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 2wgg_1_F DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.569 174.600 -0.051 0.000 1.055 2 S CA 0.000 58.179 58.200 -0.036 0.000 1.107 2 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 3 Q N 2.917 122.692 119.800 -0.042 0.000 2.269 3 Q HA 0.249 4.582 4.340 -0.011 0.000 0.300 3 Q C -2.342 173.595 176.000 -0.106 0.000 1.070 3 Q CA -0.221 55.551 55.803 -0.050 0.000 0.957 3 Q CB -0.107 28.623 28.738 -0.014 0.000 1.131 3 Q HN 0.362 nan 8.270 nan 0.000 0.377 4 P HA 0.029 nan 4.420 nan 0.000 0.268 4 P C -0.970 176.063 177.300 -0.446 0.000 1.204 4 P CA -0.013 62.826 63.100 -0.435 0.000 0.768 4 P CB 1.028 32.291 31.700 -0.728 0.000 0.842 5 S N 0.260 115.755 115.700 -0.342 0.000 2.618 5 S HA 0.380 4.843 4.470 -0.011 0.000 0.277 5 S C 0.891 175.556 174.600 0.108 0.000 1.138 5 S CA -0.474 57.719 58.200 -0.011 0.000 0.844 5 S CB 0.979 64.204 63.200 0.043 0.000 1.127 5 S HN 0.240 nan 8.310 nan 0.000 0.474 6 T N 1.610 116.386 114.554 0.370 0.000 2.746 6 T HA 0.005 4.348 4.350 -0.011 0.000 0.267 6 T C 2.090 176.893 174.700 0.172 0.000 1.039 6 T CA 1.807 64.112 62.100 0.342 0.000 1.142 6 T CB -0.815 68.270 68.868 0.362 0.000 0.866 6 T HN 0.889 nan 8.240 nan 0.000 0.444 7 A N 2.818 125.708 122.820 0.116 0.000 1.969 7 A HA -0.088 4.225 4.320 -0.011 0.000 0.218 7 A C 1.936 179.544 177.584 0.041 0.000 1.169 7 A CA 1.536 53.615 52.037 0.069 0.000 0.635 7 A CB -0.501 18.519 19.000 0.034 0.000 0.810 7 A HN 0.631 nan 8.150 nan 0.000 0.445 8 N N -0.856 117.855 118.700 0.017 0.000 2.383 8 N HA 0.233 4.966 4.740 -0.011 0.000 0.192 8 N C 0.934 176.434 175.510 -0.016 0.000 1.141 8 N CA 0.917 53.961 53.050 -0.010 0.000 0.851 8 N CB -0.446 38.020 38.487 -0.034 0.000 0.976 8 N HN 0.692 nan 8.380 nan 0.000 0.465 9 G N -1.342 107.464 108.800 0.010 0.000 2.155 9 G HA2 -0.261 3.692 3.960 -0.011 0.000 0.257 9 G HA3 -0.261 3.692 3.960 -0.011 0.000 0.257 9 G C 0.913 175.795 174.900 -0.030 0.000 0.983 9 G CA 0.342 45.452 45.100 0.016 0.000 0.676 9 G HN 0.682 nan 8.290 nan 0.000 0.528 10 G N -0.841 107.887 108.800 -0.120 0.000 2.464 10 G HA2 0.354 4.308 3.960 -0.011 0.000 0.217 10 G HA3 0.354 4.308 3.960 -0.011 0.000 0.217 10 G C 0.446 175.148 174.900 -0.329 0.000 1.138 10 G CA 0.554 45.491 45.100 -0.272 0.000 0.793 10 G HN 0.398 nan 8.290 nan 0.000 0.539 11 F N 1.448 121.417 119.950 0.031 0.000 2.458 11 F HA 0.449 4.979 4.527 0.004 0.000 0.330 11 F C -1.810 173.999 175.800 0.015 0.000 1.082 11 F CA -3.454 54.545 58.000 -0.001 0.000 0.995 11 F CB 1.437 40.458 39.000 0.035 0.000 1.170 11 F HN -0.177 nan 8.300 nan 0.000 0.478 12 P HA -0.010 nan 4.420 nan 0.000 0.267 12 P C -0.355 177.043 177.300 0.164 0.000 1.200 12 P CA -0.080 63.093 63.100 0.121 0.000 0.772 12 P CB 0.860 32.593 31.700 0.055 0.000 0.855 13 S N 1.864 117.659 115.700 0.158 0.000 2.548 13 S HA 0.278 4.741 4.470 -0.011 0.000 0.277 13 S C -0.272 174.427 174.600 0.165 0.000 1.315 13 S CA -0.503 57.809 58.200 0.187 0.000 1.050 13 S CB -0.148 63.155 63.200 0.171 0.000 0.918 13 S HN 0.223 nan 8.310 nan 0.000 0.497 14 V N 5.663 125.700 119.914 0.206 0.000 2.604 14 V HA 0.632 4.745 4.120 -0.011 0.000 0.305 14 V C -0.078 176.112 176.094 0.160 0.000 1.043 14 V CA -0.711 61.696 62.300 0.178 0.000 0.888 14 V CB 1.614 33.591 31.823 0.257 0.000 0.995 14 V HN 0.915 nan 8.190 nan 0.000 0.429 15 V N 2.374 122.347 119.914 0.099 0.000 2.864 15 V HA 0.753 4.866 4.120 -0.011 0.000 0.314 15 V C -0.408 175.711 176.094 0.041 0.000 1.073 15 V CA -0.921 61.410 62.300 0.051 0.000 0.956 15 V CB 1.930 33.716 31.823 -0.062 0.000 1.023 15 V HN 0.471 nan 8.190 nan 0.000 0.435 16 V N 3.153 123.088 119.914 0.035 0.000 2.364 16 V HA 0.376 4.490 4.120 -0.011 0.000 0.272 16 V C 1.310 177.369 176.094 -0.058 0.000 1.036 16 V CA 0.642 62.955 62.300 0.021 0.000 0.880 16 V CB 0.798 32.652 31.823 0.052 0.000 0.991 16 V HN 1.182 nan 8.190 nan 0.000 0.460 17 T N 0.779 115.296 114.554 -0.061 0.000 3.010 17 T HA 0.618 4.962 4.350 -0.011 0.000 0.257 17 T C 0.351 174.995 174.700 -0.092 0.000 1.020 17 T CA 0.461 62.502 62.100 -0.097 0.000 0.938 17 T CB 0.591 69.399 68.868 -0.100 0.000 1.049 17 T HN 0.949 nan 8.240 nan 0.000 0.522 18 A N 0.993 123.772 122.820 -0.068 0.000 2.589 18 A HA 0.730 5.043 4.320 -0.011 0.000 0.296 18 A C -1.071 176.486 177.584 -0.044 0.000 1.062 18 A CA -0.658 51.340 52.037 -0.064 0.000 0.686 18 A CB 1.628 20.585 19.000 -0.071 0.000 1.282 18 A HN 1.000 nan 8.150 nan 0.000 0.404 19 V N -1.419 118.463 119.914 -0.053 0.000 2.925 19 V HA 0.979 5.093 4.120 -0.011 0.000 0.311 19 V C -0.488 175.586 176.094 -0.032 0.000 1.104 19 V CA -0.249 62.023 62.300 -0.047 0.000 0.954 19 V CB 1.461 33.227 31.823 -0.094 0.000 1.022 19 V HN 1.406 nan 8.190 nan 0.000 0.427 20 T N 1.972 116.518 114.554 -0.013 0.000 2.933 20 T HA 0.886 5.229 4.350 -0.011 0.000 0.305 20 T C -0.739 173.960 174.700 -0.001 0.000 1.092 20 T CA 0.363 62.461 62.100 -0.005 0.000 1.008 20 T CB 1.500 70.374 68.868 0.011 0.000 1.102 20 T HN 2.044 nan 8.240 nan 0.000 0.469 21 A N 2.218 125.040 122.820 0.004 0.000 2.594 21 A HA 0.794 5.107 4.320 -0.011 0.000 0.295 21 A C -0.617 176.982 177.584 0.026 0.000 1.071 21 A CA -0.683 51.364 52.037 0.016 0.000 0.685 21 A CB 2.046 21.057 19.000 0.018 0.000 1.285 21 A HN 0.762 nan 8.150 nan 0.000 0.405 22 T N 0.231 114.807 114.554 0.037 0.000 2.863 22 T HA 0.791 5.135 4.350 -0.011 0.000 0.285 22 T C -0.641 174.103 174.700 0.074 0.000 1.009 22 T CA -0.021 62.111 62.100 0.053 0.000 0.989 22 T CB 1.374 70.272 68.868 0.049 0.000 1.004 22 T HN 0.918 nan 8.240 nan 0.000 0.455 23 T N 1.066 115.672 114.554 0.087 0.000 2.821 23 T HA 0.359 4.702 4.350 -0.011 0.000 0.306 23 T C 1.217 175.983 174.700 0.111 0.000 1.313 23 T CA -0.137 62.019 62.100 0.094 0.000 1.012 23 T CB 1.472 70.393 68.868 0.088 0.000 1.298 23 T HN 0.656 nan 8.240 nan 0.000 0.502 24 S N 0.662 116.432 115.700 0.116 0.000 2.474 24 S HA 0.032 4.495 4.470 -0.011 0.000 0.235 24 S C 1.772 176.450 174.600 0.129 0.000 0.997 24 S CA 0.688 58.973 58.200 0.142 0.000 0.949 24 S CB -0.450 62.832 63.200 0.136 0.000 0.766 24 S HN 0.626 nan 8.310 nan 0.000 0.517 25 I N 0.468 121.102 120.570 0.106 0.000 2.585 25 I HA 0.132 4.296 4.170 -0.011 0.000 