.960 118.271 120.300 -0.114 0.000 2.615 257 Y HA 0.651 5.203 4.550 0.003 0.000 0.341 257 Y C -0.786 175.017 175.900 -0.162 0.000 1.089 257 Y CA -1.359 56.665 58.100 -0.126 0.000 1.049 257 Y CB 1.970 40.341 38.460 -0.148 0.000 1.296 257 Y HN -0.085 nan 8.280 nan 0.000 0.470 258 A N 1.513 124.299 122.820 -0.057 0.000 2.498 258 A HA 0.869 5.191 4.320 0.003 0.000 0.298 258 A C -1.843 175.477 177.584 -0.441 0.000 1.075 258 A CA -0.765 51.014 52.037 -0.430 0.000 0.714 258 A CB 1.681 20.233 19.000 -0.747 0.000 1.299 258 A HN 0.754 nan 8.150 nan 0.000 0.407 259 I N 0.432 120.596 120.570 -0.677 0.000 2.619 259 I HA 0.743 4.915 4.170 0.003 0.000 0.292 259 I C -0.482 175.370 176.117 -0.442 0.000 1.100 259 I CA -0.668 60.244 61.300 -0.647 0.000 1.043 259 I CB 1.951 39.223 38.000 -1.213 0.000 1.239 259 I HN 0.932 nan 8.210 nan 0.000 0.420 260 A N 4.681 127.344 122.820 -0.262 0.000 2.374 260 A HA 0.890 5.212 4.320 0.003 0.000 0.317 260 A C -0.557 176.959 177.584 -0.113 0.000 1.094 260 A CA -0.426 51.500 52.037 -0.185 0.000 0.765 260 A CB 1.593 20.514 19.000 -0.132 0.000 1.268 260 A HN 0.857 nan 8.150 nan 0.000 0.438 261 G N -0.190 108.543 108.800 -0.112 0.000 2.452 261 G HA2 0.748 4.710 3.960 0.003 0.000 0.324 261 G HA3 0.748 4.710 3.960 0.003 0.000 0.324 261 G C -0.457 174.404 174.900 -0.064 0.000 1.214 261 G CA 0.115 45.185 45.100 -0.051 0.000 0.947 261 G HN 1.531 nan 8.290 nan 0.000 0.478 262 A N 0.967 123.779 122.820 -0.013 0.000 2.413 262 A HA 0.700 5.021 4.320 0.003 0.000 0.307 262 A C -0.138 177.538 177.584 0.153 0.000 1.087 262 A CA -0.649 51.380 52.037 -0.013 0.000 0.750 262 A CB 1.216 20.185 19.000 -0.051 0.000 1.296 262 A HN 0.613 nan 8.150 nan 0.000 0.423 263 Y N -0.247 120.055 120.300 0.003 0.000 2.301 263 Y HA 0.132 4.684 4.550 0.003 0.000 0.295 263 Y C 0.644 176.616 175.900 0.120 0.000 1.119 263 Y CA 0.267 58.401 58.100 0.057 0.000 1.162 263 Y CB 0.221 38.726 38.460 0.074 0.000 1.046 263 Y HN 0.669 nan 8.280 nan 0.000 0.538 264 W N 1.899 123.283 121.300 0.139 0.000 2.968 264 W HA 0.323 4.984 4.660 0.003 0.000 0.337 264 W C -3.158 173.382 176.519 0.036 0.000 1.060 264 W CA -2.294 55.091 57.345 0.067 0.000 1.240 264 W CB 2.128 31.608 29.460 0.032 0.000 1.370 264 W HN -0.137 nan 8.180 nan 0.000 0.459 265 P HA 0.176 nan 4.420 nan 0.000 0.272 265 P C -2.556 174.403 177.300 -0.568 0.000 1.240 265 P CA -1.006 61.352 63.100 -1.236 0.000 0.791 265 P CB 0.307 31.556 31.700 -0.751 0.000 0.978 266 P HA 0.089 nan 4.420 nan 0.000 0.268 266 P C -0.773 176.426 177.300 -0.168 0.000 1.485 266 P CA 0.477 63.451 63.100 -0.210 0.000 1.102 266 P CB -0.358 31.240 31.700 -0.169 0.000 1.501 267 Q N 2.652 122.386 119.800 -0.110 0.000 2.687 267 Q HA 0.505 4.846 4.340 0.003 0.000 0.295 267 Q C -1.623 174.363 176.000 -0.024 0.000 0.920 267 Q CA -1.101 54.630 55.803 -0.119 0.000 0.766 267 Q CB 1.203 29.832 28.738 -0.180 0.000 1.467 267 Q HN 0.277 nan 8.270 nan 0.000 0.415 268 Y N -1.697 118.544 120.300 -0.099 0.000 2.545 268 Y HA 0.861 5.413 4.550 0.003 0.000 0.348 268 Y C -1.495 174.330 175.900 -0.124 0.000 1.002 268 Y CA -1.229 56.798 58.100 -0.121 0.000 1.039 268 Y CB 1.919 40.300 38.460 -0.132 0.000 1.271 268 Y HN 0.445 nan 8.280 nan 0.000 0.467 269 V N 4.437 124.371 119.914 0.034 0.000 2.577 269 V HA 0.392 4.514 4.120 0.003 0.000 0.303 269 V C -0.363 175.697 176.094 -0.058 0.000 1.042 269 V CA -0.919 61.347 62.300 -0.057 0.000 0.872 269 V CB 1.662 33.439 31.823 -0.077 0.000 0.998 269 V HN 0.789 nan 8.190 nan 0.000 0.423 270 I N 5.604 126.139 120.570 -0.059 0.000 2.342 270 I HA 0.472 4.644 4.170 0.003 0.000 0.291 270 I C -0.094 175.967 176.117 -0.092 0.000 1.010 270 I CA 0.042 61.282 61.300 -0.099 0.000 1.308 270 I CB 1.263 39.202 38.000 -0.101 0.000 1.400 270 I HN 0.502 nan 8.210 nan 0.000 0.488 271 M N 4.736 124.299 119.600 -0.062 0.000 2.602 271 M HA 0.321 4.803 4.480 0.003 0.000 0.312 271 M C -0.237 176.128 176.300 0.109 0.000 1.181 271 M CA -0.794 54.483 55.300 -0.039 0.000 0.910 271 M CB 1.734 34.277 32.600 -0.095 0.000 1.723 271 M HN 0.438 nan 8.290 nan 0.000 0.459 272 D N 1.136 121.570 120.400 0.057 0.000 2.458 272 D HA 0.001 4.643 4.640 0.003 0.000 0.243 272 D C 0.881 177.176 176.300 -0.008 0.000 1.146 272 D CA 0.435 54.459 54.000 0.040 0.000 0.877 272 D CB 1.357 42.149 40.800 -0.014 0.000 1.176 272 D HN 0.858 nan 8.370 nan 0.000 0.461 273 G N 3.478 112.227 108.800 -0.084 0.000 2.559 273 G HA2 -0.188 3.773 3.960 0.003 0.000 0.216 273 G HA3 -0.188 3.773 3.960 0.003 0.000 0.216 273 G C 1.197 176.053 174.900 -0.073 0.000 1.126 273 G CA 0.346 45.423 45.100 -0.039 0.000 0.778 273 G HN 0.617 nan 8.290 nan 0.000 0.543 274 E N -0.835 119.282 120.200 -0.138 0.000 2.372 274 E HA -0.000 4.352 4.350 0.003 0.000 0.201 274 E C 2.302 178.803 176.600 -0.165 0.000 0.938 274 E CA 1.097 57.350 56.400 -0.246 0.000 0.944 274 E CB 0.463 30.077 29.700 -0.143 0.000 0.937 274 E HN 0.519 nan 8.360 nan 0.000 0.495 275 T N -2.434 112.111 114.554 -0.015 0.000 2.975 275 T HA 0.230 4.582 4.350 0.003 0.000 0.261 275 T C 1.124 175.991 174.700 0.278 0.000 0.984 275 T CA -0.292 61.891 62.100 0.139 0.000 0.911 275 T CB 0.446 69.483 68.868 0.282 0.000 1.127 275 T HN 0.110 nan 8.240 nan 0.000 0.514 276 L N 0.223 121.515 121.223 0.114 0.000 4.950 276 L HA -0.153 4.189 4.340 0.003 0.000 0.413 276 L C 0.345 177.019 176.870 -0.326 0.000 1.020 276 L CA 0.516 55.379 54.840 0.039 0.000 1.239 276 L CB -1.680 40.479 42.059 0.166 0.000 2.004 276 L HN 0.562 nan 8.230 nan 0.000 0.658 277 E N 3.657 123.575 120.200 -0.469 0.000 2.480 277 E HA 0.037 4.389 4.350 0.003 0.000 0.258 277 E C -1.897 174.317 176.600 -0.644 0.000 0.984 277 E CA -1.253 54.453 56.400 -1.157 0.000 0.930 277 E CB 0.671 29.937 29.700 -0.723 0.000 0.936 277 E HN 0.086 nan 8.360 nan 0.000 0.466 278 P HA 0.012 nan 4.420 nan 0.000 0.276 278 P C -0.473 176.684 177.300 -0.239 0.000 1.253 278 P CA -0.037 62.864 63.100 -0.331 0.000 0.766 278 P CB 1.192 32.730 31.700 -0.271 0.000 0.845 279 K N 1.995 122.304 120.400 -0.151 0.000 2.262 279 K HA 0.127 4.449 4.320 0.003 0.000 0.200 279 K C 0.481 177.023 176.600 -0.096 0.000 1.058 279 K CA 0.818 57.047 56.287 -0.097 0.000 0.974 279 K CB 0.323 32.806 32.500 -0.028 0.000 0.910 279 K HN 0.287 nan 8.250 nan 0.000 0.484 280 K N 0.898 121.232 120.400 -0.110 0.000 2.581 280 K HA 0.406 4.727 4.320 0.003 0.000 0.249 280 K C -1.511 174.998 176.600 -0.151 0.000 0.966 280 K CA -0.096 56.121 56.287 -0.116 0.000 0.811 280 K CB 1.035 33.474 32.500 -0.102 0.000 1.223 280 K HN -0.110 nan 8.250 nan 0.000 0.438 281 I N 3.839 124.303 120.570 -0.176 0.000 2.377 281 I HA 0.395 4.567 4.170 0.003 0.000 0.293 281 I C -0.332 175.585 176.117 -0.334 0.000 0.987 281 I CA -0.878 60.281 61.300 -0.235 0.000 1.185 281 I CB 1.723 39.627 38.000 -0.160 0.000 1.341 281 I HN 0.308 nan 8.210 nan 0.000 0.455 282 Q N 4.303 123.749 119.800 -0.590 0.000 2.321 282 Q HA 0.329 4.671 4.340 0.003 0.000 0.270 282 Q C -0.597 175.098 176.000 -0.509 0.000 1.032 282 Q CA -0.476 54.940 55.803 -0.645 0.000 0.784 282 Q CB 2.456 30.523 28.738 -1.119 0.000 1.264 282 Q HN 0.692 nan 8.270 nan 0.000 0.448 283 S N 0.912 116.449 115.700 -0.271 0.000 2.565 283 S HA 0.212 4.684 4.470 0.003 0.000 0.276 283 S C 0.908 175.444 174.600 -0.107 0.000 1.326 283 S CA 0.139 58.237 58.200 -0.170 0.000 1.045 283 S CB 0.478 63.616 63.200 -0.103 0.000 0.918 283 S HN 0.654 nan 8.310 nan 0.000 0.505 284 T N 1.849 116.365 114.554 -0.063 0.000 3.054 284 T HA 0.312 4.664 4.350 0.003 0.000 0.255 284 T C 0.544 175.237 174.700 -0.012 0.000 1.035 284 T CA -0.363 61.736 62.100 -0.002 0.000 0.941 284 T CB -0.127 68.760 68.868 0.032 0.000 1.026 284 T HN 0.583 nan 8.240 nan 0.000 0.533 285 R N 1.126 121.620 120.500 -0.011 0.000 2.570 285 R HA 0.524 4.866 4.340 0.003 0.000 0.277 285 R C 0.758 177.094 176.300 0.059 0.000 1.039 285 R CA 0.752 56.857 56.100 0.007 0.000 1.065 285 R CB 0.377 30.739 30.300 0.104 0.000 0.964 285 R HN 0.560 nan 8.270 nan 0.000 0.428 286 G N 1.498 110.282 108.800 -0.027 0.000 2.356 286 G HA2 0.185 4.147 3.960 0.003 0.000 0.281 286 G HA3 0.185 4.147 3.960 0.003 0.000 0.281 286 G C -1.466 173.449 174.900 0.025 0.000 1.246 286 G CA -0.910 44.243 45.100 0.088 0.000 0.889 286 G HN 0.236 nan 8.290 nan 0.000 0.486 287 M N 1.900 121.550 119.600 0.084 0.000 2.277 287 M HA 0.396 4.877 4.480 0.003 0.000 0.350 287 M C 0.885 177.202 176.300 0.027 0.000 1.180 287 M CA -0.638 54.703 55.300 0.069 0.000 1.103 287 M CB 0.576 33.226 32.600 0.083 0.000 1.577 287 M HN 0.790 nan 8.290 nan 0.000 0.459 288 T N -0.156 114.403 114.554 0.008 0.000 2.926 288 T HA 0.125 4.477 4.350 0.003 0.000 0.307 288 T C 1.021 175.704 174.700 -0.029 0.000 1.059 288 T CA -0.373 61.714 62.100 -0.022 0.000 1.122 288 T CB 0.270 69.101 68.868 -0.061 0.000 0.972 288 T HN 0.680 nan 8.240 nan 0.000 0.545 289 Y N 2.131 122.398 120.300 -0.054 0.000 2.242 289 Y HA -0.083 4.469 4.550 0.003 0.000 0.291 289 Y C 1.716 177.600 175.900 -0.028 0.000 1.137 289 Y CA 1.614 59.690 58.100 -0.040 0.000 1.181 289 Y CB -0.631 37.797 38.460 -0.052 0.000 0.989 289 Y HN 0.703 nan 8.280 nan 0.000 0.527 290 D N 0.130 119.802 120.400 -1.214 0.000 2.232 290 D HA -0.126 4.516 4.640 0.003 0.000 0.220 290 D C 1.442 177.522 176.300 -0.367 0.000 0.982 290 D CA 1.469 54.931 54.000 -0.897 0.000 0.892 290 D CB -0.929 39.237 40.800 -1.055 0.000 1.040 290 D HN 0.580 nan 8.370 nan 0.000 0.463 291 E N 0.108 120.143 120.200 -0.275 0.000 2.481 291 E HA 0.005 4.356 4.350 0.003 0.000 0.195 291 E C -0.142 176.407 176.600 -0.084 0.000 1.047 291 E CA -0.065 56.255 56.400 -0.134 0.000 0.867 291 E CB -0.126 29.522 29.700 -0.088 0.000 0.858 291 E HN 0.277 nan 8.360 nan 0.000 0.513 292 Q N 1.165 120.909 119.800 -0.094 0.000 2.439 292 Q HA -0.232 4.110 4.340 0.003 0.000 0.361 292 Q C -0.473 175.531 176.000 0.007 0.000 1.408 292 Q CA 0.736 56.520 55.803 -0.032 0.000 1.052 292 Q CB -1.287 27.438 28.738 -0.021 0.000 1.233 292 Q HN 0.363 nan 8.270 nan 0.000 0.347 293 E N 0.700 120.912 120.200 0.020 0.000 2.266 293 E HA 0.322 4.674 4.350 0.003 0.000 0.268 293 E C -1.194 175.465 176.600 0.098 0.000 0.879 293 E CA -0.914 55.521 56.400 0.058 0.000 0.762 293 E CB 1.141 30.862 29.700 0.034 0.000 1.199 293 E HN 0.256 nan 8.360 nan 0.000 0.422 294 Y N 3.860 124.174 120.300 0.024 0.000 2.620 294 Y HA 0.062 4.614 4.550 0.003 0.000 0.330 294 Y C -0.829 175.106 175.900 0.059 0.000 1.186 294 Y CA 0.453 58.578 58.100 0.041 0.000 1.467 294 Y CB 0.384 38.857 38.460 0.022 0.000 1.262 294 Y HN 0.456 nan 8.280 nan 0.000 0.550 295 H N 8.755 127.362 119.070 -0.773 0.000 2.727 295 H HA 0.283 4.841 4.556 0.003 0.000 0.330 295 H C -2.257 172.576 175.328 -0.824 0.000 0.986 295 H CA -2.449 53.267 56.048 -0.554 0.000 1.251 295 H CB 2.372 31.974 29.762 -0.268 0.000 1.493 295 H HN 0.494 nan 8.280 nan 0.000 0.515 296 P HA 0.045 