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 1zy8_1_D DATA FIRST_RESID 1 DATA SEQUENCE ADQPIDADVT VIGSGPGGYV AAIKAAQLGF KTVCIEKNET LGGTCLNVGC DATA SEQUENCE IPSKALLNNS HYYHMAHGKD FASRGIEMSE VRLNLDKMME QKSTAVKALT DATA SEQUENCE GGIAHLFKQN KVVHVNGYGK ITGKNQVTAT KADGGTQVID TKNILIATGS DATA SEQUENCE EVTPFPGITI DEDTIVSSTG ALSLKKVPEK MVVIGAGVIG VELGSVWQRL DATA SEQUENCE GADVTAVEFL GHVGGVGIDM EISKNFQRIL QKQGFKFKLN TKVTGATKKS DATA SEQUENCE DGKIDVSIEA ASGGKAEVIT CDVLLVCIGR RPFTKNLGLE ELGIELDPRG DATA SEQUENCE RIPVNTRFQT KIPNIYAIGD VVAGPMLAHK AEDEGIICVE GMAGGAVHID DATA SEQUENCE YNCVPSVIYT HPEVAWVGKS EEQLKEEGIE YKVGKFPFAA NSRAKTNADT DATA SEQUENCE DGMVKILGQK STDRVLGAHI LGPGAGEMVN EAALALEYGA SCEDIARVCH DATA SEQUENCE AHPTLSEAFR EANLAASFGK SINF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.587 177.584 0.004 0.000 1.274 1 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1 A CB 0.000 19.004 19.000 0.007 0.000 0.831 2 D N 1.114 121.516 120.400 0.004 0.000 2.389 2 D HA 0.371 5.011 4.640 0.000 0.000 0.247 2 D C 0.046 176.347 176.300 0.003 0.000 1.128 2 D CA 0.315 54.317 54.000 0.002 0.000 0.884 2 D CB 0.546 41.346 40.800 0.001 0.000 1.194 2 D HN 0.398 nan 8.370 nan 0.000 0.441 3 Q N 3.714 123.515 119.800 0.002 0.000 3.646 3 Q HA -0.100 4.240 4.340 0.000 0.000 0.319 3 Q C -1.928 174.074 176.000 0.003 0.000 1.351 3 Q CA 0.095 55.900 55.803 0.003 0.000 0.985 3 Q CB -1.071 27.668 28.738 0.002 0.000 1.010 3 Q HN 0.474 nan 8.270 nan 0.000 0.470 4 P HA -0.031 nan 4.420 nan 0.000 0.260 4 P C 0.411 177.713 177.300 0.003 0.000 1.185 4 P CA 0.303 63.406 63.100 0.004 0.000 0.763 4 P CB 0.106 31.809 31.700 0.005 0.000 0.776 5 I N -0.041 120.530 120.570 0.002 0.000 2.970 5 I HA 0.489 4.659 4.170 0.000 0.000 0.310 5 I C 0.190 176.308 176.117 0.001 0.000 1.010 5 I CA -0.568 60.733 61.300 0.002 0.000 1.228 5 I CB 0.706 38.706 38.000 0.000 0.000 1.433 5 I HN 0.093 nan 8.210 nan 0.000 0.573 6 D N 1.622 122.022 120.400 0.001 0.000 2.269 6 D HA 0.807 5.447 4.640 0.000 0.000 0.244 6 D C -0.896 175.403 176.300 -0.002 0.000 0.992 6 D CA -0.083 53.918 54.000 0.001 0.000 0.894 6 D CB 2.167 42.969 40.800 0.003 0.000 1.248 6 D HN 0.924 nan 8.370 nan 0.000 0.468 7 A N 1.151 123.967 122.820 -0.006 0.000 2.567 7 A HA 0.396 4.716 4.320 0.000 0.000 0.291 7 A C -1.023 176.545 177.584 -0.027 0.000 1.048 7 A CA -0.572 51.458 52.037 -0.012 0.000 0.661 7 A CB 0.935 19.923 19.000 -0.021 0.000 1.288 7 A HN 0.491 nan 8.150 nan 0.000 0.424 8 D N -0.810 119.562 120.400 -0.045 0.000 2.479 8 D HA 0.360 5.000 4.640 0.000 0.000 0.216 8 D C -0.139 176.034 176.300 -0.210 0.000 1.110 8 D CA 0.292 54.229 54.000 -0.104 0.000 0.841 8 D CB 0.776 41.528 40.800 -0.080 0.000 1.040 8 D HN 0.404 nan 8.370 nan 0.000 0.505 9 V N 1.491 121.299 119.914 -0.177 0.000 2.532 9 V HA 0.456 4.576 4.120 0.000 0.000 0.294 9 V C -0.625 175.404 176.094 -0.109 0.000 1.036 9 V CA -0.744 61.435 62.300 -0.202 0.000 0.876 9 V CB 1.623 33.280 31.823 -0.277 0.000 1.012 9 V HN 0.279 nan 8.190 nan 0.000 0.432 10 T N 1.781 116.288 114.554 -0.077 0.000 2.823 10 T HA 0.787 5.137 4.350 0.000 0.000 0.279 10 T C -0.598 174.083 174.700 -0.031 0.000 0.998 10 T CA -0.806 61.267 62.100 -0.044 0.000 0.994 10 T CB 1.965 70.821 68.868 -0.020 0.000 0.960 10 T HN 0.238 nan 8.240 nan 0.000 0.448 11 V N 4.200 124.101 119.914 -0.022 0.000 2.378 11 V HA 0.398 4.518 4.120 0.000 0.000 0.288 11 V C -0.060 176.050 176.094 0.027 0.000 1.016 11 V CA -0.901 61.397 62.300 -0.004 0.000 0.840 11 V CB 1.153 32.969 31.823 -0.010 0.000 0.994 11 V HN 0.874 nan 8.190 nan 0.000 0.431 12 I N 4.968 125.558 120.570 0.033 0.000 2.291 12 I HA 0.715 4.885 4.170 0.000 0.000 0.290 12 I C 0.755 176.898 176.117 0.044 0.000 1.050 12 I CA 0.070 61.394 61.300 0.040 0.000 1.245 12 I CB 0.882 38.904 38.000 0.038 0.000 1.405 12 I HN 0.845 nan 8.210 nan 0.000 0.478 13 G N 3.700 112.533 108.800 0.054 0.000 2.764 13 G HA2 -0.038 3.922 3.960 0.000 0.000 0.678 13 G HA3 -0.038 3.922 3.960 0.000 0.000 0.678 13 G C -0.111 174.846 174.900 0.097 0.000 1.341 13 G CA -0.213 44.919 45.100 0.054 0.000 0.836 13 G HN 0.669 nan 8.290 nan 0.000 0.632 14 S N 0.790 116.549 115.700 0.098 0.000 2.629 14 S HA 0.572 5.042 4.470 0.000 0.000 0.236 14 S C 1.414 176.114 174.600 0.167 0.000 1.010 14 S CA 0.954 59.249 58.200 0.159 0.000 0.981 14 S CB 0.377 63.634 63.200 0.096 0.000 0.919 14 S HN 2.057 nan 8.310 nan 0.000 0.514 15 G N 2.603 111.471 108.800 0.114 0.000 2.661 15 G HA2 0.401 4.361 3.960 0.000 0.000 0.272 15 G HA3 0.401 4.361 3.960 0.000 0.000 0.272 15 G C -2.784 172.248 174.900 0.220 0.000 1.296 15 G CA -1.088 44.090 45.100 0.130 0.000 0.998 15 G HN 0.359 nan 8.290 nan 0.000 0.553 16 P HA 0.260 nan 4.420 nan 0.000 0.271 16 P C 0.933 178.151 177.300 -0.136 0.000 1.218 16 P CA 1.023 64.088 63.100 -0.059 0.000 0.780 16 P CB 1.137 32.834 31.700 -0.006 0.000 0.901 17 G N 2.228 110.871 108.800 -0.263 0.000 4.677 17 G HA2 -0.288 3.672 3.960 0.000 0.000 0.215 17 G HA3 -0.288 3.672 3.960 0.000 0.000 0.215 17 G C 1.321 176.146 174.900 -0.125 0.000 1.506 17 G CA 0.470 45.471 45.100 -0.166 0.000 1.016 17 G HN 0.711 nan 8.290 nan 0.000 0.653 18 G N 0.657 109.432 108.800 -0.042 0.000 2.511 18 G HA2 0.009 3.969 3.960 0.000 0.000 0.216 18 G HA3 0.009 3.969 3.960 0.000 0.000 0.216 18 G C 1.682 176.643 174.900 0.102 0.000 1.218 18 G CA 2.563 47.682 45.100 0.032 0.000 0.788 18 G HN 1.471 nan 8.290 nan 0.000 0.560 19 Y N 0.700 121.058 120.300 0.096 0.000 2.293 19 Y HA 0.114 4.664 4.550 0.000 0.000 0.291 19 Y C 2.460 178.483 175.900 0.205 0.000 1.137 19 Y CA 0.995 59.229 58.100 0.225 0.000 1.202 19 Y CB -0.801 37.693 38.460 0.056 0.000 0.990 19 Y HN 0.023 nan 8.280 nan 0.000 0.537 20 V N 1.331 120.934 119.914 -0.517 0.000 2.407 20 V HA -0.267 3.853 4.120 0.000 0.000 0.248 20 V C 2.828 178.855 176.094 -0.112 0.000 1.055 20 V CA 1.922 63.981 62.300 -0.401 0.000 1.049 20 V CB -1.364 30.155 31.823 -0.506 0.000 0.662 20 V HN 0.652 nan 8.190 nan 0.000 0.455 21 A N -0.395 122.367 122.820 -0.098 0.000 1.968 21 A HA 0.011 4.331 4.320 0.000 0.000 0.217 21 A C 2.395 179.963 177.584 -0.026 0.000 1.169 21 A CA 1.682 53.675 52.037 -0.073 0.000 0.638 21 A CB -0.587 18.355 19.000 -0.098 0.000 0.812 21 A HN 0.539 nan 8.150 nan 0.000 0.446 22 A N 0.688 123.515 122.820 0.012 0.000 1.845 22 A HA -0.112 4.208 4.320 0.000 0.000 0.215 22 A C 1.973 179.543 177.584 -0.024 0.000 1.195 22 A CA 1.640 53.645 52.037 -0.053 0.000 0.616 22 A CB -0.628 18.255 19.000 -0.195 0.000 0.832 22 A HN 0.423 nan 8.150 nan 0.000 0.443 23 I N -0.410 120.214 120.570 0.090 0.000 2.315 23 I HA -0.233 3.937 4.170 0.000 0.000 0.251 23 I C 2.331 178.464 176.117 0.028 0.000 1.125 23 I CA 2.115 63.471 61.300 0.093 0.000 1.392 23 I CB -0.950 37.157 38.000 0.179 0.000 1.065 23 I HN 0.307 nan 8.210 nan 0.000 0.424 24 K N 1.351 121.757 120.400 0.009 0.000 2.166 24 K HA 0.138 4.458 4.320 0.000 0.000 0.201 24 K C 2.102 178.705 176.600 0.005 0.000 1.052 24 K CA 1.226 57.509 56.287 -0.008 0.000 0.969 24 K CB -0.209 32.275 32.500 -0.026 0.000 0.761 24 K HN 0.181 nan 8.250 nan 0.000 0.459 25 A N 0.753 123.604 122.820 0.051 0.000 1.872 25 A HA 0.044 4.364 4.320 0.000 0.000 0.214 25 A C 2.355 180.000 177.584 0.101 0.000 1.187 25 A CA 1.775 53.924 52.037 0.187 0.000 0.614 25 A CB -1.113 18.034 19.000 0.246 0.000 0.826 25 A HN 0.343 nan 8.150 nan 0.000 0.442 26 A N -0.429 122.414 122.820 0.039 0.000 1.896 26 A HA -0.339 3.981 4.320 0.000 0.000 0.220 26 A C 2.114 179.675 177.584 -0.039 0.000 1.206 26 A CA 2.133 54.168 52.037 -0.003 0.000 0.647 26 A CB -0.808 18.175 19.000 -0.028 0.000 0.828 26 A HN 0.655 nan 8.150 nan 0.000 0.455 27 Q N -1.327 118.447 119.800 -0.042 0.000 2.224 27 Q HA -0.051 4.289 4.340 0.000 0.000 0.203 27 Q C 1.623 177.555 176.000 -0.114 0.000 0.970 27 Q CA 0.777 56.543 55.803 -0.062 0.000 0.865 27 Q CB -0.140 28.573 28.738 -0.042 0.000 0.922 27 Q HN 0.484 nan 8.270 nan 0.000 0.445 28 L N -1.322 119.797 121.223 -0.174 0.000 2.395 28 L HA 0.058 4.398 4.340 0.000 0.000 0.218 28 L C 1.420 178.039 176.870 -0.418 0.000 1.130 28 L CA 1.738 56.391 54.840 -0.312 0.000 0.826 28 L CB -0.588 41.211 42.059 -0.433 0.000 0.941 28 L HN 0.404 nan 8.230 nan 0.000 0.451 29 G N -2.163 106.440 108.800 -0.329 0.000 2.154 29 G HA2 -0.231 3.729 3.960 0.000 0.000 0.186 29 G HA3 -0.231 3.729 3.960 0.000 0.000 0.186 29 G C 0.022 174.806 174.900 -0.195 0.000 1.000 29 G CA -0.594 44.359 45.100 -0.246 0.000 0.664 29 G HN 0.082 nan 8.290 nan 0.000 0.513 30 F N 1.623 121.550 119.950 -0.038 0.000 2.410 30 F HA 0.473 5.000 4.527 0.000 0.000 0.348 30 F C 1.136 176.910 175.800 -0.044 0.000 1.106 30 F CA -1.186 56.790 58.000 -0.040 0.000 1.163 30 F CB 1.128 40.097 39.000 -0.052 0.000 1.129 30 F HN -0.075 nan 8.300 nan 0.000 0.516 31 K N 2.157 122.656 120.400 0.165 0.000 2.405 31 K HA 0.022 4.342 4.320 0.000 0.000 0.276 31 K C -0.016 176.610 176.600 0.044 0.000 1.099 31 K CA 0.512 56.843 56.287 0.072 0.000 1.120 31 K CB 0.033 32.559 32.500 0.045 0.000 0.877 31 K HN 0.785 nan 8.250 nan 0.000 0.472 32 T N 2.295 116.853 114.554 0.007 0.000 2.912 32 T HA 0.481 4.831 4.350 0.000 0.000 0.299 32 T C -1.368 173.284 174.700 -0.081 0.000 1.052 32 T CA -0.791 61.288 62.100 -0.036 0.000 0.996 32 T CB 1.311 70.167 68.868 -0.021 0.000 1.070 32 T HN 0.364 nan 8.240 nan 0.000 0.465 33 V N 2.922 122.787 119.914 -0.082 0.000 2.962 33 V HA 0.860 4.980 4.120 0.000 0.000 0.313 33 V C -1.067 174.981 176.094 -0.077 0.000 1.099 33 V CA -0.806 61.444 62.300 -0.084 0.000 0.971 33 V CB 1.575 33.377 31.823 -0.035 0.000 1.028 33 V HN 1.123 nan 8.190 nan 0.000 0.430 34 C N 7.070 126.338 119.300 -0.053 0.000 2.316 34 C HA 0.677 5.138 4.460 0.000 0.000 0.324 34 C C -0.506 174.580 174.990 0.159 0.000 1.226 34 C CA -0.709 58.324 59.018 0.026 0.000 1.450 34 C CB -0.272 27.454 27.740 -0.024 0.000 2.123 34 C HN 0.794 nan 8.230 nan 0.000 0.454 35 I N 5.012 125.652 120.570 0.116 0.000 2.342 35 I HA 0.447 4.617 4.170 0.000 0.000 0.291 35 I C 0.061 176.259 176.117 0.135 0.000 1.010 35 I CA 0.293 61.665 61.300 0.121 0.000 1.308 35 I CB 1.133 39.173 38.000 0.067 0.000 1.400 35 I HN 0.675 nan 8.210 nan 0.000 0.488 36 E N 5.640 125.947 120.200 0.178 0.000 2.260 36 E HA 0.286 4.636 4.350 0.000 0.000 0.266 36 E C 0.258 176.916 176.600 0.095 0.000 0.887 36 E CA -0.709 55.769 56.400 0.129 0.000 0.777 36 E CB 1.481 31.281 29.700 0.167 0.000 1.205 36 E HN 0.572 nan 8.360 nan 0.000 0.414 37 K N 2.699 123.102 120.400 0.006 0.000 2.366 37 K HA 0.130 4.450 4.320 0.000 0.000 0.198 37 K C 0.081 176.701 176.600 0.033 0.000 1.044 37 K CA 0.345 56.636 56.287 0.007 0.000 0.973 37 K CB 0.026 32.461 32.500 -0.109 0.000 0.767 37 K HN 0.315 nan 8.250 nan 0.000 0.475 38 N N 1.257 119.966 118.700 0.016 0.000 2.463 38 N HA 0.017 4.757 4.740 0.000 0.000 0.270 38 N C 0.329 175.861 175.510 0.038 0.000 1.205 38 N CA -0.507 52.552 53.050 0.015 0.000 0.974 38 N CB 0.918 39.393 38.487 -0.019 0.000 1.197 38 N HN 0.156 nan 8.380 nan 0.000 0.504 39 E N -0.210 120.007 120.200 0.027 0.000 2.097 39 E HA -0.153 4.197 4.350 0.000 0.000 0.196 39 E C 0.510 177.130 176.600 0.033 0.000 1.000 39 E CA 1.143 57.564 56.400 0.036 0.000 0.804 39 E CB -0.232 29.480 29.700 0.019 0.000 0.740 39 E HN 0.641 nan 8.360 nan 0.000 0.454 40 T N -0.841 113.709 114.554 -0.007 0.000 2.949 40 T HA 0.605 4.955 4.350 0.000 0.000 0.287 40 T C 0.335 174.980 174.700 -0.092 0.000 1.034 40 T CA -0.939 61.130 62.100 -0.051 0.000 1.018 40 T CB 1.646 70.474 68.868 -0.067 0.000 1.135 40 T HN -0.073 nan 8.240 nan 0.000 0.532 41 L N 0.150 121.263 121.223 -0.183 0.000 2.488 41 L HA 0.656 4.996 4.340 0.000 0.000 0.249 41 L C 1.774 178.509 176.870 -0.224 0.000 1.151 41 L CA -0.374 54.318 54.840 -0.248 0.000 0.806 41 L CB 0.035 41.817 42.059 -0.461 0.000 1.261 41 L HN 1.100 nan 8.230 nan 0.000 0.484 42 G N -1.110 107.560 108.800 -0.217 0.000 2.194 42 G HA2 -0.028 3.932 3.960 0.000 0.000 0.236 42 G HA3 -0.028 3.932 3.960 0.000 0.000 0.236 42 G C 0.676 175.561 174.900 -0.024 0.000 0.987 42 G CA 0.066 45.081 45.100 -0.141 0.000 0.635 42 G HN 1.425 nan 8.290 nan 0.000 0.520 43 G N -0.753 108.030 108.800 -0.027 0.000 2.578 43 G HA2 0.007 3.967 3.960 0.000 0.000 0.284 43 G HA3 0.007 3.967 3.960 0.000 0.000 0.284 43 G C 1.509 176.392 174.900 -0.027 0.000 1.283 43 G CA 2.590 47.680 45.100 -0.016 0.000 0.944 43 G HN 2.081 nan 8.290 nan 0.000 0.558 44 T N -2.285 112.255 114.554 -0.024 0.000 2.732 44 T HA -0.124 4.226 4.350 0.000 0.000 0.261 44 T C 2.634 177.324 174.700 -0.017 0.000 1.040 44 T CA 2.773 64.856 62.100 -0.029 0.000 1.145 44 T CB -1.056 67.793 68.868 -0.032 0.000 0.866 44 T HN 1.903 nan 8.240 nan 0.000 0.427 45 C N 1.149 120.447 119.300 -0.004 0.000 2.288 45 C HA -0.207 4.253 4.460 0.000 0.000 0.260 45 C C 2.537 177.518 174.990 -0.015 0.000 1.094 45 C CA 1.826 60.844 59.018 -0.000 0.000 1.822 45 C CB -1.782 25.972 27.740 0.024 0.000 2.004 45 C HN 0.711 nan 8.230 nan 0.000 0.420 46 L N 1.531 122.744 121.223 -0.017 0.000 2.095 46 L HA 0.088 4.428 4.340 0.000 0.000 0.204 46 L C 2.267 179.109 176.870 -0.046 0.000 1.080 46 L CA 2.153 56.970 54.840 -0.039 0.000 0.759 46 L CB -1.196 40.827 42.059 -0.060 0.000 0.914 46 L HN 0.485 nan 8.230 nan 0.000 0.439 47 N N -0.469 118.204 118.700 -0.044 0.000 2.251 47 N HA -0.030 4.710 4.740 0.000 0.000 0.181 47 N C 1.322 176.815 175.510 -0.029 0.000 1.019 47 N CA 1.843 54.868 53.050 -0.041 0.000 0.862 47 N CB 0.388 38.848 38.487 -0.045 0.000 0.992 47 N HN 0.445 nan 8.380 nan 0.000 0.429 48 V N -3.953 115.947 119.914 -0.025 0.000 3.337 48 V HA 0.561 4.681 4.120 0.000 0.000 0.307 48 V C 0.862 176.952 176.094 -0.006 0.000 1.505 48 V CA 0.030 62.322 62.300 -0.013 0.000 1.072 48 V CB 0.523 32.339 31.823 -0.012 0.000 0.929 48 V HN 0.111 nan 8.190 nan 0.000 0.455 49 G N -0.766 108.026 108.800 -0.014 0.000 3.306 49 G HA2 0.131 4.091 3.960 0.000 0.000 0.202 49 G HA3 0.131 4.091 3.960 0.000 0.000 0.202 49 G C 1.082 175.966 174.900 -0.026 0.000 1.673 49 G CA 0.661 45.756 45.100 -0.009 0.000 0.776 49 G HN 0.143 nan 8.290 nan 0.000 0.740 50 C N 0.184 119.462 119.300 -0.036 0.000 2.303 50 C HA -0.163 4.297 4.460 0.000 0.000 0.273 50 C C 2.871 177.791 174.990 -0.117 0.000 1.154 50 C CA 1.379 60.346 59.018 -0.084 0.000 1.784 50 C CB -1.090 26.609 27.740 -0.068 0.000 1.993 50 C HN 0.397 nan 8.230 nan 0.000 0.430 51 I N 1.724 122.241 120.570 -0.088 0.000 2.076 51 I HA -0.109 4.061 4.170 0.000 0.000 0.237 51 I C -0.096 175.970 176.117 -0.084 0.000 1.059 51 I CA 1.954 63.200 61.300 -0.091 0.000 1.317 51 I CB -3.075 34.887 38.000 -0.063 0.000 1.037 51 I HN 0.262 nan 8.210 nan 0.000 0.398 52 P HA -0.162 nan 4.420 nan 0.000 0.216 52 P C 2.054 179.318 177.300 -0.059 0.000 1.157 52 P CA 2.553 65.625 63.100 -0.047 0.000 0.880 52 P CB -0.188 31.496 31.700 -0.026 0.000 0.791 53 S N -0.905 114.758 115.700 -0.061 0.000 2.382 53 S HA -0.158 4.312 4.470 0.000 0.000 0.228 53 S C 1.815 176.352 174.600 -0.106 0.000 1.027 53 S CA 1.018 59.178 58.200 -0.067 0.000 0.991 53 S CB -0.929 62.247 63.200 -0.040 0.000 0.823 53 S HN 0.046 nan 8.310 nan 0.000 0.469 54 K N 2.529 122.833 120.400 -0.160 0.000 2.002 54 K HA 0.137 4.457 4.320 0.000 0.000 0.209 54 K C 2.614 179.147 176.600 -0.112 0.000 1.048 54 K CA 1.394 57.567 56.287 -0.190 0.000 0.930 54 K CB -1.524 30.801 32.500 -0.291 0.000 0.714 54 K HN 0.462 nan 8.250 nan 0.000 0.438 55 A N 2.032 124.797 122.820 -0.091 0.000 1.929 55 A HA -0.216 4.104 4.320 0.000 0.000 0.221 55 A C 2.357 179.904 177.584 -0.062 0.000 1.211 55 A CA 1.905 53.908 52.037 -0.057 0.000 0.657 55 A CB -0.840 18.131 19.000 -0.049 0.000 0.827 55 A HN 0.237 nan 8.150 nan 0.000 0.462 56 L N -1.545 119.621 121.223 -0.095 0.000 2.162 56 L HA -0.055 4.285 4.340 0.000 0.000 0.205 56 L C 2.519 179.303 176.870 -0.142 0.000 1.086 56 L CA 0.737 55.491 54.840 -0.144 0.000 0.778 56 L CB -0.530 41.401 42.059 -0.213 0.000 0.928 56 L HN 0.358 nan 8.230 nan 0.000 0.446 57 L N -0.045 121.113 121.223 -0.109 0.000 2.083 57 L HA -0.222 4.118 4.340 0.000 0.000 0.209 57 L C 2.426 179.260 176.870 -0.060 0.000 1.083 57 L CA 1.380 56.176 54.840 -0.074 0.000 0.752 57 L CB -0.711 41.334 42.059 -0.023 0.000 0.899 57 L HN 0.386 nan 8.230 nan 0.000 0.433 58 N N -0.071 118.587 118.700 -0.069 0.000 2.188 58 N HA -0.184 4.556 4.740 0.000 0.000 0.184 58 N C 1.583 177.043 175.510 -0.084 0.000 1.018 58 N CA 1.099 54.086 53.050 -0.106 0.000 0.858 58 N CB 0.091 38.541 38.487 -0.061 0.000 0.989 58 N HN 0.355 nan 8.380 nan 0.000 0.426 59 N N 0.411 119.115 118.700 0.007 0.000 2.250 59 N HA -0.079 4.661 4.740 0.000 0.000 0.181 59 N C 1.915 177.479 175.510 0.090 0.000 1.017 59 N CA 1.130 54.241 