0.254 25 I C 1.118 177.286 176.117 0.085 0.000 1.129 25 I CA 0.568 61.924 61.300 0.093 0.000 1.455 25 I CB 0.279 38.331 38.000 0.087 0.000 1.111 25 I HN 0.382 nan 8.210 nan 0.000 0.433 26 S N -0.730 115.022 115.700 0.088 0.000 2.558 26 S HA 0.289 4.752 4.470 -0.011 0.000 0.277 26 S C -2.384 172.262 174.600 0.077 0.000 1.143 26 S CA -0.895 57.352 58.200 0.079 0.000 0.865 26 S CB 1.717 64.963 63.200 0.076 0.000 1.102 26 S HN -0.173 nan 8.310 nan 0.000 0.454 27 P HA 0.215 nan 4.420 nan 0.000 0.245 27 P C -0.688 176.632 177.300 0.033 0.000 1.206 27 P CA 0.421 63.553 63.100 0.053 0.000 0.781 27 P CB -0.162 31.572 31.700 0.056 0.000 0.994 28 D N 0.420 120.846 120.400 0.045 0.000 2.303 28 D HA 0.090 4.723 4.640 -0.011 0.000 0.236 28 D C 1.196 177.528 176.300 0.054 0.000 1.068 28 D CA -0.664 53.360 54.000 0.039 0.000 0.830 28 D CB 1.964 42.789 40.800 0.042 0.000 1.109 28 D HN -0.181 nan 8.370 nan 0.000 0.496 29 I N 2.246 122.839 120.570 0.038 0.000 2.194 29 I HA -0.288 3.876 4.170 -0.011 0.000 0.246 29 I C 1.788 177.957 176.117 0.086 0.000 1.093 29 I CA 1.852 63.179 61.300 0.044 0.000 1.355 29 I CB 0.042 38.037 38.000 -0.008 0.000 1.046 29 I HN 0.275 nan 8.210 nan 0.000 0.413 30 E N 0.012 120.255 120.200 0.073 0.000 2.106 30 E HA -0.136 4.208 4.350 -0.011 0.000 0.192 30 E C 2.361 179.062 176.600 0.168 0.000 0.984 30 E CA 1.330 57.805 56.400 0.125 0.000 0.806 30 E CB -0.442 29.307 29.700 0.081 0.000 0.750 30 E HN 0.481 nan 8.360 nan 0.000 0.458 31 S N 0.529 116.298 115.700 0.115 0.000 2.368 31 S HA -0.109 4.354 4.470 -0.011 0.000 0.225 31 S C 2.119 176.788 174.600 0.116 0.000 1.030 31 S CA 1.467 59.727 58.200 0.100 0.000 0.999 31 S CB -0.304 62.940 63.200 0.073 0.000 0.844 31 S HN 0.292 nan 8.310 nan 0.000 0.459 32 T N 1.176 115.810 114.554 0.134 0.000 2.684 32 T HA -0.175 4.169 4.350 -0.011 0.000 0.267 32 T C 1.321 176.146 174.700 0.209 0.000 1.036 32 T CA 1.228 63.417 62.100 0.149 0.000 1.148 32 T CB -0.375 68.582 68.868 0.148 0.000 0.863 32 T HN 0.608 nan 8.240 nan 0.000 0.436 33 W N 1.932 123.236 121.300 0.008 0.000 2.338 33 W HA -0.157 4.497 4.660 -0.010 0.000 0.304 33 W C 2.097 178.609 176.519 -0.011 0.000 1.212 33 W CA 1.136 58.476 57.345 -0.008 0.000 1.264 33 W CB -0.096 29.354 29.460 -0.017 0.000 1.142 33 W HN 0.263 nan 8.180 nan 0.000 0.512 34 K N -0.330 120.114 120.400 0.074 0.000 2.097 34 K HA -0.118 4.196 4.320 -0.011 0.000 0.205 34 K C 2.295 178.845 176.600 -0.083 0.000 1.050 34 K CA 1.385 57.638 56.287 -0.057 0.000 0.938 34 K CB -0.831 31.683 32.500 0.024 0.000 0.718 34 K HN 0.211 nan 8.250 nan 0.000 0.442 35 G N 1.475 110.264 108.800 -0.019 0.000 2.418 35 G HA2 -0.221 3.732 3.960 -0.011 0.000 0.217 35 G HA3 -0.221 3.732 3.960 -0.011 0.000 0.217 35 G C 1.494 176.362 174.900 -0.052 0.000 1.158 35 G CA 0.519 45.609 45.100 -0.017 0.000 0.771 35 G HN 0.087 nan 8.290 nan 0.000 0.545 36 L N -0.034 121.149 121.223 -0.067 0.000 2.042 36 L HA -0.047 4.286 4.340 -0.011 0.000 0.210 36 L C 2.847 179.570 176.870 -0.244 0.000 1.076 36 L CA 0.699 55.477 54.840 -0.103 0.000 0.749 36 L CB -0.419 41.604 42.059 -0.059 0.000 0.893 36 L HN 0.178 nan 8.230 nan 0.000 0.432 37 L N -0.441 120.542 121.223 -0.401 0.000 2.275 37 L HA -0.130 4.204 4.340 -0.011 0.000 0.215 37 L C 2.506 179.243 176.870 -0.223 0.000 1.119 37 L CA 0.750 55.336 54.840 -0.424 0.000 0.790 37 L CB -0.582 41.151 42.059 -0.543 0.000 0.919 37 L HN 0.228 nan 8.230 nan 0.000 0.443 38 A N -0.487 122.244 122.820 -0.149 0.000 2.251 38 A HA 0.320 4.634 4.320 -0.011 0.000 0.209 38 A C 1.748 179.300 177.584 -0.054 0.000 1.187 38 A CA 0.689 52.679 52.037 -0.079 0.000 0.823 38 A CB -0.305 18.665 19.000 -0.051 0.000 0.846 38 A HN 0.486 nan 8.150 nan 0.000 0.486 39 G N -0.501 108.261 108.800 -0.063 0.000 2.141 39 G HA2 -0.225 3.729 3.960 -0.011 0.000 0.242 39 G HA3 -0.225 3.729 3.960 -0.011 0.000 0.242 39 G C -0.143 174.757 174.900 0.000 0.000 0.982 39 G CA 0.287 45.372 45.100 -0.026 0.000 0.662 39 G HN 0.618 nan 8.290 nan 0.000 0.527 40 E N 0.358 120.558 120.200 -0.000 0.000 2.373 40 E HA 0.507 4.850 4.350 -0.011 0.000 0.263 40 E C 0.282 176.904 176.600 0.038 0.000 1.073 40 E CA 0.352 56.764 56.400 0.021 0.000 0.894 40 E CB 1.208 30.921 29.700 0.022 0.000 1.008 40 E HN 0.194 nan 8.360 nan 0.000 0.420 41 S N 0.353 116.080 115.700 0.045 0.000 2.537 41 S HA 0.493 4.957 4.470 -0.011 0.000 0.301 41 S C 0.590 175.231 174.600 0.069 0.000 1.092 41 S CA -0.423 57.809 58.200 0.053 0.000 1.048 41 S CB 1.464 64.692 63.200 0.046 0.000 1.053 41 S HN 0.596 nan 8.310 nan 0.000 0.501 42 G N 2.792 111.637 108.800 0.074 0.000 3.088 42 G HA2 0.196 4.150 3.960 -0.011 0.000 0.217 42 G HA3 0.196 4.150 3.960 -0.011 0.000 0.217 42 G C 0.238 175.207 174.900 0.115 0.000 1.159 42 G CA -0.103 45.060 45.100 0.105 0.000 0.760 42 G HN 0.596 nan 8.290 nan 0.000 0.550 43 I N 2.070 122.670 120.570 0.050 0.000 2.474 43 I HA 0.372 4.535 4.170 -0.011 0.000 0.287 43 I C 0.434 176.563 176.117 0.021 0.000 1.048 43 I CA -0.889 60.387 61.300 -0.040 0.000 1.383 43 I CB 0.206 38.180 38.000 -0.043 0.000 1.412 43 I HN 0.426 nan 8.210 nan 0.000 0.531 44 H N 2.882 121.956 119.070 0.006 0.000 2.959 44 H HA 0.863 5.413 4.556 -0.011 0.000 0.296 44 H C -0.818 174.511 175.328 0.002 0.000 1.421 44 H CA -1.173 54.881 56.048 0.010 0.000 1.206 44 H CB 0.809 30.585 29.762 0.024 0.000 1.891 44 H HN 0.604 nan 8.280 nan 0.000 0.573 45 A N 1.117 124.063 122.820 0.209 0.000 2.327 45 A HA 0.462 4.775 4.320 -0.011 0.000 0.283 45 A C -0.196 177.512 177.584 0.207 0.000 1.127 45 A CA -0.788 51.322 52.037 0.121 0.000 0.810 45 A CB -0.134 18.919 19.000 0.089 0.000 1.066 45 A HN 0.576 nan 8.150 nan 0.000 0.492 46 L N 1.859 123.130 121.223 0.080 0.000 2.416 46 L HA 0.219 4.553 4.340 -0.011 0.000 0.272 46 L C 0.903 177.797 176.870 0.041 0.000 1.161 46 L CA 0.225 55.112 54.840 0.078 0.000 0.845 46 L CB 0.462 42.532 42.059 0.018 0.000 1.119 46 L HN 1.013 nan 8.230 nan 0.000 0.464 47 E N -0.468 119.745 120.200 0.021 0.000 2.702 47 E HA 0.116 4.460 4.350 -0.011 0.000 0.225 47 E C -0.782 175.754 176.600 -0.107 0.000 0.942 47 E CA -0.507 55.879 56.400 -0.024 0.000 1.210 47 E CB 0.289 29.995 29.700 0.010 0.000 1.143 47 E HN 0.562 nan 8.360 nan 0.000 0.544 48 D N 3.169 123.435 