nan 4.420 nan 0.000 0.249 296 P C 0.142 177.529 177.300 0.145 0.000 1.229 296 P CA 0.539 63.573 63.100 -0.109 0.000 0.788 296 P CB 0.704 32.476 31.700 0.120 0.000 1.072 297 E N 0.563 120.958 120.200 0.325 0.000 4.139 297 E HA 0.271 4.623 4.350 0.003 0.000 0.227 297 E C -2.660 174.006 176.600 0.111 0.000 1.187 297 E CA -1.865 54.710 56.400 0.292 0.000 1.324 297 E CB 0.876 30.799 29.700 0.372 0.000 1.207 297 E HN 0.086 nan 8.360 nan 0.000 0.422 298 P HA 0.192 nan 4.420 nan 0.000 0.283 298 P C -0.861 176.395 177.300 -0.073 0.000 1.412 298 P CA -0.273 62.725 63.100 -0.171 0.000 0.912 298 P CB 0.289 31.893 31.700 -0.160 0.000 1.132 299 R N 1.771 122.225 120.500 -0.077 0.000 2.590 299 R HA 0.237 4.579 4.340 0.003 0.000 0.274 299 R C -0.058 176.284 176.300 0.070 0.000 1.061 299 R CA -0.540 55.555 56.100 -0.008 0.000 1.081 299 R CB 0.364 30.518 30.300 -0.242 0.000 0.984 299 R HN 0.210 nan 8.270 nan 0.000 0.448 300 V N 3.289 123.302 119.914 0.164 0.000 2.488 300 V HA 0.222 4.343 4.120 0.003 0.000 0.277 300 V C 0.741 176.950 176.094 0.192 0.000 1.046 300 V CA 0.219 62.594 62.300 0.125 0.000 0.986 300 V CB 0.867 32.742 31.823 0.088 0.000 0.989 300 V HN 1.008 nan 8.190 nan 0.000 0.475 301 A N 4.998 127.889 122.820 0.119 0.000 3.711 301 A HA 0.890 5.212 4.320 0.003 0.000 0.185 301 A C 0.944 178.517 177.584 -0.018 0.000 1.697 301 A CA 0.222 52.320 52.037 0.100 0.000 1.787 301 A CB -0.478 18.574 19.000 0.085 0.000 1.545 301 A HN 1.077 nan 8.150 nan 0.000 0.553 302 A N -0.556 122.230 122.820 -0.056 0.000 2.483 302 A HA 0.507 4.829 4.320 0.003 0.000 0.238 302 A C -0.320 177.225 177.584 -0.065 0.000 1.070 302 A CA 0.418 52.430 52.037 -0.041 0.000 0.770 302 A CB -0.507 18.512 19.000 0.032 0.000 1.008 302 A HN 0.516 nan 8.150 nan 0.000 0.497 303 I N 1.963 122.466 120.570 -0.112 0.000 2.499 303 I HA 0.344 4.516 4.170 0.003 0.000 0.288 303 I C -0.990 175.027 176.117 -0.166 0.000 1.048 303 I CA -0.372 60.815 61.300 -0.187 0.000 1.062 303 I CB 1.687 39.536 38.000 -0.253 0.000 1.238 303 I HN 0.457 nan 8.210 nan 0.000 0.426 304 L N 4.901 125.997 121.223 -0.211 0.000 2.256 304 L HA 0.883 5.225 4.340 0.003 0.000 0.261 304 L C -0.154 176.710 176.870 -0.011 0.000 1.022 304 L CA -0.507 54.255 54.840 -0.130 0.000 0.828 304 L CB 1.819 43.729 42.059 -0.249 0.000 1.374 304 L HN 0.645 nan 8.230 nan 0.000 0.436 305 A N 0.009 122.873 122.820 0.073 0.000 2.343 305 A HA 0.682 5.004 4.320 0.003 0.000 0.316 305 A C -0.550 177.085 177.584 0.085 0.000 1.104 305 A CA -0.456 51.652 52.037 0.118 0.000 0.768 305 A CB 1.443 20.526 19.000 0.137 0.000 1.213 305 A HN 0.506 nan 8.150 nan 0.000 0.456 306 S N 0.373 116.077 115.700 0.007 0.000 2.564 306 S HA 0.196 4.667 4.470 0.003 0.000 0.278 306 S C 0.587 175.252 174.600 0.109 0.000 1.333 306 S CA -0.154 58.085 58.200 0.065 0.000 1.048 306 S CB 0.035 63.204 63.200 -0.052 0.000 0.900 306 S HN 0.726 nan 8.310 nan 0.000 0.505 307 H N 2.918 122.012 119.070 0.039 0.000 2.705 307 H HA 0.118 4.676 4.556 0.002 0.000 0.269 307 H C 0.253 175.544 175.328 -0.062 0.000 0.998 307 H CA 0.357 56.398 56.048 -0.012 0.000 1.193 307 H CB 0.401 30.152 29.762 -0.019 0.000 1.485 307 H HN 0.690 nan 8.280 nan 0.000 0.521 308 Y N 0.545 120.861 120.300 0.026 0.000 2.522 308 Y HA 0.214 4.765 4.550 0.003 0.000 0.277 308 Y C 0.775 176.627 175.900 -0.080 0.000 1.104 308 Y CA 0.346 58.428 58.100 -0.031 0.000 1.260 308 Y CB 0.804 39.226 38.460 -0.064 0.000 1.151 308 Y HN -0.122 nan 8.280 nan 0.000 0.539 309 R N -0.027 120.471 120.500 -0.003 0.000 2.808 309 R HA 0.308 4.649 4.340 0.003 0.000 0.272 309 R C -2.772 173.326 176.300 -0.337 0.000 0.995 309 R CA -2.080 53.928 56.100 -0.152 0.000 0.917 309 R CB 1.369 31.571 30.300 -0.163 0.000 1.217 309 R HN -0.289 nan 8.270 nan 0.000 0.471 310 P HA 0.098 nan 4.420 nan 0.000 0.230 310 P C -1.172 175.115 177.300 -1.688 0.000 1.791 310 P CA 0.322 62.705 63.100 -1.194 0.000 1.020 310 P CB 0.128 30.949 31.700 -1.464 0.000 1.977 311 E N 0.678 120.260 120.200 -1.031 0.000 2.393 311 E HA 0.516 4.868 4.350 0.003 0.000 0.273 311 E C -0.952 175.393 176.600 -0.425 0.000 0.918 311 E CA -0.804 55.150 56.400 -0.745 0.000 0.773 311 E CB 1.366 30.813 29.700 -0.422 0.000 1.275 311 E HN 0.035 nan 8.360 nan 0.000 0.451 312 F N 1.092 120.979 119.950 -0.104 0.000 2.425 312 F HA 0.463 4.991 4.527 0.002 0.000 0.331 312 F C 0.140 175.794 175.800 -0.243 0.000 1.085 312 F CA -0.796 57.126 58.000 -0.129 0.000 1.028 312 F CB 0.919 39.826 39.000 -0.155 0.000 1.177 312 F HN 0.233 nan 8.300 nan 0.000 0.487 313 I N 3.686 124.211 120.570 -0.074 0.000 2.354 313 I HA 0.349 4.521 4.170 0.003 0.000 0.286 313 I C -1.080 174.858 176.117 -0.299 0.000 1.007 313 I CA -0.620 60.516 61.300 -0.274 0.000 1.167 313 I CB 1.104 38.789 38.000 -0.525 0.000 1.320 313 I HN 0.108 nan 8.210 nan 0.000 0.458 314 V N 5.731 125.490 119.914 -0.258 0.000 2.384 314 V HA 0.336 4.458 4.120 0.003 0.000 0.287 314 V C -0.045 175.977 176.094 -0.121 0.000 1.020 314 V CA -0.808 61.344 62.300 -0.246 0.000 0.850 314 V CB 1.506 33.078 31.823 -0.418 0.000 0.987 314 V HN 0.580 nan 8.190 nan 0.000 0.436 315 N N 3.188 121.858 118.700 -0.050 0.000 2.444 315 N HA 0.387 5.128 4.740 0.003 0.000 0.271 315 N C -0.609 174.905 175.510 0.006 0.000 1.069 315 N CA -0.109 52.957 53.050 0.027 0.000 0.965 315 N CB 1.831 40.373 38.487 0.093 0.000 1.092 315 N HN 0.445 nan 8.380 nan 0.000 0.476 316 V N 3.817 123.727 119.914 -0.006 0.000 2.313 316 V HA 0.167 4.289 4.120 0.003 0.000 0.278 316 V C 1.549 177.614 176.094 -0.049 0.000 1.017 316 V CA -0.699 61.590 62.300 -0.017 0.000 0.823 316 V CB 1.273 33.084 31.823 -0.019 0.000 1.010 316 V HN 0.670 nan 8.190 nan 0.000 0.443 317 K N 3.522 123.899 120.400 -0.038 0.000 1.971 317 K HA -0.222 4.100 4.320 0.003 0.000 0.221 317 K C 1.652 178.121 176.600 -0.219 0.000 1.050 317 K CA 2.372 58.625 56.287 -0.057 0.000 0.967 317 K CB 0.128 32.635 32.500 0.013 0.000 0.733 317 K HN 0.684 nan 8.250 nan 0.000 0.445 318 E N -0.381 119.633 120.200 -0.310 0.000 2.204 318 E HA -0.122 4.230 4.350 0.003 0.000 0.195 318 E C 1.720 178.030 176.600 -0.483 0.000 0.990 318 E CA 1.789 57.867 56.400 -0.538 0.000 0.821 318 E CB -0.050 29.149 29.700 -0.836 0.000 0.750 318 E HN 0.634 nan 8.360 nan 0.000 0.477 319 T N -3.839 110.532 114.554 -0.306 0.000 3.065 319 T HA 0.252 4.604 4.350 0.003 0.000 0.252 319 T C 1.502 176.189 174.700 -0.021 0.000 1.099 319 T CA 0.155 62.167 62.100 -0.147 0.000 1.063 319 T CB 0.299 69.110 68.868 -0.094 0.000 0.948 319 T HN 0.207 nan 8.240 nan 0.000 0.506 320 G N 2.240 110.985 108.800 -0.091 0.000 2.272 320 G HA2 -0.196 3.765 3.960 0.003 0.000 0.280 320 G HA3 -0.196 3.765 3.960 0.003 0.000 0.280 320 G C -0.315 174.520 174.900 -0.108 0.000 1.067 320 G CA -0.227 44.824 45.100 -0.081 0.000 0.902 320 G HN 0.543 nan 8.290 nan 0.000 0.500 321 K N -0.159 120.200 120.400 -0.067 0.000 2.270 321 K HA 0.633 4.955 4.320 0.003 0.000 0.255 321 K C 0.114 176.687 176.600 -0.046 0.000 0.936 321 K CA -0.834 55.421 56.287 -0.053 0.000 0.809 321 K CB 2.173 34.665 32.500 -0.014 0.000 1.131 321 K HN 0.248 nan 8.250 nan 0.000 0.427 322 I N 4.350 124.891 120.570 -0.047 0.000 2.355 322 I HA 0.294 4.466 4.170 0.003 0.000 0.288 322 I C -0.256 175.835 176.117 -0.044 0.000 0.999 322 I CA -0.790 60.499 61.300 -0.019 0.000 1.163 322 I CB 0.920 38.938 38.000 0.030 0.000 1.316 322 I HN 0.238 nan 8.210 nan 0.000 0.454 323 L N 7.102 128.284 121.223 -0.069 0.000 2.295 323 L HA 0.522 4.864 4.340 0.003 0.000 0.285 323 L C -0.535 176.262 176.870 -0.122 0.000 1.035 323 L CA -0.637 54.153 54.840 -0.084 0.000 0.806 323 L CB 1.233 43.242 42.059 -0.083 0.000 1.214 323 L HN 0.423 nan 8.230 nan 0.000 0.426 324 L N 4.570 125.729 121.223 -0.107 0.000 2.277 324 L HA 0.420 4.761 4.340 0.003 0.000 0.284 324 L C -0.570 176.223 176.870 -0.129 0.000 1.028 324 L CA -0.646 54.115 54.840 -0.132 0.000 0.835 324 L CB 1.610 43.592 42.059 -0.128 0.000 1.215 324 L HN 0.333 nan 8.230 nan 0.000 0.425 325 V N 2.068 121.903 119.914 -0.132 0.000 2.333 325 V HA 0.155 4.276 4.120 0.003 0.000 0.274 325 V C 0.135 176.108 176.094 -0.202 0.000 1.028 325 V CA -0.616 61.625 62.300 -0.098 0.000 0.851 325 V CB 1.544 33.355 31.823 -0.021 0.000 1.000 325 V HN 0.605 nan 8.190 nan 0.000 0.456 326 D N 4.517 124.767 120.400 -0.250 0.000 2.325 326 D HA 0.070 4.711 4.640 0.003 0.000 0.251 326 D C 0.279 176.340 176.300 -0.399 0.000 1.196 326 D CA -0.277 53.465 54.000 -0.431 0.000 0.866 326 D CB 1.123 41.729 40.800 -0.323 0.000 1.101 326 D HN 0.667 nan 8.370 nan 0.000 0.476 327 Y N 1.176 121.202 120.300 -0.457 0.000 2.495 327 Y HA 0.148 4.700 4.550 0.003 0.000 0.293 327 Y C 1.849 177.472 175.900 -0.462 0.000 1.186 327 Y CA -0.092 57.718 58.100 -0.484 0.000 1.266 327 Y CB -0.708 37.390 38.460 -0.602 0.000 1.101 327 Y HN 0.217 nan 8.280 nan 0.000 0.517 328 T N -3.561 110.731 114.554 -0.436 0.000 3.055 328 T HA -0.018 4.334 4.350 0.003 0.000 0.265 328 T C 0.135 174.862 174.700 0.044 0.000 1.111 328 T CA 0.871 62.829 62.100 -0.236 0.000 1.118 328 T CB 0.000 68.737 68.868 -0.218 0.000 0.909 328 T HN 0.312 nan 8.240 nan 0.000 0.501 329 D N -0.085 120.300 120.400 -0.026 0.000 2.470 329 D HA 0.260 4.902 4.640 0.003 0.000 0.233 329 D C 0.455 176.742 176.300 -0.023 0.000 1.372 329 D CA -0.470 53.538 54.000 0.014 0.000 0.994 329 D CB 1.083 41.885 40.800 0.003 0.000 1.377 329 D HN 0.152 nan 8.370 nan 0.000 0.586 330 L N 2.654 123.870 121.223 -0.011 0.000 2.554 330 L HA 0.161 4.503 4.340 0.003 0.000 0.226 330 L C 1.475 178.328 176.870 -0.029 0.000 1.137 330 L CA 0.402 55.217 54.840 -0.043 0.000 0.863 330 L CB -0.055 41.964 42.059 -0.066 0.000 0.985 330 L HN 0.247 nan 8.230 nan 0.000 0.451 331 N N -0.384 118.310 118.700 -0.011 0.000 2.368 331 N HA 0.001 4.743 4.740 0.003 0.000 0.178 331 N C 0.377 175.877 175.510 -0.016 0.000 1.021 331 N CA 0.374 53.417 53.050 -0.012 0.000 0.875 331 N CB 0.310 38.797 38.487 0.000 0.000 1.020 331 N HN 0.184 nan 8.380 nan 0.000 0.433 332 N N 1.662 120.354 118.700 -0.015 0.000 3.091 332 N HA 0.123 4.865 4.740 0.003 0.000 0.255 332 N C -1.275 174.217 175.510 -0.030 0.000 1.204 332 N CA -0.236 52.803 53.050 -0.019 0.000 0.990 332 N CB 1.007 39.486 38.487 -0.014 0.000 1.260 332 N HN 0.128 nan 8.380 nan 0.000 0.502 333 L N 1.776 122.979 121.223 -0.033 0.000 2.456 333 L HA 0.118 4.460 4.340 0.003 0.000 0.277 333 L C 0.161 177.005 176.870 -0.042 0.000 1.124 333 L CA 0.214 55.029 54.840 -0.040 0.000 0.880 333 L CB 0.068 42.108 42.059 -0.031 0.000 1.192 333 L HN 0.084 nan 8.230 nan 0.000 0.463 334 K N 3.613 123.975 120.400 -0.063 0.000 2.201 334 K HA 0.565 4.887 4.320 0.003 0.000 0.278 334 K C -0.259 176.298 176.600 -0.072 0.000 1.027 334 K CA -0.406 55.840 56.287 -0.068 0.000 0.909 334 K CB 1.133 33.581 32.500 -0.087 0.000 1.062 334 K HN 0.735 nan 8.250 nan 0.000 0.465 335 T N -1.369 113.154 