53.050 0.102 0.000 0.866 59 N CB -0.231 38.281 38.487 0.041 0.000 0.985 59 N HN 0.364 nan 8.380 nan 0.000 0.429 60 S N -0.217 115.482 115.700 -0.002 0.000 2.387 60 S HA -0.127 4.343 4.470 0.000 0.000 0.226 60 S C 1.927 176.596 174.600 0.115 0.000 1.026 60 S CA 0.917 59.123 58.200 0.010 0.000 0.972 60 S CB -0.528 62.596 63.200 -0.127 0.000 0.814 60 S HN 0.413 nan 8.310 nan 0.000 0.477 61 H N 0.899 119.927 119.070 -0.070 0.000 2.319 61 H HA -0.110 4.446 4.556 0.000 0.000 0.299 61 H C 1.741 177.046 175.328 -0.038 0.000 1.092 61 H CA 2.178 58.159 56.048 -0.112 0.000 1.302 61 H CB -0.880 28.708 29.762 -0.290 0.000 1.373 61 H HN 0.415 nan 8.280 nan 0.000 0.497 62 Y N -0.500 119.717 120.300 -0.139 0.000 2.128 62 Y HA -0.262 4.288 4.550 0.000 0.000 0.284 62 Y C 2.599 178.360 175.900 -0.231 0.000 1.154 62 Y CA 1.551 59.506 58.100 -0.241 0.000 1.149 62 Y CB -1.443 36.970 38.460 -0.078 0.000 0.976 62 Y HN 0.365 nan 8.280 nan 0.000 0.505 63 Y N -0.259 120.036 120.300 -0.008 0.000 2.193 63 Y HA -0.324 4.226 4.550 0.000 0.000 0.285 63 Y C 2.745 178.607 175.900 -0.062 0.000 1.166 63 Y CA 2.250 60.313 58.100 -0.061 0.000 1.181 63 Y CB -0.526 37.903 38.460 -0.052 0.000 0.976 63 Y HN 0.274 nan 8.280 nan 0.000 0.520 64 H N -0.918 118.112 119.070 -0.066 0.000 2.470 64 H HA -0.041 4.515 4.556 0.000 0.000 0.289 64 H C 1.942 177.134 175.328 -0.228 0.000 1.033 64 H CA 1.819 57.811 56.048 -0.094 0.000 1.331 64 H CB -0.083 29.682 29.762 0.004 0.000 1.414 64 H HN 0.367 nan 8.280 nan 0.000 0.545 65 M N -0.963 118.414 119.600 -0.372 0.000 2.236 65 M HA 0.034 4.514 4.480 0.000 0.000 0.266 65 M C 2.468 178.319 176.300 -0.748 0.000 1.070 65 M CA 1.194 56.186 55.300 -0.514 0.000 1.137 65 M CB 0.136 32.404 32.600 -0.552 0.000 1.378 65 M HN 0.421 nan 8.290 nan 0.000 0.426 66 A N -1.048 121.243 122.820 -0.881 0.000 1.929 66 A HA -0.175 4.145 4.320 0.000 0.000 0.216 66 A C 2.001 179.306 177.584 -0.464 0.000 1.176 66 A CA 1.366 52.886 52.037 -0.862 0.000 0.628 66 A CB -0.852 17.758 19.000 -0.650 0.000 0.816 66 A HN 0.539 nan 8.150 nan 0.000 0.444 67 H N -0.507 118.185 119.070 -0.630 0.000 2.451 67 H HA 0.109 4.665 4.556 0.000 0.000 0.294 67 H C 1.609 176.715 175.328 -0.370 0.000 1.028 67 H CA 1.066 56.795 56.048 -0.531 0.000 1.349 67 H CB -0.076 29.191 29.762 -0.824 0.000 1.444 67 H HN 0.422 nan 8.280 nan 0.000 0.538 68 G N 0.488 109.068 108.800 -0.366 0.000 2.803 68 G HA2 -0.044 3.916 3.960 0.000 0.000 0.177 68 G HA3 -0.044 3.916 3.960 0.000 0.000 0.177 68 G C 0.761 175.514 174.900 -0.246 0.000 1.629 68 G CA 0.229 45.113 45.100 -0.360 0.000 1.077 68 G HN 0.248 nan 8.290 nan 0.000 0.556 69 K N -0.683 119.611 120.400 -0.176 0.000 2.374 69 K HA 0.140 4.460 4.320 0.000 0.000 0.202 69 K C 1.488 178.074 176.600 -0.023 0.000 1.040 69 K CA 0.547 56.787 56.287 -0.079 0.000 1.085 69 K CB 0.049 32.524 32.500 -0.041 0.000 0.873 69 K HN 0.381 nan 8.250 nan 0.000 0.539 70 D N -0.051 120.329 120.400 -0.033 0.000 2.087 70 D HA -0.180 4.460 4.640 0.000 0.000 0.192 70 D C 1.063 177.496 176.300 0.220 0.000 0.993 70 D CA 1.281 55.329 54.000 0.080 0.000 0.828 70 D CB 0.114 40.957 40.800 0.071 0.000 0.968 70 D HN 0.203 nan 8.370 nan 0.000 0.448 71 F N 1.172 121.072 119.950 -0.083 0.000 2.234 71 F HA 0.038 4.565 4.527 0.000 0.000 0.299 71 F C 2.479 178.241 175.800 -0.063 0.000 1.087 71 F CA 0.565 58.522 58.000 -0.071 0.000 1.340 71 F CB -1.027 37.921 39.000 -0.087 0.000 1.031 71 F HN -0.039 nan 8.300 nan 0.000 0.500 72 A N -0.420 122.469 122.820 0.116 0.000 1.969 72 A HA -0.158 4.162 4.320 0.000 0.000 0.218 72 A C 2.314 179.908 177.584 0.016 0.000 1.169 72 A CA 1.807 53.865 52.037 0.034 0.000 0.635 72 A CB -1.020 17.980 19.000 -0.000 0.000 0.810 72 A HN 0.363 nan 8.150 nan 0.000 0.445 73 S N -0.502 115.214 115.700 0.026 0.000 2.561 73 S HA -0.010 4.460 4.470 0.000 0.000 0.225 73 S C 1.427 176.027 174.600 0.001 0.000 0.977 73 S CA 0.544 58.753 58.200 0.014 0.000 0.926 73 S CB -0.275 62.940 63.200 0.025 0.000 0.769 73 S HN 0.615 nan 8.310 nan 0.000 0.533 74 R N 0.485 120.975 120.500 -0.017 0.000 2.359 74 R HA 0.378 4.718 4.340 0.000 0.000 0.231 74 R C 1.407 177.657 176.300 -0.082 0.000 0.913 74 R CA 0.331 56.395 56.100 -0.059 0.000 1.075 74 R CB -0.009 30.225 30.300 -0.109 0.000 1.087 74 R HN 0.488 nan 8.270 nan 0.000 0.515 75 G N 1.508 110.273 108.800 -0.058 0.000 2.159 75 G HA2 -0.265 3.695 3.960 0.000 0.000 0.256 75 G HA3 -0.265 3.695 3.960 0.000 0.000 0.256 75 G C 0.167 175.019 174.900 -0.079 0.000 0.977 75 G CA -0.304 44.761 45.100 -0.059 0.000 0.652 75 G HN 0.285 nan 8.290 nan 0.000 0.531 76 I N 1.276 121.781 120.570 -0.109 0.000 2.281 76 I HA 0.375 4.545 4.170 0.000 0.000 0.293 76 I C 0.126 176.231 176.117 -0.019 0.000 1.085 76 I CA -0.404 60.828 61.300 -0.113 0.000 1.257 76 I CB 0.990 38.817 38.000 -0.289 0.000 1.430 76 I HN -0.003 nan 8.210 nan 0.000 0.489 77 E N 6.144 126.333 120.200 -0.018 0.000 2.134 77 E HA 0.565 4.915 4.350 0.000 0.000 0.278 77 E C -0.936 175.664 176.600 0.001 0.000 0.959 77 E CA -0.300 56.096 56.400 -0.006 0.000 0.783 77 E CB 1.441 31.132 29.700 -0.016 0.000 1.095 77 E HN 0.387 nan 8.360 nan 0.000 0.399 78 M N 1.636 121.237 119.600 0.001 0.000 2.464 78 M HA 0.304 4.784 4.480 0.000 0.000 0.308 78 M C 0.855 177.145 176.300 -0.016 0.000 1.127 78 M CA -0.249 55.050 55.300 -0.001 0.000 0.913 78 M CB 2.187 34.789 32.600 0.004 0.000 1.689 78 M HN 0.390 nan 8.290 nan 0.000 0.445 79 S N 0.455 116.149 115.700 -0.011 0.000 2.345 79 S HA 0.022 4.492 4.470 0.000 0.000 0.220 79 S C 0.211 174.799 174.600 -0.019 0.000 1.031 79 S CA 1.042 59.234 58.200 -0.014 0.000 0.996 79 S CB 0.101 63.297 63.200 -0.006 0.000 0.882 79 S HN 0.706 nan 8.310 nan 0.000 0.445 80 E N 0.205 120.399 120.200 -0.010 0.000 2.308 80 E HA 0.455 4.805 4.350 0.000 0.000 0.275 80 E C -1.977 174.630 176.600 0.011 0.000 0.890 80 E CA -0.344 56.054 56.400 -0.002 0.000 0.754 80 E CB 2.091 31.801 29.700 0.017 0.000 1.207 80 E HN -0.054 nan 8.360 nan 0.000 0.426 81 V N 4.330 124.258 119.914 0.024 0.000 2.384 81 V HA 0.505 4.625 4.120 0.000 0.000 0.287 81 V C -0.214 175.989 176.094 0.181 0.000 1.020 81 V CA -0.637 61.698 62.300 0.058 0.000 0.850 81 V CB 1.354 33.164 31.823 -0.022 0.000 0.987 81 V HN 0.553 nan 8.190 nan 0.000 0.436 82 R N 3.284 123.887 120.500 0.171 0.000 2.873 82 R HA 0.654 4.994 4.340 0.000 0.000 0.264 82 R C -1.156 175.296 176.300 0.252 0.000 1.026 82 R CA -0.958 55.260 56.100 0.197 0.000 1.002 82 R CB 1.777 32.143 30.300 0.110 0.000 1.174 82 R HN 0.619 nan 8.270 nan 0.000 0.488 83 L N 1.923 123.239 121.223 0.155 0.000 2.365 83 L HA 0.524 4.864 4.340 0.000 0.000 0.273 83 L C -0.963 175.901 176.870 -0.010 0.000 1.000 83 L CA -0.479 54.368 54.840 0.012 0.000 0.819 83 L CB 1.799 43.703 42.059 -0.258 0.000 1.284 83 L HN 0.546 nan 8.230 nan 0.000 0.418 84 N N 5.149 123.839 118.700 -0.017 0.000 2.746 84 N HA 0.191 4.931 4.740 0.000 0.000 0.250 84 N C 0.588 176.086 175.510 -0.020 0.000 1.146 84 N CA -0.313 52.733 53.050 -0.007 0.000 0.828 84 N CB 0.968 39.462 38.487 0.011 0.000 1.158 84 N HN 0.748 nan 8.380 nan 0.000 0.519 85 L N 1.147 122.356 121.223 -0.023 0.000 2.042 85 L HA -0.199 4.141 4.340 0.000 0.000 0.210 85 L C 1.240 178.112 176.870 0.003 0.000 1.076 85 L CA 1.298 56.131 54.840 -0.011 0.000 0.749 85 L CB -0.054 42.026 42.059 0.035 0.000 0.893 85 L HN 0.411 nan 8.230 nan 0.000 0.432 86 D N -0.072 120.332 120.400 0.007 0.000 2.160 86 D HA -0.281 4.359 4.640 0.000 0.000 0.189 86 D C 2.080 178.382 176.300 0.002 0.000 1.003 86 D CA 1.530 55.534 54.000 0.007 0.000 0.846 86 D CB -0.143 40.660 40.800 0.005 0.000 0.949 86 D HN 0.033 nan 8.370 nan 0.000 0.446 87 K N 0.105 120.505 120.400 0.001 0.000 2.032 87 K HA -0.055 4.265 4.320 0.000 0.000 0.209 87 K C 2.135 178.734 176.600 -0.003 0.000 1.048 87 K CA 1.004 57.291 56.287 0.001 0.000 0.927 87 K CB -0.429 32.074 32.500 0.005 0.000 0.712 87 K HN 0.156 nan 8.250 nan 0.000 0.441 88 M N -0.631 118.962 119.600 -0.012 0.000 2.132 88 M HA -0.138 4.342 4.480 0.000 0.000 0.263 88 M C 1.514 177.800 176.300 -0.023 0.000 1.065 88 M CA 1.435 56.721 55.300 -0.023 0.000 1.122 88 M CB 0.038 32.604 32.600 -0.057 0.000 1.365 88 M HN 0.144 nan 8.290 nan 0.000 0.411 89 M N -0.518 119.074 119.600 -0.013 0.000 2.460 89 M HA -0.132 4.348 4.480 0.000 0.000 0.263 89 M C 1.569 177.867 176.300 -0.003 0.000 1.071 89 M CA 1.360 56.658 55.300 -0.003 0.000 1.096 89 M CB -0.982 31.632 32.600 0.022 0.000 1.408 89 M HN 0.378 nan 8.290 nan 0.000 0.463 90 E N 0.397 120.595 120.200 -0.003 0.000 2.033 90 E HA -0.225 4.125 4.350 0.000 0.000 0.189 90 E C 1.913 178.510 176.600 -0.006 0.000 0.979 90 E CA 1.143 57.541 56.400 -0.004 0.000 0.802 90 E CB -0.032 29.666 29.700 -0.002 0.000 0.763 90 E HN 0.429 nan 8.360 nan 0.000 0.449 91 Q N 2.071 121.868 119.800 -0.004 0.000 2.133 91 Q HA -0.264 4.076 4.340 0.000 0.000 0.208 91 Q C 1.856 177.852 176.000 -0.007 0.000 0.991 91 Q CA 2.112 57.914 55.803 -0.002 0.000 0.867 91 Q CB -0.269 28.473 28.738 0.006 0.000 0.911 91 Q HN 0.059 nan 8.270 nan 0.000 0.417 92 K N -0.228 120.164 120.400 -0.013 0.000 1.991 92 K HA -0.151 4.169 4.320 0.000 0.000 0.212 92 K C 2.164 178.753 176.600 -0.019 0.000 1.049 92 K CA 1.861 58.137 56.287 -0.019 0.000 0.932 92 K CB -0.427 32.059 32.500 -0.025 0.000 0.717 92 K HN 0.342 nan 8.250 nan 0.000 0.441 93 S N 0.460 116.152 115.700 -0.015 0.000 2.370 93 S HA -0.139 4.331 4.470 0.000 0.000 0.226 93 S C 1.930 176.518 174.600 -0.020 0.000 1.033 93 S CA 1.896 60.087 58.200 -0.016 0.000 1.011 93 S CB -0.567 62.627 63.200 -0.011 0.000 0.852 93 S HN 0.477 nan 8.310 nan 0.000 0.457 94 T N 2.394 116.938 114.554 -0.016 0.000 2.653 94 T HA -0.198 4.152 4.350 0.000 0.000 0.268 94 T C 2.095 176.780 174.700 -0.024 0.000 1.035 94 T CA 1.522 63.611 62.100 -0.018 0.000 1.154 94 T CB -0.585 68.275 68.868 -0.013 0.000 0.862 94 T HN 0.518 nan 8.240 nan 0.000 0.441 95 A N 0.747 123.553 122.820 -0.023 0.000 1.873 95 A HA -0.022 4.298 4.320 0.000 0.000 0.215 95 A C 2.611 180.173 177.584 -0.037 0.000 1.186 95 A CA 1.442 53.463 52.037 -0.027 0.000 0.616 95 A CB -0.985 18.001 19.000 -0.024 0.000 0.823 95 A HN 0.353 nan 8.150 nan 0.000 0.442 96 V N 0.680 120.572 119.914 -0.037 0.000 2.233 96 V HA -0.316 3.804 4.120 0.000 0.000 0.247 96 V C 2.579 178.641 176.094 -0.053 0.000 1.050 96 V CA 2.412 64.685 62.300 -0.046 0.000 1.010 96 V CB -0.749 31.050 31.823 -0.040 0.000 0.637 96 V HN 0.606 nan 8.190 nan 0.000 0.444 97 K N 0.080 120.453 120.400 -0.044 0.000 2.074 97 K HA -0.258 4.062 4.320 0.000 0.000 0.209 97 K C 2.216 178.783 176.600 -0.055 0.000 1.048 97 K CA 1.847 58.106 56.287 -0.047 0.000 0.926 97 K CB -0.408 32.070 32.500 -0.036 0.000 0.713 97 K HN 0.450 nan 8.250 nan 0.000 0.444 98 A N 1.450 124.241 122.820 -0.049 0.000 1.851 98 A HA -0.172 4.148 4.320 0.000 0.000 0.216 98 A C 2.242 179.788 177.584 -0.064 0.000 1.195 98 A CA 1.642 53.649 52.037 -0.051 0.000 0.622 98 A CB -0.768 18.208 19.000 -0.039 0.000 0.831 98 A HN 0.326 nan 8.150 nan 0.000 0.444 99 L N -1.013 120.169 121.223 -0.069 0.000 2.131 99 L HA -0.132 4.208 4.340 0.000 0.000 0.210 99 L C 2.800 179.582 176.870 -0.146 0.000 1.092 99 L CA 1.668 56.452 54.840 -0.092 0.000 0.759 99 L CB -0.688 41.321 42.059 -0.084 0.000 0.903 99 L HN 0.535 nan 8.230 nan 0.000 0.435 100 T N -0.593 113.880 114.554 -0.135 0.000 2.857 100 T HA -0.054 4.296 4.350 0.000 0.000 0.266 100 T C 1.843 176.440 174.700 -0.172 0.000 1.048 100 T CA 1.261 63.256 62.100 -0.175 0.000 1.139 100 T CB -0.204 68.585 68.868 -0.132 0.000 0.874 100 T HN 0.456 nan 8.240 nan 0.000 0.455 101 G N 0.119 108.849 108.800 -0.117 0.000 2.408 101 G HA2 0.024 3.984 3.960 0.000 0.000 0.217 101 G HA3 0.024 3.984 3.960 0.000 0.000 0.217 101 G C 1.702 176.549 174.900 -0.088 0.000 1.150 101 G CA 0.863 45.908 45.100 -0.091 0.000 0.776 101 G HN 0.586 nan 8.290 nan 0.000 0.542 102 G N 1.078 109.820 108.800 -0.096 0.000 2.440 102 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 102 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 102 G C 1.756 176.588 174.900 -0.113 0.000 1.154 102 G CA 0.843 45.910 45.100 -0.056 0.000 0.767 102 G HN 0.443 nan 8.290 nan 0.000 0.552 103 I N 1.180 121.570 120.570 -0.300 0.000 2.286 103 I HA -0.085 4.085 4.170 0.000 0.000 0.245 103 I C 3.279 179.059 176.117 -0.561 0.000 1.104 103 I CA 0.758 61.730 61.300 -0.548 0.000 1.397 103 I CB -0.169 37.315 38.000 -0.860 0.000 1.072 103 I HN 0.240 nan 8.210 nan 0.000 0.417 104 A N 0.407 122.981 122.820 -0.410 0.000 1.892 104 A HA -0.350 3.970 4.320 0.000 0.000 0.218 104 A C 2.205 179.773 177.584 -0.027 0.000 1.188 104 A CA 2.385 54.277 52.037 -0.241 0.000 0.631 104 A CB -1.063 17.863 19.000 -0.123 0.000 0.822 104 A HN 0.540 nan 8.150 nan 0.000 0.447 105 H N -0.242 118.770 119.070 -0.097 0.000 2.319 105 H HA -0.143 4.413 4.556 0.000 0.000 0.297 105 H C 1.648 176.982 175.328 0.010 0.000 1.097 105 H CA 2.202 58.231 56.048 -0.032 0.000 1.285 105 H CB -0.433 29.302 29.762 -0.044 0.000 1.368 105 H HN 0.286 nan 8.280 nan 0.000 0.495 106 L N -0.649 120.473 121.223 -0.169 0.000 2.046 106 L HA -0.146 4.194 4.340 0.000 0.000 0.208 106 L C 2.373 179.297 176.870 0.089 0.000 1.077 106 L CA 1.230 55.987 54.840 -0.139 0.000 0.747 106 L CB -1.071 40.965 42.059 -0.039 0.000 0.896 106 L HN 0.243 nan 8.230 nan 0.000 0.432 107 F N 0.532 120.437 119.950 -0.075 0.000 2.069 107 F HA -0.279 4.248 4.527 0.000 0.000 0.298 107 F C 2.543 178.327 175.800 -0.027 0.000 1.113 107 F CA 1.647 59.626 58.000 -0.035 0.000 1.214 107 F CB -1.049 37.929 39.000 -0.037 0.000 0.978 107 F HN 0.131 nan 8.300 nan 0.000 0.474 108 K N 0.660 121.167 120.400 0.179 0.000 1.991 108 K HA -0.264 4.056 4.320 0.000 0.000 0.212 108 K C 2.108 178.726 176.600 0.030 0.000 1.049 108 K CA 2.012 58.358 56.287 0.097 0.000 0.932 108 K CB -0.843 31.723 32.500 0.110 0.000 0.717 108 K HN 0.281 nan 8.250 nan 0.000 0.441 109 Q N -0.109 119.661 119.800 -0.050 0.000 2.173 109 Q HA -0.186 4.154 4.340 0.000 0.000 0.208 109 Q C 0.948 176.930 176.000 -0.031 0.000 0.989 109 Q CA 1.956 57.709 55.803 -0.083 0.000 0.872 109 Q CB -0.084 28.520 28.738 -0.222 0.000 0.909 109 Q HN 0.486 nan 8.270 nan 0.000 0.420 110 N N -0.448 118.249 118.700 -0.005 0.000 2.236 110 N HA 0.022 4.762 4.740 0.000 0.000 0.196 110 N C -0.426 175.080 175.510 -0.007 0.000 1.114 110 N CA 0.221 53.272 53.050 0.000 0.000 0.859 110 N CB 0.742 39.241 38.487 0.019 0.000 0.982 110 N HN 0.059 nan 8.380 nan 0.000 0.493 111 K N -0.012 120.389 120.400 0.001 0.000 3.251 111 K HA -0.094 4.226 4.320 0.000 0.000 0.282 111 K C -0.874 175.703 176.600 -0.038 0.000 1.201 111 K CA 0.120 56.404 56.287 -0.006 0.000 0.827 111 K CB -1.812 30.684 32.500 -0.006 0.000 1.286 111 K HN -0.050 nan 8.250 nan 0.000 0.503 112 V N 1.265 121.128 119.914 -0.085 0.000 2.555 112 V HA 0.150 4.270 4.120 0.000 0.000 0.286 112 V C 0.556 176.561 176.094 -0.149 0.000 1.044 112 V CA -0.559 61.607 62.300 -0.223 0.000 1.026 112 V CB 1.473 32.930 31.823 -0.609 0.000 0.981 112 V HN 0.085 nan 8.190 nan 0.000 0.480 113 V N 5.499 125.345 119.914 -0.112 0.000 2.408 113 V HA 0.194 4.314 4.120 0.000 0.000 0.267 113 V C 0.052 176.159 176.094 0.022 0.000 1.047 113 V CA -0.567 61.719 62.300 -0.023 0.000 0.937 113 V CB 0.611 32.423 31.823 -0.017 0.000 0.999 113 V HN 0.882 nan 8.190 nan 0.000 0.472 114 H N 4.810 123.881 119.070 0.001 0.000 2.562 114 H HA 0.590 5.146 4.556 0.000 0.000 0.314 114 H C -0.905 174.456 175.328 0.055 0.000 1.079 114 H CA -0.706 55.387 56.048 0.076 0.000 1.349 114 H CB 1.498 31.378 29.762 0.198 0.000 1.432 114 H HN 0.382 nan 8.280 nan 0.000 0.479 115 V N 6.242 126.143 119.914 -0.021 0.000 2.407 115 V HA 0.147 4.267 4.120 0.000 0.000 0.291 115 V C 0.192 176.172 176.094 -0.189 0.000 1.018 115 V CA -1.028 61.173 62.300 -0.165 0.000 0.842 115 V CB 1.256 33.064 31.823 -0.025 0.000 0.996 115 V HN 0.841 nan 8.190 nan 0.000 0.426 116 N N 2.795 121.322 118.700 -0.289 0.000 2.482 116 N HA 0.635 5.375 4.740 0.000 0.000 0.260 116 N C 0.112 175.620 175.510 -0.003 0.000 1.236 116 N CA 1.558 54.551 53.050 -0.096 0.000 0.938 116 N CB 1.131 39.569 38.487 -0.080 0.000 1.128 116 N HN 1.150 nan 8.380 nan 0.000 0.448 117 G N 0.626 109.458 108.800 0.054 0.000 2.528 117 G HA2 -0.075 3.885 3.960 0.000 0.000 0.681 117 G HA3 -0.075 3.885 3.960 0.000 0.000 0.681 117 G C -1.875 173.102 174.900 0.129 0.000 1.340 117 G CA -0.985 44.170 45.100 0.092 0.000 0.855 117 G HN 0.481 nan 8.290 nan 0.000 0.649 118 Y N 1.903 122.233 120.300 0.050 0.000 2.486 118 Y HA 0.505 5.055 4.550 0.000 0.000 0.348 118 Y C 1.079 177.014 175.900 0.058 0.000 1.000 118 Y CA 0.720 58.859 58.100 0.065 0.000 1.253 118 Y CB 0.746 