120.400 -0.223 0.000 2.502 48 D HA -0.070 4.563 4.640 -0.011 0.000 0.249 48 D C 0.755 176.820 176.300 -0.393 0.000 1.188 48 D CA 0.370 54.102 54.000 -0.446 0.000 0.890 48 D CB 0.772 40.890 40.800 -1.136 0.000 1.140 48 D HN 0.144 nan 8.370 nan 0.000 0.505 49 E N 1.628 121.729 120.200 -0.164 0.000 2.279 49 E HA -0.289 4.055 4.350 -0.011 0.000 0.205 49 E C 1.403 178.003 176.600 0.001 0.000 1.028 49 E CA 0.985 57.350 56.400 -0.058 0.000 0.830 49 E CB -0.087 29.605 29.700 -0.013 0.000 0.736 49 E HN 0.717 nan 8.360 nan 0.000 0.478 50 F N -1.649 118.350 119.950 0.081 0.000 2.771 50 F HA 0.045 4.566 4.527 -0.011 0.000 0.299 50 F C 1.438 177.365 175.800 0.211 0.000 1.177 50 F CA 0.066 58.139 58.000 0.123 0.000 1.450 50 F CB -0.708 38.506 39.000 0.356 0.000 1.114 50 F HN -0.176 nan 8.300 nan 0.000 0.587 51 V N 0.511 120.604 119.914 0.298 0.000 2.323 51 V HA -0.224 3.890 4.120 -0.011 0.000 0.244 51 V C 2.386 178.607 176.094 0.211 0.000 1.041 51 V CA 2.473 64.955 62.300 0.304 0.000 1.025 51 V CB -0.809 31.100 31.823 0.143 0.000 0.656 51 V HN 0.474 nan 8.190 nan 0.000 0.451 52 T N -0.765 113.854 114.554 0.107 0.000 2.812 52 T HA -0.157 4.187 4.350 -0.011 0.000 0.264 52 T C 1.978 176.689 174.700 0.017 0.000 1.042 52 T CA 1.302 63.437 62.100 0.057 0.000 1.140 52 T CB -0.168 68.712 68.868 0.019 0.000 0.870 52 T HN 0.339 nan 8.240 nan 0.000 0.445 53 K N -0.186 120.185 120.400 -0.048 0.000 2.074 53 K HA -0.156 4.157 4.320 -0.011 0.000 0.209 53 K C 1.187 177.570 176.600 -0.361 0.000 1.048 53 K CA 1.522 57.643 56.287 -0.276 0.000 0.926 53 K CB -0.141 32.100 32.500 -0.431 0.000 0.713 53 K HN 0.508 nan 8.250 nan 0.000 0.444 54 W N 1.042 122.416 121.300 0.123 0.000 3.132 54 W HA 0.121 4.775 4.660 -0.011 0.000 0.364 54 W C -0.185 176.379 176.519 0.075 0.000 1.129 54 W CA -0.874 56.521 57.345 0.082 0.000 1.815 54 W CB 0.361 29.860 29.460 0.064 0.000 1.099 54 W HN 0.093 nan 8.180 nan 0.000 0.605 55 D N 2.228 122.767 120.400 0.231 0.000 3.025 55 D HA -0.199 4.434 4.640 -0.011 0.000 0.201 55 D C -0.154 176.253 176.300 0.178 0.000 1.267 55 D CA 0.886 54.986 54.000 0.166 0.000 0.736 55 D CB -0.618 40.246 40.800 0.106 0.000 0.883 55 D HN 0.159 nan 8.370 nan 0.000 0.388 56 L N 0.782 122.130 121.223 0.209 0.000 2.418 56 L HA 0.377 4.710 4.340 -0.011 0.000 0.265 56 L C 1.933 178.868 176.870 0.107 0.000 1.143 56 L CA -0.197 54.745 54.840 0.170 0.000 0.809 56 L CB 0.939 43.129 42.059 0.217 0.000 1.124 56 L HN 0.254 nan 8.230 nan 0.000 0.456 57 A N 2.690 125.552 122.820 0.070 0.000 2.016 57 A HA 0.080 4.393 4.320 -0.011 0.000 0.217 57 A C 0.723 178.320 177.584 0.022 0.000 1.162 57 A CA 0.513 52.572 52.037 0.036 0.000 0.662 57 A CB -0.036 18.973 19.000 0.015 0.000 0.812 57 A HN 0.387 nan 8.150 nan 0.000 0.450 58 V N 0.614 120.545 119.914 0.029 0.000 2.383 58 V HA 0.249 4.363 4.120 -0.011 0.000 0.275 58 V C 0.285 176.412 176.094 0.055 0.000 1.036 58 V CA -0.199 62.105 62.300 0.007 0.000 0.889 58 V CB 1.141 32.941 31.823 -0.038 0.000 0.985 58 V HN 0.425 nan 8.190 nan 0.000 0.459 59 K N 5.367 125.784 120.400 0.028 0.000 2.564 59 K HA 0.460 4.773 4.320 -0.011 0.000 0.205 59 K C -0.194 176.412 176.600 0.011 0.000 1.053 59 K CA -0.014 56.299 56.287 0.044 0.000 1.072 59 K CB 0.576 33.100 32.500 0.040 0.000 0.822 59 K HN 0.775 nan 8.250 nan 0.000 0.497 60 I N -3.971 116.586 120.570 -0.021 0.000 3.074 60 I HA 0.865 5.028 4.170 -0.011 0.000 0.310 60 I C -0.331 175.712 176.117 -0.124 0.000 1.153 60 I CA -1.024 60.229 61.300 -0.078 0.000 0.993 60 I CB 2.422 40.379 38.000 -0.072 0.000 1.237 60 I HN 0.038 nan 8.210 nan 0.000 0.443 61 G N 1.094 109.740 108.800 -0.258 0.000 2.320 61 G HA2 0.483 4.436 3.960 -0.011 0.000 0.297 61 G HA3 0.483 4.436 3.960 -0.011 0.000 0.297 61 G C -1.434 173.119 174.900 -0.578 0.000 1.344 61 G CA -0.264 44.679 45.100 -0.261 0.000 0.851 61 G HN 1.098 nan 8.290 nan 0.000 0.567 62 G N -0.030 108.555 108.800 -0.359 0.000 2.660 62 G HA2 0.582 4.535 3.960 -0.011 0.000 0.305 62 G HA3 0.582 4.535 3.960 -0.011 0.000 0.305 62 G C -0.431 174.453 174.900 -0.027 0.000 1.329 62 G CA -0.512 44.434 45.100 -0.257 0.000 1.000 62 G HN 0.616 nan 8.290 nan 0.000 0.514 63 H N 1.614 120.883 119.070 0.331 0.000 2.771 63 H HA 0.103 4.652 4.556 -0.011 0.000 0.364 63 H C 1.024 176.470 175.328 0.196 0.000 1.133 63 H CA 0.026 56.222 56.048 0.247 0.000 1.423 63 H CB 1.271 31.184 29.762 0.251 0.000 1.425 63 H HN 0.281 nan 8.280 nan 0.000 0.606 64 L N 2.264 123.657 121.223 0.284 0.000 2.559 64 L HA -0.143 4.190 4.340 -0.011 0.000 0.282 64 L C 1.851 178.826 176.870 0.176 0.000 1.232 64 L CA 0.050 55.010 54.840 0.200 0.000 0.885 64 L CB 0.295 42.465 42.059 0.184 0.000 1.131 64 L HN 0.564 nan 8.230 nan 0.000 0.498 65 K N 2.015 122.500 120.400 0.141 0.000 2.063 65 K HA -0.171 4.142 4.320 -0.011 0.000 0.208 65 K C 0.333 176.991 176.600 0.096 0.000 1.048 65 K CA 1.540 57.890 56.287 0.105 0.000 0.928 65 K CB -0.042 32.513 32.500 0.092 0.000 0.713 65 K HN 0.572 nan 8.250 nan 0.000 0.442 66 D N 0.389 120.859 120.400 0.117 0.000 2.453 66 D HA 0.278 4.911 4.640 -0.011 0.000 0.238 66 D C -2.662 173.735 176.300 0.161 0.000 1.088 66 D CA -2.665 51.417 54.000 0.137 0.000 0.854 66 D CB 1.074 41.985 40.800 0.184 0.000 1.076 66 D HN -0.054 nan 8.370 nan 0.000 0.533 67 P HA -0.051 nan 4.420 nan 0.000 0.265 67 P C 1.272 178.685 177.300 0.188 0.000 1.187 67 P CA -0.384 62.806 63.100 0.150 0.000 0.766 67 P CB 0.962 32.719 31.700 0.096 0.000 0.820 68 V N 2.200 122.227 119.914 0.188 0.000 2.278 68 V HA -0.269 3.845 4.120 -0.011 0.000 0.251 68 V C 1.558 177.728 176.094 0.127 0.000 1.062 68 V CA 2.183 64.555 62.300 0.120 0.000 1.038 68 V CB -0.923 30.848 31.823 -0.087 0.000 0.646 68 V HN 0.565 nan 8.190 nan 0.000 0.447 69 D N 0.105 120.566 120.400 0.102 0.000 2.378 69 D HA -0.073 4.561 4.640 -0.011 0.000 0.222 69 D C 2.250 178.560 176.300 0.017 0.000 0.980 69 D CA 1.282 55.319 54.000 0.061 0.000 0.907 69 D CB -0.123 40.725 40.800 0.080 0.000 0.899 69 D HN 0.653 nan 8.370 nan 0.000 0.527 70 S N -0.748 114.939 115.700 -0.021 0.000 2.515 70 S HA -0.118 4.345 4.470 -0.011 0.000 0.231 70 S C 1.097 175.479 174.600 -0.365 0.000 0.987 70 S CA 0.565 58.650 58.200 -0.191 0.000 0.936 70 S CB -0.366 62.678 63.200 -0.260 0.000 0.766 