114.554 -0.051 0.000 2.883 335 T HA 0.409 4.761 4.350 0.003 0.000 0.301 335 T C -0.502 174.169 174.700 -0.048 0.000 1.158 335 T CA -0.834 61.238 62.100 -0.046 0.000 1.007 335 T CB 1.807 70.673 68.868 -0.003 0.000 1.186 335 T HN 0.267 nan 8.240 nan 0.000 0.499 336 T N 1.917 116.437 114.554 -0.057 0.000 2.815 336 T HA 0.432 4.784 4.350 0.003 0.000 0.289 336 T C -0.701 173.973 174.700 -0.043 0.000 1.000 336 T CA -0.575 61.494 62.100 -0.052 0.000 0.958 336 T CB 1.227 70.055 68.868 -0.067 0.000 0.944 336 T HN 0.795 nan 8.240 nan 0.000 0.442 337 E N 4.543 124.727 120.200 -0.027 0.000 2.014 337 E HA 0.311 4.662 4.350 0.003 0.000 0.275 337 E C -0.638 175.948 176.600 -0.024 0.000 0.997 337 E CA -0.454 55.935 56.400 -0.018 0.000 0.804 337 E CB 0.343 30.044 29.700 0.001 0.000 1.090 337 E HN 0.580 nan 8.360 nan 0.000 0.401 338 I N 3.568 124.114 120.570 -0.040 0.000 2.312 338 I HA 0.088 4.260 4.170 0.003 0.000 0.291 338 I C 0.239 176.310 176.117 -0.076 0.000 1.031 338 I CA -0.425 60.841 61.300 -0.056 0.000 1.293 338 I CB 1.515 39.473 38.000 -0.070 0.000 1.403 338 I HN 0.380 nan 8.210 nan 0.000 0.484 339 S N 5.215 120.877 115.700 -0.063 0.000 2.498 339 S HA 0.377 4.849 4.470 0.003 0.000 0.281 339 S C 0.599 175.012 174.600 -0.311 0.000 1.265 339 S CA -0.206 57.937 58.200 -0.095 0.000 1.071 339 S CB 1.067 64.312 63.200 0.076 0.000 0.894 339 S HN 0.799 nan 8.310 nan 0.000 0.491 340 A N 3.573 126.046 122.820 -0.578 0.000 2.385 340 A HA 0.797 5.119 4.320 0.003 0.000 0.209 340 A C -0.099 176.906 177.584 -0.964 0.000 2.123 340 A CA -0.146 51.544 52.037 -0.577 0.000 1.674 340 A CB 0.137 18.936 19.000 -0.335 0.000 1.212 340 A HN 0.590 nan 8.150 nan 0.000 0.422 341 E N -0.245 119.544 120.200 -0.684 0.000 2.352 341 E HA 0.490 4.842 4.350 0.003 0.000 0.280 341 E C -1.185 175.317 176.600 -0.163 0.000 0.930 341 E CA -0.483 55.662 56.400 -0.425 0.000 0.765 341 E CB 1.197 30.802 29.700 -0.159 0.000 1.219 341 E HN 0.431 nan 8.360 nan 0.000 0.434 342 R N 2.259 122.779 120.500 0.033 0.000 2.694 342 R HA 0.339 4.681 4.340 0.003 0.000 0.268 342 R C -0.337 175.821 176.300 -0.238 0.000 1.061 342 R CA 0.141 56.084 56.100 -0.260 0.000 1.133 342 R CB 0.093 30.077 30.300 -0.526 0.000 1.020 342 R HN 0.655 nan 8.270 nan 0.000 0.475 343 F N -1.281 118.695 119.950 0.043 0.000 2.937 343 F HA -0.198 4.331 4.527 0.003 0.000 0.290 343 F C -0.129 175.721 175.800 0.083 0.000 0.802 343 F CA -0.214 57.818 58.000 0.053 0.000 1.336 343 F CB -2.144 36.895 39.000 0.064 0.000 1.438 343 F HN 0.398 nan 8.300 nan 0.000 0.469 344 L N 0.306 121.601 121.223 0.120 0.000 2.490 344 L HA 0.231 4.573 4.340 0.003 0.000 0.274 344 L C 1.342 178.349 176.870 0.227 0.000 1.201 344 L CA 0.558 55.469 54.840 0.118 0.000 0.869 344 L CB 0.642 42.725 42.059 0.040 0.000 1.123 344 L HN 0.376 nan 8.230 nan 0.000 0.484 345 H N 0.718 119.860 119.070 0.119 0.000 4.819 345 H HA 0.201 4.758 4.556 0.003 0.000 0.100 345 H C -0.676 174.735 175.328 0.137 0.000 1.259 345 H CA 0.162 56.303 56.048 0.155 0.000 0.709 345 H CB 0.506 30.392 29.762 0.207 0.000 1.480 345 H HN 0.717 nan 8.280 nan 0.000 0.183 346 D N -0.013 120.420 120.400 0.055 0.000 2.440 346 D HA 0.564 5.206 4.640 0.003 0.000 0.258 346 D C 0.410 176.764 176.300 0.091 0.000 1.092 346 D CA -0.289 53.716 54.000 0.007 0.000 1.016 346 D CB 1.913 42.687 40.800 -0.044 0.000 1.141 346 D HN 0.713 nan 8.370 nan 0.000 0.552 347 G N -2.521 106.384 108.800 0.175 0.000 2.320 347 G HA2 0.609 4.571 3.960 0.003 0.000 0.296 347 G HA3 0.609 4.571 3.960 0.003 0.000 0.296 347 G C -1.185 173.942 174.900 0.378 0.000 1.306 347 G CA -0.354 44.863 45.100 0.196 0.000 0.836 347 G HN 0.872 nan 8.290 nan 0.000 0.517 348 G N -1.467 107.563 108.800 0.383 0.000 2.660 348 G HA2 0.658 4.620 3.960 0.003 0.000 0.290 348 G HA3 0.658 4.620 3.960 0.003 0.000 0.290 348 G C -1.110 174.106 174.900 0.527 0.000 1.432 348 G CA -0.855 44.576 45.100 0.552 0.000 0.807 348 G HN 0.696 nan 8.290 nan 0.000 0.485 349 L N 1.222 122.834 121.223 0.649 0.000 2.421 349 L HA 0.333 4.675 4.340 0.003 0.000 0.263 349 L C 0.755 177.802 176.870 0.294 0.000 1.122 349 L CA -1.030 54.041 54.840 0.385 0.000 0.804 349 L CB 1.008 43.265 42.059 0.329 0.000 1.150 349 L HN 0.769 nan 8.230 nan 0.000 0.457 350 D N 1.060 121.562 120.400 0.170 0.000 2.380 350 D HA -0.004 4.637 4.640 0.003 0.000 0.254 350 D C 1.125 177.415 176.300 -0.018 0.000 1.288 350 D CA 0.020 54.117 54.000 0.162 0.000 1.008 350 D CB 0.792 41.727 40.800 0.224 0.000 1.099 350 D HN 0.601 nan 8.370 nan 0.000 0.537 351 G N -0.639 108.142 108.800 -0.032 0.000 2.442 351 G HA2 -0.289 3.672 3.960 0.003 0.000 0.219 351 G HA3 -0.289 3.672 3.960 0.003 0.000 0.219 351 G C 1.525 176.234 174.900 -0.317 0.000 1.141 351 G CA 1.440 46.422 45.100 -0.197 0.000 0.763 351 G HN 0.597 nan 8.290 nan 0.000 0.554 352 S N -0.941 114.694 115.700 -0.108 0.000 2.561 352 S HA 0.023 4.495 4.470 0.003 0.000 0.225 352 S C 1.051 175.679 174.600 0.046 0.000 0.977 352 S CA 0.915 59.110 58.200 -0.009 0.000 0.926 352 S CB -0.463 62.816 63.200 0.131 0.000 0.769 352 S HN 0.671 nan 8.310 nan 0.000 0.533 353 H N -0.388 118.693 119.070 0.019 0.000 3.080 353 H HA -0.158 4.400 4.556 0.002 0.000 0.254 353 H C 1.322 176.665 175.328 0.025 0.000 1.179 353 H CA 1.014 57.008 56.048 -0.091 0.000 1.144 353 H CB -1.191 28.346 29.762 -0.375 0.000 1.261 353 H HN 0.503 nan 8.280 nan 0.000 0.333 354 R N -0.062 120.429 120.500 -0.015 0.000 2.175 354 R HA 0.111 4.453 4.340 0.003 0.000 0.202 354 R C -0.332 175.577 176.300 -0.651 0.000 1.018 354 R CA 0.502 56.232 56.100 -0.617 0.000 1.029 354 R CB 0.570 30.256 30.300 -1.022 0.000 0.959 354 R HN 0.194 nan 8.270 nan 0.000 0.480 355 Y N -0.142 120.121 120.300 -0.062 0.000 2.341 355 Y HA 0.288 4.840 4.550 0.002 0.000 0.337 355 Y C -0.709 175.178 175.900 -0.022 0.000 1.014 355 Y CA -1.325 56.721 58.100 -0.090 0.000 1.111 355 Y CB 1.240 39.650 38.460 -0.083 0.000 1.194 355 Y HN -0.090 nan 8.280 nan 0.000 0.462 356 F N 5.216 125.108 119.950 -0.096 0.000 2.405 356 F HA 0.598 5.127 4.527 0.002 0.000 0.355 356 F C -0.870 174.780 175.800 -0.249 0.000 1.121 356 F CA -1.824 56.100 58.000 -0.127 0.000 1.112 356 F CB 0.202 39.138 39.000 -0.106 0.000 1.126 356 F HN 0.333 nan 8.300 nan 0.000 0.481 357 I N 5.927 126.051 120.570 -0.743 0.000 2.382 357 I HA 0.310 4.482 4.170 0.003 0.000 0.286 357 I C -0.147 175.303 176.117 -1.112 0.000 1.002 357 I CA -0.437 60.262 61.300 -1.003 0.000 1.135 357 I CB 1.784 38.962 38.000 -1.370 0.000 1.288 357 I HN 0.568 nan 8.210 nan 0.000 0.448 358 T N 4.680 118.669 114.554 -0.941 0.000 2.900 358 T HA 0.734 5.086 4.350 0.003 0.000 0.295 358 T C -0.771 173.765 174.700 -0.273 0.000 1.044 358 T CA -0.501 61.220 62.100 -0.632 0.000 0.995 358 T CB 1.528 69.895 68.868 -0.835 0.000 1.072 358 T HN 0.614 nan 8.240 nan 0.000 0.473 359 A N 2.601 125.376 122.820 -0.075 0.000 2.320 359 A HA 0.709 5.031 4.320 0.003 0.000 0.287 359 A C 0.549 178.169 177.584 0.060 0.000 1.181 359 A CA -0.347 51.700 52.037 0.016 0.000 0.831 359 A CB 0.075 19.116 19.000 0.068 0.000 1.102 359 A HN 1.157 nan 8.150 nan 0.000 0.513 360 A N 3.617 126.471 122.820 0.056 0.000 3.016 360 A HA 0.374 4.695 4.320 0.003 0.000 0.303 360 A C 1.100 178.783 177.584 0.165 0.000 1.507 360 A CA -0.311 51.798 52.037 0.119 0.000 1.196 360 A CB -0.778 18.265 19.000 0.071 0.000 1.169 360 A HN 1.005 nan 8.150 nan 0.000 0.544 361 N N 2.548 121.362 118.700 0.191 0.000 2.036 361 N HA -0.256 4.486 4.740 0.003 0.000 0.195 361 N C 1.431 177.016 175.510 0.124 0.000 1.037 361 N CA 2.269 55.408 53.050 0.147 0.000 0.855 361 N CB -0.569 38.008 38.487 0.150 0.000 1.033 361 N HN 0.491 nan 8.380 nan 0.000 0.423 362 A N -0.148 122.756 122.820 0.139 0.000 2.121 362 A HA 0.017 4.338 4.320 0.003 0.000 0.218 362 A C 2.007 179.624 177.584 0.056 0.000 1.154 362 A CA 0.862 52.897 52.037 -0.004 0.000 0.679 362 A CB -0.363 18.392 19.000 -0.408 0.000 0.795 362 A HN 0.391 nan 8.150 nan 0.000 0.458 363 R N -0.938 119.655 120.500 0.156 0.000 2.432 363 R HA 0.088 4.430 4.340 0.003 0.000 0.260 363 R C -0.306 176.054 176.300 0.101 0.000 0.935 363 R CA 0.074 56.262 56.100 0.146 0.000 1.080 363 R CB 0.201 30.626 30.300 0.208 0.000 1.155 363 R HN 0.438 nan 8.270 nan 0.000 0.531 364 N N 1.548 120.304 118.700 0.094 0.000 2.725 364 N HA -0.162 4.580 4.740 0.003 0.000 0.249 364 N C -0.921 174.639 175.510 0.084 0.000 1.103 364 N CA 1.325 54.430 53.050 0.093 0.000 0.707 364 N CB -0.651 37.881 38.487 0.075 0.000 1.043 364 N HN 0.199 nan 8.380 nan 0.000 0.553 365 K N 0.315 120.757 120.400 0.070 0.000 2.267 365 K HA 0.576 4.897 4.320 0.003 0.000 0.246 365 K C 0.395 177.000 176.600 0.008 0.000 0.954 365 K CA -0.605 55.704 56.287 0.037 0.000 0.824 365 K CB 1.922 34.435 32.500 0.021 0.000 1.167 365 K HN 0.032 nan 8.250 nan 0.000 0.431 366 L N 1.721 122.930 121.223 -0.023 0.000 2.313 366 L HA 0.437 4.779 4.340 0.003 0.000 0.283 366 L C -0.539 176.232 176.870 -0.165 0.000 1.013 366 L CA -1.190 53.598 54.840 -0.087 0.000 0.816 366 L CB 1.898 43.929 42.059 -0.046 0.000 1.236 366 L HN 0.133 nan 8.230 nan 0.000 0.419 367 V N 4.207 123.967 119.914 -0.255 0.000 2.435 367 V HA 0.441 4.562 4.120 0.003 0.000 0.290 367 V C -0.074 175.766 176.094 -0.423 0.000 1.030 367 V CA -0.615 61.506 62.300 -0.298 0.000 0.881 367 V CB 2.229 33.886 31.823 -0.277 0.000 0.983 367 V HN 0.408 nan 8.190 nan 0.000 0.445 368 V N 5.876 125.530 119.914 -0.433 0.000 2.448 368 V HA 0.539 4.661 4.120 0.003 0.000 0.295 368 V C -0.442 175.387 176.094 -0.442 0.000 1.025 368 V CA -0.535 61.425 62.300 -0.567 0.000 0.859 368 V CB 1.748 33.022 31.823 -0.916 0.000 0.988 368 V HN 0.566 nan 8.190 nan 0.000 0.431 369 I N 3.235 123.628 120.570 -0.294 0.000 2.474 369 I HA 0.414 4.586 4.170 0.003 0.000 0.294 369 I C -0.325 175.737 176.117 -0.091 0.000 1.005 369 I CA -0.569 60.642 61.300 -0.149 0.000 1.113 369 I CB 1.919 39.915 38.000 -0.007 0.000 1.289 369 I HN 0.598 nan 8.210 nan 0.000 0.436 370 D N 4.007 124.344 120.400 -0.104 0.000 2.347 370 D HA 0.111 4.752 4.640 0.003 0.000 0.235 370 D C 1.239 177.386 176.300 -0.254 0.000 1.149 370 D CA -0.098 53.781 54.000 -0.202 0.000 0.850 370 D CB 1.254 41.997 40.800 -0.095 0.000 1.061 370 D HN 0.693 nan 8.370 nan 0.000 0.487 371 T N 1.101 115.451 114.554 -0.340 0.000 3.055 371 T HA -0.081 4.271 4.350 0.003 0.000 0.265 371 T C 1.572 176.127 174.700 -0.241 0.000 1.111 371 T CA 0.708 62.664 62.100 -0.241 0.000 1.118 371 T CB 0.131 68.894 68.868 -0.175 0.000 0.909 371 T HN 0.368 nan 8.240 nan 0.000 0.501 372 K N 0.683 120.853 120.400 -0.382 0.000 2.044 372 K HA -0.017 4.305 4.320 0.003 0.000 0.204 372 K C 2.057 178.580 176.600 -0.129 0.000 1.049 372 K CA 1.005 57.153 56.287 -0.232 0.000 0.945 372 K CB 0.129 32.427 32.500 -0.338 0.000 0.724 372 K HN 0.177 nan 8.250 nan 0.000 0.440 373 E N -0.428 119.684 120.200 -0.147 0.000 