39.245 38.460 0.065 0.000 1.140 118 Y HN 0.848 nan 8.280 nan 0.000 0.526 119 G N 5.512 114.416 108.800 0.174 0.000 2.400 119 G HA2 0.454 4.414 3.960 0.000 0.000 0.301 119 G HA3 0.454 4.414 3.960 0.000 0.000 0.301 119 G C -1.400 173.620 174.900 0.200 0.000 1.154 119 G CA -0.839 44.354 45.100 0.155 0.000 0.852 119 G HN 0.635 nan 8.290 nan 0.000 0.511 120 K N 1.003 121.491 120.400 0.146 0.000 2.469 120 K HA 0.468 4.788 4.320 0.000 0.000 0.254 120 K C -0.454 176.189 176.600 0.072 0.000 0.939 120 K CA -0.929 55.430 56.287 0.121 0.000 0.812 120 K CB 1.659 34.225 32.500 0.111 0.000 1.301 120 K HN 0.314 nan 8.250 nan 0.000 0.433 121 I N 4.200 124.804 120.570 0.057 0.000 2.379 121 I HA 0.110 4.280 4.170 0.000 0.000 0.290 121 I C 0.550 176.685 176.117 0.030 0.000 1.063 121 I CA -0.366 60.957 61.300 0.039 0.000 1.351 121 I CB 0.672 38.692 38.000 0.034 0.000 1.410 121 I HN 0.821 nan 8.210 nan 0.000 0.505 122 T N 1.350 115.919 114.554 0.025 0.000 3.248 122 T HA 0.571 4.921 4.350 0.000 0.000 0.271 122 T C 0.410 175.118 174.700 0.013 0.000 1.005 122 T CA -0.509 61.602 62.100 0.018 0.000 0.902 122 T CB 0.150 69.029 68.868 0.019 0.000 1.102 122 T HN 1.001 nan 8.240 nan 0.000 0.548 123 G N 0.587 109.394 108.800 0.012 0.000 2.368 123 G HA2 0.208 4.168 3.960 0.000 0.000 0.301 123 G HA3 0.208 4.168 3.960 0.000 0.000 0.301 123 G C 0.104 175.009 174.900 0.009 0.000 1.640 123 G CA -0.854 44.251 45.100 0.008 0.000 0.941 123 G HN 0.002 nan 8.290 nan 0.000 0.695 124 K N -0.213 120.190 120.400 0.005 0.000 2.184 124 K HA -0.232 4.088 4.320 0.000 0.000 0.210 124 K C 0.876 177.480 176.600 0.007 0.000 1.048 124 K CA 2.151 58.440 56.287 0.004 0.000 0.931 124 K CB -0.052 32.448 32.500 -0.000 0.000 0.718 124 K HN 0.423 nan 8.250 nan 0.000 0.465 125 N N 0.215 118.919 118.700 0.007 0.000 2.598 125 N HA 0.076 4.816 4.740 0.000 0.000 0.309 125 N C -1.343 174.171 175.510 0.006 0.000 1.645 125 N CA -0.169 52.885 53.050 0.006 0.000 0.936 125 N CB 1.111 39.600 38.487 0.004 0.000 1.323 125 N HN 0.106 nan 8.380 nan 0.000 0.497 126 Q N 0.564 120.370 119.800 0.010 0.000 2.378 126 Q HA 0.357 4.697 4.340 0.000 0.000 0.262 126 Q C -2.056 173.955 176.000 0.018 0.000 0.978 126 Q CA -0.538 55.272 55.803 0.011 0.000 0.918 126 Q CB 1.711 30.455 28.738 0.010 0.000 1.415 126 Q HN 0.013 nan 8.270 nan 0.000 0.409 127 V N 2.018 121.944 119.914 0.020 0.000 2.680 127 V HA 0.612 4.732 4.120 0.000 0.000 0.309 127 V C -0.394 175.719 176.094 0.032 0.000 1.052 127 V CA -0.582 61.736 62.300 0.030 0.000 0.908 127 V CB 2.076 33.918 31.823 0.032 0.000 1.001 127 V HN 0.827 nan 8.190 nan 0.000 0.431 128 T N 3.564 118.144 114.554 0.043 0.000 2.809 128 T HA 0.586 4.936 4.350 0.000 0.000 0.296 128 T C 0.017 174.755 174.700 0.063 0.000 1.015 128 T CA -0.184 61.942 62.100 0.044 0.000 0.954 128 T CB 1.185 70.076 68.868 0.038 0.000 0.950 128 T HN 0.933 nan 8.240 nan 0.000 0.450 129 A N 3.406 126.260 122.820 0.056 0.000 2.316 129 A HA 0.561 4.881 4.320 0.000 0.000 0.311 129 A C 0.804 178.430 177.584 0.069 0.000 1.339 129 A CA -0.643 51.436 52.037 0.072 0.000 0.960 129 A CB -0.139 18.890 19.000 0.049 0.000 1.152 129 A HN 0.730 nan 8.150 nan 0.000 0.547 130 T N 2.069 116.679 114.554 0.094 0.000 2.753 130 T HA 0.340 4.690 4.350 0.000 0.000 0.297 130 T C 0.235 174.982 174.700 0.077 0.000 0.981 130 T CA -0.723 61.417 62.100 0.066 0.000 0.956 130 T CB 0.203 69.097 68.868 0.045 0.000 0.936 130 T HN 0.561 nan 8.240 nan 0.000 0.463 131 K N 2.454 122.884 120.400 0.050 0.000 2.185 131 K HA 0.238 4.558 4.320 0.000 0.000 0.245 131 K C 1.851 178.481 176.600 0.051 0.000 1.035 131 K CA 0.249 56.564 56.287 0.046 0.000 0.847 131 K CB -0.095 32.418 32.500 0.021 0.000 1.056 131 K HN 0.776 nan 8.250 nan 0.000 0.518 132 A N 1.486 124.333 122.820 0.046 0.000 1.908 132 A HA -0.236 4.084 4.320 0.000 0.000 0.211 132 A C 0.467 178.068 177.584 0.029 0.000 1.225 132 A CA 2.145 54.208 52.037 0.044 0.000 0.689 132 A CB -1.382 17.639 19.000 0.035 0.000 0.843 132 A HN 0.906 nan 8.150 nan 0.000 0.472 133 D N -0.258 120.153 120.400 0.020 0.000 2.520 133 D HA 0.361 5.001 4.640 0.000 0.000 0.243 133 D C 0.631 176.938 176.300 0.011 0.000 1.160 133 D CA 0.327 54.334 54.000 0.012 0.000 0.877 133 D CB 0.035 40.840 40.800 0.009 0.000 1.150 133 D HN 0.579 nan 8.370 nan 0.000 0.494 134 G N 2.839 111.643 108.800 0.006 0.000 2.215 134 G HA2 0.307 4.267 3.960 0.000 0.000 0.266 134 G HA3 0.307 4.267 3.960 0.000 0.000 0.266 134 G C 0.702 175.606 174.900 0.007 0.000 0.831 134 G CA -0.282 44.820 45.100 0.004 0.000 1.010 134 G HN 1.050 nan 8.290 nan 0.000 0.346 135 G N 1.519 110.326 108.800 0.011 0.000 5.569 135 G HA2 0.331 4.291 3.960 0.000 0.000 0.192 135 G HA3 0.331 4.291 3.960 0.000 0.000 0.192 135 G C 0.205 175.113 174.900 0.013 0.000 0.708 135 G CA 0.266 45.373 45.100 0.010 0.000 0.628 135 G HN 0.962 nan 8.290 nan 0.000 0.345 136 T N -0.021 114.541 114.554 0.014 0.000 2.860 136 T HA 0.125 4.475 4.350 0.000 0.000 0.295 136 T C 0.166 174.874 174.700 0.014 0.000 1.041 136 T CA 1.103 63.214 62.100 0.018 0.000 1.132 136 T CB 0.784 69.660 68.868 0.015 0.000 1.072 136 T HN 0.709 nan 8.240 nan 0.000 0.504 137 Q N 4.239 124.049 119.800 0.017 0.000 2.295 137 Q HA 0.531 4.871 4.340 0.000 0.000 0.259 137 Q C -1.467 174.541 176.000 0.015 0.000 0.966 137 Q CA -0.685 55.125 55.803 0.011 0.000 0.763 137 Q CB 1.412 30.153 28.738 0.005 0.000 1.283 137 Q HN 0.542 nan 8.270 nan 0.000 0.445 138 V N 5.330 125.251 119.914 0.012 0.000 2.686 138 V HA 0.538 4.658 4.120 0.000 0.000 0.295 138 V C -0.071 176.029 176.094 0.010 0.000 1.057 138 V CA -0.401 61.907 62.300 0.013 0.000 1.012 138 V CB 1.348 33.178 31.823 0.011 0.000 1.006 138 V HN 0.788 nan 8.190 nan 0.000 0.477 139 I N 3.542 124.118 120.570 0.011 0.000 2.468 139 I HA 0.368 4.538 4.170 0.000 0.000 0.284 139 I C -0.701 175.419 176.117 0.005 0.000 1.038 139 I CA -0.323 60.981 61.300 0.006 0.000 1.083 139 I CB 1.650 39.654 38.000 0.006 0.000 1.223 139 I HN 0.495 nan 8.210 nan 0.000 0.443 140 D N 4.508 124.909 120.400 0.002 0.000 2.198 140 D HA 0.451 5.091 4.640 0.000 0.000 0.245 140 D C -0.171 176.126 176.300 -0.004 0.000 1.079 140 D CA 0.044 54.045 54.000 0.001 0.000 0.854 140 D CB 2.443 43.245 40.800 0.002 0.000 1.148 140 D HN 0.437 nan 8.370 nan 0.000 0.456 141 T N 0.117 114.666 114.554 -0.007 0.000 2.889 141 T HA 0.174 4.524 4.350 0.000 0.000 0.315 141 T C 0.551 175.238 174.700 -0.021 0.000 1.291 141 T CA -0.658 61.431 62.100 -0.020 0.000 1.028 141 T CB 1.530 70.382 68.868 -0.026 0.000 1.235 141 T HN 0.179 nan 8.240 nan 0.000 0.491 142 K N 1.534 121.911 120.400 -0.039 0.000 2.148 142 K HA 0.123 4.443 4.320 0.000 0.000 0.204 142 K C 0.333 176.921 176.600 -0.020 0.000 1.050 142 K CA 0.838 57.105 56.287 -0.033 0.000 0.942 142 K CB 0.069 32.537 32.500 -0.054 0.000 0.724 142 K HN 0.398 nan 8.250 nan 0.000 0.446 143 N N 0.253 118.925 118.700 -0.047 0.000 2.260 143 N HA 0.263 5.003 4.740 0.000 0.000 0.293 143 N C -1.566 173.943 175.510 -0.001 0.000 1.058 143 N CA -0.652 52.398 53.050 -0.001 0.000 0.824 143 N CB 2.297 40.733 38.487 -0.085 0.000 1.551 143 N HN -0.058 nan 8.380 nan 0.000 0.475 144 I N 0.784 121.396 120.570 0.070 0.000 2.465 144 I HA 0.574 4.744 4.170 0.000 0.000 0.291 144 I C -1.612 174.566 176.117 0.102 0.000 1.014 144 I CA -0.833 60.498 61.300 0.052 0.000 1.093 144 I CB 1.632 39.658 38.000 0.044 0.000 1.267 144 I HN 0.460 nan 8.210 nan 0.000 0.431 145 L N 8.438 129.690 121.223 0.047 0.000 2.343 145 L HA 0.617 4.957 4.340 0.000 0.000 0.278 145 L C -1.251 175.652 176.870 0.055 0.000 0.996 145 L CA -0.452 54.423 54.840 0.059 0.000 0.831 145 L CB 1.056 43.093 42.059 -0.037 0.000 1.232 145 L HN 0.466 nan 8.230 nan 0.000 0.413 146 I N 5.161 125.780 120.570 0.082 0.000 2.396 146 I HA 0.363 4.533 4.170 0.000 0.000 0.289 146 I C 0.605 176.756 176.117 0.057 0.000 1.056 146 I CA -0.087 61.253 61.300 0.067 0.000 1.365 146 I CB 0.808 38.854 38.000 0.075 0.000 1.407 146 I HN 0.806 nan 8.210 nan 0.000 0.509 147 A N 4.334 127.182 122.820 0.047 0.000 3.258 147 A HA 0.401 4.721 4.320 0.000 0.000 0.318 147 A C 0.819 178.434 177.584 0.053 0.000 0.990 147 A CA -0.401 51.660 52.037 0.040 0.000 0.885 147 A CB -0.252 18.761 19.000 0.020 0.000 1.090 147 A HN 0.753 nan 8.150 nan 0.000 0.479 148 T N -2.489 112.112 114.554 0.078 0.000 3.107 148 T HA 0.450 4.800 4.350 0.000 0.000 0.249 148 T C 1.354 176.131 174.700 0.129 0.000 1.096 148 T CA 0.864 63.033 62.100 0.114 0.000 1.012 148 T CB -0.125 68.847 68.868 0.173 0.000 0.977 148 T HN 2.001 nan 8.240 nan 0.000 0.527 149 G N 1.944 110.799 108.800 0.092 0.000 2.552 149 G HA2 -0.119 3.841 3.960 0.000 0.000 0.265 149 G HA3 -0.119 3.841 3.960 0.000 0.000 0.265 149 G C 0.024 174.992 174.900 0.113 0.000 1.234 149 G CA 0.343 45.484 45.100 0.068 0.000 0.944 149 G HN 1.577 nan 8.290 nan 0.000 0.568 150 S N -0.900 114.842 115.700 0.069 0.000 2.794 150 S HA 0.853 5.323 4.470 0.000 0.000 0.299 150 S C -0.694 173.928 174.600 0.037 0.000 1.179 150 S CA 0.362 58.625 58.200 0.104 0.000 0.838 150 S CB 2.405 65.650 63.200 0.076 0.000 1.206 150 S HN 1.844 nan 8.310 nan 0.000 0.523 151 E N -0.695 119.556 120.200 0.086 0.000 2.458 151 E HA 0.644 4.994 4.350 0.000 0.000 0.278 151 E C -1.396 175.245 176.600 0.069 0.000 1.004 151 E CA -1.386 55.042 56.400 0.046 0.000 0.823 151 E CB 1.029 30.782 29.700 0.089 0.000 1.396 151 E HN 0.449 nan 8.360 nan 0.000 0.463 152 V N 0.982 120.929 119.914 0.055 0.000 2.655 152 V HA 0.131 4.251 4.120 0.000 0.000 0.300 152 V C 0.184 176.326 176.094 0.080 0.000 1.044 152 V CA -0.110 62.229 62.300 0.065 0.000 1.095 152 V CB 0.878 32.736 31.823 0.057 0.000 0.952 152 V HN 0.693 nan 8.190 nan 0.000 0.485 153 T N 7.637 122.239 114.554 0.080 0.000 2.737 153 T HA 0.265 4.615 4.350 0.000 0.000 0.296 153 T C -1.983 172.769 174.700 0.087 0.000 0.922 153 T CA -0.587 61.559 62.100 0.077 0.000 1.079 153 T CB 0.789 69.697 68.868 0.068 0.000 0.892 153 T HN 0.637 nan 8.240 nan 0.000 0.514 154 P HA 0.192 nan 4.420 nan 0.000 0.271 154 P C -0.732 176.644 177.300 0.127 0.000 1.218 154 P CA -0.546 62.616 63.100 0.104 0.000 0.780 154 P CB 0.570 32.318 31.700 0.080 0.000 0.901 155 F N 4.695 124.649 119.950 0.007 0.000 2.411 155 F HA 0.360 4.887 4.527 0.000 0.000 0.355 155 F C -2.025 173.770 175.800 -0.009 0.000 1.117 155 F CA -2.899 55.098 58.000 -0.005 0.000 1.139 155 F CB 0.474 39.468 39.000 -0.010 0.000 1.120 155 F HN 0.146 nan 8.300 nan 0.000 0.493 156 P HA 0.230 nan 4.420 nan 0.000 0.258 156 P C 0.326 177.687 177.300 0.101 0.000 1.214 156 P CA 0.881 63.944 63.100 -0.062 0.000 0.872 156 P CB 0.184 31.763 31.700 -0.203 0.000 0.890 157 G N 2.732 111.629 108.800 0.163 0.000 2.175 157 G HA2 -0.133 3.827 3.960 0.000 0.000 0.182 157 G HA3 -0.133 3.827 3.960 0.000 0.000 0.182 157 G C -0.140 174.852 174.900 0.153 0.000 1.003 157 G CA -0.593 44.603 45.100 0.159 0.000 0.666 157 G HN 0.477 nan 8.290 nan 0.000 0.506 158 I N 2.057 122.729 120.570 0.171 0.000 2.548 158 I HA 0.333 4.503 4.170 0.000 0.000 0.287 158 I C -0.328 175.822 176.117 0.055 0.000 1.103 158 I CA -0.572 60.763 61.300 0.058 0.000 1.049 158 I CB 2.238 40.209 38.000 -0.048 0.000 1.232 158 I HN 0.090 nan 8.210 nan 0.000 0.429 159 T N 5.365 119.932 114.554 0.021 0.000 2.767 159 T HA 0.522 4.872 4.350 0.000 0.000 0.284 159 T C -0.085 174.618 174.700 0.005 0.000 0.973 159 T CA -0.562 61.551 62.100 0.022 0.000 0.996 159 T CB 1.499 70.378 68.868 0.018 0.000 0.927 159 T HN 0.179 nan 8.240 nan 0.000 0.456 160 I N 4.082 124.660 120.570 0.014 0.000 2.505 160 I HA 0.120 4.290 4.170 0.000 0.000 0.287 160 I C 0.900 177.016 176.117 -0.002 0.000 1.104 160 I CA -0.155 61.146 61.300 0.002 0.000 1.387 160 I CB 0.424 38.434 38.000 0.017 0.000 1.404 160 I HN 0.743 nan 8.210 nan 0.000 0.528 161 D N 3.418 123.809 120.400 -0.015 0.000 2.398 161 D HA 0.044 4.684 4.640 0.000 0.000 0.210 161 D C 0.369 176.657 176.300 -0.021 0.000 1.094 161 D CA -0.121 53.869 54.000 -0.015 0.000 0.839 161 D CB 0.129 40.917 40.800 -0.020 0.000 0.963 161 D HN 0.272 nan 8.370 nan 0.000 0.506 162 E N -0.146 120.039 120.200 -0.025 0.000 2.476 162 E HA -0.235 4.115 4.350 0.000 0.000 0.251 162 E C 0.034 176.609 176.600 -0.040 0.000 1.130 162 E CA 1.236 57.619 56.400 -0.028 0.000 0.736 162 E CB -1.433 28.258 29.700 -0.016 0.000 1.298 162 E HN 0.708 nan 8.360 nan 0.000 0.400 163 D N -2.768 117.601 120.400 -0.051 0.000 3.118 163 D HA 0.151 4.791 4.640 0.000 0.000 0.222 163 D C 1.346 177.596 176.300 -0.084 0.000 1.470 163 D CA 1.160 55.123 54.000 -0.061 0.000 1.347 163 D CB -0.013 40.758 40.800 -0.048 0.000 1.221 163 D HN 0.022 nan 8.370 nan 0.000 0.326 164 T N -1.199 113.307 114.554 -0.079 0.000 2.964 164 T HA 0.338 4.688 4.350 0.000 0.000 0.250 164 T C -0.420 174.224 174.700 -0.094 0.000 0.982 164 T CA -0.202 61.842 62.100 -0.094 0.000 0.959 164 T CB 0.183 69.003 68.868 -0.080 0.000 1.141 164 T HN 0.032 nan 8.240 nan 0.000 0.494 165 I N 4.350 124.875 120.570 -0.075 0.000 2.306 165 I HA 0.471 4.641 4.170 0.000 0.000 0.288 165 I C 0.181 176.260 176.117 -0.063 0.000 1.036 165 I CA -1.818 59.437 61.300 -0.075 0.000 1.221 165 I CB 0.382 38.342 38.000 -0.066 0.000 1.385 165 I HN 0.108 nan 8.210 nan 0.000 0.472 166 V N 3.787 123.658 119.914 -0.071 0.000 3.103 166 V HA 0.930 5.050 4.120 0.000 0.000 0.318 166 V C 0.207 176.286 176.094 -0.025 0.000 1.114 166 V CA -0.528 61.742 62.300 -0.050 0.000 1.020 166 V CB 1.928 33.712 31.823 -0.066 0.000 1.085 166 V HN 0.748 nan 8.190 nan 0.000 0.446 167 S N 0.935 116.633 115.700 -0.003 0.000 2.758 167 S HA 0.408 4.878 4.470 0.000 0.000 0.292 167 S C 1.486 176.106 174.600 0.034 0.000 1.131 167 S CA 0.099 58.312 58.200 0.021 0.000 0.997 167 S CB 1.016 64.232 63.200 0.027 0.000 1.111 167 S HN 2.026 nan 8.310 nan 0.000 0.552 168 S N 0.598 116.329 115.700 0.052 0.000 2.393 168 S HA -0.289 4.181 4.470 0.000 0.000 0.234 168 S C 2.016 176.651 174.600 0.059 0.000 1.064 168 S CA 2.365 60.606 58.200 0.067 0.000 1.088 168 S CB -2.166 61.073 63.200 0.064 0.000 0.939 168 S HN 1.193 nan 8.310 nan 0.000 0.448 169 T N -0.328 114.249 114.554 0.038 0.000 2.904 169 T HA 0.143 4.493 4.350 0.000 0.000 0.267 169 T C 1.936 176.656 174.700 0.032 0.000 1.059 169 T CA 1.400 63.518 62.100 0.030 0.000 1.137 169 T CB -1.089 67.786 68.868 0.013 0.000 0.879 169 T HN 0.534 nan 8.240 nan 0.000 0.467 170 G N 1.026 109.839 108.800 0.021 0.000 2.404 170 G HA2 0.139 4.099 3.960 0.000 0.000 0.214 170 G HA3 0.139 4.099 3.960 0.000 0.000 0.214 170 G C 1.994 176.905 174.900 0.018 0.000 1.189 170 G CA 0.681 45.783 45.100 0.004 0.000 0.789 170 G HN 0.724 nan 8.290 nan 0.000 0.533 171 A N 0.160 123.003 122.820 0.039 0.000 2.076 171 A HA 0.038 4.358 4.320 0.000 0.000 0.220 171 A C 2.167 179.945 177.584 0.322 0.000 1.160 171 A CA 1.156 53.256 52.037 0.106 0.000 0.653 171 A CB -0.302 18.799 19.000 0.168 0.000 0.801 171 A HN 0.313 nan 8.150 nan 0.000 0.455 172 L N -0.740 120.607 121.223 0.207 0.000 2.551 172 L HA 0.096 4.436 4.340 0.000 0.000 0.228 172 L C 0.799 177.781 176.870 0.186 0.000 1.153 172 L CA 1.351 56.305 54.840 0.190 0.000 0.851 172 L CB -0.088 42.026 42.059 0.092 0.000 0.959 172 L HN 0.235 nan 8.230 nan 0.000 0.451 173 S N -1.140 114.668 115.700 0.179 0.000 2.949 173 S HA 0.272 4.742 4.470 0.000 0.000 0.246 173 S C -0.047 174.606 174.600 0.088 0.000 0.899 173 S CA -0.625 57.647 58.200 0.120 0.000 1.091 173 S CB 0.412 63.645 63.200 0.055 0.000 1.199 173 S HN -0.069 nan 8.310 nan 0.000 0.507 174 L N 2.112 123.402 121.223 0.112 0.000 2.474 174 L HA 0.332 4.672 4.340 0.000 0.000 0.259 174 L C 1.436 178.308 176.870 0.003 0.000 1.232 174 L CA 0.811 55.592 54.840 -0.098 0.000 0.821 174 L CB 0.362 42.087 42.059 -0.556 0.000 1.108 174 L HN 0.061 nan 8.230 nan 0.000 0.495 175 K N 0.916 121.282 120.400 -0.057 0.000 2.402 175 K HA 0.175 4.495 4.320 0.000 0.000 0.203 175 K C -0.348 176.243 176.600 -0.016 0.000 1.077 175 K CA 0.088 56.367 56.287 -0.014 0.000 1.051 175 K CB 0.642 33.126 32.500 -0.027 0.000 0.907 175 K HN 0.601 nan 8.250 nan 0.000 0.554 176 K N -0.146 120.220 120.400 -0.056 0.000 2.569 176 K HA 0.151 4.471 4.320 0.000 0.000 0.259 176 K C -0.865 175.681 176.600 -0.090 0.000 0.932 176 K CA -0.564 55.697 56.287 -0.043 0.000 0.833 176 K CB 1.810 34.279 32.500 -0.053 0.000 1.340 176 K HN -0.257 nan 8.250 nan 0.000 0.429 177 V N 4.362 124.279 119.914 0.005 0.000 2.486 177 V HA 0.062 4.182 4.120 0.000 0.000 0.290 177 V C -1.629 174.411 176.094 -0.089 0.000 0.991 177 V CA -0.535 61.775 62.300 0.016 0.000 1.142 177 V CB -0.426 31.440 31.823 0.071 0.000 0.926 177 V HN 0.718 nan 8.190 nan 0.000 0.472 178 P HA 0.116 nan 4.420 nan 0.000 0.276 178 P C 0.654 177.887 177.300 -0.111 0.000 1.230 178 P CA -0.203 62.787 63.100 -0.184 0.000 0.776 178 P CB 1.237 32.765 31.700 -0.288 0.000 0.888 179 E N 2.964 123.111 120.200 -0.090 0.000 2.047 179 E HA -0.132 4.218 4.350 0.000 0.000 0.191 179 E C 0.262 176.820 176.600 -0.070 0.000 0.987 179 E CA 1.020 57.382 56.400 -0.063 0.000 0.799 179 E CB 0.224 29.894 29.700 -0.051 0.000 0.752 179 E HN 0.367 nan 8.360 nan 0.000 0.449 180 K N -0.165 120.182 120.400 -0.088 0.000 2.340 180 K HA 0.491 4.811 4.320 0.000 0.000 0.244 180 K C -1.287 175.239 176.600 -0.124 0.000 0.973 180 K CA -0.774 55.456 56.287 -0.095 0.000 0.828 180 K CB 1.747 34.200 32.500 -0.079 0.000 1.226 180 K HN 0.083 nan 8.250 nan 0.000 0.437 181 M N 2.775 122.293 119.600 -0.137 0.000 2.333 181 M HA 0.297 4.777 4.480 0.000 0.000 0.286 181 M C -2.145 174.064 176.300 -0.151 0.000 1.113 181 M CA -0.689 54.516 55.300 -0.159 0.000 0.959 181 M CB 1.909 34.399 32.600 -0.184 0.000 1.776 181 M HN 0.322 nan 8.290 nan 0.000 0.492 182 V N 4.935 124.771 119.914 -0.131 0.000 2.540 182 V HA 0.694 4.814 4.120 0.000 0.000 0.302 182 V C -0.750 175.291 176.094 -0.088 0.000 1.035 182 V CA -0.647 61.588 62.300 -0.108 0.000 0.873 182 V CB 2.064 33.831 31.823 -0.092 0.000 0.992 182 V HN 0.702 nan 8.190 nan 0.000 0.428 183 V N 5.463 125.344 119.914 -0.055 0.000 2.581 183 V HA 0.554 4.674 4.120 0.000 0.000 0.303 183 V C -0.185 175.921 176.094 0.020 0.000 1.041 183 V CA -0.616 61.681 62.300 -0.004 0.000 0.907 183 V CB 2.094 33.951 31.823 0.056 0.000 0.994 183 V HN 0.670 nan 8.190 nan 0.000 0.442 184 I N 3.675 124.259 120.570 0.023 0.000 2.428 184 I HA 0.700 4.870 4.170 0.000 0.000 0.279 184 I C 0.509 176.683 176.117 0.094 0.000 1.040 184 I CA -0.082 61.237 61.300 0.032 0.000 1.171 184 I CB 1.127 39.102 38.000 -0.043 0.000 1.312 184 I HN 0.959 nan 8.210 nan 0.000 0.470 185 G N 4.098 112.975 108.800 0.127 0.000 3.162 185 G HA2 0.143 4.103 3.960 0.000 0.000 0.599 185 G HA3 0.143 4.103 3.960 0.000 0.000 0.599 185 G C -0.313 174.693 174.900 0.177 0.000 1.335 185 G CA -0.354 44.836 45.100 0.150 0.000 1.091 185 G HN 0.726 nan 8.290 nan 0.000 0.570 186 A N 1.577 124.507 122.820 0.184 0.000 2.734 186 A HA 0.717 5.037 4.320 0.000 0.000 0.279 186 A C 1.547 179.247 177.584 0.192 0.000 1.386 186 A CA 1.166 53.340 52.037 0.228 0.000 0.987 186 A CB -0.357 18.802 19.000 0.265 0.000 1.041 186 A HN 1.974 nan 8.150 nan 0.000 0.569 187 G N -1.085 107.825 108.800 0.183 0.000 2.486 187 G HA2 0.294 4.254 3.960 0.000 0.000 0.272 187 G HA3 0.294 4.254 3.960 0.000 0.000 0.272 187 G C 1.181 176.219 174.900 0.230 0.000 1.426 187 G CA 0.282 45.499 45.100 0.195 0.000 1.058 187 G HN 0.116 nan 8.290 nan 0.000 0.531 188 V N -0.001 120.052 119.914 0.232 0.000 2.220 188 V HA -0.193 3.927 4.120 0.000 0.000 0.246 188 V C 2.907 179.132 176.094 0.219 0.000 1.049 188 V CA 2.091 64.535 62.300 0.240 0.000 1.003 188 V CB -0.695 31.255 31.823 0.211 0.000 0.634 188 V HN 0.555 nan 8.190 nan 0.000 0.444 189 I N 0.041 120.719 120.570 0.180 0.000 2.226 189 I HA -0.172 3.998 4.170 0.000 0.000 0.245 189 I C 2.604 178.833 176.117 0.186 0.000 1.100 189 I CA 1.542 62.940 61.300 0.163 0.000 1.374 189 I CB -1.176 36.902 38.000 0.129 0.000 1.057 189 I HN 0.443 nan 8.210 nan 0.000 0.413 190 G N 1.410 110.326 108.800 0.193 0.000 2.681 190 G HA2 -0.292 3.668 3.960 0.000 0.000 0.220 190 G HA3 -0.292 3.668 3.960 0.000 0.000 0.220 190 G C 1.631 176.708 174.900 0.294 0.000 1.210 190 G CA 2.023 47.256 45.100 0.222 0.000 0.783 190 G HN 0.323 nan 8.290 nan 0.000 0.609 191 V N 0.142 120.237 119.914 0.302 0.000 2.307 191 V HA -0.134 3.986 4.120 0.000 0.000 0.245 191 V C 2.471 178.768 176.094 0.339 0.000 1.045 191 V CA 2.293 64.788 62.300 0.325 0.000 1.024 191 V CB -1.052 30.920 31.823 0.249 0.000 0.651 191 V HN 0.456 nan 8.190 nan 0.000 0.449 192 E N 0.502 120.868 120.200 0.277 0.000 2.048 192 E HA -0.268 4.082 4.350 0.000 0.000 0.202 192 E C 2.141 178.853 176.600 0.185 0.000 1.021 192 E CA 1.973 58.506 56.400 0.222 0.000 0.825 192 E CB -0.337 29.473 29.700 0.183 0.000 0.756 192 E HN 0.407 nan 8.360 nan 0.000 0.454 193 L N 0.118 121.455 121.223 0.190 0.000 2.056 193 L HA -0.064 4.276 4.340 0.000 0.000 0.207 193 L C 2.464 179.477 176.870 0.237 0.000 1.078 193 L CA 1.810 56.764 54.840 0.191 0.000 0.749 193 L CB -1.074 41.118 42.059 0.222 0.000 0.901 193 L HN 0.199 nan 8.230 nan 0.000 0.433 194 G N -1.760 107.194 108.800 0.256 0.000 2.469 194 G HA2 -0.298 3.662 3.960 0.000 0.000 0.220 194 G HA3 -0.298 3.662 3.960 0.000 0.000 0.220 194 G C 1.891 176.824 174.900 0.055 0.000 1.136 194 G CA 1.208 46.367 45.100 0.097 0.000 0.759 194 G HN 0.385 nan 8.290 nan 0.000 0.562 195 S N -0.743 115.115 115.700 0.263 0.000 2.414 195 S HA -0.015 4.455 4.470 0.000 0.000 0.227 195 S C 2.578 177.180 174.600 0.004 0.000 1.022 195 S CA 0.859 59.184 58.200 0.207 0.000 0.958 195 S CB -0.100 63.274 63.200 0.290 0.000 0.797 195 S HN 0.209 nan 8.310 nan 0.000 0.493 196 V N 0.232 120.088 119.914 -0.097 0.000 2.233 196 V HA -0.223 3.897 4.120 0.000 0.000 0.247 196 V C 1.859 177.692 176.094 -0.435 0.000 1.050 196 V CA 1.811 63.901 62.300 -0.349 0.000 1.010 196 V CB -1.034 30.433 31.823 -0.592 0.000 0.637 196 V HN 0.642 nan 8.190 nan 0.000 0.444 197 W N -0.425 120.831 121.300 -0.075 0.000 2.465 197 W HA -0.094 4.566 4.660 0.000 0.000 0.268 197 W C 2.655 179.098 176.519 -0.128 0.000 1.242 197 W CA 1.009 58.287 57.345 -0.111 0.000 1.248 197 W CB -0.250 29.137 29.460 -0.122 0.000 1.118 197 W HN 0.194 nan 8.180 nan 0.000 0.587 198 Q N 0.980 120.782 119.800 0.004 0.000 2.123 198 Q HA -0.111 4.229 4.340 0.000 0.000 0.199 198 Q C 1.935 177.928 176.000 -0.012 0.000 0.966 198 Q CA 1.256 57.026 55.803 -0.055 0.000 0.845 198 Q CB -0.090 28.558 28.738 -0.149 0.000 0.907 198 Q HN 0.341 nan 8.270 nan 0.000 0.439 199 R N -0.483 120.002 120.500 -0.025 0.000 2.153 199 R HA -0.006 4.334 4.340 0.000 0.000 0.218 199 R C 1.794 178.147 176.300 0.090 0.000 1.072 199 R CA 0.277 56.391 56.100 0.023 0.000 0.990 199 R CB 0.148 30.438 30.300 -0.016 0.000 0.889 199 R HN 0.111 nan 8.270 nan 0.000 0.452 200 L N -0.828 120.366 121.223 -0.048 0.000 2.554 200 L HA 0.184 4.524 4.340 0.000 0.000 0.226 200 L C 1.295 178.127 176.870 -0.064 0.000 1.137 200 L CA 1.305 56.033 54.840 -0.186 0.000 0.863 200 L CB 0.117 42.043 42.059 -0.222 0.000 0.985 200 L HN 0.466 nan 8.230 nan 0.000 0.451 201 G N -2.235 106.577 108.800 0.021 0.000 2.227 201 G HA2 -0.105 3.855 3.960 0.000 0.000 0.168 201 G HA3 -0.105 3.855 3.960 0.000 0.000 0.168 201 G C 0.569 175.484 174.900 0.025 0.000 1.006 201 G CA -0.078 45.042 45.100 0.033 0.000 0.684 201 G HN 0.562 nan 8.290 nan 0.000 0.489 202 A N 0.212 123.050 122.820 0.030 0.000 2.386 202 A HA 0.501 4.821 4.320 0.000 0.000 0.246 202 A C 0.224 177.777 177.584 -0.052 0.000 1.089 202 A CA 0.726 52.758 52.037 -0.009 0.000 0.790 202 A CB 0.363 19.368 19.000 0.008 0.000 1.042 202 A HN 0.416 nan 8.150 nan 0.000 0.497 203 D N 0.822 121.176 120.400 -0.077 0.000 2.443 203 D HA 0.366 5.006 4.640 0.000 0.000 0.221 203 D C -0.490 175.711 176.300 -0.165 0.000 1.097 203 D CA -0.100 53.840 54.000 -0.101 0.000 0.865 203 D CB 0.800 41.560 40.800 -0.068 0.000 1.034 203 D HN 0.465 nan 8.370 nan 0.000 0.511 204 V N 2.172 121.922 119.914 -0.273 0.000 2.732 204 V HA 0.832 4.952 4.120 0.000 0.000 0.310 204 V C -0.615 175.234 176.094 -0.409 0.000 1.053 204 V CA -0.221 61.846 62.300 -0.387 0.000 0.957 204 V CB 2.014 33.479 31.823 -0.597 0.000 1.018 204 V HN 0.471 nan 8.190 nan 0.000 0.452 205 T N 4.657 119.032 114.554 -0.298 0.000 3.011 205 T HA 0.743 5.093 4.350 0.000 0.000 0.303 205 T C -0.366 174.274 174.700 -0.099 0.000 0.997 205 T CA 0.146 62.137 62.100 -0.182 0.000 1.007 205 T CB 1.284 70.094 68.868 -0.097 0.000 1.017 205 T HN 1.363 nan 8.240 nan 0.000 0.443 206 A N 3.021 125.830 122.820 -0.019 0.000 2.290 206 A HA 0.733 5.053 4.320 0.000 0.000 0.310 206 A C -0.111 177.552 177.584 0.131 0.000 1.202 206 A CA -0.523 51.577 52.037 0.105 0.000 0.837 206 A CB 0.506 19.650 19.000 0.240 0.000 1.139 206 A HN 0.682 nan 8.150 nan 0.000 0.509 207 V N 2.769 122.746 119.914 0.104 0.000 2.370 207 V HA 0.433 4.553 4.120 0.000 0.000 0.279 207 V C -0.063 176.116 176.094 0.142 0.000 1.029 207 V CA -0.229 62.138 62.300 0.112 0.000 0.870 207 V CB 1.106 32.965 31.823 0.060 0.000 0.984 207 V HN 0.999 nan 8.190 nan 0.000 0.451 208 E N 3.322 123.619 120.200 0.162 0.000 2.222 208 E HA 0.387 4.737 4.350 0.000 0.000 0.267 208 E C 0.135 176.858 176.600 0.204 0.000 0.884 208 E CA -0.642 55.854 56.400 0.160 0.000 0.764 208 E CB 1.250 31.016 29.700 0.111 0.000 1.169 208 E HN 0.336 nan 8.360 nan 0.000 0.413 209 F N 3.521 123.491 119.950 0.033 0.000 2.095 209 F HA 0.009 4.536 4.527 0.000 0.000 0.298 209 F C 0.457 176.246 175.800 -0.017 0.000 1.104 209 F CA 1.101 59.113 58.000 0.019 0.000 1.232 209 F CB -0.161 38.856 39.000 0.028 0.000 0.987 209 F HN 0.476 nan 8.300 nan 0.000 0.475 210 L N -1.209 119.997 121.223 -0.028 0.000 2.479 210 L HA 0.240 4.580 4.340 0.000 0.000 0.248 210 L C 1.772 178.540 176.870 -0.169 0.000 1.205 210 L CA 0.255 54.970 54.840 -0.207 0.000 0.817 210 L CB -0.095 41.763 42.059 -0.335 0.000 1.162 210 L HN 0.055 nan 8.230 nan 0.000 0.486 211 G N -1.197 107.513 108.800 -0.149 0.000 3.371 211 G HA2 0.085 4.045 3.960 0.000 0.000 0.248 211 G HA3 0.085 4.045 3.960 0.000 0.000 0.248 211 G C 0.149 175.021 174.900 -0.048 0.000 1.161 211 G CA -0.051 45.005 45.100 -0.075 0.000 0.796 211 G HN 0.723 nan 8.290 nan 0.000 0.539 212 H N -1.519 117.514 119.070 -0.061 0.000 2.717 212 H HA 0.559 5.115 4.556 0.000 0.000 0.366 212 H C -0.634 174.644 175.328 -0.083 0.000 1.132 212 H CA -0.939 55.053 56.048 -0.093 0.000 1.180 212 H CB 1.422 31.131 29.762 -0.087 0.000 1.678 212 H HN 0.032 nan 8.280 nan 0.000 0.537 213 V N 1.441 121.298 119.914 -0.095 0.000 3.264 213 V HA 0.706 4.826 4.120 0.000 0.000 0.304 213 V C 0.710 176.920 176.094 0.194 0.000 1.086 213 V CA 1.027 63.290 62.300 -0.062 0.000 1.090 213 V CB 0.422 32.015 31.823 -0.382 0.000 1.112 213 V HN 1.518 nan 8.190 nan 0.000 0.472 214 G N 1.515 110.468 108.800 0.256 0.000 2.712 214 G HA2 0.282 4.242 3.960 0.000 0.000 0.683 214 G HA3 0.282 4.242 3.960 0.000 0.000 0.683 214 G C 0.236 175.324 174.900 0.313 0.000 1.320 214 G CA -0.200 45.094 45.100 0.325 0.000 0.847 214 G HN 1.982 nan 8.290 nan 0.000 0.553 215 G N -1.145 107.851 108.800 0.327 0.000 2.311 215 G HA2 0.554 4.514 3.960 0.000 0.000 0.274 215 G HA3 0.554 4.514 3.960 0.000 0.000 0.274 215 G C 0.830 175.912 174.900 0.304 0.000 1.511 215 G CA 1.829 47.123 45.100 0.324 0.000 1.041 215 G HN 2.267 nan 8.290 nan 0.000 0.527 216 V N -2.866 117.205 119.914 0.262 0.000 2.628 216 V HA 0.691 4.811 4.120 0.000 0.000 0.306 216 V C 0.947 177.144 176.094 0.173 0.000 1.045 216 V CA 0.696 63.115 62.300 0.198 0.000 0.905 216 V CB 0.817 32.738 31.823 0.164 0.000 0.997 216 V HN 2.422 nan 8.190 nan 0.000 0.436 217 G N 4.189 113.022 108.800 0.055 0.000 2.155 217 G HA2 -0.241 3.719 3.960 0.000 0.000 0.257 217 G HA3 -0.241 3.719 3.960 0.000 0.000 0.257 217 G C 0.131 174.947 174.900 -0.139 0.000 0.983 217 G CA 0.540 45.670 45.100 0.050 0.000 0.676 217 G HN 1.514 nan 8.290 nan 0.000 0.528 218 I N 0.849 121.180 120.570 -0.399 0.000 2.428 218 I HA 0.439 4.609 4.170 0.000 0.000 0.289 218 I C 0.413 176.119 176.117 -0.685 0.000 1.019 218 I CA -0.572 60.132 61.300 -0.994 0.000 1.351 218 I CB 0.726 38.199 38.000 -0.879 0.000 1.412 218 I HN 0.176 nan 8.210 nan 0.000 0.513 219 D N 6.223 126.213 120.400 -0.685 0.000 2.488 219 D HA -0.046 4.594 4.640 0.000 0.000 0.238 219 D C 1.073 177.123 176.300 -0.417 0.000 1.138 219 D CA -0.013 53.674 54.000 -0.521 0.000 0.873 219 D CB 0.917 41.282 40.800 -0.725 0.000 1.183 219 D HN 0.462 nan 8.370 nan 0.000 0.458 220 M N 2.277 121.678 119.600 -0.333 0.000 2.254 220 M HA -0.080 4.400 4.480 0.000 0.000 0.265 220 M C 1.767 177.955 176.300 -0.186 0.000 1.066 220 M CA 1.170 56.315 55.300 -0.258 0.000 1.123 220 M CB -0.716 31.763 32.600 -0.203 0.000 1.388 220 M HN 0.686 nan 8.290 nan 0.000 0.425 221 E N 1.070 121.157 120.200 -0.187 0.000 2.051 221 E HA -0.191 4.159 4.350 0.000 0.000 0.192 221 E C 1.970 178.499 176.600 -0.120 0.000 0.991 221 E CA 1.375 57.694 56.400 -0.134 0.000 0.799 221 E CB -0.102 29.522 29.700 -0.128 0.000 0.748 221 E HN 0.630 nan 8.360 nan 0.000 0.449 222 I N -1.384 119.089 120.570 -0.162 0.000 2.676 222 I HA -0.114 4.056 4.170 0.000 0.000 0.259 222 I C 2.389 178.467 176.117 -0.065 0.000 1.194 222 I CA 1.065 62.304 61.300 -0.101 0.000 1.473 222 I CB -0.215 37.727 38.000 -0.096 0.000 1.096 222 I HN 0.006 nan 8.210 nan 0.000 0.443 223 S N 1.873 117.504 115.700 -0.116 0.000 2.353 223 S HA -0.190 4.280 4.470 0.000 0.000 0.222 223 S C 2.107 176.707 174.600 -0.000 0.000 1.035 223 S CA 1.499 59.680 58.200 -0.031 0.000 1.025 223 S CB -0.219 62.922 63.200 -0.097 0.000 0.902 223 S HN 0.456 nan 8.310 nan 0.000 0.440 224 K N 1.511 121.882 120.400 -0.049 0.000 2.097 224 K HA 0.001 4.321 4.320 0.000 0.000 0.206 224 K C 1.994 178.575 176.600 -0.032 0.000 1.049 224 K CA 1.135 57.387 56.287 -0.058 0.000 0.933 224 K CB -0.733 31.734 32.500 -0.055 0.000 0.717 224 K HN 0.529 nan 8.250 nan 0.000 0.442 225 N N 0.582 119.284 118.700 0.003 0.000 2.142 225 N HA -0.148 4.592 4.740 0.000 0.000 0.186 225 N C 1.785 177.357 175.510 0.103 0.000 1.023 225 N CA 0.658 53.728 53.050 0.034 0.000 0.852 225 N CB -0.374 38.132 38.487 0.030 0.000 0.998 225 N HN 0.049 nan 8.380 nan 0.000 0.424 226 F N 2.814 122.714 119.950 -0.083 0.000 2.043 226 F HA -0.268 4.259 4.527 0.000 0.000 0.297 226 F C 2.701 178.429 175.800 -0.119 0.000 1.118 226 F CA 1.759 59.707 58.000 -0.088 0.000 1.202 226 F CB -0.929 38.010 39.000 -0.101 0.000 0.965 226 F HN 0.118 nan 8.300 nan 0.000 0.482 227 Q N 0.156 119.811 119.800 -0.241 0.000 2.050 227 Q HA -0.274 4.066 4.340 0.000 0.000 0.202 227 Q C 2.521 178.368 176.000 -0.254 0.000 0.980 227 Q CA 1.885 57.365 55.803 -0.539 0.000 0.840 227 Q CB -0.463 27.897 28.738 -0.631 0.000 0.898 227 Q HN 0.441 nan 8.270 nan 0.000 0.424 228 R N 0.053 120.477 120.500 -0.126 0.000 2.119 228 R HA -0.181 4.159 4.340 0.000 0.000 0.246 228 R C 2.245 178.543 176.300 -0.003 0.000 1.146 228 R CA 1.970 58.047 56.100 -0.038 0.000 0.962 228 R CB -0.318 29.973 30.300 -0.015 0.000 0.863 228 R HN 0.422 nan 8.270 nan 0.000 0.442 229 I N 0.116 120.686 120.570 0.001 0.000 2.202 229 I HA -0.278 3.892 4.170 0.000 0.000 0.242 229 I C 2.001 178.130 176.117 0.021 0.000 1.091 229 I CA 1.093 62.416 61.300 0.037 0.000 1.368 229 I CB -0.101 37.955 38.000 0.092 0.000 1.058 229 I HN 0.208 nan 8.210 nan 0.000 0.410 230 L N -0.175 121.001 121.223 -0.077 0.000 2.131 230 L HA -0.246 4.094 4.340 0.000 0.000 0.210 230 L C 2.537 179.481 176.870 0.122 0.000 1.092 230 L CA 1.281 56.095 54.840 -0.043 0.000 0.759 230 L CB -0.611 41.272 42.059 -0.293 0.000 0.903 230 L HN 0.302 nan 8.230 nan 0.000 0.435 231 Q N -0.143 119.739 119.800 0.137 0.000 2.135 231 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 231 Q C 2.205 178.278 176.000 0.122 0.000 0.981 231 Q CA 1.278 57.183 55.803 0.170 0.000 0.856 231 Q CB 0.077 28.901 28.738 0.144 0.000 0.902 231 Q HN 0.341 nan 8.270 nan 0.000 0.425 232 K N 0.474 120.931 120.400 0.095 0.000 2.148 232 K HA -0.137 4.183 4.320 0.000 0.000 0.204 232 K C 1.583 178.244 176.600 0.102 0.000 1.050 232 K CA 1.037 57.378 56.287 0.090 0.000 0.942 232 K CB 0.012 32.561 32.500 0.081 0.000 0.724 232 K HN 0.433 nan 8.250 nan 0.000 0.446 233 Q N -0.250 119.615 119.800 0.109 0.000 2.415 233 Q HA 0.091 4.431 4.340 0.000 0.000 0.206 233 Q C 0.681 176.747 176.000 0.110 0.000 0.946 233 Q CA 0.452 56.317 55.803 0.105 0.000 0.951 233 Q CB 0.278 29.062 28.738 0.076 0.000 1.026 233 Q HN 0.425 nan 8.270 nan 0.000 0.510 234 G N 1.360 110.230 108.800 0.116 0.000 2.143 234 G HA2 -0.300 3.660 3.960 0.000 0.000 0.249 234 G HA3 -0.300 3.660 3.960 0.000 0.000 0.249 234 G C -0.380 174.578 174.900 0.097 0.000 0.981 234 G CA -0.245 44.912 45.100 0.094 0.000 0.665 234 G HN 0.405 nan 8.290 nan 0.000 0.528 235 F N 2.487 122.405 119.950 -0.054 0.000 2.424 235 F HA 0.654 5.181 4.527 0.000 0.000 0.356 235 F C 0.540 176.181 175.800 -0.265 0.000 1.110 235 F CA -1.385 56.511 58.000 -0.174 0.000 1.161 235 F CB 0.603 39.499 39.000 -0.172 0.000 1.115 235 F HN 0.067 nan 8.300 nan 0.000 0.507 236 K N 5.872 126.307 120.400 0.059 0.000 2.110 236 K HA 0.528 4.848 4.320 0.000 0.000 0.263 236 K C -1.406 175.075 176.600 -0.199 0.000 0.975 236 K CA -0.503 55.785 56.287 0.002 0.000 0.895 236 K CB 1.469 33.963 32.500 -0.011 0.000 1.060 236 K HN 0.447 nan 8.250 nan 0.000 0.448 237 F N 0.790 120.817 119.950 0.129 0.000 