70 S HN 0.354 nan 8.310 nan 0.000 0.528 71 H N -0.138 118.936 119.070 0.006 0.000 2.592 71 H HA 0.471 5.021 4.556 -0.011 0.000 0.279 71 H C -0.268 175.056 175.328 -0.006 0.000 1.089 71 H CA -0.307 55.741 56.048 0.001 0.000 1.150 71 H CB 0.198 29.960 29.762 0.001 0.000 1.575 71 H HN 0.277 nan 8.280 nan 0.000 0.547 72 M N 1.023 120.658 119.600 0.059 0.000 2.294 72 M HA 0.346 4.819 4.480 -0.011 0.000 0.335 72 M C 0.871 177.181 176.300 0.017 0.000 1.079 72 M CA -0.783 54.537 55.300 0.033 0.000 0.982 72 M CB 1.375 33.985 32.600 0.016 0.000 1.651 72 M HN 0.298 nan 8.290 nan 0.000 0.437 73 G N 2.263 111.072 108.800 0.015 0.000 2.614 73 G HA2 0.096 4.050 3.960 -0.011 0.000 0.239 73 G HA3 0.096 4.050 3.960 -0.011 0.000 0.239 73 G C 0.956 175.861 174.900 0.008 0.000 1.240 73 G CA -0.356 44.749 45.100 0.010 0.000 0.842 73 G HN 0.732 nan 8.290 nan 0.000 0.584 74 R N 0.343 120.848 120.500 0.007 0.000 2.105 74 R HA -0.067 4.266 4.340 -0.011 0.000 0.239 74 R C 2.445 178.750 176.300 0.009 0.000 1.135 74 R CA 0.722 56.828 56.100 0.009 0.000 0.967 74 R CB -0.573 29.732 30.300 0.007 0.000 0.861 74 R HN 0.612 nan 8.270 nan 0.000 0.442 75 L N 0.821 122.048 121.223 0.007 0.000 1.994 75 L HA -0.220 4.114 4.340 -0.011 0.000 0.208 75 L C 1.543 178.416 176.870 0.005 0.000 1.071 75 L CA 1.768 56.611 54.840 0.005 0.000 0.745 75 L CB -0.446 41.615 42.059 0.003 0.000 0.892 75 L HN 0.116 nan 8.230 nan 0.000 0.431 76 D N -0.510 119.892 120.400 0.003 0.000 2.178 76 D HA -0.201 4.432 4.640 -0.011 0.000 0.201 76 D C 2.231 178.532 176.300 0.003 0.000 0.980 76 D CA 1.000 54.999 54.000 -0.002 0.000 0.842 76 D CB -0.028 40.768 40.800 -0.007 0.000 0.948 76 D HN 0.250 nan 8.370 nan 0.000 0.472 77 M N 0.072 119.678 119.600 0.010 0.000 2.279 77 M HA -0.064 4.409 4.480 -0.011 0.000 0.264 77 M C 1.700 178.015 176.300 0.026 0.000 1.062 77 M CA 1.017 56.330 55.300 0.022 0.000 1.099 77 M CB -0.340 32.276 32.600 0.025 0.000 1.394 77 M HN 0.004 nan 8.290 nan 0.000 0.426 78 R N -0.118 120.394 120.500 0.019 0.000 2.156 78 R HA 0.118 4.452 4.340 -0.011 0.000 0.207 78 R C 1.435 177.745 176.300 0.017 0.000 1.040 78 R CA 0.633 56.745 56.100 0.019 0.000 1.013 78 R CB -0.013 30.296 30.300 0.015 0.000 0.931 78 R HN 0.427 nan 8.270 nan 0.000 0.465 79 R N -0.489 120.018 120.500 0.011 0.000 2.543 79 R HA 0.401 4.734 4.340 -0.011 0.000 0.323 79 R C 0.153 176.455 176.300 0.003 0.000 1.002 79 R CA -0.001 56.103 56.100 0.007 0.000 1.106 79 R CB 0.774 31.075 30.300 0.003 0.000 1.280 79 R HN -0.006 nan 8.270 nan 0.000 0.549 80 M N 0.549 120.151 119.600 0.005 0.000 2.518 80 M HA 0.261 4.734 4.480 -0.011 0.000 0.300 80 M C -0.012 176.297 176.300 0.016 0.000 1.175 80 M CA -0.795 54.505 55.300 -0.001 0.000 0.890 80 M CB 2.476 35.065 32.600 -0.019 0.000 1.710 80 M HN -0.040 nan 8.290 nan 0.000 0.453 81 S N 0.638 116.352 115.700 0.023 0.000 2.600 81 S HA 0.099 4.563 4.470 -0.011 0.000 0.265 81 S C 0.801 175.444 174.600 0.072 0.000 1.325 81 S CA -0.331 57.903 58.200 0.057 0.000 1.002 81 S CB 0.570 63.803 63.200 0.055 0.000 0.921 81 S HN 0.778 nan 8.310 nan 0.000 0.554 82 Y N 1.960 122.266 120.300 0.009 0.000 2.114 82 Y HA -0.229 4.314 4.550 -0.011 0.000 0.282 82 Y C 2.284 178.190 175.900 0.011 0.000 1.165 82 Y CA 2.571 60.679 58.100 0.013 0.000 1.148 82 Y CB -0.792 37.676 38.460 0.014 0.000 0.972 82 Y HN 0.555 nan 8.280 nan 0.000 0.504 83 V N -1.537 118.466 119.914 0.148 0.000 2.626 83 V HA -0.254 3.859 4.120 -0.011 0.000 0.252 83 V C 1.891 177.957 176.094 -0.047 0.000 1.067 83 V CA 2.002 64.339 62.300 0.062 0.000 1.081 83 V CB -0.966 30.922 31.823 0.107 0.000 0.686 83 V HN 0.503 nan 8.190 nan 0.000 0.468 84 Q N 0.238 120.011 119.800 -0.044 0.000 2.079 84 Q HA -0.100 4.234 4.340 -0.011 0.000 0.200 84 Q C 2.567 178.510 176.000 -0.095 0.000 0.974 84 Q CA 1.811 57.581 55.803 -0.055 0.000 0.840 84 Q CB -0.170 28.547 28.738 -0.034 0.000 0.898 84 Q HN 0.649 nan 8.270 nan 0.000 0.430 85 R N 0.237 120.648 120.500 -0.149 0.000 2.081 85 R HA -0.107 4.227 4.340 -0.011 0.000 0.235 85 R C 2.284 178.460 176.300 -0.206 0.000 1.131 85 R CA 1.398 57.393 56.100 -0.176 0.000 0.960 85 R CB -0.388 29.781 30.300 -0.218 0.000 0.856 85 R HN 0.330 nan 8.270 nan 0.000 0.436 86 M N 0.511 119.923 119.600 -0.313 0.000 2.159 86 M HA -0.102 4.371 4.480 -0.011 0.000 0.263 86 M C 2.035 178.272 176.300 -0.105 0.000 1.063 86 M CA 2.050 57.216 55.300 -0.222 0.000 1.110 86 M CB -0.304 32.162 32.600 -0.222 0.000 1.374 86 M HN 0.248 nan 8.290 nan 0.000 0.411 87 G N 0.548 109.296 108.800 -0.085 0.000 2.433 87 G HA2 -0.267 3.686 3.960 -0.011 0.000 0.216 87 G HA3 -0.267 3.686 3.960 -0.011 0.000 0.216 87 G C 1.506 176.379 174.900 -0.044 0.000 1.186 87 G CA 1.139 46.210 45.100 -0.049 0.000 0.779 87 G HN 0.547 nan 8.290 nan 0.000 0.543 88 K N -0.223 120.144 120.400 -0.055 0.000 2.063 88 K HA -0.098 4.215 4.320 -0.011 0.000 0.208 88 K C 2.430 179.009 176.600 -0.035 0.000 1.048 88 K CA 1.408 57.668 56.287 -0.044 0.000 0.928 88 K CB -0.301 32.172 32.500 -0.045 0.000 0.713 88 K HN 0.241 nan 8.250 nan 0.000 0.442 89 L N 1.549 122.743 121.223 -0.049 0.000 1.989 89 L HA -0.159 4.174 4.340 -0.011 0.000 0.211 89 L C 2.096 178.943 176.870 -0.038 0.000 1.071 89 L CA 1.632 56.441 54.840 -0.052 0.000 0.749 89 L CB -0.423 41.590 42.059 -0.076 0.000 0.890 89 L HN 0.253 nan 8.230 nan 0.000 0.431 90 L N -1.005 120.201 121.223 -0.029 0.000 2.056 90 L HA -0.076 4.258 4.340 -0.011 0.000 0.207 90 L C 2.538 179.426 176.870 0.030 0.000 1.078 90 L CA 1.108 55.945 54.840 -0.004 0.000 0.749 90 L CB -1.403 40.657 42.059 0.001 0.000 0.901 90 L HN 0.462 nan 8.230 nan 0.000 0.433 91 G N -0.122 108.696 108.800 0.030 0.000 2.442 91 G HA2 -0.202 3.751 3.960 -0.011 0.000 0.219 91 G HA3 -0.202 3.751 3.960 -0.011 0.000 0.219 91 G C 1.572 176.537 174.900 0.108 0.000 1.141 91 G CA 0.805 45.945 45.100 0.066 0.000 0.763 91 G HN 0.485 nan 8.290 nan 0.000 0.554 92 G N 0.168 109.007 108.800 0.066 0.000 2.404 92 G HA2 -0.141 3.812 3.960 -0.011 0.000 0.215 92 G HA3 -0.141 3.812 3.960 -0.011 0.000 0.215 92 G C 1.786 176.752 174.900 0.110 0.000 1.174 92 G CA 1.023 46.176 45.100 0.088 0.000 0.780 92 G HN 0.504 nan 8.290 nan 0.000 0.537 93 Q N -0.475 119.359 119.800 0.057 0.000 2.061 93 Q HA -0.112 