2.385 373 E HA 0.039 4.391 4.350 0.003 0.000 0.194 373 E C 0.598 177.146 176.600 -0.087 0.000 1.013 373 E CA 0.778 57.124 56.400 -0.090 0.000 0.866 373 E CB 0.552 30.211 29.700 -0.068 0.000 0.832 373 E HN 0.559 nan 8.360 nan 0.000 0.500 374 G N 2.044 110.779 108.800 -0.109 0.000 2.298 374 G HA2 -0.300 3.662 3.960 0.003 0.000 0.287 374 G HA3 -0.300 3.662 3.960 0.003 0.000 0.287 374 G C -0.181 174.669 174.900 -0.083 0.000 1.075 374 G CA 0.826 45.868 45.100 -0.098 0.000 0.960 374 G HN 0.198 nan 8.290 nan 0.000 0.502 375 K N -1.364 118.983 120.400 -0.088 0.000 2.536 375 K HA 0.652 4.974 4.320 0.003 0.000 0.269 375 K C -0.323 176.216 176.600 -0.102 0.000 0.965 375 K CA -1.210 55.029 56.287 -0.081 0.000 0.860 375 K CB 1.877 34.338 32.500 -0.065 0.000 1.423 375 K HN 0.224 nan 8.250 nan 0.000 0.438 376 L N 1.912 123.069 121.223 -0.109 0.000 2.453 376 L HA 0.093 4.435 4.340 0.003 0.000 0.272 376 L C 0.124 176.894 176.870 -0.167 0.000 1.182 376 L CA 0.572 55.323 54.840 -0.148 0.000 0.858 376 L CB 1.014 42.990 42.059 -0.138 0.000 1.120 376 L HN 0.627 nan 8.230 nan 0.000 0.474 377 V N 4.222 123.981 119.914 -0.259 0.000 2.908 377 V HA 0.587 4.709 4.120 0.003 0.000 0.240 377 V C 0.564 176.467 176.094 -0.318 0.000 1.117 377 V CA 0.746 62.853 62.300 -0.322 0.000 1.133 377 V CB 0.159 31.638 31.823 -0.574 0.000 0.857 377 V HN 0.960 nan 8.190 nan 0.000 0.478 378 A N -0.403 122.207 122.820 -0.351 0.000 2.601 378 A HA 0.787 5.109 4.320 0.003 0.000 0.291 378 A C -1.732 175.731 177.584 -0.202 0.000 1.075 378 A CA -0.353 51.548 52.037 -0.227 0.000 0.671 378 A CB 1.411 20.306 19.000 -0.175 0.000 1.277 378 A HN 0.099 nan 8.150 nan 0.000 0.417 379 I N 1.250 121.747 120.570 -0.121 0.000 2.534 379 I HA 0.438 4.609 4.170 0.003 0.000 0.286 379 I C -1.136 174.951 176.117 -0.051 0.000 1.094 379 I CA -0.424 60.814 61.300 -0.103 0.000 1.055 379 I CB 2.054 39.997 38.000 -0.094 0.000 1.225 379 I HN 0.565 nan 8.210 nan 0.000 0.435 380 E N 4.395 124.573 120.200 -0.037 0.000 2.314 380 E HA 0.269 4.620 4.350 0.003 0.000 0.272 380 E C -1.407 175.199 176.600 0.010 0.000 0.884 380 E CA -0.680 55.717 56.400 -0.006 0.000 0.753 380 E CB 3.061 32.764 29.700 0.006 0.000 1.213 380 E HN 0.494 nan 8.360 nan 0.000 0.432 381 D N 1.308 121.719 120.400 0.018 0.000 2.351 381 D HA 0.025 4.667 4.640 0.003 0.000 0.251 381 D C 0.982 177.307 176.300 0.041 0.000 1.137 381 D CA 0.187 54.207 54.000 0.033 0.000 0.879 381 D CB 1.196 42.012 40.800 0.026 0.000 1.181 381 D HN 0.439 nan 8.370 nan 0.000 0.448 382 T N 0.596 115.196 114.554 0.076 0.000 3.055 382 T HA 0.150 4.502 4.350 0.003 0.000 0.265 382 T C 1.492 176.217 174.700 0.043 0.000 1.111 382 T CA 0.725 62.888 62.100 0.105 0.000 1.118 382 T CB 0.073 69.104 68.868 0.272 0.000 0.909 382 T HN 0.662 nan 8.240 nan 0.000 0.501 383 G N 0.325 109.132 108.800 0.010 0.000 2.179 383 G HA2 -0.038 3.923 3.960 0.003 0.000 0.260 383 G HA3 -0.038 3.923 3.960 0.003 0.000 0.260 383 G C 0.367 175.197 174.900 -0.116 0.000 0.977 383 G CA -0.051 45.025 45.100 -0.039 0.000 0.641 383 G HN 1.098 nan 8.290 nan 0.000 0.533 384 G N -1.385 107.308 108.800 -0.179 0.000 2.667 384 G HA2 0.621 4.583 3.960 0.003 0.000 0.310 384 G HA3 0.621 4.583 3.960 0.003 0.000 0.310 384 G C -0.672 174.119 174.900 -0.182 0.000 1.259 384 G CA -0.469 44.350 45.100 -0.468 0.000 1.019 384 G HN 0.196 nan 8.290 nan 0.000 0.496 385 Q N 0.769 120.469 119.800 -0.166 0.000 2.340 385 Q HA 0.398 4.740 4.340 0.003 0.000 0.259 385 Q C -0.452 175.601 176.000 0.088 0.000 0.964 385 Q CA -0.157 55.639 55.803 -0.011 0.000 0.900 385 Q CB 1.182 29.893 28.738 -0.045 0.000 1.228 385 Q HN 0.718 nan 8.270 nan 0.000 0.449 386 T N 2.504 117.111 114.554 0.089 0.000 3.574 386 T HA -0.091 4.260 4.350 0.003 0.000 0.406 386 T C -2.437 172.274 174.700 0.017 0.000 0.765 386 T CA -0.215 61.888 62.100 0.006 0.000 2.116 386 T CB -1.105 67.663 68.868 -0.167 0.000 1.724 386 T HN 0.448 nan 8.240 nan 0.000 0.738 387 P HA 0.108 nan 4.420 nan 0.000 0.268 387 P C -0.285 176.944 177.300 -0.118 0.000 1.204 387 P CA 0.263 63.184 63.100 -0.297 0.000 0.768 387 P CB 0.556 32.110 31.700 -0.243 0.000 0.842 388 H N 5.601 124.521 119.070 -0.249 0.000 2.808 388 H HA 0.210 4.767 4.556 0.003 0.000 0.268 388 H C -2.104 173.132 175.328 -0.153 0.000 1.306 388 H CA -1.882 54.075 56.048 -0.151 0.000 1.565 388 H CB 1.709 31.337 29.762 -0.223 0.000 1.632 388 H HN 0.228 nan 8.280 nan 0.000 0.525 389 P HA 0.074 nan 4.420 nan 0.000 0.227 389 P C 1.007 178.290 177.300 -0.029 0.000 1.161 389 P CA 1.520 64.540 63.100 -0.133 0.000 0.788 389 P CB 1.267 32.967 31.700 -0.001 0.000 0.822 390 G N 1.614 110.360 108.800 -0.090 0.000 2.531 390 G HA2 -0.333 3.629 3.960 0.003 0.000 0.274 390 G HA3 -0.333 3.629 3.960 0.003 0.000 0.274 390 G C 0.864 175.853 174.900 0.148 0.000 1.159 390 G CA 0.307 45.541 45.100 0.222 0.000 0.969 390 G HN 0.273 nan 8.290 nan 0.000 0.554 391 R N 1.605 122.152 120.500 0.078 0.000 2.317 391 R HA 0.441 4.783 4.340 0.003 0.000 0.208 391 R C 1.441 177.780 176.300 0.064 0.000 0.914 391 R CA 1.226 57.253 56.100 -0.120 0.000 1.060 391 R CB -0.107 29.743 30.300 -0.750 0.000 1.015 391 R HN 2.065 nan 8.270 nan 0.000 0.498 392 G N 0.328 109.141 108.800 0.021 0.000 2.725 392 G HA2 -0.079 3.883 3.960 0.003 0.000 0.220 392 G HA3 -0.079 3.883 3.960 0.003 0.000 0.220 392 G C -1.038 173.767 174.900 -0.160 0.000 1.357 392 G CA -0.516 44.381 45.100 -0.338 0.000 0.866 392 G HN 0.358 nan 8.290 nan 0.000 0.548 393 A N 0.218 122.809 122.820 -0.382 0.000 2.385 393 A HA 0.725 5.047 4.320 0.003 0.000 0.290 393 A C -0.292 177.389 177.584 0.163 0.000 1.094 393 A CA -0.527 51.554 52.037 0.072 0.000 0.729 393 A CB 0.983 20.090 19.000 0.179 0.000 1.194 393 A HN 0.779 nan 8.150 nan 0.000 0.442 394 N N 2.013 120.900 118.700 0.311 0.000 2.438 394 N HA 0.760 5.501 4.740 0.003 0.000 0.282 394 N C -0.954 174.750 175.510 0.324 0.000 1.037 394 N CA 0.288 53.505 53.050 0.278 0.000 0.942 394 N CB 1.472 40.099 38.487 0.233 0.000 1.136 394 N HN 0.662 nan 8.380 nan 0.000 0.481 395 F N -1.891 118.121 119.950 0.104 0.000 2.713 395 F HA 0.486 5.016 4.527 0.004 0.000 0.311 395 F C -1.320 174.526 175.800 0.076 0.000 1.141 395 F CA -1.218 56.827 58.000 0.075 0.000 0.939 395 F CB 0.634 39.685 39.000 0.086 0.000 1.325 395 F HN -0.018 nan 8.300 nan 0.000 0.453 396 V N 2.660 122.726 119.914 0.254 0.000 2.334 396 V HA 0.198 4.320 4.120 0.003 0.000 0.267 396 V C -0.004 176.236 176.094 0.243 0.000 1.040 396 V CA -0.389 61.983 62.300 0.120 0.000 0.866 396 V CB 0.242 32.119 31.823 0.089 0.000 1.019 396 V HN 0.847 nan 8.190 nan 0.000 0.468 397 H N 8.354 127.455 119.070 0.052 0.000 2.722 397 H HA 0.169 4.727 4.556 0.004 0.000 0.328 397 H C -1.727 173.620 175.328 0.031 0.000 1.067 397 H CA -1.692 54.447 56.048 0.152 0.000 1.447 397 H CB 2.071 31.904 29.762 0.118 0.000 1.469 397 H HN 0.343 nan 8.280 nan 0.000 0.544 398 P HA -0.135 nan 4.420 nan 0.000 0.217 398 P C 0.902 178.210 177.300 0.014 0.000 1.148 398 P CA 1.615 64.673 63.100 -0.071 0.000 0.834 398 P CB 0.415 32.011 31.700 -0.174 0.000 0.783 399 T N -2.554 112.071 114.554 0.119 0.000 3.071 399 T HA 0.126 4.478 4.350 0.003 0.000 0.239 399 T C 1.171 175.857 174.700 -0.022 0.000 0.997 399 T CA 0.391 62.469 62.100 -0.037 0.000 1.134 399 T CB -0.484 68.202 68.868 -0.304 0.000 0.928 399 T HN -0.101 nan 8.240 nan 0.000 0.453 400 F N 1.977 121.970 119.950 0.072 0.000 2.456 400 F HA 0.380 4.908 4.527 0.003 0.000 0.298 400 F C 1.940 177.512 175.800 -0.380 0.000 1.104 400 F CA 0.196 58.074 58.000 -0.202 0.000 1.435 400 F CB -1.020 37.720 39.000 -0.434 0.000 1.078 400 F HN 0.385 nan 8.300 nan 0.000 0.546 401 G N -0.327 108.372 108.800 -0.168 0.000 2.568 401 G HA2 -0.198 3.763 3.960 0.003 0.000 0.222 401 G HA3 -0.198 3.763 3.960 0.003 0.000 0.222 401 G C -2.804 171.914 174.900 -0.302 0.000 1.321 401 G CA -1.233 43.555 45.100 -0.520 0.000 0.893 401 G HN -0.012 nan 8.290 nan 0.000 0.569 402 P HA 0.396 nan 4.420 nan 0.000 0.263 402 P C 0.207 177.361 177.300 -0.244 0.000 1.195 402 P CA 0.751 63.735 63.100 -0.193 0.000 0.762 402 P CB 0.934 32.559 31.700 -0.125 0.000 0.799 403 V N 1.191 120.937 119.914 -0.279 0.000 3.159 403 V HA 0.746 4.868 4.120 0.003 0.000 0.308 403 V C -1.806 174.200 176.094 -0.148 0.000 1.190 403 V CA -1.217 60.919 62.300 -0.273 0.000 1.037 403 V CB 2.399 33.986 31.823 -0.393 0.000 1.060 403 V HN 0.567 nan 8.190 nan 0.000 0.437 404 W N 1.824 123.007 121.300 -0.195 0.000 2.785 404 W HA 0.875 5.537 4.660 0.003 0.000 0.333 404 W C -0.417 176.098 176.519 -0.008 0.000 1.062 404 W CA -0.092 57.230 57.345 -0.038 0.000 1.233 404 W CB 1.870 31.358 29.460 0.048 0.000 1.413 404 W HN 1.061 nan 8.180 nan 0.000 0.489 405 A N 3.320 125.953 122.820 -0.311 0.000 2.354 405 A HA 0.835 5.156 4.320 0.003 0.000 0.321 405 A C -0.983 176.149 177.584 -0.753 0.000 1.125 405 A CA -0.567 51.289 52.037 -0.301 0.000 0.799 405 A CB 1.976 21.017 19.000 0.069 0.000 1.293 405 A HN 0.529 nan 8.150 nan 0.000 0.452 406 T N -0.221 114.060 114.554 -0.455 0.000 2.923 406 T HA 0.634 4.986 4.350 0.003 0.000 0.311 406 T C -0.107 174.424 174.700 -0.282 0.000 1.183 406 T CA 0.205 62.040 62.100 -0.442 0.000 1.020 406 T CB 1.127 69.762 68.868 -0.388 0.000 1.165 406 T HN 1.540 nan 8.240 nan 0.000 0.482 407 S N 2.627 118.190 115.700 -0.229 0.000 2.768 407 S HA 0.823 5.295 4.470 0.003 0.000 0.300 407 S C -0.944 173.494 174.600 -0.270 0.000 1.122 407 S CA -0.594 57.543 58.200 -0.106 0.000 0.995 407 S CB 0.836 64.033 63.200 -0.006 0.000 1.195 407 S HN 0.834 nan 8.310 nan 0.000 0.547 408 H N -0.973 118.058 119.070 -0.063 0.000 2.821 408 H HA 0.499 5.056 4.556 0.003 0.000 0.373 408 H C 0.359 175.627 175.328 -0.099 0.000 1.165 408 H CA -0.791 55.215 56.048 -0.070 0.000 1.154 408 H CB 1.383 31.102 29.762 -0.072 0.000 1.765 408 H HN 0.492 nan 8.280 nan 0.000 0.549 409 M N 0.626 120.203 119.600 -0.038 0.000 2.334 409 M HA 0.063 4.544 4.480 0.003 0.000 0.266 409 M C 2.003 178.246 176.300 -0.095 0.000 1.082 409 M CA 1.364 56.579 55.300 -0.143 0.000 1.141 409 M CB 0.173 32.573 32.600 -0.333 0.000 1.380 409 M HN 0.875 nan 8.290 nan 0.000 0.440 410 G N 0.617 109.382 108.800 -0.058 0.000 2.511 410 G HA2 -0.058 3.904 3.960 0.003 0.000 0.217 410 G HA3 -0.058 3.904 3.960 0.003 0.000 0.217 410 G C -0.011 174.863 174.900 -0.044 0.000 1.133 410 G CA 0.683 45.752 45.100 -0.053 0.000 0.792 410 G HN 0.551 nan 8.290 nan 0.000 0.539 411 D N -1.799 118.580 120.400 -0.035 0.000 2.759 411 D HA 0.219 4.860 4.640 0.003 0.000 0.321 411 D C -0.185 176.097 176.300 -0.030 0.000 1.267 411 D CA -0.333 53.636 54.000 -0.053 0.000 0.933 411 D CB 0.112 40.851 40.800 -0.101 0.000 1.431 411 D HN -0.032 nan 8.370 nan 0.000 0.504 412 D N -1.066 119.317 120.400 -0.029 0.000 2.328 412 D HA 0.078 4.719 4.640 0.003 0.000 0.226 412 D C 0.185 176.484 176.300 -0.001 0.000 1.066 412 D