2.563 237 F HA 0.367 4.894 4.527 0.000 0.000 0.316 237 F C -0.043 175.792 175.800 0.059 0.000 1.076 237 F CA -0.948 57.106 58.000 0.090 0.000 0.921 237 F CB 1.885 40.892 39.000 0.012 0.000 1.209 237 F HN 0.152 nan 8.300 nan 0.000 0.462 238 K N 3.107 123.657 120.400 0.249 0.000 2.687 238 K HA 0.479 4.799 4.320 0.000 0.000 0.197 238 K C -1.244 175.444 176.600 0.146 0.000 1.049 238 K CA 0.024 56.402 56.287 0.151 0.000 1.030 238 K CB 0.477 33.037 32.500 0.101 0.000 1.261 238 K HN 0.499 nan 8.250 nan 0.000 0.565 239 L N 1.538 122.835 121.223 0.124 0.000 2.421 239 L HA 0.342 4.682 4.340 0.000 0.000 0.263 239 L C 0.359 177.270 176.870 0.068 0.000 1.122 239 L CA -0.582 54.306 54.840 0.080 0.000 0.804 239 L CB 0.563 42.636 42.059 0.023 0.000 1.150 239 L HN 0.735 nan 8.230 nan 0.000 0.457 240 N N -0.686 118.048 118.700 0.056 0.000 2.735 240 N HA -0.182 4.558 4.740 0.000 0.000 0.248 240 N C -0.662 174.928 175.510 0.134 0.000 1.083 240 N CA 0.943 54.026 53.050 0.055 0.000 0.703 240 N CB -0.807 37.688 38.487 0.014 0.000 1.005 240 N HN 0.860 nan 8.380 nan 0.000 0.550 241 T N -2.659 112.009 114.554 0.190 0.000 2.901 241 T HA 0.694 5.044 4.350 0.000 0.000 0.293 241 T C -0.630 174.199 174.700 0.215 0.000 1.084 241 T CA -1.062 61.148 62.100 0.184 0.000 1.008 241 T CB 2.837 71.774 68.868 0.114 0.000 1.170 241 T HN 0.307 nan 8.240 nan 0.000 0.509 242 K N -0.384 120.093 120.400 0.129 0.000 2.443 242 K HA 0.763 5.083 4.320 0.000 0.000 0.251 242 K C -0.832 175.790 176.600 0.038 0.000 0.972 242 K CA -1.185 55.119 56.287 0.028 0.000 0.833 242 K CB 2.263 34.679 32.500 -0.141 0.000 1.317 242 K HN 0.660 nan 8.250 nan 0.000 0.441 243 V N 0.573 120.521 119.914 0.057 0.000 2.407 243 V HA 0.243 4.363 4.120 0.000 0.000 0.278 243 V C 0.807 176.959 176.094 0.096 0.000 1.037 243 V CA 0.367 62.687 62.300 0.032 0.000 0.900 243 V CB 0.886 32.654 31.823 -0.092 0.000 0.983 243 V HN 1.057 nan 8.190 nan 0.000 0.459 244 T N 2.642 117.225 114.554 0.048 0.000 3.054 244 T HA 0.515 4.865 4.350 0.000 0.000 0.259 244 T C 0.888 175.622 174.700 0.058 0.000 1.092 244 T CA 0.654 62.787 62.100 0.056 0.000 1.121 244 T CB -0.119 68.767 68.868 0.030 0.000 0.912 244 T HN 1.727 nan 8.240 nan 0.000 0.489 245 G N -0.234 108.576 108.800 0.017 0.000 2.349 245 G HA2 0.583 4.543 3.960 0.000 0.000 0.294 245 G HA3 0.583 4.543 3.960 0.000 0.000 0.294 245 G C -2.035 172.825 174.900 -0.067 0.000 1.380 245 G CA -0.494 44.601 45.100 -0.007 0.000 0.811 245 G HN 0.674 nan 8.290 nan 0.000 0.519 246 A N -0.301 122.475 122.820 -0.073 0.000 2.422 246 A HA 0.954 5.274 4.320 0.000 0.000 0.302 246 A C -0.133 177.421 177.584 -0.051 0.000 1.041 246 A CA 0.121 52.110 52.037 -0.079 0.000 0.708 246 A CB 1.764 20.692 19.000 -0.120 0.000 1.257 246 A HN 2.059 nan 8.150 nan 0.000 0.414 247 T N -0.498 114.029 114.554 -0.045 0.000 2.848 247 T HA 0.588 4.938 4.350 0.000 0.000 0.285 247 T C -0.435 174.241 174.700 -0.039 0.000 0.995 247 T CA -0.745 61.334 62.100 -0.035 0.000 0.970 247 T CB 1.163 70.016 68.868 -0.024 0.000 0.976 247 T HN 0.623 nan 8.240 nan 0.000 0.441 248 K N 2.550 122.928 120.400 -0.037 0.000 2.447 248 K HA 0.192 4.512 4.320 0.000 0.000 0.281 248 K C 0.402 176.982 176.600 -0.032 0.000 1.031 248 K CA -0.263 56.002 56.287 -0.037 0.000 1.019 248 K CB 0.394 32.873 32.500 -0.034 0.000 0.918 248 K HN 0.395 nan 8.250 nan 0.000 0.476 249 K N 0.665 121.044 120.400 -0.034 0.000 2.209 249 K HA 0.065 4.385 4.320 0.000 0.000 0.238 249 K C 1.332 177.916 176.600 -0.027 0.000 1.028 249 K CA -0.026 56.243 56.287 -0.030 0.000 0.935 249 K CB 1.130 33.611 32.500 -0.032 0.000 1.162 249 K HN 0.700 nan 8.250 nan 0.000 0.485 250 S N -0.040 115.646 115.700 -0.023 0.000 2.399 250 S HA -0.168 4.302 4.470 0.000 0.000 0.231 250 S C 0.933 175.519 174.600 -0.023 0.000 1.022 250 S CA 1.868 60.056 58.200 -0.021 0.000 0.983 250 S CB -0.278 62.911 63.200 -0.018 0.000 0.803 250 S HN 0.598 nan 8.310 nan 0.000 0.480 251 D N -0.532 119.852 120.400 -0.026 0.000 2.354 251 D HA 0.373 5.013 4.640 0.000 0.000 0.209 251 D C 1.550 177.830 176.300 -0.033 0.000 1.015 251 D CA 0.741 54.724 54.000 -0.027 0.000 0.867 251 D CB -0.393 40.390 40.800 -0.027 0.000 0.933 251 D HN 0.633 nan 8.370 nan 0.000 0.520 252 G N -0.044 108.734 108.800 -0.036 0.000 2.352 252 G HA2 -0.242 3.718 3.960 0.000 0.000 0.204 252 G HA3 -0.242 3.718 3.960 0.000 0.000 0.204 252 G C 0.175 175.044 174.900 -0.051 0.000 1.004 252 G CA -0.221 44.853 45.100 -0.043 0.000 0.648 252 G HN 0.323 nan 8.290 nan 0.000 0.491 253 K N 0.437 120.807 120.400 -0.050 0.000 2.494 253 K HA 0.355 4.675 4.320 0.000 0.000 0.273 253 K C -0.358 176.208 176.600 -0.056 0.000 0.970 253 K CA 0.270 56.523 56.287 -0.057 0.000 0.963 253 K CB 1.077 33.547 32.500 -0.050 0.000 0.913 253 K HN 0.203 nan 8.250 nan 0.000 0.502 254 I N 1.591 122.123 120.570 -0.065 0.000 2.412 254 I HA 0.051 4.221 4.170 0.000 0.000 0.296 254 I C -0.348 175.732 176.117 -0.061 0.000 0.987 254 I CA -0.247 61.014 61.300 -0.065 0.000 1.180 254 I CB 1.560 39.513 38.000 -0.079 0.000 1.340 254 I HN 0.423 nan 8.210 nan 0.000 0.455 255 D N 5.107 125.474 120.400 -0.054 0.000 2.329 255 D HA 0.418 5.058 4.640 0.000 0.000 0.232 255 D C -0.840 175.427 176.300 -0.056 0.000 1.088 255 D CA 0.013 53.984 54.000 -0.049 0.000 0.835 255 D CB 1.202 41.980 40.800 -0.037 0.000 1.078 255 D HN 0.225 nan 8.370 nan 0.000 0.495 256 V N 0.731 120.609 119.914 -0.060 0.000 2.398 256 V HA 0.621 4.741 4.120 0.000 0.000 0.286 256 V C 0.086 176.152 176.094 -0.048 0.000 1.026 256 V CA -0.748 61.510 62.300 -0.070 0.000 0.868 256 V CB 1.776 33.544 31.823 -0.091 0.000 0.982 256 V HN 0.336 nan 8.190 nan 0.000 0.443 257 S N 6.335 122.010 115.700 -0.041 0.000 2.411 257 S HA 0.696 5.166 4.470 0.000 0.000 0.294 257 S C -0.105 174.487 174.600 -0.014 0.000 1.115 257 S CA -0.419 57.769 58.200 -0.020 0.000 1.071 257 S CB 0.308 63.502 63.200 -0.011 0.000 0.967 257 S HN 0.898 nan 8.310 nan 0.000 0.488 258 I N 0.376 120.944 120.570 -0.004 0.000 2.947 258 I HA 0.854 5.024 4.170 0.000 0.000 0.314 258 I C -0.262 175.870 176.117 0.025 0.000 1.028 258 I CA -0.896 60.411 61.300 0.011 0.000 1.077 258 I CB 1.207 39.216 38.000 0.014 0.000 1.274 258 I HN 0.569 nan 8.210 nan 0.000 0.485 259 E N 1.801 122.025 120.200 0.040 0.000 2.422 259 E HA 0.596 4.946 4.350 0.000 0.000 0.289 259 E C -1.274 175.367 176.600 0.069 0.000 0.985 259 E CA -0.981 55.447 56.400 0.046 0.000 0.812 259 E CB 1.736 31.460 29.700 0.040 0.000 1.226 259 E HN 1.156 nan 8.360 nan 0.000 0.419 260 A N 2.802 125.662 122.820 0.066 0.000 2.608 260 A HA 0.207 4.527 4.320 0.000 0.000 0.239 260 A C 1.293 178.947 177.584 0.116 0.000 1.018 260 A CA 1.111 53.196 52.037 0.081 0.000 0.766 260 A CB 0.128 19.163 19.000 0.060 0.000 0.928 260 A HN 0.852 nan 8.150 nan 0.000 0.512 261 A N 2.946 125.866 122.820 0.167 0.000 1.883 261 A HA -0.071 4.249 4.320 0.000 0.000 0.217 261 A C 2.453 180.165 177.584 0.214 0.000 1.186 261 A CA 2.539 54.753 52.037 0.295 0.000 0.624 261 A CB -1.077 18.127 19.000 0.339 0.000 0.822 261 A HN 1.718 nan 8.150 nan 0.000 0.444 262 S N -0.558 115.211 115.700 0.115 0.000 2.321 262 S HA 0.328 4.798 4.470 0.000 0.000 0.188 262 S C 1.773 176.416 174.600 0.071 0.000 1.080 262 S CA 0.772 59.018 58.200 0.077 0.000 1.198 262 S CB -1.539 61.684 63.200 0.037 0.000 0.926 262 S HN 0.870 nan 8.310 nan 0.000 0.426 263 G N 0.743 109.574 108.800 0.051 0.000 2.190 263 G HA2 0.354 4.314 3.960 0.000 0.000 0.295 263 G HA3 0.354 4.314 3.960 0.000 0.000 0.295 263 G C 0.568 175.497 174.900 0.047 0.000 1.507 263 G CA 0.201 45.327 45.100 0.042 0.000 1.034 263 G HN 1.513 nan 8.290 nan 0.000 0.483 264 G N -1.481 107.342 108.800 0.039 0.000 5.233 264 G HA2 0.352 4.312 3.960 0.000 0.000 0.203 264 G HA3 0.352 4.312 3.960 0.000 0.000 0.203 264 G C 0.048 174.966 174.900 0.031 0.000 0.734 264 G CA -0.350 44.772 45.100 0.037 0.000 0.662 264 G HN 0.240 nan 8.290 nan 0.000 0.468 265 K N 1.953 122.373 120.400 0.033 0.000 2.449 265 K HA 0.425 4.745 4.320 0.000 0.000 0.237 265 K C 1.069 177.685 176.600 0.027 0.000 1.265 265 K CA -0.147 56.157 56.287 0.028 0.000 1.193 265 K CB 0.219 32.736 32.500 0.028 0.000 1.515 265 K HN 0.517 nan 8.250 nan 0.000 0.259 266 A N 1.417 124.251 122.820 0.024 0.000 2.475 266 A HA 0.130 4.450 4.320 0.000 0.000 0.239 266 A C 0.286 177.879 177.584 0.016 0.000 1.087 266 A CA 0.407 52.456 52.037 0.020 0.000 0.779 266 A CB 0.391 19.401 19.000 0.016 0.000 1.036 266 A HN 0.638 nan 8.150 nan 0.000 0.506 267 E N -1.106 119.101 120.200 0.012 0.000 2.403 267 E HA 0.490 4.840 4.350 0.000 0.000 0.280 267 E C -2.155 174.445 176.600 0.001 0.000 1.101 267 E CA -0.604 55.801 56.400 0.008 0.000 0.856 267 E CB 1.934 31.641 29.700 0.012 0.000 1.303 267 E HN 0.467 nan 8.360 nan 0.000 0.441 268 V N 3.048 122.959 119.914 -0.004 0.000 2.577 268 V HA 0.474 4.594 4.120 0.000 0.000 0.303 268 V C -0.339 175.745 176.094 -0.017 0.000 1.042 268 V CA -0.633 61.659 62.300 -0.013 0.000 0.872 268 V CB 1.563 33.377 31.823 -0.015 0.000 0.998 268 V HN 0.483 nan 8.190 nan 0.000 0.423 269 I N 3.400 123.955 120.570 -0.024 0.000 2.437 269 I HA 0.508 4.678 4.170 0.000 0.000 0.298 269 I C 0.130 176.223 176.117 -0.041 0.000 0.984 269 I CA -0.222 61.060 61.300 -0.030 0.000 1.214 269 I CB 2.082 40.063 38.000 -0.032 0.000 1.365 269 I HN 0.625 nan 8.210 nan 0.000 0.469 270 T N 5.240 119.768 114.554 -0.042 0.000 2.848 270 T HA 0.612 4.962 4.350 0.000 0.000 0.285 270 T C -0.623 174.042 174.700 -0.058 0.000 0.995 270 T CA -0.446 61.625 62.100 -0.048 0.000 0.970 270 T CB 0.759 69.603 68.868 -0.040 0.000 0.976 270 T HN 0.887 nan 8.240 nan 0.000 0.441 271 C N 2.673 121.932 119.300 -0.069 0.000 3.213 271 C HA 0.747 5.207 4.460 0.000 0.000 0.319 271 C C 0.793 175.731 174.990 -0.087 0.000 1.386 271 C CA -0.598 58.371 59.018 -0.082 0.000 1.494 271 C CB 0.837 28.520 27.740 -0.096 0.000 1.905 271 C HN 0.784 nan 8.230 nan 0.000 0.456 272 D N -0.182 120.158 120.400 -0.101 0.000 2.301 272 D HA 0.264 4.904 4.640 0.000 0.000 0.206 272 D C 0.113 176.336 176.300 -0.129 0.000 0.979 272 D CA 1.012 54.947 54.000 -0.108 0.000 0.874 272 D CB 0.432 41.162 40.800 -0.117 0.000 0.968 272 D HN 0.489 nan 8.370 nan 0.000 0.510 273 V N 1.160 120.985 119.914 -0.148 0.000 2.711 273 V HA 0.286 4.406 4.120 0.000 0.000 0.304 273 V C -1.445 174.556 176.094 -0.153 0.000 1.097 273 V CA -0.969 61.229 62.300 -0.170 0.000 0.906 273 V CB 2.639 34.316 31.823 -0.245 0.000 1.015 273 V HN -0.124 nan 8.190 nan 0.000 0.427 274 L N 5.454 126.597 121.223 -0.134 0.000 2.276 274 L HA 0.580 4.920 4.340 0.000 0.000 0.286 274 L C -0.628 176.177 176.870 -0.108 0.000 1.024 274 L CA -0.022 54.745 54.840 -0.122 0.000 0.826 274 L CB 1.152 43.138 42.059 -0.122 0.000 1.211 274 L HN 0.680 nan 8.230 nan 0.000 0.422 275 L N 6.333 127.501 121.223 -0.092 0.000 2.260 275 L HA 0.448 4.788 4.340 0.000 0.000 0.289 275 L C -0.910 175.941 176.870 -0.032 0.000 1.057 275 L CA -0.530 54.279 54.840 -0.053 0.000 0.811 275 L CB 1.246 43.290 42.059 -0.025 0.000 1.184 275 L HN 0.404 nan 8.230 nan 0.000 0.429 276 V N 5.314 125.217 119.914 -0.018 0.000 2.259 276 V HA 0.162 4.282 4.120 0.000 0.000 0.267 276 V C -0.062 176.065 176.094 0.056 0.000 1.051 276 V CA -0.500 61.799 62.300 -0.001 0.000 0.830 276 V CB 0.555 32.365 31.823 -0.022 0.000 1.080 276 V HN 0.931 nan 8.190 nan 0.000 0.467 277 C N 3.313 122.661 119.300 0.080 0.000 3.002 277 C HA 0.578 5.038 4.460 0.000 0.000 0.248 277 C C 1.057 176.123 174.990 0.126 0.000 1.153 277 C CA -0.680 58.400 59.018 0.103 0.000 1.502 277 C CB -0.940 26.861 27.740 0.102 0.000 1.805 277 C HN 0.712 nan 8.230 nan 0.000 0.450 278 I N 2.038 122.695 120.570 0.144 0.000 2.617 278 I HA 0.319 4.489 4.170 0.000 0.000 0.256 278 I C 1.675 177.863 176.117 0.118 0.000 1.167 278 I CA 1.905 63.295 61.300 0.150 0.000 1.469 278 I CB 0.065 38.159 38.000 0.157 0.000 1.098 278 I HN 0.988 nan 8.210 nan 0.000 0.436 279 G N 0.190 109.054 108.800 0.106 0.000 2.351 279 G HA2 0.286 4.246 3.960 0.000 0.000 0.279 279 G HA3 0.286 4.246 3.960 0.000 0.000 0.279 279 G C -1.232 173.717 174.900 0.081 0.000 1.297 279 G CA -0.890 44.265 45.100 0.092 0.000 0.886 279 G HN -0.050 nan 8.290 nan 0.000 0.493 280 R N -0.663 119.881 120.500 0.073 0.000 2.836 280 R HA 0.754 5.094 4.340 0.000 0.000 0.269 280 R C -0.510 175.830 176.300 0.067 0.000 1.010 280 R CA -0.969 55.172 56.100 0.069 0.000 0.930 280 R CB 2.489 32.826 30.300 0.062 0.000 1.218 280 R HN 0.851 nan 8.270 nan 0.000 0.473 281 R N -0.154 120.393 120.500 0.078 0.000 2.795 281 R HA 0.556 4.896 4.340 0.000 0.000 0.275 281 R C -2.923 173.441 176.300 0.105 0.000 0.981 281 R CA -2.249 53.898 56.100 0.079 0.000 0.917 281 R CB 0.984 31.328 30.300 0.074 0.000 1.202 281 R HN 0.211 nan 8.270 nan 0.000 0.469 282 P HA -0.035 nan 4.420 nan 0.000 0.269 282 P C -1.292 176.111 177.300 0.172 0.000 1.217 282 P CA -0.012 63.154 63.100 0.111 0.000 0.783 282 P CB 0.299 32.040 31.700 0.068 0.000 0.898 283 F N 1.110 121.075 119.950 0.024 0.000 2.460 283 F HA 0.396 4.923 4.527 0.000 0.000 0.341 283 F C 0.430 176.249 175.800 0.030 0.000 1.130 283 F CA 0.047 58.064 58.000 0.028 0.000 0.962 283 F CB 1.378 40.391 39.000 0.020 0.000 1.171 283 F HN 0.123 nan 8.300 nan 0.000 0.436 284 T N 3.426 117.725 114.554 -0.425 0.000 3.192 284 T HA 0.096 4.446 4.350 0.000 0.000 0.295 284 T C 0.051 174.552 174.700 -0.331 0.000 0.947 284 T CA -0.358 61.598 62.100 -0.239 0.000 0.916 284 T CB -0.182 68.618 68.868 -0.113 0.000 1.169 284 T HN 0.357 nan 8.240 nan 0.000 0.540 285 K N 2.508 122.473 120.400 -0.725 0.000 2.511 285 K HA -0.002 4.318 4.320 0.000 0.000 0.280 285 K C 0.520 177.088 176.600 -0.053 0.000 1.008 285 K CA 0.737 56.762 56.287 -0.437 0.000 1.050 285 K CB -0.263 31.851 32.500 -0.643 0.000 0.889 285 K HN 0.262 nan 8.250 nan 0.000 0.484 286 N N 1.598 120.294 118.700 -0.006 0.000 2.681 286 N HA -0.266 4.474 4.740 0.000 0.000 0.250 286 N C 0.230 175.825 175.510 0.142 0.000 1.133 286 N CA 0.515 53.600 53.050 0.058 0.000 0.732 286 N CB -0.634 37.851 38.487 -0.002 0.000 1.107 286 N HN 0.444 nan 8.380 nan 0.000 0.559 287 L N -0.504 120.777 121.223 0.098 0.000 2.270 287 L HA 0.241 4.581 4.340 0.000 0.000 0.210 287 L C 1.431 178.337 176.870 0.060 0.000 1.104 287 L CA 2.027 56.926 54.840 0.099 0.000 0.804 287 L CB -0.162 41.929 42.059 0.053 0.000 0.937 287 L HN 0.325 nan 8.230 nan 0.000 0.450 288 G N -0.762 108.056 108.800 0.030 0.000 2.207 288 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 288 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 288 G C 0.719 175.625 174.900 0.010 0.000 1.053 288 G CA 0.388 45.498 45.100 0.017 0.000 0.764 288 G HN 0.367 nan 8.290 nan 0.000 0.495 289 L N -0.821 120.404 121.223 0.003 0.000 2.109 289 L HA 0.024 4.364 4.340 0.000 0.000 0.207 289 L C 2.754 179.621 176.870 -0.004 0.000 1.086 289 L CA 1.656 56.496 54.840 0.001 0.000 0.760 289 L CB -0.448 41.610 42.059 -0.002 0.000 0.910 289 L HN 0.300 nan 8.230 nan 0.000 0.437 290 E N 1.292 121.487 120.200 -0.009 0.000 2.068 290 E HA -0.275 4.075 4.350 0.000 0.000 0.207 290 E C 1.465 178.061 176.600 -0.008 0.000 1.032 290 E CA 1.838 58.232 56.400 -0.010 0.000 0.839 290 E CB -0.416 29.276 29.700 -0.013 0.000 0.758 290 E HN 0.608 nan 8.360 nan 0.000 0.457 291 E N 0.326 120.523 120.200 -0.005 0.000 2.330 291 E HA 0.038 4.388 4.350 0.000 0.000 0.210 291 E C 0.449 177.047 176.600 -0.003 0.000 1.256 291 E CA 0.130 56.528 56.400 -0.004 0.000 1.346 291 E CB -0.052 29.646 29.700 -0.003 0.000 1.308 291 E HN 0.261 nan 8.360 nan 0.000 0.441 292 L N -0.920 120.301 121.223 -0.004 0.000 3.515 292 L HA 0.275 4.615 4.340 0.000 0.000 0.322 292 L C 1.193 178.058 176.870 -0.007 0.000 1.225 292 L CA 0.329 55.167 54.840 -0.004 0.000 1.104 292 L CB 1.110 43.168 42.059 -0.002 0.000 1.506 292 L HN 0.406 nan 8.230 nan 0.000 0.624 293 G N 1.052 109.848 108.800 -0.007 0.000 2.155 293 G HA2 -0.283 3.677 3.960 0.000 0.000 0.257 293 G HA3 -0.283 3.677 3.960 0.000 0.000 0.257 293 G C 0.362 175.256 174.900 -0.010 0.000 0.983 293 G CA 0.250 45.345 45.100 -0.009 0.000 0.676 293 G HN 0.279 nan 8.290 nan 0.000 0.528 294 I N 1.247 121.811 120.570 -0.009 0.000 2.379 294 I HA 0.263 4.433 4.170 0.000 0.000 0.290 294 I C 0.349 176.462 176.117 -0.007 0.000 1.063 294 I CA 0.059 61.354 61.300 -0.008 0.000 1.351 294 I CB 0.567 38.564 38.000 -0.005 0.000 1.410 294 I HN 0.177 nan 8.210 nan 0.000 0.505 295 E N 6.284 126.479 120.200 -0.007 0.000 2.171 295 E HA 0.420 4.770 4.350 0.000 0.000 0.271 295 E C -1.107 175.490 176.600 -0.005 0.000 0.916 295 E CA -1.122 55.273 56.400 -0.007 0.000 0.774 295 E CB 2.258 31.954 29.700 -0.008 0.000 1.128 295 E HN 0.281 nan 8.360 nan 0.000 0.403 