4.222 4.340 -0.011 0.000 0.204 93 Q C 2.501 178.542 176.000 0.068 0.000 0.984 93 Q CA 1.355 57.182 55.803 0.040 0.000 0.846 93 Q CB -0.327 28.410 28.738 -0.002 0.000 0.902 93 Q HN 0.423 nan 8.270 nan 0.000 0.421 94 L N 0.093 121.376 121.223 0.100 0.000 2.017 94 L HA -0.167 4.167 4.340 -0.011 0.000 0.208 94 L C 1.993 178.957 176.870 0.156 0.000 1.073 94 L CA 1.752 56.661 54.840 0.115 0.000 0.745 94 L CB -0.624 41.521 42.059 0.144 0.000 0.894 94 L HN 0.395 nan 8.230 nan 0.000 0.432 95 W N 0.595 121.896 121.300 0.002 0.000 2.335 95 W HA -0.289 4.363 4.660 -0.012 0.000 0.311 95 W C 2.434 178.943 176.519 -0.016 0.000 1.213 95 W CA 2.013 59.354 57.345 -0.006 0.000 1.274 95 W CB -0.005 29.462 29.460 0.012 0.000 1.148 95 W HN 0.406 nan 8.180 nan 0.000 0.498 96 E N -0.145 120.124 120.200 0.116 0.000 2.051 96 E HA -0.201 4.142 4.350 -0.011 0.000 0.192 96 E C 2.281 178.848 176.600 -0.055 0.000 0.991 96 E CA 1.855 58.265 56.400 0.016 0.000 0.799 96 E CB -0.400 29.330 29.700 0.049 0.000 0.748 96 E HN -0.061 nan 8.360 nan 0.000 0.449 97 S N -0.217 115.461 115.700 -0.037 0.000 2.387 97 S HA -0.210 4.254 4.470 -0.011 0.000 0.230 97 S C 1.759 176.291 174.600 -0.114 0.000 1.035 97 S CA 1.113 59.278 58.200 -0.059 0.000 1.014 97 S CB -0.215 62.962 63.200 -0.038 0.000 0.836 97 S HN 0.469 nan 8.310 nan 0.000 0.466 98 A N -0.204 122.504 122.820 -0.187 0.000 2.238 98 A HA 0.467 4.781 4.320 -0.011 0.000 0.208 98 A C 1.519 178.915 177.584 -0.314 0.000 1.177 98 A CA 0.876 52.744 52.037 -0.282 0.000 0.804 98 A CB -0.694 18.042 19.000 -0.440 0.000 0.823 98 A HN 0.961 nan 8.150 nan 0.000 0.482 99 G N -1.291 107.358 108.800 -0.252 0.000 2.132 99 G HA2 -0.157 3.797 3.960 -0.011 0.000 0.228 99 G HA3 -0.157 3.797 3.960 -0.011 0.000 0.228 99 G C 0.413 175.157 174.900 -0.259 0.000 1.000 99 G CA 0.337 45.312 45.100 -0.209 0.000 0.693 99 G HN 1.265 nan 8.290 nan 0.000 0.515 100 S N -0.022 115.441 115.700 -0.394 0.000 3.447 100 S HA -0.143 4.321 4.470 -0.011 0.000 0.371 100 S C -1.175 173.228 174.600 -0.329 0.000 0.951 100 S CA 1.093 59.043 58.200 -0.417 0.000 1.269 100 S CB -0.844 62.356 63.200 0.001 0.000 0.919 100 S HN 1.017 nan 8.310 nan 0.000 0.516 101 P HA 0.277 nan 4.420 nan 0.000 0.277 101 P C -0.245 177.047 177.300 -0.014 0.000 1.240 101 P CA -0.285 62.650 63.100 -0.276 0.000 0.798 101 P CB 0.616 32.096 31.700 -0.367 0.000 0.979 102 E N 1.381 121.598 120.200 0.028 0.000 2.105 102 E HA 0.255 4.599 4.350 -0.011 0.000 0.285 102 E C 0.275 176.926 176.600 0.085 0.000 1.055 102 E CA -0.536 55.925 56.400 0.101 0.000 0.843 102 E CB 0.993 30.730 29.700 0.062 0.000 1.067 102 E HN 0.298 nan 8.360 nan 0.000 0.398 103 V N -0.332 119.671 119.914 0.149 0.000 2.994 103 V HA 0.372 4.486 4.120 -0.011 0.000 0.318 103 V C 0.092 176.275 176.094 0.148 0.000 1.085 103 V CA -1.193 61.195 62.300 0.148 0.000 0.998 103 V CB 2.010 33.900 31.823 0.111 0.000 1.063 103 V HN 0.374 nan 8.190 nan 0.000 0.447 104 D N 3.424 123.919 120.400 0.159 0.000 2.346 104 D HA 0.280 4.913 4.640 -0.011 0.000 0.260 104 D C -1.298 175.111 176.300 0.182 0.000 1.252 104 D CA -1.964 52.119 54.000 0.139 0.000 0.895 104 D CB 1.629 42.501 40.800 0.120 0.000 1.097 104 D HN 0.443 nan 8.370 nan 0.000 0.489 105 P HA -0.147 nan 4.420 nan 0.000 0.217 105 P C 0.459 177.851 177.300 0.153 0.000 1.148 105 P CA 0.926 64.148 63.100 0.204 0.000 0.828 105 P CB 0.402 32.172 31.700 0.118 0.000 0.783 106 D N -1.031 119.433 120.400 0.107 0.000 2.363 106 D HA -0.024 4.609 4.640 -0.011 0.000 0.220 106 D C 1.363 177.708 176.300 0.076 0.000 0.994 106 D CA 0.582 54.623 54.000 0.068 0.000 0.890 106 D CB -0.020 40.809 40.800 0.049 0.000 0.906 106 D HN 0.108 nan 8.370 nan 0.000 0.530 107 R N 0.052 120.625 120.500 0.121 0.000 2.577 107 R HA 0.150 4.484 4.340 -0.011 0.000 0.344 107 R C -0.412 175.997 176.300 0.182 0.000 1.037 107 R CA -0.451 55.718 56.100 0.115 0.000 1.102 107 R CB 0.085 30.450 30.300 0.108 0.000 1.313 107 R HN 0.010 nan 8.270 nan 0.000 0.561 108 F N 1.250 121.204 119.950 0.006 0.000 2.427 108 F HA 0.692 5.212 4.527 -0.012 0.000 0.348 108 F C -0.936 174.855 175.800 -0.014 0.000 1.125 108 F CA -2.258 55.745 58.000 0.005 0.000 0.989 108 F CB 1.164 40.185 39.000 0.036 0.000 1.165 108 F HN 0.006 nan 8.300 nan 0.000 0.442 109 A N 4.962 127.797 122.820 0.025 0.000 2.354 109 A HA 0.873 5.186 4.320 -0.011 0.000 0.321 109 A C -1.664 175.773 177.584 -0.244 0.000 1.125 109 A CA -0.712 51.222 52.037 -0.173 0.000 0.799 109 A CB 1.711 20.684 19.000 -0.045 0.000 1.293 109 A HN 0.557 nan 8.150 nan 0.000 0.452 110 V N 1.208 120.976 119.914 -0.244 0.000 2.531 110 V HA 0.531 4.644 4.120 -0.011 0.000 0.301 110 V C -0.930 175.118 176.094 -0.077 0.000 1.034 110 V CA -0.378 61.824 62.300 -0.162 0.000 0.865 110 V CB 1.692 33.374 31.823 -0.234 0.000 0.995 110 V HN 0.678 nan 8.190 nan 0.000 0.424 111 V N 5.585 125.490 119.914 -0.016 0.000 2.447 111 V HA 0.574 4.688 4.120 -0.011 0.000 0.292 111 V C -0.646 175.459 176.094 0.018 0.000 1.021 111 V CA -0.522 61.780 62.300 0.004 0.000 0.850 111 V CB 1.833 33.683 31.823 0.045 0.000 1.005 111 V HN 0.565 nan 8.190 nan 0.000 0.426 112 V N 3.626 123.541 119.914 0.002 0.000 2.569 112 V HA 0.783 4.896 4.120 -0.011 0.000 0.301 112 V C 0.649 176.745 176.094 0.005 0.000 1.044 112 V CA -0.271 62.034 62.300 0.009 0.000 0.874 112 V CB 2.005 33.827 31.823 -0.000 0.000 1.002 112 V HN 0.895 nan 8.190 nan 0.000 0.424 113 G N 1.905 110.713 108.800 0.014 0.000 2.502 113 G HA2 0.679 4.632 3.960 -0.011 0.000 0.305 113 G HA3 0.679 4.632 3.960 -0.011 0.000 0.305 113 G C -0.497 174.408 174.900 0.008 0.000 1.190 113 G CA -0.290 44.814 45.100 0.007 0.000 0.933 113 G HN 0.728 nan 8.290 nan 0.000 0.503 114 T N -1.966 112.589 114.554 0.003 0.000 2.840 114 T HA 0.502 4.846 4.350 -0.011 0.000 0.317 114 T C 1.215 175.918 174.700 0.006 0.000 1.401 114 T CA 0.503 62.609 62.100 0.011 0.000 1.028 114 T CB 1.218 70.095 68.868 0.016 0.000 1.317 114 T HN 0.758 nan 8.240 nan 0.000 0.495 115 G N 0.863 109.671 108.800 0.013 0.000 2.394 115 G HA2 0.127 4.080 3.960 -0.011 0.000 0.215 115 G HA3 0.127 4.080 3.960 -0.011 0.000 0.215 115 G C 1.056 175.967 174.900 0.019 0.000 1.165 115 G CA 0.737 45.848 45.100 0.017 0.000 0.784 115 G HN 0.535 nan 8.290 nan 0.000 