CA -0.127 53.873 54.000 -0.001 0.000 0.861 412 D CB -0.477 40.339 40.800 0.025 0.000 0.912 412 D HN 0.386 nan 8.370 nan 0.000 0.521 413 S N -0.459 115.199 115.700 -0.070 0.000 2.580 413 S HA 0.431 4.903 4.470 0.003 0.000 0.274 413 S C -0.008 174.576 174.600 -0.027 0.000 1.329 413 S CA -0.793 57.335 58.200 -0.120 0.000 1.036 413 S CB 1.629 64.656 63.200 -0.288 0.000 0.919 413 S HN -0.011 nan 8.310 nan 0.000 0.515 414 V N 1.934 121.690 119.914 -0.263 0.000 2.487 414 V HA 0.767 4.889 4.120 0.003 0.000 0.298 414 V C 0.189 175.983 176.094 -0.500 0.000 1.028 414 V CA -0.499 61.565 62.300 -0.394 0.000 0.860 414 V CB 1.173 32.548 31.823 -0.746 0.000 0.991 414 V HN 1.230 nan 8.190 nan 0.000 0.427 415 A N 6.003 128.709 122.820 -0.190 0.000 2.350 415 A HA 0.939 5.261 4.320 0.003 0.000 0.324 415 A C -1.002 176.537 177.584 -0.075 0.000 1.118 415 A CA -0.580 51.389 52.037 -0.113 0.000 0.783 415 A CB 1.096 20.137 19.000 0.068 0.000 1.236 415 A HN 0.783 nan 8.150 nan 0.000 0.457 416 L N 2.652 123.847 121.223 -0.048 0.000 2.329 416 L HA 0.635 4.977 4.340 0.003 0.000 0.279 416 L C -0.539 176.303 176.870 -0.046 0.000 1.014 416 L CA -0.434 54.400 54.840 -0.010 0.000 0.814 416 L CB 1.698 43.775 42.059 0.030 0.000 1.257 416 L HN 0.728 nan 8.230 nan 0.000 0.424 417 I N 0.959 121.540 120.570 0.019 0.000 2.509 417 I HA 0.573 4.744 4.170 0.003 0.000 0.293 417 I C 0.441 176.483 176.117 -0.125 0.000 1.020 417 I CA -0.380 60.909 61.300 -0.019 0.000 1.088 417 I CB 1.964 40.039 38.000 0.124 0.000 1.267 417 I HN 0.651 nan 8.210 nan 0.000 0.430 418 G N 3.007 111.645 108.800 -0.270 0.000 2.406 418 G HA2 0.341 4.303 3.960 0.003 0.000 0.251 418 G HA3 0.341 4.303 3.960 0.003 0.000 0.251 418 G C 0.409 174.912 174.900 -0.661 0.000 1.271 418 G CA 0.207 45.059 45.100 -0.412 0.000 0.859 418 G HN 0.734 nan 8.290 nan 0.000 0.540 419 T N -1.362 112.818 114.554 -0.624 0.000 3.288 419 T HA 0.228 4.580 4.350 0.003 0.000 0.293 419 T C -0.156 174.146 174.700 -0.663 0.000 1.008 419 T CA -0.361 61.240 62.100 -0.831 0.000 0.929 419 T CB 0.583 69.325 68.868 -0.210 0.000 1.152 419 T HN 0.369 nan 8.240 nan 0.000 0.517 420 D N 2.261 122.306 120.400 -0.591 0.000 2.441 420 D HA 0.329 4.971 4.640 0.003 0.000 0.287 420 D C -1.509 174.634 176.300 -0.261 0.000 1.198 420 D CA -2.375 51.462 54.000 -0.273 0.000 0.894 420 D CB 1.744 42.520 40.800 -0.042 0.000 1.070 420 D HN 0.010 nan 8.370 nan 0.000 0.499 421 P HA -0.144 nan 4.420 nan 0.000 0.219 421 P C 0.938 178.202 177.300 -0.059 0.000 1.146 421 P CA 0.907 63.895 63.100 -0.187 0.000 0.808 421 P CB 0.744 32.416 31.700 -0.047 0.000 0.779 422 E N -0.269 119.925 120.200 -0.011 0.000 2.086 422 E HA 0.001 4.353 4.350 0.003 0.000 0.190 422 E C 2.316 178.894 176.600 -0.036 0.000 0.975 422 E CA 1.412 57.813 56.400 0.002 0.000 0.813 422 E CB -0.968 28.755 29.700 0.038 0.000 0.768 422 E HN 0.301 nan 8.360 nan 0.000 0.457 423 G N -0.376 108.402 108.800 -0.036 0.000 2.595 423 G HA2 -0.083 3.879 3.960 0.003 0.000 0.213 423 G HA3 -0.083 3.879 3.960 0.003 0.000 0.213 423 G C 0.240 174.914 174.900 -0.377 0.000 1.141 423 G CA 0.068 45.081 45.100 -0.146 0.000 0.806 423 G HN 0.203 nan 8.290 nan 0.000 0.530 424 H N -0.373 118.642 119.070 -0.091 0.000 2.511 424 H HA 0.302 4.860 4.556 0.003 0.000 0.228 424 H C -1.868 173.370 175.328 -0.149 0.000 1.424 424 H CA -1.300 54.688 56.048 -0.100 0.000 1.321 424 H CB 1.648 31.347 29.762 -0.103 0.000 1.720 424 H HN 0.077 nan 8.280 nan 0.000 0.512 425 P HA -0.185 nan 4.420 nan 0.000 0.216 425 P C 1.006 178.255 177.300 -0.085 0.000 1.153 425 P CA 1.304 64.354 63.100 -0.083 0.000 0.858 425 P CB 0.452 32.120 31.700 -0.054 0.000 0.789 426 D N -1.614 118.755 120.400 -0.052 0.000 2.264 426 D HA -0.083 4.559 4.640 0.003 0.000 0.208 426 D C 1.280 177.531 176.300 -0.082 0.000 0.966 426 D CA 0.906 54.877 54.000 -0.048 0.000 0.864 426 D CB -0.559 40.231 40.800 -0.017 0.000 0.933 426 D HN 0.183 nan 8.370 nan 0.000 0.499 427 N N 0.116 118.752 118.700 -0.107 0.000 2.325 427 N HA 0.106 4.847 4.740 0.003 0.000 0.182 427 N C 0.223 175.546 175.510 -0.313 0.000 1.088 427 N CA -0.011 52.926 53.050 -0.190 0.000 0.879 427 N CB 0.261 38.649 38.487 -0.166 0.000 0.983 427 N HN -0.013 nan 8.380 nan 0.000 0.471 428 A N 0.362 122.950 122.820 -0.387 0.000 2.524 428 A HA 0.121 4.443 4.320 0.003 0.000 0.250 428 A C -0.090 177.109 177.584 -0.641 0.000 1.078 428 A CA -0.071 51.496 52.037 -0.785 0.000 0.761 428 A CB -0.777 17.702 19.000 -0.868 0.000 1.012 428 A HN 0.519 nan 8.150 nan 0.000 0.500 429 W N 0.245 121.430 121.300 -0.191 0.000 4.141 429 W HA -0.220 4.441 4.660 0.003 0.000 0.336 429 W C 0.312 176.744 176.519 -0.145 0.000 1.258 429 W CA 0.827 58.062 57.345 -0.183 0.000 0.747 429 W CB -1.587 27.758 29.460 -0.192 0.000 2.338 429 W HN 0.670 nan 8.180 nan 0.000 1.410 430 K N 0.542 120.908 120.400 -0.057 0.000 2.259 430 K HA 0.449 4.771 4.320 0.003 0.000 0.252 430 K C 0.273 176.799 176.600 -0.123 0.000 0.936 430 K CA -1.273 54.968 56.287 -0.078 0.000 0.810 430 K CB 1.622 34.049 32.500 -0.122 0.000 1.143 430 K HN -0.240 nan 8.250 nan 0.000 0.427 431 I N 4.999 125.515 120.570 -0.090 0.000 2.494 431 I HA -0.037 4.135 4.170 0.003 0.000 0.289 431 I C 1.128 177.125 176.117 -0.200 0.000 1.106 431 I CA 0.493 61.731 61.300 -0.104 0.000 1.369 431 I CB -0.144 37.828 38.000 -0.047 0.000 1.410 431 I HN 0.638 nan 8.210 nan 0.000 0.523 432 L N 3.945 124.963 121.223 -0.341 0.000 2.416 432 L HA 0.192 4.534 4.340 0.003 0.000 0.216 432 L C 0.451 177.068 176.870 -0.422 0.000 1.098 432 L CA 0.650 55.107 54.840 -0.637 0.000 0.840 432 L CB -0.077 41.162 42.059 -1.367 0.000 0.981 432 L HN 0.568 nan 8.230 nan 0.000 0.462 433 D N -1.555 118.749 120.400 -0.160 0.000 2.648 433 D HA 0.354 4.996 4.640 0.003 0.000 0.244 433 D C -1.557 174.769 176.300 0.043 0.000 1.244 433 D CA -0.181 53.870 54.000 0.085 0.000 0.772 433 D CB 2.273 43.295 40.800 0.370 0.000 1.379 433 D HN -0.242 nan 8.370 nan 0.000 0.428 434 S N 1.183 116.936 115.700 0.089 0.000 2.603 434 S HA 0.754 5.226 4.470 0.003 0.000 0.274 434 S C -1.730 172.907 174.600 0.061 0.000 1.168 434 S CA -0.689 57.462 58.200 -0.081 0.000 0.963 434 S CB 0.002 63.170 63.200 -0.054 0.000 1.078 434 S HN 0.342 nan 8.310 nan 0.000 0.477 435 F N 2.398 122.363 119.950 0.025 0.000 2.631 435 F HA 0.826 5.354 4.527 0.002 0.000 0.308 435 F C -2.982 172.867 175.800 0.082 0.000 1.097 435 F CA -2.280 55.755 58.000 0.058 0.000 0.952 435 F CB 0.920 39.960 39.000 0.066 0.000 1.307 435 F HN 0.274 nan 8.300 nan 0.000 0.450 436 P HA 0.451 nan 4.420 nan 0.000 0.278 436 P C -0.933 176.625 177.300 0.430 0.000 1.238 436 P CA 0.113 63.388 63.100 0.291 0.000 0.794 436 P CB 1.934 33.788 31.700 0.256 0.000 0.955 437 A N 2.609 125.529 122.820 0.168 0.000 3.791 437 A HA 0.412 4.733 4.320 0.003 0.000 0.159 437 A C 1.712 179.078 177.584 -0.363 0.000 1.359 437 A CA -0.503 51.414 52.037 -0.200 0.000 0.899 437 A CB -0.631 18.350 19.000 -0.032 0.000 1.642 437 A HN 0.459 nan 8.150 nan 0.000 0.612 438 L N -0.554 120.423 121.223 -0.410 0.000 2.017 438 L HA 0.183 4.524 4.340 0.003 0.000 0.208 438 L C 1.326 178.192 176.870 -0.007 0.000 1.073 438 L CA 1.501 56.257 54.840 -0.140 0.000 0.745 438 L CB -0.371 41.609 42.059 -0.131 0.000 0.894 438 L HN 0.937 nan 8.230 nan 0.000 0.432 439 G N -2.425 106.362 108.800 -0.023 0.000 2.321 439 G HA2 0.362 4.324 3.960 0.003 0.000 0.296 439 G HA3 0.362 4.324 3.960 0.003 0.000 0.296 439 G C -0.800 174.093 174.900 -0.012 0.000 1.287 439 G CA -0.395 44.704 45.100 -0.002 0.000 0.846 439 G HN 0.178 nan 8.290 nan 0.000 0.508 440 G N -1.817 106.974 108.800 -0.015 0.000 2.651 440 G HA2 0.559 4.521 3.960 0.003 0.000 0.260 440 G HA3 0.559 4.521 3.960 0.003 0.000 0.260 440 G C 1.279 176.159 174.900 -0.032 0.000 1.216 440 G CA 1.165 46.250 45.100 -0.024 0.000 0.913 440 G HN 2.364 nan 8.290 nan 0.000 0.535 441 G N -1.649 107.123 108.800 -0.048 0.000 2.141 441 G HA2 -0.172 3.790 3.960 0.003 0.000 0.242 441 G HA3 -0.172 3.790 3.960 0.003 0.000 0.242 441 G C 0.615 175.479 174.900 -0.061 0.000 0.982 441 G CA 0.726 45.790 45.100 -0.060 0.000 0.662 441 G HN 1.357 nan 8.290 nan 0.000 0.527 442 S N -0.749 114.920 115.700 -0.052 0.000 2.564 442 S HA 0.643 5.115 4.470 0.003 0.000 0.278 442 S C 1.511 176.036 174.600 -0.125 0.000 1.333 442 S CA 0.100 58.276 58.200 -0.040 0.000 1.048 442 S CB 0.840 64.039 63.200 -0.002 0.000 0.900 442 S HN 0.427 nan 8.310 nan 0.000 0.505 443 L N 2.681 123.817 121.223 -0.145 0.000 2.694 443 L HA 0.455 4.796 4.340 0.003 0.000 0.228 443 L C -0.847 175.691 176.870 -0.553 0.000 1.048 443 L CA 0.123 54.693 54.840 -0.451 0.000 0.887 443 L CB 0.315 42.021 42.059 -0.587 0.000 1.265 443 L HN 0.520 nan 8.230 nan 0.000 0.492 444 F N -0.067 120.002 119.950 0.198 0.000 2.569 444 F HA 0.501 5.030 4.527 0.004 0.000 0.312 444 F C -0.443 175.458 175.800 0.168 0.000 1.109 444 F CA -0.703 57.408 58.000 0.185 0.000 0.919 444 F CB 2.237 41.346 39.000 0.182 0.000 1.211 444 F HN -0.295 nan 8.300 nan 0.000 0.446 445 I N 2.995 123.750 120.570 0.308 0.000 2.530 445 I HA 0.666 4.838 4.170 0.003 0.000 0.297 445 I C -1.250 175.045 176.117 0.297 0.000 1.011 445 I CA -0.622 60.828 61.300 0.251 0.000 1.107 445 I CB 1.580 39.635 38.000 0.093 0.000 1.285 445 I HN 0.600 nan 8.210 nan 0.000 0.436 446 K N 3.720 124.355 120.400 0.391 0.000 2.546 446 K HA 0.678 5.000 4.320 0.003 0.000 0.264 446 K C -1.153 175.817 176.600 0.616 0.000 0.937 446 K CA -0.433 56.126 56.287 0.454 0.000 0.833 446 K CB 2.179 34.923 32.500 0.406 0.000 1.378 446 K HN 0.660 nan 8.250 nan 0.000 0.432 447 T N 0.422 115.305 114.554 0.548 0.000 2.665 447 T HA 0.460 4.812 4.350 0.003 0.000 0.303 447 T C -2.227 172.465 174.700 -0.013 0.000 1.334 447 T CA -0.471 61.882 62.100 0.421 0.000 1.011 447 T CB 0.736 69.763 68.868 0.264 0.000 1.573 447 T HN 0.583 nan 8.240 nan 0.000 0.492 448 H N 0.069 118.902 119.070 -0.394 0.000 3.046 448 H HA 0.342 4.901 4.556 0.006 0.000 0.363 448 H C -2.470 172.736 175.328 -0.205 0.000 1.203 448 H CA -1.342 54.406 56.048 -0.501 0.000 1.169 448 H CB 2.348 31.369 29.762 -1.235 0.000 1.851 448 H HN 0.320 nan 8.280 nan 0.000 0.546 449 P HA -0.140 nan 4.420 nan 0.000 0.217 449 P C 0.768 178.103 177.300 0.059 0.000 1.151 449 P CA 1.330 64.354 63.100 -0.128 0.000 0.849 449 P CB 0.377 31.949 31.700 -0.214 0.000 0.787 450 N N -1.600 117.261 118.700 0.268 0.000 2.461 450 N HA 0.004 4.746 4.740 0.003 0.000 0.188 450 N C 0.542 176.140 175.510 0.147 0.000 1.134 450 N CA 0.505 53.676 53.050 0.202 0.000 0.878 450 N CB -0.171 38.444 38.487 0.213 0.000 0.972 450 N HN 0.095 nan 8.380 nan 0.000 0.456 451 S N 0.265 116.047 115.700 0.136 0.000 2.565 451 S HA 0.200 4.672 4.470 0.003 0.000 0.290 451 S C 0.799 175.413 174.600 0.022 0.000 1.150 451 S CA -0.666 57.628 58.200 0.156 0.000 1.058 451 S CB 1.360 64.752 63.200 0.320 0.000 1.032 451 S HN 