296 L N 3.829 125.048 121.223 -0.006 0.000 2.453 296 L HA 0.013 4.353 4.340 0.000 0.000 0.272 296 L C 0.837 177.706 176.870 -0.002 0.000 1.182 296 L CA 0.094 54.932 54.840 -0.003 0.000 0.858 296 L CB -0.320 41.735 42.059 -0.007 0.000 1.120 296 L HN 0.590 nan 8.230 nan 0.000 0.474 297 D N 5.297 125.698 120.400 0.001 0.000 2.300 297 D HA -0.048 4.592 4.640 0.000 0.000 0.235 297 D C -1.847 174.454 176.300 0.001 0.000 1.338 297 D CA -0.994 53.006 54.000 0.001 0.000 0.903 297 D CB -0.223 40.578 40.800 0.002 0.000 1.180 297 D HN 0.421 nan 8.370 nan 0.000 0.485 298 P HA 0.020 nan 4.420 nan 0.000 0.242 298 P C 0.664 177.966 177.300 0.004 0.000 1.197 298 P CA 0.615 63.716 63.100 0.001 0.000 0.765 298 P CB 0.147 31.848 31.700 0.002 0.000 0.936 299 R N -1.110 119.393 120.500 0.006 0.000 2.362 299 R HA 0.314 4.654 4.340 0.000 0.000 0.227 299 R C 1.336 177.643 176.300 0.012 0.000 0.905 299 R CA 0.608 56.714 56.100 0.010 0.000 1.067 299 R CB 0.037 30.344 30.300 0.012 0.000 1.078 299 R HN 0.169 nan 8.270 nan 0.000 0.516 300 G N 1.140 109.945 108.800 0.008 0.000 2.234 300 G HA2 -0.297 3.663 3.960 0.000 0.000 0.235 300 G HA3 -0.297 3.663 3.960 0.000 0.000 0.235 300 G C 0.200 175.108 174.900 0.012 0.000 0.997 300 G CA -0.272 44.832 45.100 0.007 0.000 0.623 300 G HN 0.217 nan 8.290 nan 0.000 0.514 301 R N -0.106 120.404 120.500 0.016 0.000 2.615 301 R HA 0.675 5.015 4.340 0.000 0.000 0.270 301 R C 0.498 176.812 176.300 0.022 0.000 1.081 301 R CA -0.295 55.819 56.100 0.023 0.000 1.154 301 R CB 0.570 30.883 30.300 0.020 0.000 1.063 301 R HN 0.264 nan 8.270 nan 0.000 0.519 302 I N 4.332 124.923 120.570 0.035 0.000 2.312 302 I HA 0.209 4.379 4.170 0.000 0.000 0.291 302 I C -1.838 174.300 176.117 0.035 0.000 1.031 302 I CA -2.044 59.277 61.300 0.034 0.000 1.293 302 I CB 1.385 39.414 38.000 0.049 0.000 1.403 302 I HN 0.337 nan 8.210 nan 0.000 0.484 303 P HA 0.139 nan 4.420 nan 0.000 0.276 303 P C -0.803 176.499 177.300 0.004 0.000 1.253 303 P CA 0.007 63.111 63.100 0.007 0.000 0.766 303 P CB 0.917 32.616 31.700 -0.003 0.000 0.845 304 V N 1.303 121.217 119.914 -0.001 0.000 3.102 304 V HA 0.619 4.739 4.120 0.000 0.000 0.312 304 V C 0.028 176.074 176.094 -0.080 0.000 1.135 304 V CA -1.262 61.026 62.300 -0.020 0.000 1.022 304 V CB 1.727 33.575 31.823 0.042 0.000 1.056 304 V HN 0.642 nan 8.190 nan 0.000 0.436 305 N N -0.567 118.065 118.700 -0.113 0.000 2.604 305 N HA 0.285 5.025 4.740 0.000 0.000 0.297 305 N C 0.970 176.340 175.510 -0.234 0.000 1.266 305 N CA -0.006 52.968 53.050 -0.128 0.000 0.961 305 N CB 1.409 39.842 38.487 -0.091 0.000 1.166 305 N HN 0.702 nan 8.380 nan 0.000 0.601 306 T N -1.317 113.125 114.554 -0.187 0.000 2.946 306 T HA -0.051 4.299 4.350 0.000 0.000 0.271 306 T C 1.081 175.622 174.700 -0.266 0.000 1.104 306 T CA 1.111 63.068 62.100 -0.239 0.000 1.114 306 T CB -0.401 68.403 68.868 -0.106 0.000 0.867 306 T HN 0.413 nan 8.240 nan 0.000 0.513 307 R N -0.830 119.596 120.500 -0.124 0.000 2.334 307 R HA 0.205 4.545 4.340 0.000 0.000 0.216 307 R C 0.228 176.728 176.300 0.332 0.000 0.905 307 R CA 0.058 56.222 56.100 0.106 0.000 1.064 307 R CB 0.046 30.442 30.300 0.160 0.000 1.046 307 R HN 0.459 nan 8.270 nan 0.000 0.508 308 F N -0.116 119.916 119.950 0.137 0.000 2.482 308 F HA -0.231 4.296 4.527 0.000 0.000 0.321 308 F C 0.054 175.926 175.800 0.119 0.000 0.626 308 F CA 0.284 58.391 58.000 0.179 0.000 1.642 308 F CB -1.719 37.428 39.000 0.244 0.000 2.098 308 F HN 0.057 nan 8.300 nan 0.000 0.295 309 Q N 0.071 119.855 119.800 -0.027 0.000 2.260 309 Q HA 0.596 4.936 4.340 0.000 0.000 0.238 309 Q C 0.880 176.787 176.000 -0.154 0.000 0.948 309 Q CA 0.093 55.686 55.803 -0.351 0.000 0.895 309 Q CB 1.323 29.760 28.738 -0.502 0.000 1.218 309 Q HN 0.329 nan 8.270 nan 0.000 0.470 310 T N -2.009 112.453 114.554 -0.153 0.000 2.888 310 T HA 0.246 4.596 4.350 0.000 0.000 0.283 310 T C 0.963 175.612 174.700 -0.086 0.000 1.013 310 T CA -0.874 61.181 62.100 -0.075 0.000 0.938 310 T CB 0.505 69.349 68.868 -0.041 0.000 1.298 310 T HN 0.283 nan 8.240 nan 0.000 0.580 311 K N -0.182 120.185 120.400 -0.055 0.000 2.144 311 K HA -0.014 4.306 4.320 0.000 0.000 0.209 311 K C 0.663 177.226 176.600 -0.062 0.000 1.047 311 K CA 1.052 57.308 56.287 -0.051 0.000 0.927 311 K CB -1.070 31.410 32.500 -0.033 0.000 0.716 311 K HN 0.597 nan 8.250 nan 0.000 0.454 312 I N 1.803 122.334 120.570 -0.066 0.000 2.337 312 I HA 0.057 4.227 4.170 0.000 0.000 0.291 312 I C -1.652 174.392 176.117 -0.121 0.000 1.046 312 I CA -1.927 59.331 61.300 -0.070 0.000 1.324 312 I CB 1.424 39.398 38.000 -0.044 0.000 1.409 312 I HN -0.082 nan 8.210 nan 0.000 0.494 313 P HA -0.150 nan 4.420 nan 0.000 0.220 313 P C 0.553 177.708 177.300 -0.242 0.000 1.144 313 P CA 1.194 64.194 63.100 -0.165 0.000 0.800 313 P CB -0.006 31.643 31.700 -0.085 0.000 0.772 314 N N -1.436 117.178 118.700 -0.143 0.000 2.184 314 N HA 0.053 4.793 4.740 0.000 0.000 0.206 314 N C 0.017 175.544 175.510 0.029 0.000 1.151 314 N CA 0.011 53.045 53.050 -0.026 0.000 0.878 314 N CB 0.311 38.824 38.487 0.043 0.000 1.014 314 N HN 0.154 nan 8.380 nan 0.000 0.512 315 I N 1.979 122.490 120.570 -0.098 0.000 2.321 315 I HA 0.280 4.450 4.170 0.000 0.000 0.291 315 I C -0.742 175.362 176.117 -0.022 0.000 0.998 315 I CA -0.852 60.463 61.300 0.025 0.000 1.227 315 I CB 0.470 38.478 38.000 0.013 0.000 1.368 315 I HN -0.133 nan 8.210 nan 0.000 0.466 316 Y N 4.563 124.882 120.300 0.031 0.000 2.602 316 Y HA 0.849 5.399 4.550 0.000 0.000 0.330 316 Y C 0.191 176.130 175.900 0.066 0.000 1.114 316 Y CA -1.866 56.276 58.100 0.071 0.000 1.182 316 Y CB 1.384 39.899 38.460 0.092 0.000 1.305 316 Y HN 0.516 nan 8.280 nan 0.000 0.502 317 A N 2.261 125.259 122.820 0.296 0.000 2.459 317 A HA 0.809 5.129 4.320 0.000 0.000 0.296 317 A C -1.411 176.297 177.584 0.206 0.000 1.039 317 A CA -0.592 51.560 52.037 0.192 0.000 0.698 317 A CB 1.262 20.354 19.000 0.153 0.000 1.261 317 A HN 0.717 nan 8.150 nan 0.000 0.405 318 I N -0.559 120.058 120.570 0.077 0.000 3.191 318 I HA 0.962 5.132 4.170 0.000 0.000 0.313 318 I C 0.379 176.503 176.117 0.011 0.000 1.193 318 I CA 0.216 61.514 61.300 -0.003 0.000 0.968 318 I CB 1.258 39.108 38.000 -0.251 0.000 1.262 318 I HN 2.161 nan 8.210 nan 0.000 0.456 319 G N 3.658 112.463 108.800 0.008 0.000 2.475 319 G HA2 -0.196 3.764 3.960 0.000 0.000 0.223 319 G HA3 -0.196 3.764 3.960 0.000 0.000 0.223 319 G C -0.001 174.915 174.900 0.026 0.000 1.201 319 G CA 0.383 45.485 45.100 0.004 0.000 0.962 319 G HN 0.700 nan 8.290 nan 0.000 0.586 320 D N -0.129 120.287 120.400 0.026 0.000 2.323 320 D HA 0.099 4.739 4.640 0.000 0.000 0.209 320 D C 2.460 178.788 176.300 0.048 0.000 0.973 320 D CA 1.006 55.024 54.000 0.029 0.000 0.874 320 D CB 0.368 41.188 40.800 0.033 0.000 0.930 320 D HN 0.264 nan 8.370 nan 0.000 0.521 321 V N 1.048 121.000 119.914 0.063 0.000 2.626 321 V HA -0.098 4.022 4.120 0.000 0.000 0.252 321 V C 1.243 177.377 176.094 0.067 0.000 1.067 321 V CA 0.866 63.209 62.300 0.071 0.000 1.081 321 V CB 0.162 32.033 31.823 0.080 0.000 0.686 321 V HN 0.038 nan 8.190 nan 0.000 0.468 322 V N -1.743 118.219 119.914 0.079 0.000 3.302 322 V HA 0.885 5.005 4.120 0.000 0.000 0.316 322 V C 0.260 176.383 176.094 0.048 0.000 1.111 322 V CA -0.582 61.772 62.300 0.090 0.000 1.029 322 V CB 1.137 33.068 31.823 0.178 0.000 1.170 322 V HN 0.208 nan 8.190 nan 0.000 0.452 323 A N -0.116 122.721 122.820 0.028 0.000 2.287 323 A HA 0.889 5.209 4.320 0.000 0.000 0.273 323 A C 0.745 178.249 177.584 -0.133 0.000 1.091 323 A CA 0.342 52.356 52.037 -0.038 0.000 0.817 323 A CB -0.034 18.941 19.000 -0.042 0.000 1.069 323 A HN 2.892 nan 8.150 nan 0.000 0.492 324 G N -0.167 108.510 108.800 -0.204 0.000 2.422 324 G HA2 0.211 4.171 3.960 0.000 0.000 0.607 324 G HA3 0.211 4.171 3.960 0.000 0.000 0.607 324 G C -3.197 171.583 174.900 -0.199 0.000 1.270 324 G CA -0.468 44.417 45.100 -0.358 0.000 0.992 324 G HN 0.828 nan 8.290 nan 0.000 0.499 325 P HA 0.467 nan 4.420 nan 0.000 0.271 325 P C 0.186 177.432 177.300 -0.090 0.000 1.218 325 P CA -0.144 62.891 63.100 -0.108 0.000 0.780 325 P CB 0.397 32.029 31.700 -0.113 0.000 0.901 326 M N 2.602 122.172 119.600 -0.050 0.000 3.396 326 M HA 0.240 4.720 4.480 0.000 0.000 0.255 326 M C -0.601 175.668 176.300 -0.051 0.000 1.398 326 M CA 0.216 55.495 55.300 -0.036 0.000 1.554 326 M CB -0.605 31.995 32.600 0.001 0.000 1.070 326 M HN 0.174 nan 8.290 nan 0.000 0.587 327 L N -0.546 120.606 121.223 -0.118 0.000 2.341 327 L HA 0.645 4.985 4.340 0.000 0.000 0.267 327 L C 1.191 177.959 176.870 -0.170 0.000 1.009 327 L CA -0.597 54.142 54.840 -0.168 0.000 0.819 327 L CB 1.730 43.566 42.059 -0.371 0.000 1.323 327 L HN 0.486 nan 8.230 nan 0.000 0.425 328 A N 0.749 123.531 122.820 -0.062 0.000 1.865 328 A HA -0.209 4.111 4.320 0.000 0.000 0.217 328 A C 2.024 179.597 177.584 -0.018 0.000 1.191 328 A CA 1.946 53.983 52.037 -0.000 0.000 0.623 328 A CB -0.922 18.124 19.000 0.077 0.000 0.826 328 A HN 0.959 nan 8.150 nan 0.000 0.444 329 H N -0.867 118.191 119.070 -0.020 0.000 2.457 329 H HA -0.045 4.511 4.556 0.000 0.000 0.294 329 H C 1.718 177.035 175.328 -0.019 0.000 1.064 329 H CA 1.434 57.465 56.048 -0.027 0.000 1.330 329 H CB -0.395 29.350 29.762 -0.028 0.000 1.395 329 H HN 0.464 nan 8.280 nan 0.000 0.541 330 K N 1.856 122.076 120.400 -0.301 0.000 2.031 330 K HA 0.014 4.334 4.320 0.000 0.000 0.205 330 K C 2.322 178.890 176.600 -0.054 0.000 1.049 330 K CA 1.226 57.432 56.287 -0.135 0.000 0.939 330 K CB -0.359 32.043 32.500 -0.163 0.000 0.717 330 K HN 0.288 nan 8.250 nan 0.000 0.438 331 A N 1.343 124.116 122.820 -0.079 0.000 1.933 331 A HA -0.170 4.150 4.320 0.000 0.000 0.218 331 A C 2.052 179.572 177.584 -0.106 0.000 1.175 331 A CA 1.813 53.806 52.037 -0.073 0.000 0.628 331 A CB -0.486 18.477 19.000 -0.062 0.000 0.814 331 A HN 0.601 nan 8.150 nan 0.000 0.444 332 E N -0.745 119.396 120.200 -0.098 0.000 2.274 332 E HA -0.171 4.179 4.350 0.000 0.000 0.194 332 E C 1.184 177.713 176.600 -0.118 0.000 0.996 332 E CA 1.104 57.426 56.400 -0.129 0.000 0.840 332 E CB -0.024 29.614 29.700 -0.102 0.000 0.772 332 E HN 0.649 nan 8.360 nan 0.000 0.491 333 D N -0.042 120.307 120.400 -0.084 0.000 2.149 333 D HA -0.069 4.571 4.640 0.000 0.000 0.206 333 D C 1.546 177.768 176.300 -0.131 0.000 0.967 333 D CA 0.704 54.658 54.000 -0.076 0.000 0.848 333 D CB 0.209 40.991 40.800 -0.029 0.000 0.998 333 D HN 0.139 nan 8.370 nan 0.000 0.474 334 E N 0.232 120.335 120.200 -0.162 0.000 2.065 334 E HA -0.215 4.135 4.350 0.000 0.000 0.201 334 E C 2.193 178.499 176.600 -0.490 0.000 1.016 334 E CA 1.192 57.338 56.400 -0.424 0.000 0.818 334 E CB -0.335 29.122 29.700 -0.404 0.000 0.749 334 E HN 0.322 nan 8.360 nan 0.000 0.453 335 G N 1.337 109.950 108.800 -0.311 0.000 2.529 335 G HA2 -0.291 3.669 3.960 0.000 0.000 0.219 335 G HA3 -0.291 3.669 3.960 0.000 0.000 0.219 335 G C 1.594 176.370 174.900 -0.207 0.000 1.177 335 G CA 1.114 46.064 45.100 -0.250 0.000 0.773 335 G HN 0.141 nan 8.290 nan 0.000 0.573 336 I N 1.429 121.900 120.570 -0.164 0.000 2.133 336 I HA -0.120 4.050 4.170 0.000 0.000 0.238 336 I C 2.814 178.875 176.117 -0.094 0.000 1.074 336 I CA 1.367 62.600 61.300 -0.112 0.000 1.342 336 I CB -0.373 37.575 38.000 -0.087 0.000 1.053 336 I HN 0.313 nan 8.210 nan 0.000 0.404 337 I N -1.053 119.461 120.570 -0.095 0.000 2.423 337 I HA -0.304 3.866 4.170 0.000 0.000 0.254 337 I C 2.846 178.957 176.117 -0.010 0.000 1.151 337 I CA 1.192 62.474 61.300 -0.030 0.000 1.421 337 I CB -1.041 36.968 38.000 0.016 0.000 1.079 337 I HN 0.355 nan 8.210 nan 0.000 0.431 338 C N 1.919 121.137 119.300 -0.136 0.000 2.436 338 C HA -0.091 4.369 4.460 0.000 0.000 0.277 338 C C 2.862 177.776 174.990 -0.126 0.000 1.241 338 C CA 1.327 60.271 59.018 -0.123 0.000 1.721 338 C CB -0.934 26.601 27.740 -0.342 0.000 2.043 338 C HN 0.605 nan 8.230 nan 0.000 0.472 339 V N -1.330 118.509 119.914 -0.125 0.000 3.573 339 V HA 0.121 4.241 4.120 0.000 0.000 0.270 339 V C 1.901 178.022 176.094 0.045 0.000 1.221 339 V CA 1.906 64.165 62.300 -0.069 0.000 1.163 339 V CB -0.869 30.939 31.823 -0.025 0.000 0.847 339 V HN 0.659 nan 8.190 nan 0.000 0.468 340 E N 1.146 121.354 120.200 0.014 0.000 2.166 340 E HA 0.124 4.474 4.350 0.000 0.000 0.192 340 E C 2.232 178.865 176.600 0.056 0.000 0.967 340 E CA 0.787 57.206 56.400 0.030 0.000 0.840 340 E CB -0.189 29.515 29.700 0.007 0.000 0.795 340 E HN 0.670 nan 8.360 nan 0.000 0.470 341 G N 1.294 110.131 108.800 0.061 0.000 2.440 341 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 341 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 341 G C 1.463 176.427 174.900 0.106 0.000 1.154 341 G CA 0.766 45.924 45.100 0.097 0.000 0.767 341 G HN 0.176 nan 8.290 nan 0.000 0.552 342 M N 0.748 120.383 119.600 0.059 0.000 2.700 342 M HA 0.198 4.678 4.480 0.000 0.000 0.249 342 M C 1.947 178.380 176.300 0.221 0.000 1.082 342 M CA 0.866 56.205 55.300 0.064 0.000 1.077 342 M CB 0.156 32.654 32.600 -0.169 0.000 1.477 342 M HN 0.280 nan 8.290 nan 0.000 0.529 343 A N -0.296 122.644 122.820 0.200 0.000 2.571 343 A HA 0.613 4.933 4.320 0.000 0.000 0.274 343 A C 1.383 179.019 177.584 0.086 0.000 1.196 343 A CA 0.345 52.489 52.037 0.178 0.000 0.957 343 A CB 0.170 19.208 19.000 0.062 0.000 1.150 343 A HN 0.567 nan 8.150 nan 0.000 0.539 344 G N -1.325 107.527 108.800 0.086 0.000 2.316 344 G HA2 0.016 3.976 3.960 0.000 0.000 0.203 344 G HA3 0.016 3.976 3.960 0.000 0.000 0.203 344 G C 0.857 175.788 174.900 0.051 0.000 0.999 344 G CA 0.080 45.217 45.100 0.061 0.000 0.649 344 G HN 1.336 nan 8.290 nan 0.000 0.489 345 G N 0.586 109.416 108.800 0.049 0.000 2.653 345 G HA2 0.696 4.656 3.960 0.000 0.000 0.265 345 G HA3 0.696 4.656 3.960 0.000 0.000 0.265 345 G C 0.850 175.781 174.900 0.051 0.000 1.237 345 G CA 0.658 45.782 45.100 0.039 0.000 0.946 345 G HN 1.476 nan 8.290 nan 0.000 0.522 346 A N -1.724 121.123 122.820 0.045 0.000 2.325 346 A HA 0.482 4.802 4.320 0.000 0.000 0.260 346 A C 0.904 178.535 177.584 0.078 0.000 1.133 346 A CA 0.707 52.777 52.037 0.055 0.000 0.801 346 A CB 0.487 19.515 19.000 0.047 0.000 1.092 346 A HN 1.834 nan 8.150 nan 0.000 0.504 347 V N -2.751 117.220 119.914 0.094 0.000 3.861 347 V HA 0.246 4.366 4.120 0.000 0.000 0.454 347 V C 0.202 176.356 176.094 0.100 0.000 1.667 347 V CA 0.023 62.394 62.300 0.117 0.000 1.793 347 V CB -1.316 30.588 31.823 0.135 0.000 1.098 347 V HN 0.979 nan 8.190 nan 0.000 0.544 348 H N 1.911 120.975 119.070 -0.009 0.000 2.722 348 H HA 0.664 5.220 4.556 0.000 0.000 0.328 348 H C -1.096 174.189 175.328 -0.073 0.000 1.067 348 H CA 0.402 56.420 56.048 -0.050 0.000 1.447 348 H CB 1.832 31.566 29.762 -0.047 0.000 1.469 348 H HN 0.575 nan 8.280 nan 0.000 0.544 349 I N 5.242 125.464 120.570 -0.581 0.000 2.534 349 I HA 0.113 4.283 4.170 0.000 0.000 0.288 349 I C -1.389 174.233 176.117 -0.826 0.000 1.077 349 I CA -0.808 60.132 61.300 -0.600 0.000 1.051 349 I CB 1.856 39.605 38.000 -0.418 0.000 1.234 349 I HN 0.553 nan 8.210 nan 0.000 0.425 350 D N 6.281 126.298 120.400 -0.639 0.000 2.396 350 D HA 0.175 4.815 4.640 0.000 0.000 0.225 350 D C 0.194 176.367 176.300 -0.211 0.000 1.121 350 D CA -0.004 53.759 54.000 -0.395 0.000 0.853 350 D CB 0.594 41.292 40.800 -0.169 0.000 1.043 350 D HN 0.409 nan 8.370 nan 0.000 0.500 351 Y N 2.405 122.665 120.300 -0.067 0.000 2.680 351 Y HA -0.028 4.522 4.550 0.000 0.000 0.303 351 Y C 1.803 177.699 175.900 -0.008 0.000 1.166 351 Y CA 0.505 58.588 58.100 -0.029 0.000 1.344 351 Y CB -0.440 38.011 38.460 -0.015 0.000 1.002 351 Y HN 0.435 nan 8.280 nan 0.000 0.537 352 N N -1.793 116.986 118.700 0.132 0.000 2.270 352 N HA 0.016 4.756 4.740 0.000 0.000 0.198 352 N C 0.731 176.283 175.510 0.071 0.000 1.117 352 N CA 0.286 53.398 53.050 0.104 0.000 0.845 352 N CB -0.059 38.484 38.487 0.093 0.000 0.980 352 N HN 0.125 nan 8.380 nan 0.000 0.486 353 C N -0.659 118.673 119.300 0.053 0.000 3.070 353 C HA 0.341 4.801 4.460 0.000 0.000 0.280 353 C C 0.709 175.719 174.990 0.032 0.000 1.264 353 C CA -0.639 58.398 59.018 0.031 0.000 1.690 353 C CB -0.778 26.968 27.740 0.010 0.000 2.049 353 C HN 0.255 nan 8.230 nan 0.000 0.636 354 V N 3.796 123.748 119.914 0.064 0.000 2.508 354 V HA 0.385 4.505 4.120 0.000 0.000 0.281 354 V C -2.561 173.557 176.094 0.040 0.000 1.041 354 V CA -1.165 61.191 62.300 0.094 0.000 1.016 354 V CB 0.898 32.791 31.823 0.117 0.000 0.984 354 V HN 0.169 nan 8.190 nan 0.000 0.478 355 P HA 0.428 nan 4.420 nan 0.000 0.279 355 P C -1.000 176.183 177.300 -0.195 0.000 1.252 355 P CA -0.257 62.752 63.100 -0.152 0.000 0.811 355 P CB 1.077 32.639 31.700 -0.229 0.000 1.035 356 S N 0.240 115.587 115.700 -0.589 0.000 2.500 356 S