0.535 116 L N -2.027 119.206 121.223 0.017 0.000 2.658 116 L HA 0.458 4.792 4.340 -0.011 0.000 0.201 116 L C 1.286 178.161 176.870 0.008 0.000 1.050 116 L CA 0.854 55.702 54.840 0.012 0.000 0.893 116 L CB 0.669 42.736 42.059 0.012 0.000 1.503 116 L HN 0.505 nan 8.230 nan 0.000 0.485 117 G N -0.346 108.464 108.800 0.016 0.000 2.378 117 G HA2 -0.164 3.790 3.960 -0.011 0.000 0.198 117 G HA3 -0.164 3.790 3.960 -0.011 0.000 0.198 117 G C 0.176 175.093 174.900 0.028 0.000 1.223 117 G CA -0.413 44.699 45.100 0.019 0.000 1.088 117 G HN 0.371 nan 8.290 nan 0.000 0.530 118 G N 0.279 109.095 108.800 0.026 0.000 3.458 118 G HA2 0.617 4.571 3.960 -0.011 0.000 0.256 118 G HA3 0.617 4.571 3.960 -0.011 0.000 0.256 118 G C 1.169 176.083 174.900 0.023 0.000 0.938 118 G CA 1.396 46.517 45.100 0.036 0.000 1.890 118 G HN 1.796 nan 8.290 nan 0.000 0.639 119 A N 1.361 124.188 122.820 0.012 0.000 2.015 119 A HA -0.044 4.269 4.320 -0.011 0.000 0.219 119 A C 2.258 179.839 177.584 -0.006 0.000 1.163 119 A CA 1.535 53.568 52.037 -0.006 0.000 0.646 119 A CB -0.039 18.949 19.000 -0.020 0.000 0.806 119 A HN 0.560 nan 8.150 nan 0.000 0.448 120 E N 0.203 120.406 120.200 0.005 0.000 2.204 120 E HA -0.223 4.121 4.350 -0.011 0.000 0.195 120 E C 1.450 178.068 176.600 0.029 0.000 0.990 120 E CA 0.926 57.334 56.400 0.013 0.000 0.821 120 E CB -0.398 29.315 29.700 0.021 0.000 0.750 120 E HN 0.445 nan 8.360 nan 0.000 0.477 121 R N 0.433 120.952 120.500 0.032 0.000 2.200 121 R HA 0.210 4.544 4.340 -0.011 0.000 0.208 121 R C 2.473 178.795 176.300 0.037 0.000 1.033 121 R CA 0.387 56.509 56.100 0.036 0.000 1.000 121 R CB -0.476 29.843 30.300 0.033 0.000 0.906 121 R HN 0.344 nan 8.270 nan 0.000 0.462 122 I N 0.784 121.368 120.570 0.024 0.000 2.110 122 I HA -0.246 3.918 4.170 -0.011 0.000 0.236 122 I C 2.439 178.586 176.117 0.049 0.000 1.068 122 I CA 1.470 62.783 61.300 0.021 0.000 1.333 122 I CB -0.644 37.346 38.000 -0.016 0.000 1.054 122 I HN -0.067 nan 8.210 nan 0.000 0.402 123 V N -1.006 118.925 119.914 0.028 0.000 2.469 123 V HA -0.292 3.821 4.120 -0.011 0.000 0.251 123 V C 2.235 178.410 176.094 0.135 0.000 1.064 123 V CA 2.141 64.487 62.300 0.077 0.000 1.066 123 V CB -0.918 30.922 31.823 0.028 0.000 0.667 123 V HN 0.538 nan 8.190 nan 0.000 0.461 124 E N 0.694 120.946 120.200 0.087 0.000 2.051 124 E HA -0.186 4.157 4.350 -0.011 0.000 0.192 124 E C 2.311 178.958 176.600 0.079 0.000 0.991 124 E CA 1.692 58.137 56.400 0.075 0.000 0.799 124 E CB -0.143 29.590 29.700 0.055 0.000 0.748 124 E HN 0.718 nan 8.360 nan 0.000 0.449 125 S N -0.295 115.457 115.700 0.086 0.000 2.383 125 S HA -0.147 4.317 4.470 -0.011 0.000 0.227 125 S C 1.556 176.217 174.600 0.102 0.000 1.026 125 S CA 0.985 59.232 58.200 0.078 0.000 0.981 125 S CB -0.418 62.823 63.200 0.068 0.000 0.818 125 S HN 0.433 nan 8.310 nan 0.000 0.472 126 Y N 2.597 122.899 120.300 0.004 0.000 2.097 126 Y HA -0.232 4.312 4.550 -0.011 0.000 0.282 126 Y C 2.010 177.913 175.900 0.006 0.000 1.152 126 Y CA 1.866 59.968 58.100 0.003 0.000 1.136 126 Y CB -0.301 38.159 38.460 0.000 0.000 0.975 126 Y HN 0.149 nan 8.280 nan 0.000 0.498 127 D N 0.135 120.544 120.400 0.015 0.000 2.123 127 D HA -0.180 4.454 4.640 -0.011 0.000 0.196 127 D C 2.098 178.351 176.300 -0.077 0.000 0.992 127 D CA 1.138 55.097 54.000 -0.067 0.000 0.833 127 D CB -0.302 40.517 40.800 0.032 0.000 0.954 127 D HN 0.287 nan 8.370 nan 0.000 0.455 128 L N 0.371 121.577 121.223 -0.030 0.000 2.027 128 L HA -0.050 4.283 4.340 -0.011 0.000 0.206 128 L C 2.428 179.272 176.870 -0.043 0.000 1.074 128 L CA 1.294 56.120 54.840 -0.023 0.000 0.745 128 L CB -0.936 41.124 42.059 0.002 0.000 0.898 128 L HN 0.090 nan 8.230 nan 0.000 0.433 129 M N -0.852 118.716 119.600 -0.053 0.000 2.117 129 M HA -0.229 4.244 4.480 -0.011 0.000 0.262 129 M C 1.885 178.127 176.300 -0.096 0.000 1.065 129 M CA 1.559 56.823 55.300 -0.060 0.000 1.114 129 M CB -0.145 32.430 32.600 -0.043 0.000 1.361 129 M HN 0.287 nan 8.290 nan 0.000 0.408 130 N N 0.822 119.419 118.700 -0.172 0.000 2.120 130 N HA -0.095 4.639 4.740 -0.011 0.000 0.188 130 N C 1.671 177.116 175.510 -0.109 0.000 1.024 130 N CA 1.730 54.670 53.050 -0.184 0.000 0.852 130 N CB -0.519 37.780 38.487 -0.314 0.000 1.003 130 N HN 0.475 nan 8.380 nan 0.000 0.424 131 A N -0.015 122.752 122.820 -0.089 0.000 1.854 131 A HA 0.135 4.449 4.320 -0.011 0.000 0.214 131 A C 2.122 179.683 177.584 -0.039 0.000 1.192 131 A CA 1.819 53.824 52.037 -0.054 0.000 0.611 131 A CB -0.704 18.273 19.000 -0.039 0.000 0.832 131 A HN 0.379 nan 8.150 nan 0.000 0.442 132 G N -2.703 106.075 108.800 -0.036 0.000 2.945 132 G HA2 0.499 4.452 3.960 -0.011 0.000 0.225 132 G HA3 0.499 4.452 3.960 -0.011 0.000 0.225 132 G C 0.717 175.604 174.900 -0.022 0.000 1.046 132 G CA 0.638 45.724 45.100 -0.024 0.000 0.842 132 G HN 1.722 nan 8.290 nan 0.000 0.543 133 G N -0.112 108.671 108.800 -0.029 0.000 2.525 133 G HA2 -0.002 3.952 3.960 -0.011 0.000 0.685 133 G HA3 -0.002 3.952 3.960 -0.011 0.000 0.685 133 G C -2.062 172.828 174.900 -0.016 0.000 1.290 133 G CA -0.190 44.897 45.100 -0.023 0.000 0.915 133 G HN -0.039 nan 8.290 nan 0.000 0.548 134 P HA -0.022 nan 4.420 nan 0.000 0.222 134 P C 1.797 179.096 177.300 -0.001 0.000 1.147 134 P CA 1.520 64.618 63.100 -0.003 0.000 0.790 134 P CB -0.068 31.632 31.700 -0.001 0.000 0.780 135 R N -0.491 120.007 120.500 -0.003 0.000 2.280 135 R HA 0.053 4.386 4.340 -0.011 0.000 0.207 135 R C 1.086 177.385 176.300 -0.001 0.000 1.043 135 R CA 0.911 57.010 56.100 -0.002 0.000 1.006 135 R CB -0.466 29.832 30.300 -0.003 0.000 0.885 135 R HN -0.061 nan 8.270 nan 0.000 0.467 136 K N 0.879 121.277 120.400 -0.003 0.000 2.426 136 K HA 0.179 4.493 4.320 -0.011 0.000 0.193 136 K C -0.070 176.532 176.600 0.003 0.000 1.028 136 K CA 0.036 56.322 56.287 -0.001 0.000 1.047 136 K CB 0.391 32.887 32.500 -0.006 0.000 0.821 136 K HN -0.026 nan 8.250 nan 0.000 0.513 137 V N 1.529 121.446 119.914 0.006 0.000 2.508 137 V HA 0.075 4.189 4.120 -0.011 0.000 0.281 137 V C 0.577 176.678 176.094 0.011 0.000 1.041 137 V CA -0.597 61.710 62.300 0.012 0.000 1.016 137 V CB 1.238 33.070 31.823 0.015 0.000 0.984 137 V HN 0.142 nan 8.190 nan 0.000 0.478 138 S N 7.113 122.821 115.700 0.013 0.000 2.562 138 S HA 