0.306 nan 8.310 nan 0.000 0.510 452 Q N 1.940 121.646 119.800 -0.158 0.000 2.247 452 Q HA 0.238 4.580 4.340 0.003 0.000 0.204 452 Q C -1.113 174.575 176.000 -0.519 0.000 0.872 452 Q CA -0.132 55.451 55.803 -0.367 0.000 0.951 452 Q CB 0.015 28.455 28.738 -0.496 0.000 1.099 452 Q HN 0.641 nan 8.270 nan 0.000 0.501 453 Y N 0.492 120.832 120.300 0.066 0.000 2.468 453 Y HA 0.525 5.075 4.550 0.000 0.000 0.342 453 Y C -0.798 175.092 175.900 -0.016 0.000 1.021 453 Y CA -1.772 56.303 58.100 -0.042 0.000 1.079 453 Y CB 1.745 40.100 38.460 -0.175 0.000 1.226 453 Y HN 0.051 nan 8.280 nan 0.000 0.460 454 L N 3.566 124.847 121.223 0.096 0.000 2.316 454 L HA 0.513 4.855 4.340 0.003 0.000 0.280 454 L C -1.807 175.188 176.870 0.208 0.000 1.006 454 L CA -0.867 54.072 54.840 0.164 0.000 0.836 454 L CB 0.063 42.156 42.059 0.057 0.000 1.221 454 L HN 0.448 nan 8.230 nan 0.000 0.418 455 Y N 4.087 124.604 120.300 0.361 0.000 2.323 455 Y HA 0.665 5.216 4.550 0.001 0.000 0.331 455 Y C -0.105 175.977 175.900 0.303 0.000 1.092 455 Y CA -0.712 57.589 58.100 0.336 0.000 1.150 455 Y CB 1.722 40.445 38.460 0.440 0.000 1.200 455 Y HN 0.268 nan 8.280 nan 0.000 0.472 456 V N 3.546 123.670 119.914 0.350 0.000 2.569 456 V HA 0.261 4.382 4.120 0.003 0.000 0.301 456 V C -0.728 175.452 176.094 0.142 0.000 1.044 456 V CA -1.103 61.345 62.300 0.248 0.000 0.874 456 V CB 1.459 33.408 31.823 0.210 0.000 1.002 456 V HN 0.815 nan 8.190 nan 0.000 0.424 457 D N 3.883 124.391 120.400 0.180 0.000 2.478 457 D HA 0.721 5.363 4.640 0.003 0.000 0.269 457 D C 0.273 176.602 176.300 0.049 0.000 1.232 457 D CA -0.447 53.614 54.000 0.102 0.000 1.059 457 D CB 1.683 42.604 40.800 0.202 0.000 1.104 457 D HN 0.722 nan 8.370 nan 0.000 0.566 458 A N -0.715 122.119 122.820 0.024 0.000 3.106 458 A HA 0.315 4.637 4.320 0.003 0.000 0.227 458 A C 1.040 178.632 177.584 0.014 0.000 0.920 458 A CA -0.396 51.642 52.037 0.001 0.000 1.088 458 A CB -0.664 18.318 19.000 -0.030 0.000 1.233 458 A HN 0.453 nan 8.150 nan 0.000 0.503 459 T N 0.820 115.411 114.554 0.061 0.000 2.649 459 T HA -0.220 4.132 4.350 0.003 0.000 0.268 459 T C 1.469 176.199 174.700 0.049 0.000 1.036 459 T CA 2.033 64.194 62.100 0.101 0.000 1.157 459 T CB -0.361 68.631 68.868 0.206 0.000 0.861 459 T HN 0.490 nan 8.240 nan 0.000 0.445 460 L N 0.811 122.043 121.223 0.014 0.000 2.612 460 L HA 0.190 4.532 4.340 0.003 0.000 0.230 460 L C 1.114 177.962 176.870 -0.037 0.000 1.140 460 L CA -0.329 54.500 54.840 -0.019 0.000 0.896 460 L CB -0.555 41.484 42.059 -0.033 0.000 1.065 460 L HN 0.253 nan 8.230 nan 0.000 0.447 461 N N 2.425 121.106 118.700 -0.031 0.000 2.458 461 N HA 0.002 4.743 4.740 0.003 0.000 0.258 461 N C -1.458 174.027 175.510 -0.042 0.000 1.219 461 N CA -0.839 52.190 53.050 -0.035 0.000 0.902 461 N CB 1.502 39.970 38.487 -0.031 0.000 1.076 461 N HN -0.037 nan 8.380 nan 0.000 0.455 462 P HA -0.075 nan 4.420 nan 0.000 0.223 462 P C -0.069 177.205 177.300 -0.044 0.000 1.151 462 P CA 0.924 63.996 63.100 -0.046 0.000 0.787 462 P CB 0.315 31.990 31.700 -0.041 0.000 0.788 463 E N -0.093 120.084 120.200 -0.038 0.000 2.152 463 E HA 0.351 4.702 4.350 0.003 0.000 0.285 463 E C 1.197 177.772 176.600 -0.042 0.000 1.043 463 E CA -0.378 56.000 56.400 -0.037 0.000 0.839 463 E CB 0.865 30.548 29.700 -0.030 0.000 1.069 463 E HN -0.072 nan 8.360 nan 0.000 0.399 464 A N 4.516 127.309 122.820 -0.045 0.000 1.927 464 A HA -0.303 4.018 4.320 0.003 0.000 0.220 464 A C 1.951 179.504 177.584 -0.053 0.000 1.185 464 A CA 2.157 54.164 52.037 -0.050 0.000 0.639 464 A CB -0.494 18.477 19.000 -0.048 0.000 0.820 464 A HN 0.839 nan 8.150 nan 0.000 0.451 465 E N -0.000 120.170 120.200 -0.050 0.000 2.085 465 E HA -0.178 4.174 4.350 0.003 0.000 0.194 465 E C 1.755 178.316 176.600 -0.065 0.000 0.994 465 E CA 1.758 58.123 56.400 -0.058 0.000 0.801 465 E CB -0.299 29.372 29.700 -0.048 0.000 0.743 465 E HN 0.676 nan 8.360 nan 0.000 0.453 466 I N 0.406 120.945 120.570 -0.051 0.000 2.233 466 I HA -0.205 3.967 4.170 0.003 0.000 0.243 466 I C 2.386 178.469 176.117 -0.057 0.000 1.093 466 I CA 1.175 62.446 61.300 -0.050 0.000 1.380 466 I CB -0.446 37.535 38.000 -0.032 0.000 1.067 466 I HN 0.198 nan 8.210 nan 0.000 0.413 467 S N 0.758 116.429 115.700 -0.048 0.000 2.442 467 S HA -0.072 4.400 4.470 0.003 0.000 0.236 467 S C 1.834 176.408 174.600 -0.042 0.000 1.007 467 S CA 0.990 59.169 58.200 -0.036 0.000 0.965 467 S CB -0.757 62.423 63.200 -0.033 0.000 0.773 467 S HN 0.499 nan 8.310 nan 0.000 0.504 468 G N 0.085 108.845 108.800 -0.068 0.000 3.189 468 G HA2 0.467 4.429 3.960 0.003 0.000 0.225 468 G HA3 0.467 4.429 3.960 0.003 0.000 0.225 468 G C 0.087 174.894 174.900 -0.156 0.000 1.159 468 G CA -0.258 44.789 45.100 -0.088 0.000 0.763 468 G HN 0.472 nan 8.290 nan 0.000 0.549 469 S N -1.445 114.156 115.700 -0.163 0.000 2.715 469 S HA 0.755 5.227 4.470 0.003 0.000 0.307 469 S C -0.993 173.463 174.600 -0.241 0.000 1.119 469 S CA -0.526 57.533 58.200 -0.235 0.000 0.937 469 S CB 2.574 65.657 63.200 -0.194 0.000 1.150 469 S HN -0.043 nan 8.310 nan 0.000 0.521 470 V N 0.930 120.666 119.914 -0.297 0.000 2.760 470 V HA 0.755 4.877 4.120 0.003 0.000 0.309 470 V C -0.367 175.608 176.094 -0.198 0.000 1.077 470 V CA -0.820 61.321 62.300 -0.264 0.000 0.910 470 V CB 1.746 33.288 31.823 -0.467 0.000 1.008 470 V HN 1.028 nan 8.190 nan 0.000 0.424 471 A N 3.860 126.562 122.820 -0.197 0.000 2.309 471 A HA 0.841 5.163 4.320 0.003 0.000 0.298 471 A C -0.732 176.699 177.584 -0.254 0.000 1.165 471 A CA -0.423 51.413 52.037 -0.335 0.000 0.821 471 A CB 1.082 19.602 19.000 -0.800 0.000 1.102 471 A HN 0.820 nan 8.150 nan 0.000 0.500 472 V N 2.747 122.475 119.914 -0.310 0.000 2.482 472 V HA 0.412 4.534 4.120 0.003 0.000 0.295 472 V C -1.077 174.848 176.094 -0.281 0.000 1.026 472 V CA -0.264 61.846 62.300 -0.315 0.000 0.856 472 V CB 0.877 32.436 31.823 -0.440 0.000 1.001 472 V HN 0.732 nan 8.190 nan 0.000 0.424 473 F N 1.968 121.929 119.950 0.018 0.000 2.422 473 F HA 0.473 5.002 4.527 0.003 0.000 0.333 473 F C 0.554 176.417 175.800 0.105 0.000 1.095 473 F CA -0.521 57.524 58.000 0.075 0.000 1.038 473 F CB 1.211 40.249 39.000 0.064 0.000 1.156 473 F HN 0.417 nan 8.300 nan 0.000 0.483 474 D N 3.218 123.784 120.400 0.276 0.000 2.411 474 D HA 0.217 4.859 4.640 0.003 0.000 0.225 474 D C 1.110 177.402 176.300 -0.013 0.000 1.156 474 D CA 0.133 54.231 54.000 0.163 0.000 0.874 474 D CB 0.557 41.451 40.800 0.158 0.000 1.034 474 D HN 0.493 nan 8.370 nan 0.000 0.502 475 I N 3.215 123.704 120.570 -0.134 0.000 2.208 475 I HA -0.286 3.886 4.170 0.003 0.000 0.245 475 I C 2.281 178.297 176.117 -0.169 0.000 1.097 475 I CA 0.961 62.134 61.300 -0.212 0.000 1.363 475 I CB 0.008 37.814 38.000 -0.323 0.000 1.051 475 I HN 0.340 nan 8.210 nan 0.000 0.413 476 K N 0.744 121.052 120.400 -0.154 0.000 2.152 476 K HA -0.138 4.183 4.320 0.003 0.000 0.206 476 K C 2.007 178.542 176.600 -0.109 0.000 1.048 476 K CA 1.502 57.715 56.287 -0.122 0.000 0.933 476 K CB -0.205 32.228 32.500 -0.111 0.000 0.721 476 K HN 0.344 nan 8.250 nan 0.000 0.447 477 A N 0.733 123.499 122.820 -0.091 0.000 2.208 477 A HA 0.080 4.402 4.320 0.003 0.000 0.209 477 A C 0.801 178.325 177.584 -0.101 0.000 1.161 477 A CA 0.044 52.039 52.037 -0.071 0.000 0.782 477 A CB -0.228 18.755 19.000 -0.029 0.000 0.816 477 A HN 0.154 nan 8.150 nan 0.000 0.477 478 M N 0.942 120.443 119.600 -0.166 0.000 2.246 478 M HA 0.079 4.561 4.480 0.003 0.000 0.350 478 M C 1.417 177.579 176.300 -0.231 0.000 1.406 478 M CA 0.592 55.761 55.300 -0.218 0.000 1.089 478 M CB 0.809 33.200 32.600 -0.349 0.000 1.782 478 M HN 0.437 nan 8.290 nan 0.000 0.457 479 T N -2.068 112.425 114.554 -0.102 0.000 3.000 479 T HA 0.258 4.610 4.350 0.003 0.000 0.248 479 T C 1.336 175.994 174.700 -0.070 0.000 1.034 479 T CA 0.442 62.496 62.100 -0.077 0.000 1.060 479 T CB 0.206 69.043 68.868 -0.051 0.000 0.983 479 T HN 0.969 nan 8.240 nan 0.000 0.482 480 G N 3.142 111.943 108.800 0.001 0.000 2.160 480 G HA2 -0.273 3.689 3.960 0.003 0.000 0.251 480 G HA3 -0.273 3.689 3.960 0.003 0.000 0.251 480 G C 0.371 175.293 174.900 0.036 0.000 1.008 480 G CA 0.525 45.572 45.100 -0.089 0.000 0.724 480 G HN 0.768 nan 8.290 nan 0.000 0.514 481 D N -0.603 119.819 120.400 0.037 0.000 2.363 481 D HA 0.344 4.985 4.640 0.003 0.000 0.226 481 D C 1.867 178.217 176.300 0.083 0.000 1.020 481 D CA 0.850 54.881 54.000 0.051 0.000 0.892 481 D CB -0.509 40.305 40.800 0.023 0.000 0.900 481 D HN 1.583 nan 8.370 nan 0.000 0.531 482 G N -0.119 108.753 108.800 0.121 0.000 2.213 482 G HA2 -0.271 3.690 3.960 0.003 0.000 0.236 482 G HA3 -0.271 3.690 3.960 0.003 0.000 0.236 482 G C 0.465 175.429 174.900 0.106 0.000 0.991 482 G CA 0.316 45.490 45.100 0.123 0.000 0.629 482 G HN 0.809 nan 8.290 nan 0.000 0.517 483 S N 0.349 116.097 115.700 0.081 0.000 2.645 483 S HA 0.579 5.051 4.470 0.003 0.000 0.266 483 S C -0.486 174.162 174.600 0.079 0.000 1.258 483 S CA -0.292 57.949 58.200 0.069 0.000 0.990 483 S CB 1.605 64.830 63.200 0.042 0.000 0.967 483 S HN 0.133 nan 8.310 nan 0.000 0.556 484 D N 3.006 123.460 120.400 0.091 0.000 2.316 484 D HA 0.360 5.002 4.640 0.003 0.000 0.245 484 D C -1.953 174.386 176.300 0.065 0.000 1.171 484 D CA -1.140 52.935 54.000 0.125 0.000 0.856 484 D CB 0.609 41.526 40.800 0.194 0.000 1.090 484 D HN 0.428 nan 8.370 nan 0.000 0.476 485 P HA 0.050 nan 4.420 nan 0.000 0.268 485 P C -0.052 177.373 177.300 0.208 0.000 1.205 485 P CA -0.119 62.972 63.100 -0.014 0.000 0.771 485 P CB 1.323 32.872 31.700 -0.252 0.000 0.858 486 E N 1.486 121.746 120.200 0.101 0.000 2.392 486 E HA 0.364 4.716 4.350 0.003 0.000 0.259 486 E C -0.282 176.317 176.600 -0.001 0.000 1.108 486 E CA -0.156 56.236 56.400 -0.012 0.000 0.916 486 E CB 0.274 29.917 29.700 -0.094 0.000 0.989 486 E HN 0.457 nan 8.360 nan 0.000 0.432 487 F N -1.210 118.591 119.950 -0.248 0.000 2.588 487 F HA 0.525 5.054 4.527 0.002 0.000 0.310 487 F C -0.704 174.903 175.800 -0.321 0.000 1.082 487 F CA -1.417 56.278 58.000 -0.509 0.000 0.929 487 F CB 1.053 39.365 39.000 -1.146 0.000 1.254 487 F HN 0.115 nan 8.300 nan 0.000 0.455 488 K N 1.182 121.528 120.400 -0.090 0.000 2.143 488 K HA 0.551 4.872 4.320 0.003 0.000 0.272 488 K C -0.997 175.596 176.600 -0.012 0.000 1.001 488 K CA -0.426 55.801 56.287 -0.101 0.000 0.915 488 K CB 1.368 33.791 32.500 -0.129 0.000 1.047 488 K HN 0.883 nan 8.250 nan 0.000 0.458 489 T N 5.009 119.543 114.554 -0.033 0.000 2.743 489 T HA 0.309 4.660 4.350 0.003 0.000 0.292 489 T C -0.267 174.322 174.700 -0.184 0.000 0.972 489 T CA -0.597 61.474 62.100 -0.048 0.000 0.967 489 T CB 0.271 69.131 68.868 -0.013 0.000 0.926 489 T HN 0.397 nan 8.240 nan 0.000 0.459 490 L N 6.488 127.540 121.223 -0.285 0.000 2.265 490 L HA 0.351 4.693 4.340 0.003 0.000 0.288 490 L C -1.746 174.696 176.870 -0.714 0.000 1.058 490 L CA -2.183 52.326 54.840 -0.552 0.000 0.809 490 L CB 1.078 42.827 42.059 -0.517 0.000 1.179 490 L HN 0.358 nan 8.230 nan 0.000 0.429 491 P HA 0.077 nan 4.420 nan 0.000 0.225 491 P C 1.025 177.787 177.300 -0.897 0.000 1.813 491 P CA -0.330 62.336 63.100 -0.724 0.000 1.013 491 P CB 0.262 31.641 31.700 -0.535 0.000 1.961 492 I N 1.689 121.831 120.570 -0.714 0.000 2.113 492 I HA -0.283 3.888 4.170 0.003 0.000 0.242 492 I C 2.387 178.400 176.117 -0.174 0.000 1.064 492 I CA 1.865 62.909 61.300 -0.426 0.000 1.320 492 I CB -2.030 35.752 38.000 -0.363 0.000 1.028 492 I HN 0.163 nan 8.210 nan 0.000 0.406 493 A N 0.164 122.888 122.820 -0.160 0.000 1.908 493 A HA -0.257 4.065 4.320 0.003 0.000 0.218 493 A C 2.396 179.955 177.584 -0.042 0.000 1.181 493 A CA 1.926 53.922 52.037 -0.068 0.000 0.627 493 A CB -0.760 18.200 19.000 -0.066 0.000 0.818 493 A HN 0.559 nan 8.150 nan 0.000 0.445 494 E N -1.267 118.880 120.200 -0.089 0.000 2.077 494 E HA -0.230 4.122 4.350 0.003 0.000 0.193 494 E C 1.727 178.396 176.600 0.116 0.000 0.989 494 E CA 1.353 57.739 56.400 -0.023 0.000 0.800 494 E CB -0.213 29.441 29.700 -0.077 0.000 0.746 494 E HN 0.769 nan 8.360 nan 0.000 0.452 495 W N 0.321 121.579 121.300 -0.070 0.000 2.374 495 W HA -0.023 4.643 4.660 0.010 0.000 0.288 495 W C 2.323 178.785 176.519 -0.095 0.000 1.218 495 W CA 1.028 58.324 57.345 -0.083 0.000 1.245 495 W CB -0.944 28.463 29.460 -0.090 0.000 1.126 495 W HN 0.205 nan 8.180 nan 0.000 0.545 496 A N -0.276 122.625 122.820 0.135 0.000 2.119 496 A HA 0.299 4.620 4.320 0.003 0.000 0.217 496 A C 1.758 179.347 177.584 0.008 0.000 1.153 496 A CA 1.233 53.291 52.037 0.035 0.000 0.692 496 A CB -0.981 18.032 19.000 0.023 0.000 0.799 496 A HN 0.555 nan 8.150 nan 0.000 0.458 497 G N -0.384 108.431 108.800 0.025 0.000 2.359 497 G HA2 -0.215 3.746 3.960 0.003 0.000 0.298 497 G HA3 -0.215 3.746 3.960 0.003 0.000 0.298 497 G C -0.181 174.717 174.900 -0.003 0.000 1.030 497 G CA 0.453 45.557 45.100 0.007 0.000 1.149 497 G HN 0.514 nan 8.290 nan 0.000 0.512 498 I N 0.579 121.149 120.570 -0.001 0.000 2.339 498 I HA 0.254 4.426 4.170 0.003 0.000 0.290 498 I C 1.620 177.733 176.117 -0.006 0.000 0.994 498 I CA -0.666 60.633 61.300 -0.002 0.000 1.191 498 I CB 1.535 39.537 38.000 0.004 0.000 1.343 498 I HN 0.182 nan 8.210 nan 0.000 0.458 499 T N 3.466 118.016 114.554 -0.006 0.000 2.698 499 T HA -0.075 4.277 4.350 0.003 0.000 0.260 499 T C 0.857 175.551 174.700 -0.010 0.000 1.044 499 T CA 0.836 62.931 62.100 -0.008 0.000 1.149 499 T CB -0.052 68.812 68.868 -0.007 0.000 0.864 499 T HN 0.691 nan 8.240 nan 0.000 0.419 500 E N 1.993 122.188 120.200 -0.008 0.000 2.374 500 E HA 0.408 4.760 4.350 0.003 0.000 0.260 500 E C 0.725 177.316 176.600 -0.016 0.000 1.101 500 E CA 0.241 56.635 56.400 -0.010 0.000 0.907 500 E CB 0.376 30.073 29.700 -0.005 0.000 1.014 500 E HN 0.484 nan 8.360 nan 0.000 0.427 501 G N 2.204 110.991 108.800 -0.022 0.000 2.752 501 G HA2 -0.255 3.707 3.960 0.003 0.000 0.234 501 G HA3 -0.255 3.707 3.960 0.003 0.000 0.234 501 G C -0.840 174.036 174.900 -0.040 0.000 1.367 501 G CA 0.249 45.328 45.100 -0.034 0.000 0.879 501 G HN 0.602 nan 8.290 nan 0.000 0.563 502 Q N 1.100 120.866 119.800 -0.056 0.000 2.965 502 Q HA 0.417 4.758 4.340 0.003 0.000 0.288 502 Q C -2.053 173.904 176.000 -0.071 0.000 0.974 502 Q CA -1.193 54.574 55.803 -0.059 0.000 0.849 502 Q CB 1.507 30.205 28.738 -0.066 0.000 1.280 502 Q HN 0.679 nan 8.270 nan 0.000 0.441 503 P HA -0.003 nan 4.420 nan 0.000 0.266 503 P C -0.584 176.704 177.300 -0.020 0.000 1.195 503 P CA 0.001 63.081 63.100 -0.034 0.000 0.768 503 P CB 0.968 32.674 31.700 0.010 0.000 0.838 504 R N 1.361 121.863 120.500 0.003 0.000 2.393 504 R HA 0.467 4.809 4.340 0.003 0.000 0.310 504 R C -0.445 175.968 176.300 0.189 0.000 0.968 504 R CA -1.116 55.023 56.100 0.065 0.000 0.867 504 R CB 1.449 31.768 30.300 0.030 0.000 1.124 504 R HN 0.268 nan 8.270 nan 0.000 0.450 505 V N 3.912 123.900 119.914 0.124 0.000 2.530 505 V HA 0.294 4.416 4.120 0.003 0.000 0.282 505 V C -0.081 176.150 176.094 0.229 0.000 1.048 505 V CA -0.251 62.131 62.300 0.138 0.000 0.997 505 V CB 1.468 33.282 31.823 -0.014 0.000 0.987 505 V HN 0.489 nan 8.190 nan 0.000 0.477 506 V N 5.372 125.467 119.914 0.301 0.000 2.932 506 V HA 0.518 4.640 4.120 0.003 0.000 0.307 506 V C -0.507 175.761 176.094 0.290 0.000 1.147 506 V CA -0.368 62.144 62.300 0.352 0.000 0.951 506 V CB 1.778 33.830 31.823 0.380 0.000 1.031 506 V HN 1.062 nan 8.190 nan 0.000 0.426 507 Q N 3.049 123.047 119.800 0.330 0.000 2.588 507 Q HA -0.136 4.206 4.340 0.003 0.000 0.234 507 Q C -0.086 175.834 176.000 -0.134 0.000 1.382 507 Q CA 0.828 56.596 55.803 -0.058 0.000 0.700 507 Q CB -0.841 27.495 28.738 -0.669 0.000 0.808 507 Q HN 1.430 nan 8.270 nan 0.000 0.310 508 G N 3.044 111.766 108.800 -0.130 0.000 2.432 508 G HA2 0.407 4.369 3.960 0.003 0.000 0.257 508 G HA3 0.407 4.369 3.960 0.003 0.000 0.257 508 G C -0.646 174.000 174.900 -0.422 0.000 1.238 508 G CA 0.085 44.754 45.100 -0.719 0.000 0.838 508 G HN 0.535 nan 8.290 nan 0.000 0.547 509 E N 0.885 120.812 120.200 -0.456 0.000 2.291 509 E HA 0.498 4.849 4.350 0.003 0.000 0.276 509 E C -1.382 175.149 176.600 -0.114 0.000 0.896 509 E CA -0.708 55.587 56.400 -0.175 0.000 0.774 509 E CB 0.899 30.486 29.700 -0.187 0.000 1.227 509 E HN 0.238 nan 8.360 nan 0.000 0.413 510 F N 2.939 122.872 119.950 -0.028 0.000 2.370 510 F HA 0.346 4.873 4.527 -0.000 0.000 0.324 510 F C 1.287 177.094 175.800 0.011 0.000 1.116 510 F CA -0.341 57.671 58.000 0.020 0.000 1.123 510 F CB 0.658 39.667 39.000 0.015 0.000 1.238 510 F HN 0.527 nan 8.300 nan 0.000 0.536 511 N N 1.284 120.177 118.700 0.320 0.000 2.327 511 N HA 0.063 4.805 4.740 0.003 0.000 0.257 511 N C 0.688 176.241 175.510 0.071 0.000 1.281 511 N CA -0.512 52.670 53.050 0.221 0.000 0.942 511 N CB 0.244 38.944 38.487 0.355 0.000 1.199 511 N HN 0.666 nan 8.380 nan 0.000 0.532 512 K N -0.783 119.631 120.400 0.024 0.000 2.063 512 K HA -0.170 4.152 4.320 0.003 0.000 0.208 512 K C 0.139 176.715 176.600 -0.040 0.000 1.048 512 K CA 1.649 57.936 56.287 -0.000 0.000 0.928 512 K CB -0.140 32.306 32.500 -0.090 0.000 0.713 512 K HN 0.463 nan 8.250 nan 0.000 0.442 513 D N -0.520 119.858 120.400 -0.037 0.000 2.347 513 D HA 0.015 4.657 4.640 0.003 0.000 0.215 513 D C 0.834 177.048 176.300 -0.144 0.000 0.976 513 D CA 1.107 55.081 54.000 -0.043 0.000 0.884 513 D CB 0.140 40.944 40.800 0.006 0.000 0.915 513 D HN 0.526 nan 8.370 nan 0.000 0.526 514 G N 0.855 109.450 108.800 -0.343 0.000 2.221 514 G HA2 -0.312 3.650 3.960 0.003 0.000 0.265 514 G HA3 -0.312 3.650 3.960 0.003 0.000 0.265 514 G C 1.040 175.939 174.900 -0.002 0.000 1.041 514 G CA 1.132 45.787 45.100 -0.741 0.000 0.807 514 G HN 0.430 nan 8.290 nan 0.000 0.502 515 T N -3.801 110.846 114.554 0.155 0.000 2.990 515 T HA 0.464 4.816 4.350 0.003 0.000 0.250 515 T C 0.512 175.366 174.700 0.257 0.000 1.041 515 T CA 0.805 63.032 62.100 0.213 0.000 1.010 515 T CB 0.872 69.826 68.868 0.144 0.000 1.003 515 T HN 0.505 nan 8.240 nan 0.000 0.499 516 E N 0.334 120.694 120.200 0.267 0.000 2.314 516 E HA 0.634 4.986 4.350 0.003 0.000 0.272 516 E C -1.946 174.663 176.600 0.016 0.000 0.884 516 E CA -0.966 55.549 56.400 0.191 0.000 0.753 516 E CB 3.340 33.210 29.700 0.283 0.000 1.213 516 E HN 0.069 nan 8.360 nan 0.000 0.432 517 V N 2.979 122.758 119.914 -0.224 0.000 2.540 517 V HA 0.510 4.632 4.120 0.003 0.000 0.302 517 V C -1.642 174.286 176.094 -0.278 0.000 1.035 517 V CA -0.477 61.435 62.300 -0.647 0.000 0.873 517 V CB 0.686 31.630 31.823 -1.466 0.000 0.992 517 V HN 0.584 nan 8.190 nan 0.000 0.428 518 W N 5.572 126.480 121.300 -0.655 0.000 2.512 518 W HA 0.772 5.431 4.660 -0.001 0.000 0.335 518 W C -0.657 175.403 176.519 -0.765 0.000 1.088 518 W CA -1.047 55.983 57.345 -0.525 0.000 1.236 518 W CB 1.171 30.375 29.460 -0.427 0.000 1.307 518 W HN 0.397 nan 8.180 nan 0.000 0.567 519 F N 0.661 120.639 119.950 0.047 0.000 2.588 519 F HA 0.446 4.974 4.527 0.002 0.000 0.310 519 F C 0.258 176.066 175.800 0.014 0.000 1.082 519 F CA -1.098 56.907 58.000 0.009 0.000 0.929 519 F CB 1.759 40.755 39.000 -0.007 0.000 1.254 519 F HN -0.041 nan 8.300 nan 0.000 0.455 520 S N 1.272 117.099 115.700 0.212 0.000 2.508 520 S HA 0.561 5.033 4.470 0.003 0.000 0.284 520 S C -0.603 174.111 174.600 0.191 0.000 1.192 520 S CA -0.670 57.615 58.200 0.142 0.000 1.070 520 S CB 1.429 64.665 63.200 0.059 0.000 1.004 520 S HN 0.325 nan 8.310 nan 0.000 0.493 521 V N 4.291 124.301 119.914 0.161 0.000 2.259 521 V HA 0.194 4.316 4.120 0.003 0.000 0.267 521 V C -0.735 175.500 176.094 0.235 0.000 1.051 521 V CA -0.707 61.690 62.300 0.160 0.000 0.830 521 V CB -0.118 31.757 31.823 0.087 0.000 1.080 521 V HN 0.898 nan 8.190 nan 0.000 0.467 522 W N 6.065 127.398 121.300 0.055 0.000 2.481 522 W HA 0.467 5.128 4.660 0.003 0.000 0.320 522 W C -0.112 176.445 176.519 0.062 0.000 1.209 522 W CA -0.535 56.850 57.345 0.066 0.000 1.400 522 W CB 0.347 29.863 29.460 0.093 0.000 1.361 522 W HN 0.435 nan 8.180 nan 0.000 0.456 523 N N 2.561 121.391 118.700 0.216 0.000 2.531 523 N HA 0.609 5.350 4.740 0.003 0.000 0.290 523 N C 0.081 175.621 175.510 0.051 0.000 1.257 523 N CA -0.338 52.725 53.050 0.022 0.000 0.863 523 N CB 1.502 40.018 38.487 0.048 0.000 1.320 523 N HN 0.470 nan 8.380 nan 0.000 0.538 524 G N 0.106 108.907 108.800 0.002 0.000 2.664 524 G HA2 0.009 3.971 3.960 0.003 0.000 0.242 524 G HA3 0.009 3.971 3.960 0.003 0.000 0.242 524 G C 0.896 175.868 174.900 0.120 0.000 1.225 524 G CA -0.099 45.036 45.100 0.057 0.000 0.849 524 G HN 0.679 nan 8.290 nan 0.000 0.581 525 K N -0.663 119.825 120.400 0.146 0.000 2.103 525 K HA -0.108 4.214 4.320 0.003 0.000 0.207 525 K C 0.819 177.478 176.600 0.099 0.000 1.048 525 K CA 1.677 58.048 56.287 0.140 0.000 0.930 525 K CB 0.053 32.647 32.500 0.156 0.000 0.716 525 K HN 0.468 nan 8.250 nan 0.000 0.444 526 D N 0.654 121.102 120.400 0.080 0.000 2.358 526 D HA 0.053 4.695 4.640 0.003 0.000 0.224 526 D C -0.059 176.269 176.300 0.047 0.000 1.123 526 D CA 0.333 54.368 54.000 0.059 0.000 0.833 526 D CB 0.554 41.384 40.800 0.051 0.000 0.946 526 D HN 0.345 nan 8.370 nan 0.000 0.505 527 Q N 0.141 119.972 119.800 0.052 0.000 2.495 527 Q HA 0.330 4.671 4.340 0.003 0.000 0.283 527 Q C -0.361 175.668 176.000 0.047 0.000 1.097 527 Q CA -0.801 55.026 55.803 0.039 0.000 0.836 527 Q CB 2.242 30.996 28.738 0.027 0.000 1.426 527 Q HN -0.014 nan 8.270 nan 0.000 0.459 528 E N 0.555 120.776 120.200 0.035 0.000 2.259 528 E HA 0.302 4.654 4.350 0.003 0.000 0.281 528 E C -1.056 175.573 176.600 0.049 0.000 1.027 528 E CA 0.041 56.462 56.400 0.036 0.000 0.838 528 E CB 0.922 30.633 29.700 0.019 0.000 1.066 528 E HN 0.414 nan 8.360 nan 0.000 0.401 529 S N 1.306 117.042 115.700 0.060 0.000 2.751 529 S HA 0.944 5.415 4.470 0.003 0.000 0.310 529 S C -1.193 173.436 174.600 