HA 0.619 5.089 4.470 0.000 0.000 0.301 356 S C -0.918 173.230 174.600 -0.754 0.000 1.092 356 S CA -0.508 57.228 58.200 -0.773 0.000 1.030 356 S CB 0.864 63.034 63.200 -1.716 0.000 1.031 356 S HN 0.142 nan 8.310 nan 0.000 0.483 357 V N 4.412 124.058 119.914 -0.448 0.000 2.709 357 V HA 0.550 4.670 4.120 0.000 0.000 0.308 357 V C -0.855 175.094 176.094 -0.242 0.000 1.062 357 V CA -0.626 61.413 62.300 -0.436 0.000 0.901 357 V CB 1.832 33.276 31.823 -0.632 0.000 1.003 357 V HN 0.797 nan 8.190 nan 0.000 0.425 358 I N 4.146 124.577 120.570 -0.231 0.000 2.362 358 I HA 0.350 4.520 4.170 0.000 0.000 0.289 358 I C -0.563 175.498 176.117 -0.094 0.000 0.994 358 I CA -0.463 60.821 61.300 -0.027 0.000 1.158 358 I CB 1.464 39.461 38.000 -0.005 0.000 1.315 358 I HN 0.612 nan 8.210 nan 0.000 0.451 359 Y N 3.909 124.205 120.300 -0.006 0.000 2.596 359 Y HA 0.062 4.612 4.550 0.000 0.000 0.316 359 Y C 1.738 177.638 175.900 -0.000 0.000 1.156 359 Y CA -0.721 57.362 58.100 -0.029 0.000 1.300 359 Y CB -0.964 37.475 38.460 -0.035 0.000 1.130 359 Y HN 0.565 nan 8.280 nan 0.000 0.518 360 T N -2.500 112.157 114.554 0.172 0.000 2.732 360 T HA 0.022 4.372 4.350 0.000 0.000 0.365 360 T C -0.348 174.409 174.700 0.096 0.000 1.077 360 T CA -0.174 62.035 62.100 0.182 0.000 1.044 360 T CB 0.497 69.557 68.868 0.320 0.000 1.220 360 T HN 0.455 nan 8.240 nan 0.000 0.517 361 H N 0.875 119.946 119.070 0.002 0.000 3.239 361 H HA 0.408 4.964 4.556 0.000 0.000 0.320 361 H C -2.824 172.512 175.328 0.014 0.000 1.074 361 H CA -1.663 54.328 56.048 -0.097 0.000 1.553 361 H CB 1.125 30.687 29.762 -0.332 0.000 1.752 361 H HN 0.464 nan 8.280 nan 0.000 0.513 362 P HA 0.061 nan 4.420 nan 0.000 0.275 362 P C -0.360 176.799 177.300 -0.235 0.000 1.227 362 P CA -0.189 62.724 63.100 -0.312 0.000 0.781 362 P CB 1.342 32.953 31.700 -0.147 0.000 0.906 363 E N 0.537 120.514 120.200 -0.372 0.000 2.422 363 E HA 0.239 4.589 4.350 0.000 0.000 0.260 363 E C -0.403 175.999 176.600 -0.331 0.000 1.108 363 E CA -0.371 55.843 56.400 -0.309 0.000 0.943 363 E CB 0.475 29.974 29.700 -0.335 0.000 0.961 363 E HN 0.199 nan 8.360 nan 0.000 0.443 364 V N 1.025 120.723 119.914 -0.360 0.000 2.531 364 V HA 0.657 4.777 4.120 0.000 0.000 0.301 364 V C -0.412 175.591 176.094 -0.153 0.000 1.034 364 V CA -0.688 61.442 62.300 -0.283 0.000 0.865 364 V CB 1.431 32.993 31.823 -0.435 0.000 0.995 364 V HN 0.774 nan 8.190 nan 0.000 0.424 365 A N 4.360 127.148 122.820 -0.053 0.000 2.498 365 A HA 1.062 5.382 4.320 0.000 0.000 0.298 365 A C -1.583 176.055 177.584 0.091 0.000 1.075 365 A CA -0.644 51.325 52.037 -0.113 0.000 0.714 365 A CB 1.925 20.776 19.000 -0.247 0.000 1.299 365 A HN 1.620 nan 8.150 nan 0.000 0.407 366 W N -0.248 120.929 121.300 -0.206 0.000 3.275 366 W HA 0.672 5.332 4.660 0.000 0.000 0.306 366 W C -2.197 174.185 176.519 -0.227 0.000 1.259 366 W CA -0.949 56.221 57.345 -0.292 0.000 1.194 366 W CB 0.778 30.026 29.460 -0.353 0.000 1.375 366 W HN 1.062 nan 8.180 nan 0.000 0.564 367 V N 2.839 122.687 119.914 -0.111 0.000 3.120 367 V HA 0.888 5.008 4.120 0.000 0.000 0.303 367 V C 0.175 176.272 176.094 0.005 0.000 1.238 367 V CA 0.345 62.598 62.300 -0.079 0.000 1.008 367 V CB 1.420 33.187 31.823 -0.093 0.000 1.064 367 V HN 2.329 nan 8.190 nan 0.000 0.434 368 G N 4.213 113.051 108.800 0.063 0.000 2.582 368 G HA2 -0.042 3.918 3.960 0.000 0.000 0.222 368 G HA3 -0.042 3.918 3.960 0.000 0.000 0.222 368 G C -1.072 173.913 174.900 0.142 0.000 1.311 368 G CA -0.270 44.884 45.100 0.089 0.000 0.915 368 G HN 0.861 nan 8.290 nan 0.000 0.528 369 K N 0.439 120.917 120.400 0.131 0.000 2.144 369 K HA 0.605 4.925 4.320 0.000 0.000 0.270 369 K C 0.980 177.680 176.600 0.168 0.000 1.005 369 K CA 0.229 56.587 56.287 0.119 0.000 0.932 369 K CB 1.449 33.985 32.500 0.060 0.000 1.021 369 K HN 1.069 nan 8.250 nan 0.000 0.462 370 S N -0.162 115.593 115.700 0.091 0.000 2.669 370 S HA 0.085 4.555 4.470 0.000 0.000 0.270 370 S C 1.254 175.729 174.600 -0.209 0.000 1.225 370 S CA -0.378 57.787 58.200 -0.058 0.000 0.991 370 S CB 1.404 64.522 63.200 -0.137 0.000 0.987 370 S HN 0.661 nan 8.310 nan 0.000 0.552 371 E N 0.675 120.661 120.200 -0.356 0.000 2.085 371 E HA -0.205 4.145 4.350 0.000 0.000 0.194 371 E C 1.754 178.234 176.600 -0.199 0.000 0.994 371 E CA 1.807 57.979 56.400 -0.380 0.000 0.801 371 E CB -0.121 29.383 29.700 -0.328 0.000 0.743 371 E HN 0.759 nan 8.360 nan 0.000 0.453 372 E N 0.476 120.582 120.200 -0.158 0.000 2.077 372 E HA -0.244 4.106 4.350 0.000 0.000 0.193 372 E C 2.114 178.684 176.600 -0.051 0.000 0.989 372 E CA 1.194 57.541 56.400 -0.088 0.000 0.800 372 E CB -0.484 29.152 29.700 -0.106 0.000 0.746 372 E HN 0.490 nan 8.360 nan 0.000 0.452 373 Q N 0.173 119.939 119.800 -0.057 0.000 2.170 373 Q HA -0.108 4.232 4.340 0.000 0.000 0.203 373 Q C 2.116 178.116 176.000 0.001 0.000 0.976 373 Q CA 0.674 56.468 55.803 -0.017 0.000 0.858 373 Q CB -0.082 28.655 28.738 -0.001 0.000 0.907 373 Q HN 0.100 nan 8.270 nan 0.000 0.433 374 L N 1.117 122.325 121.223 -0.025 0.000 1.937 374 L HA -0.204 4.136 4.340 0.000 0.000 0.213 374 L C 1.999 178.932 176.870 0.106 0.000 1.077 374 L CA 1.871 56.727 54.840 0.027 0.000 0.758 374 L CB -0.834 41.161 42.059 -0.107 0.000 0.888 374 L HN 0.067 nan 8.230 nan 0.000 0.433 375 K N -0.694 119.794 120.400 0.147 0.000 2.097 375 K HA -0.306 4.014 4.320 0.000 0.000 0.214 375 K C 1.999 178.637 176.600 0.063 0.000 1.052 375 K CA 2.064 58.426 56.287 0.124 0.000 0.932 375 K CB -0.222 32.338 32.500 0.100 0.000 0.716 375 K HN 0.234 nan 8.250 nan 0.000 0.455 376 E N 0.866 121.090 120.200 0.039 0.000 2.021 376 E HA -0.202 4.148 4.350 0.000 0.000 0.200 376 E C 1.518 178.138 176.600 0.033 0.000 1.015 376 E CA 1.931 58.347 56.400 0.027 0.000 0.824 376 E CB -0.007 29.703 29.700 0.017 0.000 0.762 376 E HN 0.410 nan 8.360 nan 0.000 0.454 377 E N -0.254 119.970 120.200 0.040 0.000 2.485 377 E HA 0.051 4.401 4.350 0.000 0.000 0.194 377 E C 0.282 176.911 176.600 0.048 0.000 1.098 377 E CA 0.466 56.890 56.400 0.041 0.000 0.878 377 E CB -0.240 29.485 29.700 0.042 0.000 0.939 377 E HN 0.251 nan 8.360 nan 0.000 0.503 378 G N 1.891 110.724 108.800 0.054 0.000 2.342 378 G HA2 -0.248 3.712 3.960 0.000 0.000 0.267 378 G HA3 -0.248 3.712 3.960 0.000 0.000 0.267 378 G C -0.282 174.656 174.900 0.064 0.000 0.922 378 G CA 0.195 45.326 45.100 0.051 0.000 1.342 378 G HN 0.395 nan 8.290 nan 0.000 0.430 379 I N 1.049 121.684 120.570 0.108 0.000 2.447 379 I HA 0.210 4.380 4.170 0.000 0.000 0.287 379 I C 0.265 176.462 176.117 0.134 0.000 1.023 379 I CA -0.946 60.427 61.300 0.121 0.000 1.083 379 I CB 1.653 39.734 38.000 0.135 0.000 1.245 379 I HN 0.176 nan 8.210 nan 0.000 0.434 380 E N 6.795 127.024 120.200 0.049 0.000 2.491 380 E HA 0.025 4.375 4.350 0.000 0.000 0.250 380 E C -1.221 175.403 176.600 0.039 0.000 1.061 380 E CA 0.551 56.934 56.400 -0.028 0.000 0.942 380 E CB 0.196 29.886 29.700 -0.017 0.000 0.957 380 E HN 0.411 nan 8.360 nan 0.000 0.480 381 Y N 0.805 121.110 120.300 0.007 0.000 2.665 381 Y HA 0.636 5.186 4.550 0.000 0.000 0.336 381 Y C -0.394 175.509 175.900 0.005 0.000 1.085 381 Y CA -1.466 56.640 58.100 0.010 0.000 1.096 381 Y CB 1.261 39.729 38.460 0.014 0.000 1.301 381 Y HN 0.194 nan 8.280 nan 0.000 0.493 382 K N 1.105 121.672 120.400 0.279 0.000 2.482 382 K HA 0.782 5.102 4.320 0.000 0.000 0.257 382 K C -2.144 174.604 176.600 0.246 0.000 0.969 382 K CA -0.922 55.462 56.287 0.162 0.000 0.842 382 K CB 2.553 35.098 32.500 0.075 0.000 1.359 382 K HN 1.005 nan 8.250 nan 0.000 0.441 383 V N -0.064 119.951 119.914 0.168 0.000 2.709 383 V HA 0.790 4.910 4.120 0.000 0.000 0.308 383 V C -0.855 175.285 176.094 0.076 0.000 1.062 383 V CA -0.039 62.337 62.300 0.127 0.000 0.901 383 V CB 1.675 33.576 31.823 0.130 0.000 1.003 383 V HN 1.003 nan 8.190 nan 0.000 0.425 384 G N 4.072 112.907 108.800 0.059 0.000 2.432 384 G HA2 0.749 4.709 3.960 0.000 0.000 0.331 384 G HA3 0.749 4.709 3.960 0.000 0.000 0.331 384 G C -1.314 173.621 174.900 0.057 0.000 1.170 384 G CA -0.840 44.292 45.100 0.054 0.000 0.943 384 G HN 0.834 nan 8.290 nan 0.000 0.483 385 K N 0.147 120.596 120.400 0.080 0.000 2.535 385 K HA 0.462 4.782 4.320 0.000 0.000 0.251 385 K C -2.067 174.589 176.600 0.094 0.000 0.942 385 K CA -0.555 55.770 56.287 0.064 0.000 0.798 385 K CB 2.523 35.047 32.500 0.041 0.000 1.267 385 K HN 0.385 nan 8.250 nan 0.000 0.434 386 F N 4.957 124.803 119.950 -0.173 0.000 2.539 386 F HA 0.517 5.044 4.527 0.000 0.000 0.318 386 F C -2.558 172.984 175.800 -0.431 0.000 1.135 386 F CA -1.983 55.840 58.000 -0.294 0.000 0.915 386 F CB 1.785 40.632 39.000 -0.255 0.000 1.176 386 F HN 0.310 nan 8.300 nan 0.000 0.440 387 P HA 0.245 nan 4.420 nan 0.000 0.287 387 P C 0.193 177.162 177.300 -0.551 0.000 1.270 387 P CA -0.214 62.501 63.100 -0.643 0.000 0.844 387 P CB 1.214 32.477 31.700 -0.728 0.000 1.068 388 F N 1.346 121.203 119.950 -0.154 0.000 2.293 388 F HA -0.058 4.469 4.527 0.000 0.000 0.300 388 F C 2.553 178.312 175.800 -0.067 0.000 1.086 388 F CA 1.605 59.583 58.000 -0.036 0.000 1.375 388 F CB -1.136 37.861 39.000 -0.005 0.000 1.045 388 F HN 0.348 nan 8.300 nan 0.000 0.516 389 A N -0.111 122.720 122.820 0.019 0.000 2.032 389 A HA -0.119 4.201 4.320 0.000 0.000 0.221 389 A C 2.293 179.856 177.584 -0.034 0.000 1.165 389 A CA 1.729 53.763 52.037 -0.006 0.000 0.645 389 A CB -1.061 17.915 19.000 -0.040 0.000 0.807 389 A HN 0.273 nan 8.150 nan 0.000 0.453 390 A N -0.686 122.022 122.820 -0.186 0.000 2.251 390 A HA 0.092 4.412 4.320 0.000 0.000 0.209 390 A C 1.000 178.675 177.584 0.152 0.000 1.187 390 A CA -0.012 51.968 52.037 -0.095 0.000 0.823 390 A CB -0.387 18.406 19.000 -0.346 0.000 0.846 390 A HN 0.547 nan 8.150 nan 0.000 0.486 391 N N 0.358 119.192 118.700 0.223 0.000 2.497 391 N HA 0.088 4.828 4.740 0.000 0.000 0.271 391 N C 0.606 176.233 175.510 0.195 0.000 1.142 391 N CA 0.272 53.506 53.050 0.308 0.000 0.965 391 N CB 1.027 39.732 38.487 0.363 0.000 1.077 391 N HN 0.132 nan 8.380 nan 0.000 0.462 392 S N 3.508 119.296 115.700 0.146 0.000 2.356 392 S HA -0.192 4.278 4.470 0.000 0.000 0.223 392 S C 1.740 176.364 174.600 0.041 0.000 1.032 392 S CA 1.233 59.480 58.200 0.079 0.000 1.005 392 S CB -0.143 63.069 63.200 0.020 0.000 0.867 392 S HN 0.756 nan 8.310 nan 0.000 0.449 393 R N 1.831 122.340 120.500 0.015 0.000 2.115 393 R HA 0.104 4.444 4.340 0.000 0.000 0.230 393 R C 1.841 178.181 176.300 0.067 0.000 1.111 393 R CA 1.479 57.589 56.100 0.016 0.000 0.976 393 R CB -0.524 29.772 30.300 -0.006 0.000 0.870 393 R HN 0.292 nan 8.270 nan 0.000 0.445 394 A N -0.098 122.793 122.820 0.118 0.000 2.178 394 A HA 0.075 4.395 4.320 0.000 0.000 0.211 394 A C 1.873 179.521 177.584 0.107 0.000 1.157 394 A CA 0.845 52.952 52.037 0.117 0.000 0.780 394 A CB -0.174 18.934 19.000 0.181 0.000 0.828 394 A HN 0.309 nan 8.150 nan 0.000 0.476 395 K N -0.454 120.008 120.400 0.104 0.000 2.137 395 K HA 0.010 4.330 4.320 0.000 0.000 0.202 395 K C 1.870 178.513 176.600 0.071 0.000 1.052 395 K CA 1.850 58.190 56.287 0.088 0.000 0.961 395 K CB -0.605 31.947 32.500 0.087 0.000 0.741 395 K HN 0.261 nan 8.250 nan 0.000 0.452 396 T N 1.043 115.636 114.554 0.064 0.000 2.607 396 T HA -0.154 4.196 4.350 0.000 0.000 0.267 396 T C 1.263 175.994 174.700 0.052 0.000 1.049 396 T CA 2.076 64.207 62.100 0.051 0.000 1.162 396 T CB -0.454 68.437 68.868 0.039 0.000 0.863 396 T HN 0.425 nan 8.240 nan 0.000 0.424 397 N N 0.887 119.622 118.700 0.059 0.000 2.521 397 N HA 0.297 5.037 4.740 0.000 0.000 0.188 397 N C 0.575 176.132 175.510 0.078 0.000 1.146 397 N CA 0.185 53.275 53.050 0.066 0.000 0.893 397 N CB -0.050 38.482 38.487 0.075 0.000 0.975 397 N HN 0.407 nan 8.380 nan 0.000 0.451 398 A N 1.754 124.619 122.820 0.075 0.000 2.578 398 A HA -0.192 4.128 4.320 0.000 0.000 0.298 398 A C -0.404 177.241 177.584 0.101 0.000 1.472 398 A CA 0.789 52.875 52.037 0.081 0.000 0.734 398 A CB -1.615 17.429 19.000 0.074 0.000 1.091 398 A HN 0.442 nan 8.150 nan 0.000 0.426 399 D N -0.150 120.309 120.400 0.098 0.000 2.364 399 D HA 0.439 5.079 4.640 0.000 0.000 0.251 399 D C 1.161 177.497 176.300 0.060 0.000 1.282 399 D CA 0.517 54.578 54.000 0.102 0.000 0.927 399 D CB 0.453 41.335 40.800 0.136 0.000 1.267 399 D HN 0.594 nan 8.370 nan 0.000 0.531 400 T N -1.156 113.443 114.554 0.076 0.000 3.067 400 T HA 0.055 4.405 4.350 0.000 0.000 0.257 400 T C 0.543 175.298 174.700 0.091 0.000 1.105 400 T CA -0.100 62.054 62.100 0.090 0.000 1.104 400 T CB -0.022 68.894 68.868 0.079 0.000 0.925 400 T HN 0.155 nan 8.240 nan 0.000 0.498 401 D N 2.230 122.663 120.400 0.056 0.000 2.506 401 D HA 0.401 5.041 4.640 0.000 0.000 0.234 401 D C 1.175 177.526 176.300 0.085 0.000 1.143 401 D CA 1.712 55.747 54.000 0.058 0.000 0.871 401 D CB 0.545 41.373 40.800 0.046 0.000 1.190 401 D HN 0.641 nan 8.370 nan 0.000 0.459 402 G N 0.520 109.388 108.800 0.113 0.000 2.615 402 G HA2 0.067 4.027 3.960 0.000 0.000 0.218 402 G HA3 0.067 4.027 3.960 0.000 0.000 0.218 402 G C -0.466 174.593 174.900 0.265 0.000 1.339 402 G CA 0.130 45.327 45.100 0.161 0.000 0.884 402 G HN 0.809 nan 8.290 nan 0.000 0.559 403 M N -3.675 116.111 119.600 0.310 0.000 3.118 403 M HA 0.706 5.186 4.480 0.000 0.000 0.276 403 M C -1.137 175.213 176.300 0.083 0.000 1.099 403 M CA -1.096 54.261 55.300 0.095 0.000 0.802 403 M CB 1.296 33.869 32.600 -0.045 0.000 1.618 403 M HN 1.203 nan 8.290 nan 0.000 0.535 404 V N 1.284 121.168 119.914 -0.050 0.000 2.628 404 V HA 0.774 4.894 4.120 0.000 0.000 0.306 404 V C -0.889 175.244 176.094 0.065 0.000 1.045 404 V CA -0.445 61.886 62.300 0.053 0.000 0.905 404 V CB 1.875 33.713 31.823 0.026 0.000 0.997 404 V HN 0.823 nan 8.190 nan 0.000 0.436 405 K N 5.614 126.087 120.400 0.121 0.000 2.545 405 K HA 0.680 5.000 4.320 0.000 0.000 0.252 405 K C -1.297 175.395 176.600 0.154 0.000 0.948 405 K CA -0.561 55.784 56.287 0.097 0.000 0.827 405 K CB 1.682 34.210 32.500 0.047 0.000 1.128 405 K HN 0.759 nan 8.250 nan 0.000 0.429 406 I N 1.486 122.118 120.570 0.102 0.000 2.530 406 I HA 0.487 4.657 4.170 0.000 0.000 0.297 406 I C -1.100 175.065 176.117 0.080 0.000 1.011 406 I CA -1.203 60.167 61.300 0.117 0.000 1.107 406 I CB 1.680 39.706 38.000 0.043 0.000 1.285 406 I HN 0.433 nan 8.210 nan 0.000 0.436 407 L N 5.484 126.758 121.223 0.085 0.000 2.318 407 L HA 0.689 5.029 4.340 0.000 0.000 0.277 407 L C 0.310 177.214 176.870 0.058 0.000 1.008 407 L CA -0.355 54.502 54.840 0.029 0.000 0.846 407 L CB 1.462 43.477 42.059 -0.074 0.000 1.220 407 L HN 0.919 nan 8.230 nan 0.000 0.423 408 G N 1.456 110.311 108.800 0.092 0.000 2.432 408 G HA2 0.431 4.391 3.960 0.000 0.000 0.331 408 G HA3 0.431 4.391 3.960 0.000 0.000 0.331 408 G C -0.817 174.162 174.900 0.132 0.000 1.170 408 G CA -0.460 44.696 45.100 0.095 0.000 0.943 408 G HN 0.495 nan 8.290 nan 0.000 0.483 409 Q N 0.506 120.370 119.800 0.107 0.000 2.274 409 Q HA 0.062 4.402 4.340 0.000 0.000 0.280 409 Q C 1.427 177.477 176.000 0.083 0.000 1.047 409 Q CA 0.336 56.202 55.803 0.105 0.000 0.907 409 Q CB 1.153 29.938 28.738 0.079 0.000 1.171 409 Q HN 0.611 nan 8.270 nan 0.000 0.381 410 K N 2.298 122.743 120.400 0.075 0.000 2.283 410 K HA -0.081 4.239 4.320 0.000 0.000 0.202 410 K C 0.648 177.266 176.600 0.030 0.000 1.048 410 K CA 1.689 58.001 56.287 0.042 0.000 0.948 410 K CB 0.234 32.737 32.500 0.005 0.000 0.742 410 K HN 0.690 nan 8.250 nan 0.000 0.458 411 S N -0.613 115.106 115.700 0.032 0.000 2.440 411 S HA -0.083 4.387 4.470 0.000 0.000 0.194 411 S C 1.939 176.558 174.600 0.031 0.000 0.952 411 S CA 0.822 59.038 58.200 0.026 0.000 0.898 411 S CB -0.607 62.607 63.200 0.023 0.000 0.875 411 S HN 0.572 nan 8.310 nan 0.000 0.581 412 T N -0.173 114.402 114.554 0.034 0.000 2.897 412 T HA -0.109 4.241 4.350 0.000 0.000 0.271 412 T C 0.610 175.332 174.700 0.037 0.000 1.084 412 T CA 1.778 63.898 62.100 0.034 0.000 1.123 412 T CB -0.659 68.230 68.868 0.036 0.000 0.865 412 T HN 0.357 nan 8.240 nan 0.000 0.496 413 D N -0.256 120.170 120.400 0.043 0.000 3.051 413 D HA -0.156 4.484 4.640 0.000 0.000 0.218 413 D C -0.045 176.282 176.300 0.046 0.000 1.129 413 D CA 0.500 54.527 54.000 0.044 0.000 0.868 413 D CB -1.460 39.362 40.800 0.036 0.000 1.100 413 D HN 0.683 nan 8.370 nan 0.000 0.429 414 R N 0.009 120.542 120.500 0.053 0.000 2.357 414 R HA 0.529 4.869 4.340 0.000 0.000 0.296 414 R C 0.183 176.522 176.300 0.064 0.000 1.052 414 R CA -0.354 55.780 56.100 0.058 0.000 0.988 414 R CB 1.076 31.412 30.300 0.060 0.000 1.025 414 R HN 0.101 nan 8.270 nan 0.000 0.469 415 V N 4.583 124.536 119.914 0.066 0.000 2.555 415 V HA 0.204 4.324 4.120 0.000 0.000 0.286 415 V C 0.438 176.581 176.094 0.081 0.000 1.044 415 V CA -0.029 62.315 