0.180 4.644 4.470 -0.011 0.000 0.281 138 S C -0.774 173.831 174.600 0.009 0.000 1.333 138 S CA -0.905 57.301 58.200 0.011 0.000 1.052 138 S CB 0.834 64.041 63.200 0.012 0.000 0.884 138 S HN 0.719 nan 8.310 nan 0.000 0.506 139 P HA -0.014 nan 4.420 nan 0.000 0.231 139 P C 0.689 177.991 177.300 0.003 0.000 1.158 139 P CA 0.842 63.944 63.100 0.004 0.000 0.763 139 P CB -0.025 31.676 31.700 0.002 0.000 0.805 140 L N -1.801 119.425 121.223 0.005 0.000 2.640 140 L HA 0.274 4.607 4.340 -0.011 0.000 0.230 140 L C 2.419 179.293 176.870 0.006 0.000 1.123 140 L CA 0.186 55.028 54.840 0.004 0.000 0.900 140 L CB -0.575 41.486 42.059 0.004 0.000 1.146 140 L HN -0.142 nan 8.230 nan 0.000 0.484 141 A N 0.572 123.398 122.820 0.010 0.000 1.883 141 A HA -0.145 4.168 4.320 -0.011 0.000 0.217 141 A C 2.317 179.907 177.584 0.010 0.000 1.186 141 A CA 1.828 53.873 52.037 0.014 0.000 0.624 141 A CB -0.638 18.373 19.000 0.019 0.000 0.822 141 A HN 0.147 nan 8.150 nan 0.000 0.444 142 V N 1.338 121.256 119.914 0.007 0.000 2.255 142 V HA -0.348 3.765 4.120 -0.011 0.000 0.247 142 V C 2.845 178.938 176.094 -0.001 0.000 1.051 142 V CA 2.370 64.671 62.300 0.003 0.000 1.018 142 V CB -1.026 30.797 31.823 0.000 0.000 0.641 142 V HN 0.917 nan 8.190 nan 0.000 0.445 143 Q N -0.744 119.054 119.800 -0.003 0.000 2.364 143 Q HA -0.138 4.196 4.340 -0.011 0.000 0.207 143 Q C 1.979 177.976 176.000 -0.006 0.000 0.970 143 Q CA 1.599 57.397 55.803 -0.008 0.000 0.888 143 Q CB -0.271 28.461 28.738 -0.011 0.000 0.951 143 Q HN 0.569 nan 8.270 nan 0.000 0.469 144 M N 0.066 119.667 119.600 0.001 0.000 2.334 144 M HA 0.064 4.538 4.480 -0.011 0.000 0.266 144 M C 1.937 178.242 176.300 0.010 0.000 1.082 144 M CA 0.944 56.248 55.300 0.006 0.000 1.141 144 M CB 0.127 32.735 32.600 0.014 0.000 1.380 144 M HN 0.189 nan 8.290 nan 0.000 0.440 145 I N 0.605 121.180 120.570 0.008 0.000 2.333 145 I HA -0.088 4.076 4.170 -0.011 0.000 0.246 145 I C 1.300 177.418 176.117 0.002 0.000 1.106 145 I CA 0.044 61.348 61.300 0.008 0.000 1.411 145 I CB -0.127 37.878 38.000 0.007 0.000 1.082 145 I HN 0.331 nan 8.210 nan 0.000 0.420 146 M N 1.719 121.317 119.600 -0.003 0.000 2.261 146 M HA 0.069 4.542 4.480 -0.011 0.000 0.350 146 M C -1.955 174.340 176.300 -0.009 0.000 1.343 146 M CA -0.897 54.398 55.300 -0.008 0.000 1.003 146 M CB -0.433 32.160 32.600 -0.013 0.000 1.848 146 M HN -0.238 nan 8.290 nan 0.000 0.456 147 P HA -0.174 nan 4.420 nan 0.000 0.219 147 P C 0.764 178.055 177.300 -0.015 0.000 1.146 147 P CA 1.530 64.624 63.100 -0.009 0.000 0.808 147 P CB -0.268 31.425 31.700 -0.012 0.000 0.779 148 N N -0.784 117.903 118.700 -0.022 0.000 2.521 148 N HA -0.031 4.702 4.740 -0.011 0.000 0.188 148 N C 1.803 177.294 175.510 -0.031 0.000 1.146 148 N CA 1.035 54.067 53.050 -0.030 0.000 0.893 148 N CB -1.317 37.147 38.487 -0.037 0.000 0.975 148 N HN 0.071 nan 8.380 nan 0.000 0.451 149 G N 1.305 110.092 108.800 -0.023 0.000 2.513 149 G HA2 -0.316 3.637 3.960 -0.011 0.000 0.219 149 G HA3 -0.316 3.637 3.960 -0.011 0.000 0.219 149 G C 1.695 176.578 174.900 -0.028 0.000 1.160 149 G CA 1.814 46.900 45.100 -0.023 0.000 0.767 149 G HN 0.560 nan 8.290 nan 0.000 0.571 150 A N 1.151 123.958 122.820 -0.022 0.000 1.865 150 A HA 0.208 4.522 4.320 -0.011 0.000 0.217 150 A C 2.890 180.451 177.584 -0.039 0.000 1.191 150 A CA 2.683 54.703 52.037 -0.027 0.000 0.623 150 A CB -1.015 17.977 19.000 -0.013 0.000 0.826 150 A HN 1.011 nan 8.150 nan 0.000 0.444 151 A N -0.246 122.550 122.820 -0.040 0.000 1.908 151 A HA 0.112 4.426 4.320 -0.011 0.000 0.218 151 A C 2.517 180.053 177.584 -0.079 0.000 1.181 151 A CA 2.326 54.329 52.037 -0.057 0.000 0.627 151 A CB -1.061 17.906 19.000 -0.054 0.000 0.818 151 A HN 1.116 nan 8.150 nan 0.000 0.445 152 A N -0.609 122.170 122.820 -0.069 0.000 1.877 152 A HA -0.016 4.298 4.320 -0.011 0.000 0.216 152 A C 2.241 179.778 177.584 -0.079 0.000 1.186 152 A CA 1.785 53.777 52.037 -0.076 0.000 0.620 152 A CB -1.060 17.904 19.000 -0.059 0.000 0.822 152 A HN 0.404 nan 8.150 nan 0.000 0.443 153 V N 0.346 120.221 119.914 -0.065 0.000 2.282 153 V HA -0.323 3.790 4.120 -0.011 0.000 0.249 153 V C 2.448 178.492 176.094 -0.082 0.000 1.057 153 V CA 2.333 64.594 62.300 -0.065 0.000 1.032 153 V CB -0.686 31.105 31.823 -0.052 0.000 0.645 153 V HN 0.595 nan 8.190 nan 0.000 0.447 154 I N 0.332 120.851 120.570 -0.086 0.000 2.286 154 I HA -0.145 4.019 4.170 -0.011 0.000 0.248 154 I C 2.533 178.553 176.117 -0.161 0.000 1.115 154 I CA 1.620 62.859 61.300 -0.101 0.000 1.392 154 I CB -0.871 37.085 38.000 -0.073 0.000 1.065 154 I HN 0.411 nan 8.210 nan 0.000 0.418 155 G N 0.746 109.437 108.800 -0.182 0.000 2.403 155 G HA2 -0.193 3.761 3.960 -0.011 0.000 0.216 155 G HA3 -0.193 3.761 3.960 -0.011 0.000 0.216 155 G C 1.621 176.393 174.900 -0.213 0.000 1.154 155 G CA 0.281 45.225 45.100 -0.260 0.000 0.784 155 G HN 0.177 nan 8.290 nan 0.000 0.538 156 L N 0.379 121.514 121.223 -0.147 0.000 2.093 156 L HA 0.009 4.343 4.340 -0.011 0.000 0.208 156 L C 2.917 179.719 176.870 -0.114 0.000 1.085 156 L CA 2.098 56.870 54.840 -0.113 0.000 0.755 156 L CB -0.458 41.551 42.059 -0.083 0.000 0.904 156 L HN 0.421 nan 8.230 nan 0.000 0.435 157 Q N -0.806 118.920 119.800 -0.122 0.000 2.079 157 Q HA -0.180 4.154 4.340 -0.011 0.000 0.200 157 Q C 1.893 177.785 176.000 -0.181 0.000 0.974 157 Q CA 1.747 57.476 55.803 -0.123 0.000 0.840 157 Q CB -0.084 28.590 28.738 -0.106 0.000 0.898 157 Q HN 0.552 nan 8.270 nan 0.000 0.430 158 L N -0.884 120.195 121.223 -0.239 0.000 2.554 158 L HA 0.297 4.630 4.340 -0.011 0.000 0.225 158 L C 0.900 177.673 176.870 -0.162 0.000 1.104 158 L CA 0.322 54.943 54.840 -0.365 0.000 0.866 158 L CB 0.425 42.221 42.059 -0.438 0.000 1.047 158 L HN 0.482 nan 8.230 nan 0.000 0.468 159 G N 1.330 110.045 108.800 -0.140 0.000 2.303 159 G HA2 -0.160 3.793 3.960 -0.011 0.000 0.260 159 G HA3 -0.160 3.793 3.960 -0.011 0.000 0.260 159 G C 0.089 174.950 174.900 -0.066 0.000 1.106 159 G CA 0.005 45.065 45.100 -0.068 0.000 0.900 159 G HN 0.425 nan 8.290 nan 0.000 0.495 160 A N 0.063 122.674 122.820 -0.348 0.000 2.276 160 A HA 0.783 5.096 4.320 -0.011 0.000 0.300 160 A C 1.092 178.508 177.584 -0.280 0.000 1.235 160 A CA -0.294 51.378 52.037 -0.608 0.000 0.867 160 