0.048 0.000 1.128 529 S CA -0.387 57.862 58.200 0.081 0.000 0.931 529 S CB 1.863 65.141 63.200 0.130 0.000 1.177 529 S HN 0.733 nan 8.310 nan 0.000 0.530 530 A N 0.442 123.293 122.820 0.051 0.000 2.566 530 A HA 0.718 5.040 4.320 0.003 0.000 0.290 530 A C -2.259 175.330 177.584 0.008 0.000 1.071 530 A CA -0.671 51.370 52.037 0.007 0.000 0.658 530 A CB 0.649 19.636 19.000 -0.020 0.000 1.285 530 A HN 0.606 nan 8.150 nan 0.000 0.427 531 L N 0.629 121.820 121.223 -0.053 0.000 2.346 531 L HA 0.692 5.033 4.340 0.003 0.000 0.276 531 L C -0.998 175.769 176.870 -0.171 0.000 1.006 531 L CA -1.091 53.703 54.840 -0.078 0.000 0.817 531 L CB 1.904 43.891 42.059 -0.121 0.000 1.272 531 L HN 0.453 nan 8.230 nan 0.000 0.421 532 V N 3.618 123.469 119.914 -0.104 0.000 2.409 532 V HA 0.373 4.494 4.120 0.003 0.000 0.291 532 V C -0.083 175.895 176.094 -0.194 0.000 1.020 532 V CA -0.625 61.610 62.300 -0.108 0.000 0.848 532 V CB 2.287 34.165 31.823 0.091 0.000 0.990 532 V HN 0.416 nan 8.190 nan 0.000 0.430 533 V N 6.057 125.722 119.914 -0.415 0.000 2.394 533 V HA 0.459 4.581 4.120 0.003 0.000 0.282 533 V C -0.058 175.928 176.094 -0.180 0.000 1.031 533 V CA -0.495 61.497 62.300 -0.513 0.000 0.881 533 V CB 1.698 32.965 31.823 -0.927 0.000 0.982 533 V HN 0.600 nan 8.190 nan 0.000 0.451 534 V N 3.429 123.330 119.914 -0.021 0.000 2.435 534 V HA 0.345 4.466 4.120 0.003 0.000 0.290 534 V C -0.041 176.100 176.094 0.078 0.000 1.030 534 V CA -0.703 61.657 62.300 0.101 0.000 0.881 534 V CB 1.933 33.932 31.823 0.293 0.000 0.983 534 V HN 0.881 nan 8.190 nan 0.000 0.445 535 D N 2.919 123.365 120.400 0.077 0.000 2.338 535 D HA 0.013 4.655 4.640 0.003 0.000 0.255 535 D C 0.867 177.282 176.300 0.192 0.000 1.237 535 D CA 0.168 54.234 54.000 0.110 0.000 0.883 535 D CB 1.327 42.166 40.800 0.065 0.000 1.087 535 D HN 0.744 nan 8.370 nan 0.000 0.485 536 D N 3.237 123.791 120.400 0.255 0.000 2.144 536 D HA -0.181 4.461 4.640 0.003 0.000 0.199 536 D C 1.446 178.009 176.300 0.438 0.000 0.984 536 D CA 1.198 55.449 54.000 0.419 0.000 0.834 536 D CB 0.437 41.557 40.800 0.535 0.000 0.955 536 D HN 0.182 nan 8.370 nan 0.000 0.465 537 K N -0.503 120.088 120.400 0.318 0.000 2.097 537 K HA -0.070 4.252 4.320 0.003 0.000 0.206 537 K C 2.253 179.017 176.600 0.273 0.000 1.049 537 K CA 1.721 58.184 56.287 0.293 0.000 0.933 537 K CB -0.842 31.770 32.500 0.187 0.000 0.717 537 K HN 0.462 nan 8.250 nan 0.000 0.442 538 T N -2.157 112.508 114.554 0.184 0.000 3.014 538 T HA 0.214 4.565 4.350 0.003 0.000 0.250 538 T C 0.995 175.740 174.700 0.075 0.000 1.060 538 T CA -0.168 62.003 62.100 0.118 0.000 1.040 538 T CB -0.011 68.900 68.868 0.071 0.000 0.971 538 T HN 0.183 nan 8.240 nan 0.000 0.497 539 L N 0.487 121.763 121.223 0.088 0.000 4.089 539 L HA -0.163 4.178 4.340 0.003 0.000 0.408 539 L C -0.314 176.660 176.870 0.172 0.000 1.184 539 L CA 0.429 55.321 54.840 0.087 0.000 0.947 539 L CB -1.968 40.026 42.059 -0.107 0.000 2.066 539 L HN 0.521 nan 8.230 nan 0.000 0.851 540 E N 0.121 120.364 120.200 0.071 0.000 2.222 540 E HA 0.533 4.884 4.350 0.003 0.000 0.267 540 E C -0.249 176.166 176.600 -0.308 0.000 0.963 540 E CA -1.257 55.079 56.400 -0.106 0.000 0.837 540 E CB 2.210 31.840 29.700 -0.118 0.000 1.183 540 E HN 0.098 nan 8.360 nan 0.000 0.403 541 L N 2.314 123.023 121.223 -0.857 0.000 2.513 541 L HA 0.000 4.342 4.340 0.003 0.000 0.272 541 L C 0.733 177.364 176.870 -0.398 0.000 1.187 541 L CA 0.747 55.092 54.840 -0.825 0.000 0.895 541 L CB 0.501 41.795 42.059 -1.274 0.000 1.147 541 L HN 0.471 nan 8.230 nan 0.000 0.483 542 K N 3.010 123.254 120.400 -0.260 0.000 2.262 542 K HA 0.179 4.501 4.320 0.003 0.000 0.200 542 K C -0.465 176.023 176.600 -0.187 0.000 1.058 542 K CA 0.691 56.873 56.287 -0.175 0.000 0.974 542 K CB 0.088 32.523 32.500 -0.107 0.000 0.910 542 K HN 0.838 nan 8.250 nan 0.000 0.484 543 H N -1.692 117.104 119.070 -0.456 0.000 3.068 543 H HA 0.477 5.036 4.556 0.004 0.000 0.342 543 H C -1.995 173.031 175.328 -0.503 0.000 1.284 543 H CA -0.760 54.960 56.048 -0.547 0.000 1.181 543 H CB 1.570 30.732 29.762 -0.999 0.000 1.898 543 H HN -0.170 nan 8.280 nan 0.000 0.540 544 V N 5.464 124.870 119.914 -0.846 0.000 2.409 544 V HA 0.361 4.483 4.120 0.003 0.000 0.291 544 V C -0.006 175.748 176.094 -0.567 0.000 1.020 544 V CA -0.545 61.433 62.300 -0.536 0.000 0.848 544 V CB 1.267 32.877 31.823 -0.355 0.000 0.990 544 V HN 0.571 nan 8.190 nan 0.000 0.430 545 I N 5.459 125.827 120.570 -0.336 0.000 2.312 545 I HA 0.471 4.643 4.170 0.003 0.000 0.290 545 I C 0.059 176.106 176.117 -0.118 0.000 1.008 545 I CA -0.206 60.982 61.300 -0.187 0.000 1.226 545 I CB 0.888 38.778 38.000 -0.185 0.000 1.371 545 I HN 0.495 nan 8.210 nan 0.000 0.468 546 K N 5.192 125.543 120.400 -0.082 0.000 2.468 546 K HA 0.505 4.827 4.320 0.003 0.000 0.252 546 K C -1.486 175.103 176.600 -0.018 0.000 0.932 546 K CA -0.855 55.405 56.287 -0.046 0.000 0.794 546 K CB 2.690 35.156 32.500 -0.056 0.000 1.241 546 K HN 0.487 nan 8.250 nan 0.000 0.428 547 D N 1.413 121.813 120.400 -0.001 0.000 2.769 547 D HA 0.041 4.683 4.640 0.003 0.000 0.219 547 D C 0.162 176.472 176.300 0.016 0.000 1.245 547 D CA -0.273 53.733 54.000 0.009 0.000 0.801 547 D CB 1.815 42.624 40.800 0.016 0.000 1.598 547 D HN 0.401 nan 8.370 nan 0.000 0.485 548 E N 1.470 121.680 120.200 0.017 0.000 2.209 548 E HA -0.146 4.205 4.350 0.003 0.000 0.196 548 E C 1.503 178.121 176.600 0.029 0.000 0.993 548 E CA 1.045 57.459 56.400 0.023 0.000 0.819 548 E CB 0.088 29.800 29.700 0.021 0.000 0.745 548 E HN 0.439 nan 8.360 nan 0.000 0.477 549 R N -0.048 120.470 120.500 0.029 0.000 2.236 549 R HA 0.038 4.379 4.340 0.003 0.000 0.208 549 R C 1.007 177.328 176.300 0.036 0.000 1.036 549 R CA -0.069 56.051 56.100 0.033 0.000 1.001 549 R CB -0.105 30.213 30.300 0.031 0.000 0.896 549 R HN -0.025 nan 8.270 nan 0.000 0.464 550 L N 2.194 123.438 121.223 0.035 0.000 2.376 550 L HA 0.088 4.430 4.340 0.003 0.000 0.250 550 L C -0.752 176.148 176.870 0.050 0.000 1.335 550 L CA 0.158 55.021 54.840 0.039 0.000 1.214 550 L CB 0.322 42.401 42.059 0.033 0.000 1.395 550 L HN -0.196 nan 8.230 nan 0.000 0.424 551 V N 2.771 122.717 119.914 0.052 0.000 2.432 551 V HA 0.214 4.336 4.120 0.003 0.000 0.275 551 V C 0.829 176.973 176.094 0.083 0.000 1.043 551 V CA 0.007 62.351 62.300 0.072 0.000 0.925 551 V CB 0.943 32.807 31.823 0.068 0.000 0.985 551 V HN 0.841 nan 8.190 nan 0.000 0.466 552 T N 4.136 118.779 114.554 0.148 0.000 3.433 552 T HA -0.119 4.233 4.350 0.003 0.000 0.412 552 T C -1.668 173.057 174.700 0.042 0.000 0.768 552 T CA -0.025 62.212 62.100 0.229 0.000 2.077 552 T CB -1.734 67.303 68.868 0.282 0.000 1.700 552 T HN 0.594 nan 8.240 nan 0.000 0.666 553 P HA 0.255 nan 4.420 nan 0.000 0.276 553 P C 0.907 178.071 177.300 -0.226 0.000 1.235 553 P CA 0.090 63.153 63.100 -0.061 0.000 0.772 553 P CB 1.596 33.305 31.700 0.014 0.000 0.871 554 T N 0.762 115.124 114.554 -0.321 0.000 2.614 554 T HA 0.364 4.716 4.350 0.003 0.000 0.163 554 T C 1.011 175.520 174.700 -0.319 0.000 0.806 554 T CA 0.092 61.905 62.100 -0.478 0.000 1.020 554 T CB -0.810 67.618 68.868 -0.734 0.000 2.539 554 T HN 0.340 nan 8.240 nan 0.000 0.380 555 G N 2.008 110.626 108.800 -0.302 0.000 2.380 555 G HA2 0.487 4.449 3.960 0.003 0.000 0.242 555 G HA3 0.487 4.449 3.960 0.003 0.000 0.242 555 G C -0.961 173.706 174.900 -0.388 0.000 1.298 555 G CA -0.374 44.517 45.100 -0.347 0.000 0.878 555 G HN 0.648 nan 8.290 nan 0.000 0.542 556 K N 0.776 120.719 120.400 -0.762 0.000 2.443 556 K HA 0.489 4.811 4.320 0.003 0.000 0.252 556 K C -1.594 174.422 176.600 -0.973 0.000 0.933 556 K CA -0.481 55.507 56.287 -0.497 0.000 0.792 556 K CB 2.306 34.694 32.500 -0.187 0.000 1.185 556 K HN 0.372 nan 8.250 nan 0.000 0.425 557 F N 1.514 121.426 119.950 -0.064 0.000 2.612 557 F HA 0.235 4.764 4.527 0.003 0.000 0.332 557 F C 0.197 175.796 175.800 -0.335 0.000 1.167 557 F CA -0.969 56.938 58.000 -0.156 0.000 0.970 557 F CB 1.403 40.350 39.000 -0.088 0.000 1.234 557 F HN 0.445 nan 8.300 nan 0.000 0.453 558 N N 2.499 120.902 118.700 -0.495 0.000 2.497 558 N HA 0.070 4.812 4.740 0.003 0.000 0.268 558 N C 1.016 176.375 175.510 -0.252 0.000 1.171 558 N CA 0.041 52.603 53.050 -0.813 0.000 0.948 558 N CB 1.485 39.382 38.487 -0.983 0.000 1.069 558 N HN 0.477 nan 8.380 nan 0.000 0.460 559 V N 4.724 124.539 119.914 -0.164 0.000 2.252 559 V HA -0.292 3.829 4.120 0.003 0.000 0.249 559 V C 1.800 177.915 176.094 0.036 0.000 1.056 559 V CA 1.829 64.124 62.300 -0.008 0.000 1.022 559 V CB -1.079 30.771 31.823 0.045 0.000 0.641 559 V HN 0.750 nan 8.190 nan 0.000 0.445 560 Y N 1.574 121.848 120.300 -0.042 0.000 2.145 560 Y HA -0.224 4.331 4.550 0.007 0.000 0.286 560 Y C 2.538 178.462 175.900 0.040 0.000 1.145 560 Y CA 2.105 60.211 58.100 0.010 0.000 1.148 560 Y CB -0.275 38.196 38.460 0.018 0.000 0.981 560 Y HN 0.310 nan 8.280 nan 0.000 0.507 561 N N -0.947 117.846 118.700 0.155 0.000 2.309 561 N HA -0.120 4.622 4.740 0.003 0.000 0.182 561 N C 1.616 177.197 175.510 0.117 0.000 1.018 561 N CA 1.717 54.861 53.050 0.156 0.000 0.876 561 N CB -0.484 38.133 38.487 0.217 0.000 0.972 561 N HN 0.388 nan 8.380 nan 0.000 0.434 562 T N 1.512 116.115 114.554 0.081 0.000 2.894 562 T HA 0.006 4.357 4.350 0.003 0.000 0.258 562 T C 2.027 176.748 174.700 0.034 0.000 1.043 562 T CA 0.824 62.987 62.100 0.105 0.000 1.141 562 T CB -0.072 68.853 68.868 0.095 0.000 0.873 562 T HN 0.372 nan 8.240 nan 0.000 0.449 563 M N 1.986 121.561 119.600 -0.042 0.000 2.296 563 M HA -0.007 4.475 4.480 0.003 0.000 0.265 563 M C 2.033 178.252 176.300 -0.136 0.000 1.064 563 M CA 1.802 57.052 55.300 -0.083 0.000 1.109 563 M CB -1.007 31.532 32.600 -0.101 0.000 1.396 563 M HN 0.211 nan 8.290 nan 0.000 0.430 564 T N -4.143 110.287 114.554 -0.207 0.000 3.069 564 T HA 0.157 4.509 4.350 0.003 0.000 0.252 564 T C -0.030 174.635 174.700 -0.059 0.000 1.053 564 T CA 0.034 62.018 62.100 -0.193 0.000 0.964 564 T CB -0.236 68.402 68.868 -0.384 0.000 1.005 564 T HN 0.462 nan 8.240 nan 0.000 0.532 565 D N 1.277 121.700 120.400 0.038 0.000 2.699 565 D HA -0.107 4.535 4.640 0.003 0.000 0.239 565 D C -0.743 175.488 176.300 -0.115 0.000 1.136 565 D CA 0.873 54.937 54.000 0.107 0.000 0.668 565 D CB -1.955 38.903 40.800 0.096 0.000 1.060 565 D HN 0.433 nan 8.370 nan 0.000 0.429 566 T N 1.297 115.856 114.554 0.008 0.000 2.811 566 T HA 0.493 4.844 4.350 0.003 0.000 0.309 566 T C -0.006 174.729 174.700 0.059 0.000 1.005 566 T CA -0.410 61.667 62.100 -0.040 0.000 0.955 566 T CB 0.246 69.150 68.868 0.061 0.000 0.970 566 T HN 0.265 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.379 120.300 0.131 0.000 2.660 567 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 567 Y CA 0.000 58.190 58.100 0.150 0.000 1.940 567 Y CB 0.000 38.590 38.460 0.216 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758