62.300 0.073 0.000 1.026 415 V CB 0.864 32.735 31.823 0.080 0.000 0.981 415 V HN 0.857 nan 8.190 nan 0.000 0.480 416 L N 4.340 125.610 121.223 0.078 0.000 2.575 416 L HA 0.676 5.016 4.340 0.000 0.000 0.228 416 L C 1.172 178.094 176.870 0.086 0.000 1.075 416 L CA 0.815 55.700 54.840 0.075 0.000 0.867 416 L CB -0.002 42.093 42.059 0.060 0.000 1.097 416 L HN 0.937 nan 8.230 nan 0.000 0.485 417 G N -0.264 108.599 108.800 0.105 0.000 2.720 417 G HA2 0.728 4.688 3.960 0.000 0.000 0.295 417 G HA3 0.728 4.688 3.960 0.000 0.000 0.295 417 G C -2.022 172.965 174.900 0.144 0.000 1.437 417 G CA -0.054 45.127 45.100 0.135 0.000 0.886 417 G HN 0.006 nan 8.290 nan 0.000 0.509 418 A N 1.283 124.095 122.820 -0.014 0.000 2.393 418 A HA 0.863 5.183 4.320 0.000 0.000 0.306 418 A C -1.083 176.290 177.584 -0.352 0.000 1.050 418 A CA -0.722 51.342 52.037 0.045 0.000 0.724 418 A CB 1.295 20.399 19.000 0.173 0.000 1.248 418 A HN 0.750 nan 8.150 nan 0.000 0.424 419 H N 1.912 121.068 119.070 0.143 0.000 2.744 419 H HA 0.487 5.043 4.556 0.000 0.000 0.339 419 H C -1.494 173.901 175.328 0.112 0.000 1.004 419 H CA -0.255 55.868 56.048 0.126 0.000 1.257 419 H CB 1.661 31.433 29.762 0.017 0.000 1.552 419 H HN 0.505 nan 8.280 nan 0.000 0.522 420 I N 3.828 124.487 120.570 0.147 0.000 2.406 420 I HA 0.140 4.310 4.170 0.000 0.000 0.290 420 I C -0.720 175.458 176.117 0.101 0.000 0.999 420 I CA -0.609 60.779 61.300 0.147 0.000 1.124 420 I CB 2.105 40.159 38.000 0.090 0.000 1.289 420 I HN 0.282 nan 8.210 nan 0.000 0.441 421 L N 6.957 128.269 121.223 0.147 0.000 2.372 421 L HA 0.987 5.327 4.340 0.000 0.000 0.273 421 L C -0.112 176.782 176.870 0.041 0.000 0.989 421 L CA 0.403 55.263 54.840 0.033 0.000 0.841 421 L CB 0.848 42.919 42.059 0.020 0.000 1.225 421 L HN 0.794 nan 8.230 nan 0.000 0.414 422 G N 4.179 112.868 108.800 -0.186 0.000 2.325 422 G HA2 0.089 4.049 3.960 0.000 0.000 0.285 422 G HA3 0.089 4.049 3.960 0.000 0.000 0.285 422 G C -3.318 171.208 174.900 -0.623 0.000 1.303 422 G CA -0.571 44.266 45.100 -0.438 0.000 0.970 422 G HN 0.493 nan 8.290 nan 0.000 0.490 423 P HA 0.316 nan 4.420 nan 0.000 0.267 423 P C 1.161 178.221 177.300 -0.400 0.000 1.200 423 P CA 1.922 64.679 63.100 -0.571 0.000 0.772 423 P CB 0.594 32.031 31.700 -0.438 0.000 0.855 424 G N 2.227 110.882 108.800 -0.242 0.000 2.180 424 G HA2 -0.365 3.595 3.960 0.000 0.000 0.263 424 G HA3 -0.365 3.595 3.960 0.000 0.000 0.263 424 G C 1.194 175.998 174.900 -0.160 0.000 0.989 424 G CA 0.669 45.680 45.100 -0.148 0.000 0.692 424 G HN 0.732 nan 8.290 nan 0.000 0.526 425 A N -0.058 122.632 122.820 -0.217 0.000 1.948 425 A HA 0.191 4.511 4.320 0.000 0.000 0.220 425 A C 2.781 180.231 177.584 -0.224 0.000 1.177 425 A CA 2.284 54.211 52.037 -0.183 0.000 0.636 425 A CB -0.924 17.959 19.000 -0.196 0.000 0.815 425 A HN 1.580 nan 8.150 nan 0.000 0.449 426 G N -1.096 107.531 108.800 -0.288 0.000 2.422 426 G HA2 -0.125 3.835 3.960 0.000 0.000 0.218 426 G HA3 -0.125 3.835 3.960 0.000 0.000 0.218 426 G C 1.396 176.163 174.900 -0.221 0.000 1.140 426 G CA 1.094 45.988 45.100 -0.344 0.000 0.775 426 G HN 0.469 nan 8.290 nan 0.000 0.545 427 E N -0.439 119.668 120.200 -0.155 0.000 2.208 427 E HA 0.115 4.465 4.350 0.000 0.000 0.193 427 E C 2.308 178.827 176.600 -0.136 0.000 0.988 427 E CA 0.436 56.768 56.400 -0.113 0.000 0.828 427 E CB -0.129 29.532 29.700 -0.065 0.000 0.763 427 E HN 0.469 nan 8.360 nan 0.000 0.478 428 M N -1.120 118.379 119.600 -0.168 0.000 2.394 428 M HA 0.001 4.481 4.480 0.000 0.000 0.266 428 M C 1.855 177.951 176.300 -0.340 0.000 1.098 428 M CA 0.374 55.541 55.300 -0.222 0.000 1.149 428 M CB 0.303 32.791 32.600 -0.186 0.000 1.369 428 M HN -0.008 nan 8.290 nan 0.000 0.450 429 V N 1.010 120.754 119.914 -0.285 0.000 2.867 429 V HA -0.254 3.866 4.120 0.000 0.000 0.260 429 V C 1.166 177.113 176.094 -0.244 0.000 1.099 429 V CA 1.971 64.097 62.300 -0.289 0.000 1.122 429 V CB -0.818 30.850 31.823 -0.258 0.000 0.708 429 V HN 0.582 nan 8.190 nan 0.000 0.490 430 N N -0.347 118.230 118.700 -0.206 0.000 2.409 430 N HA -0.135 4.605 4.740 0.000 0.000 0.179 430 N C 1.745 177.186 175.510 -0.114 0.000 1.032 430 N CA 1.025 53.988 53.050 -0.145 0.000 0.898 430 N CB 0.047 38.464 38.487 -0.117 0.000 0.971 430 N HN 0.716 nan 8.380 nan 0.000 0.441 431 E N 1.340 121.441 120.200 -0.165 0.000 2.060 431 E HA -0.024 4.326 4.350 0.000 0.000 0.189 431 E C 2.037 178.585 176.600 -0.087 0.000 0.974 431 E CA 0.768 57.104 56.400 -0.106 0.000 0.808 431 E CB -0.081 29.550 29.700 -0.116 0.000 0.768 431 E HN 0.243 nan 8.360 nan 0.000 0.453 432 A N 1.663 124.307 122.820 -0.292 0.000 1.927 432 A HA -0.247 4.073 4.320 0.000 0.000 0.220 432 A C 2.462 180.058 177.584 0.020 0.000 1.185 432 A CA 2.326 54.328 52.037 -0.058 0.000 0.639 432 A CB -1.152 17.755 19.000 -0.155 0.000 0.820 432 A HN 0.487 nan 8.150 nan 0.000 0.451 433 A N -0.449 122.347 122.820 -0.040 0.000 1.841 433 A HA -0.125 4.195 4.320 0.000 0.000 0.216 433 A C 2.168 179.781 177.584 0.048 0.000 1.199 433 A CA 1.852 53.885 52.037 -0.007 0.000 0.621 433 A CB -0.895 18.081 19.000 -0.039 0.000 0.835 433 A HN 0.912 nan 8.150 nan 0.000 0.445 434 L N -0.503 120.755 121.223 0.058 0.000 2.129 434 L HA -0.168 4.172 4.340 0.000 0.000 0.212 434 L C 2.581 179.585 176.870 0.223 0.000 1.087 434 L CA 2.238 57.159 54.840 0.136 0.000 0.757 434 L CB -0.386 41.749 42.059 0.127 0.000 0.896 434 L HN 0.383 nan 8.230 nan 0.000 0.434 435 A N -1.195 121.734 122.820 0.182 0.000 1.930 435 A HA -0.037 4.283 4.320 0.000 0.000 0.215 435 A C 2.067 179.767 177.584 0.192 0.000 1.176 435 A CA 1.145 53.307 52.037 0.209 0.000 0.632 435 A CB -0.550 18.590 19.000 0.233 0.000 0.819 435 A HN 0.372 nan 8.150 nan 0.000 0.445 436 L N 0.112 121.423 121.223 0.145 0.000 2.201 436 L HA -0.073 4.267 4.340 0.000 0.000 0.212 436 L C 1.903 178.832 176.870 0.098 0.000 1.105 436 L CA 1.332 56.239 54.840 0.113 0.000 0.775 436 L CB -1.141 40.968 42.059 0.083 0.000 0.913 436 L HN 0.455 nan 8.230 nan 0.000 0.440 437 E N -1.380 118.873 120.200 0.088 0.000 2.511 437 E HA -0.132 4.218 4.350 0.000 0.000 0.196 437 E C 0.750 177.308 176.600 -0.069 0.000 1.066 437 E CA 0.552 56.952 56.400 0.001 0.000 0.871 437 E CB 0.179 29.852 29.700 -0.045 0.000 0.863 437 E HN 0.475 nan 8.360 nan 0.000 0.520 438 Y N -0.291 120.033 120.300 0.041 0.000 2.588 438 Y HA 0.241 4.791 4.550 0.000 0.000 0.247 438 Y C 1.135 177.056 175.900 0.036 0.000 1.157 438 Y CA 0.103 58.224 58.100 0.034 0.000 1.215 438 Y CB 1.126 39.605 38.460 0.032 0.000 1.245 438 Y HN 0.037 nan 8.280 nan 0.000 0.534 439 G N 1.670 110.569 108.800 0.165 0.000 2.393 439 G HA2 -0.183 3.777 3.960 0.000 0.000 0.299 439 G HA3 -0.183 3.777 3.960 0.000 0.000 0.299 439 G C 0.405 175.378 174.900 0.122 0.000 0.990 439 G CA 0.219 45.391 45.100 0.120 0.000 1.118 439 G HN 0.635 nan 8.290 nan 0.000 0.513 440 A N 0.098 122.999 122.820 0.136 0.000 2.445 440 A HA 0.703 5.023 4.320 0.000 0.000 0.242 440 A C 1.090 178.715 177.584 0.070 0.000 1.075 440 A CA 0.756 52.850 52.037 0.095 0.000 0.777 440 A CB 0.414 19.472 19.000 0.096 0.000 1.013 440 A HN 2.108 nan 8.150 nan 0.000 0.493 441 S N 0.413 116.140 115.700 0.045 0.000 2.646 441 S HA 0.253 4.723 4.470 0.000 0.000 0.276 441 S C 1.114 175.721 174.600 0.011 0.000 1.222 441 S CA -0.183 58.037 58.200 0.032 0.000 1.014 441 S CB 0.719 63.934 63.200 0.026 0.000 0.991 441 S HN 0.739 nan 8.310 nan 0.000 0.533 442 C N 1.256 120.558 119.300 0.003 0.000 2.391 442 C HA -0.122 4.338 4.460 0.000 0.000 0.276 442 C C 2.698 177.667 174.990 -0.034 0.000 1.217 442 C CA 1.467 60.465 59.018 -0.033 0.000 1.766 442 C CB -1.635 26.092 27.740 -0.021 0.000 2.046 442 C HN 1.094 nan 8.230 nan 0.000 0.475 443 E N 0.867 121.061 120.200 -0.010 0.000 2.107 443 E HA -0.194 4.156 4.350 0.000 0.000 0.191 443 E C 1.479 178.068 176.600 -0.018 0.000 0.982 443 E CA 1.215 57.608 56.400 -0.012 0.000 0.809 443 E CB -0.258 29.441 29.700 -0.002 0.000 0.756 443 E HN 0.535 nan 8.360 nan 0.000 0.459 444 D N 1.016 121.408 120.400 -0.013 0.000 2.126 444 D HA -0.225 4.415 4.640 0.000 0.000 0.190 444 D C 2.101 178.389 176.300 -0.020 0.000 1.001 444 D CA 1.642 55.631 54.000 -0.018 0.000 0.841 444 D CB -0.272 40.522 40.800 -0.010 0.000 0.949 444 D HN 0.357 nan 8.370 nan 0.000 0.446 445 I N 1.179 121.740 120.570 -0.015 0.000 2.202 445 I HA -0.227 3.943 4.170 0.000 0.000 0.242 445 I C 2.608 178.732 176.117 0.011 0.000 1.091 445 I CA 0.922 62.224 61.300 0.004 0.000 1.368 445 I CB -0.274 37.690 38.000 -0.060 0.000 1.058 445 I HN -0.087 nan 8.210 nan 0.000 0.410 446 A N 0.819 123.615 122.820 -0.040 0.000 1.986 446 A HA -0.224 4.096 4.320 0.000 0.000 0.220 446 A C 2.313 179.898 177.584 0.002 0.000 1.171 446 A CA 1.615 53.633 52.037 -0.030 0.000 0.640 446 A CB -0.551 18.426 19.000 -0.039 0.000 0.811 446 A HN 0.349 nan 8.150 nan 0.000 0.451 447 R N -0.652 119.841 120.500 -0.011 0.000 2.275 447 R HA 0.100 4.440 4.340 0.000 0.000 0.199 447 R C -0.009 176.277 176.300 -0.023 0.000 0.989 447 R CA 0.135 56.223 56.100 -0.021 0.000 1.016 447 R CB -0.296 29.984 30.300 -0.032 0.000 0.918 447 R HN 0.376 nan 8.270 nan 0.000 0.473 448 V N 1.506 121.406 119.914 -0.023 0.000 2.637 448 V HA -0.045 4.075 4.120 0.000 0.000 0.296 448 V C 0.707 176.743 176.094 -0.096 0.000 1.046 448 V CA -0.568 61.678 62.300 -0.091 0.000 1.066 448 V CB 1.267 32.994 31.823 -0.161 0.000 0.968 448 V HN 0.252 nan 8.190 nan 0.000 0.483 449 C N 7.235 126.465 119.300 -0.117 0.000 2.416 449 C HA 0.261 4.721 4.460 0.000 0.000 0.355 449 C C 0.479 175.411 174.990 -0.096 0.000 1.211 449 C CA -0.502 58.482 59.018 -0.057 0.000 1.699 449 C CB -1.827 25.890 27.740 -0.038 0.000 2.310 449 C HN 0.847 nan 8.230 nan 0.000 0.539 450 H N 4.021 123.104 119.070 0.023 0.000 2.473 450 H HA 0.402 4.958 4.556 0.000 0.000 0.327 450 H C 0.562 175.924 175.328 0.057 0.000 1.105 450 H CA -0.014 56.058 56.048 0.040 0.000 1.280 450 H CB 1.586 31.375 29.762 0.046 0.000 1.450 450 H HN 0.858 nan 8.280 nan 0.000 0.492 451 A N 2.848 125.762 122.820 0.156 0.000 2.531 451 A HA -0.014 4.306 4.320 0.000 0.000 0.236 451 A C -0.065 177.621 177.584 0.170 0.000 1.062 451 A CA 0.340 52.456 52.037 0.133 0.000 0.760 451 A CB -0.336 18.720 19.000 0.093 0.000 0.995 451 A HN 0.850 nan 8.150 nan 0.000 0.501 452 H N 2.106 121.213 119.070 0.062 0.000 2.495 452 H HA 0.641 5.197 4.556 0.000 0.000 0.348 452 H C -2.470 172.889 175.328 0.052 0.000 1.113 452 H CA -1.610 54.472 56.048 0.057 0.000 1.195 452 H CB 1.418 31.209 29.762 0.048 0.000 1.521 452 H HN 0.543 nan 8.280 nan 0.000 0.509 453 P HA 0.261 nan 4.420 nan 0.000 0.301 453 P C -1.213 175.992 177.300 -0.158 0.000 1.348 453 P CA -0.627 62.149 63.100 -0.539 0.000 0.826 453 P CB 1.583 32.932 31.700 -0.584 0.000 0.945 454 T N -0.463 114.051 114.554 -0.068 0.000 2.907 454 T HA 0.338 4.688 4.350 0.000 0.000 0.290 454 T C 1.136 175.868 174.700 0.053 0.000 1.066 454 T CA -0.892 61.216 62.100 0.014 0.000 1.012 454 T CB 0.821 69.721 68.868 0.054 0.000 1.184 454 T HN -0.051 nan 8.240 nan 0.000 0.522 455 L N 0.837 122.118 121.223 0.097 0.000 2.093 455 L HA -0.014 4.326 4.340 0.000 0.000 0.208 455 L C 2.800 179.781 176.870 0.185 0.000 1.085 455 L CA 1.536 56.503 54.840 0.211 0.000 0.755 455 L CB -2.133 40.036 42.059 0.183 0.000 0.904 455 L HN 0.820 nan 8.230 nan 0.000 0.435 456 S N -0.172 115.591 115.700 0.104 0.000 2.461 456 S HA -0.240 4.231 4.470 0.000 0.000 0.249 456 S C 1.768 176.308 174.600 -0.099 0.000 1.012 456 S CA 1.130 59.363 58.200 0.056 0.000 0.982 456 S CB -0.271 63.000 63.200 0.118 0.000 0.764 456 S HN 0.499 nan 8.310 nan 0.000 0.506 457 E N 0.571 120.713 120.200 -0.097 0.000 2.274 457 E HA 0.008 4.358 4.350 0.000 0.000 0.194 457 E C 2.105 178.481 176.600 -0.373 0.000 0.996 457 E CA 0.700 56.965 56.400 -0.225 0.000 0.840 457 E CB -0.114 29.532 29.700 -0.090 0.000 0.772 457 E HN 0.567 nan 8.360 nan 0.000 0.491 458 A N 0.174 122.808 122.820 -0.311 0.000 2.067 458 A HA -0.082 4.238 4.320 0.000 0.000 0.217 458 A C 1.725 179.087 177.584 -0.370 0.000 1.156 458 A CA 0.347 52.060 52.037 -0.540 0.000 0.683 458 A CB -0.302 18.413 19.000 -0.476 0.000 0.808 458 A HN 0.324 nan 8.150 nan 0.000 0.455 459 F N 0.445 120.187 119.950 -0.347 0.000 2.234 459 F HA 0.056 4.583 4.527 0.000 0.000 0.296 459 F C 2.209 177.840 175.800 -0.282 0.000 1.089 459 F CA 1.349 59.205 58.000 -0.239 0.000 1.343 459 F CB -0.219 38.685 39.000 -0.159 0.000 1.040 459 F HN 0.173 nan 8.300 nan 0.000 0.498 460 R N 0.532 120.738 120.500 -0.489 0.000 2.066 460 R HA -0.138 4.202 4.340 0.000 0.000 0.232 460 R C 2.123 178.182 176.300 -0.402 0.000 1.131 460 R CA 1.775 57.572 56.100 -0.506 0.000 0.955 460 R CB -0.457 29.509 30.300 -0.558 0.000 0.851 460 R HN 0.286 nan 8.270 nan 0.000 0.432 461 E N 0.059 119.962 120.200 -0.496 0.000 2.106 461 E HA -0.144 4.206 4.350 0.000 0.000 0.192 461 E C 1.820 178.236 176.600 -0.307 0.000 0.984 461 E CA 1.092 57.200 56.400 -0.487 0.000 0.806 461 E CB -0.046 29.061 29.700 -0.988 0.000 0.750 461 E HN 0.432 nan 8.360 nan 0.000 0.458 462 A N 1.702 124.336 122.820 -0.311 0.000 1.969 462 A HA -0.162 4.158 4.320 0.000 0.000 0.218 462 A C 1.922 179.417 177.584 -0.149 0.000 1.169 462 A CA 1.081 53.047 52.037 -0.118 0.000 0.635 462 A CB -0.369 18.586 19.000 -0.075 0.000 0.810 462 A HN 0.150 nan 8.150 nan 0.000 0.445 463 N N -0.436 118.092 118.700 -0.286 0.000 2.309 463 N HA -0.106 4.634 4.740 0.000 0.000 0.182 463 N C 1.616 177.058 175.510 -0.113 0.000 1.018 463 N CA 1.349 54.251 53.050 -0.247 0.000 0.876 463 N CB -0.172 38.081 38.487 -0.389 0.000 0.972 463 N HN 0.473 nan 8.380 nan 0.000 0.434 464 L N 1.018 122.185 121.223 -0.094 0.000 2.109 464 L HA 0.102 4.442 4.340 0.000 0.000 0.207 464 L C 2.026 178.930 176.870 0.056 0.000 1.086 464 L CA 1.309 56.147 54.840 -0.003 0.000 0.760 464 L CB -0.556 41.503 42.059 0.000 0.000 0.910 464 L HN -0.005 nan 8.230 nan 0.000 0.437 465 A N -0.685 122.158 122.820 0.038 0.000 2.119 465 A HA 0.231 4.551 4.320 0.000 0.000 0.217 465 A C 2.135 179.743 177.584 0.040 0.000 1.153 465 A CA 0.992 53.064 52.037 0.059 0.000 0.692 465 A CB -0.765 18.293 19.000 0.096 0.000 0.799 465 A HN 0.506 nan 8.150 nan 0.000 0.458 466 A N -1.311 121.526 122.820 0.027 0.000 2.345 466 A HA 0.454 4.774 4.320 0.000 0.000 0.225 466 A C 1.743 179.353 177.584 0.043 0.000 1.243 466 A CA 0.893 52.950 52.037 0.033 0.000 0.875 466 A CB -0.110 18.907 19.000 0.027 0.000 0.929 466 A HN 0.353 nan 8.150 nan 0.000 0.502 467 S N -0.915 114.823 115.700 0.064 0.000 2.967 467 S HA 0.372 4.842 4.470 0.000 0.000 0.167 467 S C 0.277 174.976 174.600 0.165 0.000 0.696 467 S CA -0.566 57.688 58.200 0.090 0.000 0.874 467 S CB -0.439 62.810 63.200 0.081 0.000 0.718 467 S HN 0.431 nan 8.310 nan 0.000 0.634 468 F N 2.925 122.871 119.950 -0.006 0.000 2.669 468 F HA 0.134 4.661 4.527 0.000 0.000 0.344 468 F C 1.656 177.458 175.800 0.004 0.000 1.161 468 F CA -0.046 57.953 58.000 -0.002 0.000 1.377 468 F CB -0.178 38.820 39.000 -0.003 0.000 1.047 468 F HN 0.368 nan 8.300 nan 0.000 0.627 469 G N 3.886 112.502 108.800 -0.306 0.000 2.433 469 G HA2 -0.131 3.829 3.960 0.000 0.000 0.216 469 G HA3 -0.131 3.829 3.960 0.000 0.000 0.216 469 G C 0.602 175.368 174.900 -0.223 0.000 1.186 469 G CA 1.035 45.978 45.100 -0.262 0.000 0.779 469 G HN 0.641 nan 8.290 nan 0.000 0.543 470 K N -0.039 120.151 120.400 -0.350 0.000 2.354 470 K HA 0.605 4.925 4.320 0.000 0.000 0.238 470 K C -0.426 176.169 176.600 -0.008 0.000 1.068 470 K CA -0.259 55.936 56.287 -0.154 0.000 0.925 470 K CB 1.388 33.780 32.500 -0.180 0.000 1.286 470 K HN 0.248 nan 8.250 nan 0.000 0.500 471 S N -1.030 114.722 115.700 0.087 0.000 2.751 471 S HA 0.413 4.883 4.470 0.000 0.000 0.310 471 S C 1.140 175.842 174.600 0.170 0.000 1.128 471 S CA -0.997 57.301 58.200 0.163 0.000 0.931 471 S CB 0.763 64.092 63.200 0.215 0.000 1.177 471 S HN 0.510 nan 8.310 nan 0.000 0.530 472 I N 1.234 121.906 120.570 0.170 0.000 2.188 472 I HA -0.023 4.147 4.170 0.000 0.000 0.237 472 I C 1.647 177.875 176.117 0.184 0.000 1.073 472 I CA 0.912 62.301 61.300 0.149 0.000 1.359 472 I CB -1.315 36.752 38.000 0.111 0.000 1.083 472 I HN 0.666 nan 8.210 nan 0.000 0.412 473 N N 0.020 118.887 118.700 0.279 0.000 2.571 473 N HA -0.027 4.713 4.740 0.000 0.000 0.189 473 N C 0.023 175.766 175.510 0.387 0.000 1.154 473 N CA 0.426 53.681 53.050 0.342 0.000 0.907 473 N CB 0.218 38.963 38.487 0.429 0.000 0.977 473 N HN 0.193 nan 8.380 nan 0.000 0.449 474 F N 0.000 120.045 119.950 0.159 0.000 2.286 474 F HA 0.000 4.527 4.527 0.000 0.000 0.279 474 F CA 0.000 58.000 58.000 0.000 0.000 1.383 474 F CB 0.000 38.877 39.000 -0.205 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574