A CB 0.462 18.743 19.000 -1.198 0.000 1.137 160 A HN 0.531 nan 8.150 nan 0.000 0.527 161 R N 2.252 122.671 120.500 -0.136 0.000 2.476 161 R HA 0.208 4.541 4.340 -0.011 0.000 0.276 161 R C 0.833 177.099 176.300 -0.057 0.000 0.941 161 R CA 0.671 56.726 56.100 -0.075 0.000 1.088 161 R CB 0.824 31.111 30.300 -0.022 0.000 1.216 161 R HN 0.682 nan 8.270 nan 0.000 0.533 162 A N 1.127 123.907 122.820 -0.066 0.000 2.507 162 A HA 0.490 4.803 4.320 -0.011 0.000 0.270 162 A C 0.336 177.882 177.584 -0.063 0.000 1.318 162 A CA 0.125 52.138 52.037 -0.039 0.000 0.924 162 A CB 0.348 19.350 19.000 0.004 0.000 1.061 162 A HN 0.281 nan 8.150 nan 0.000 0.516 163 G N -1.307 107.438 108.800 -0.093 0.000 2.841 163 G HA2 0.254 4.207 3.960 -0.011 0.000 0.684 163 G HA3 0.254 4.207 3.960 -0.011 0.000 0.684 163 G C -1.157 173.668 174.900 -0.125 0.000 1.273 163 G CA -0.387 44.658 45.100 -0.091 0.000 0.811 163 G HN 0.827 nan 8.290 nan 0.000 0.631 164 V N 4.202 124.049 119.914 -0.113 0.000 2.409 164 V HA 0.758 4.872 4.120 -0.011 0.000 0.290 164 V C 0.376 176.417 176.094 -0.089 0.000 1.017 164 V CA -0.546 61.682 62.300 -0.119 0.000 0.841 164 V CB 1.691 33.436 31.823 -0.130 0.000 1.003 164 V HN 0.886 nan 8.190 nan 0.000 0.426 165 M N 3.341 122.894 119.600 -0.079 0.000 2.465 165 M HA 0.589 5.063 4.480 -0.011 0.000 0.316 165 M C -0.862 175.400 176.300 -0.064 0.000 1.121 165 M CA -0.257 54.996 55.300 -0.077 0.000 0.934 165 M CB 2.531 35.082 32.600 -0.081 0.000 1.692 165 M HN 0.606 nan 8.290 nan 0.000 0.444 166 T N 4.416 118.928 114.554 -0.070 0.000 3.068 166 T HA 0.432 4.776 4.350 -0.011 0.000 0.364 166 T C -2.613 172.049 174.700 -0.064 0.000 1.161 166 T CA -0.945 61.124 62.100 -0.052 0.000 1.155 166 T CB 0.636 69.478 68.868 -0.043 0.000 1.060 166 T HN 0.410 nan 8.240 nan 0.000 0.513 167 P HA 0.370 nan 4.420 nan 0.000 0.281 167 P C -0.408 176.867 177.300 -0.042 0.000 1.252 167 P CA -0.533 62.532 63.100 -0.059 0.000 0.778 167 P CB 0.949 32.660 31.700 0.017 0.000 0.895 168 V N 0.622 120.499 119.914 -0.062 0.000 2.384 168 V HA 0.703 4.816 4.120 -0.011 0.000 0.287 168 V C 0.221 176.219 176.094 -0.160 0.000 1.020 168 V CA -0.446 61.810 62.300 -0.074 0.000 0.850 168 V CB 1.216 33.011 31.823 -0.047 0.000 0.987 168 V HN 0.608 nan 8.190 nan 0.000 0.436 169 S N 2.946 118.524 115.700 -0.204 0.000 2.694 169 S HA 0.752 5.216 4.470 -0.011 0.000 0.232 169 S C 0.611 175.100 174.600 -0.185 0.000 1.017 169 S CA 0.358 58.286 58.200 -0.454 0.000 1.139 169 S CB 0.300 63.159 63.200 -0.568 0.000 1.247 169 S HN 2.570 nan 8.310 nan 0.000 0.452 170 A N 2.390 125.171 122.820 -0.065 0.000 5.395 170 A HA -0.394 3.920 4.320 -0.011 0.000 0.324 170 A C 1.345 178.920 177.584 -0.015 0.000 1.813 170 A CA 1.911 53.950 52.037 0.002 0.000 0.714 170 A CB -1.845 17.200 19.000 0.076 0.000 1.374 170 A HN 0.672 nan 8.150 nan 0.000 0.390 171 Q N 0.695 120.484 119.800 -0.018 0.000 2.541 171 Q HA 0.140 4.474 4.340 -0.011 0.000 0.215 171 Q C 1.790 177.818 176.000 0.048 0.000 0.977 171 Q CA 1.421 57.254 55.803 0.050 0.000 0.934 171 Q CB -0.190 28.621 28.738 0.122 0.000 0.988 171 Q HN 1.009 nan 8.270 nan 0.000 0.521 172 S N -2.365 113.318 115.700 -0.029 0.000 2.540 172 S HA 0.172 4.636 4.470 -0.011 0.000 0.218 172 S C 1.472 176.039 174.600 -0.055 0.000 0.977 172 S CA -0.163 57.986 58.200 -0.084 0.000 0.918 172 S CB 0.324 63.458 63.200 -0.110 0.000 0.806 172 S HN 0.110 nan 8.310 nan 0.000 0.496 173 S N 2.211 117.889 115.700 -0.037 0.000 2.387 173 S HA -0.057 4.406 4.470 -0.011 0.000 0.230 173 S C 2.063 176.663 174.600 -0.001 0.000 1.035 173 S CA 1.552 59.737 58.200 -0.025 0.000 1.014 173 S CB -1.004 62.184 63.200 -0.020 0.000 0.836 173 S HN 0.759 nan 8.310 nan 0.000 0.466 174 G N 0.820 109.622 108.800 0.004 0.000 2.402 174 G HA2 -0.129 3.824 3.960 -0.011 0.000 0.216 174 G HA3 -0.129 3.824 3.960 -0.011 0.000 0.216 174 G C 1.564 176.473 174.900 0.015 0.000 1.162 174 G CA 0.977 46.086 45.100 0.015 0.000 0.777 174 G HN 0.530 nan 8.290 nan 0.000 0.539 175 S N -0.220 115.476 115.700 -0.008 0.000 2.395 175 S HA -0.012 4.451 4.470 -0.011 0.000 0.225 175 S C 2.071 176.652 174.600 -0.032 0.000 1.027 175 S CA 0.990 59.179 58.200 -0.019 0.000 0.965 175 S CB -0.055 63.106 63.200 -0.066 0.000 0.812 175 S HN 0.586 nan 8.310 nan 0.000 0.482 176 E N 1.235 121.417 120.200 -0.029 0.000 2.110 176 E HA -0.151 4.192 4.350 -0.011 0.000 0.193 176 E C 2.120 178.762 176.600 0.070 0.000 0.988 176 E CA 0.952 57.344 56.400 -0.013 0.000 0.804 176 E CB -0.186 29.534 29.700 0.034 0.000 0.745 176 E HN 0.476 nan 8.360 nan 0.000 0.458 177 A N 1.054 123.926 122.820 0.087 0.000 1.883 177 A HA -0.201 4.112 4.320 -0.011 0.000 0.217 177 A C 2.128 179.770 177.584 0.096 0.000 1.186 177 A CA 1.472 53.575 52.037 0.109 0.000 0.624 177 A CB -0.656 18.383 19.000 0.065 0.000 0.822 177 A HN 0.315 nan 8.150 nan 0.000 0.444 178 I N -0.311 120.296 120.570 0.061 0.000 2.286 178 I HA -0.274 3.890 4.170 -0.011 0.000 0.248 178 I C 2.962 179.102 176.117 0.038 0.000 1.115 178 I CA 0.924 62.263 61.300 0.064 0.000 1.392 178 I CB -0.391 37.654 38.000 0.075 0.000 1.065 178 I HN 0.368 nan 8.210 nan 0.000 0.418 179 A N 0.496 123.291 122.820 -0.042 0.000 1.865 179 A HA -0.254 4.059 4.320 -0.011 0.000 0.217 179 A C 2.221 179.785 177.584 -0.033 0.000 1.191 179 A CA 1.720 53.696 52.037 -0.101 0.000 0.623 179 A CB -0.976 17.872 19.000 -0.253 0.000 0.826 179 A HN 0.429 nan 8.150 nan 0.000 0.444 180 H N -0.638 118.471 119.070 0.064 0.000 2.457 180 H HA 0.053 4.602 4.556 -0.011 0.000 0.294 180 H C 2.489 177.840 175.328 0.037 0.000 1.064 180 H CA 1.212 57.286 56.048 0.044 0.000 1.330 180 H CB -0.373 29.397 29.762 0.013 0.000 1.395 180 H HN 0.550 nan 8.280 nan 0.000 0.541 181 A N 0.759 123.673 122.820 0.157 0.000 1.898 181 A HA -0.173 4.141 4.320 -0.011 0.000 0.216 181 A C 2.336 179.980 177.584 0.101 0.000 1.181 181 A CA 1.170 53.272 52.037 0.109 0.000 0.620 181 A CB -1.041 18.025 19.000 0.111 0.000 0.819 181 A HN 0.526 nan 8.150 nan 0.000 0.442 182 W N 0.961 122.223 121.300 -0.062 0.000 2.335 182 W HA -0.219 4.436 4.660 -0.009 0.000 0.311 182 W C 2.355 178.792 176.519 -0.137 0.000 1.213 182 W CA 2.190 59.467 57.345 -0.113 0.000 1.274 182 W CB -0.230 29.126 29.460 -0.173 0.000 1.148 182 W HN 0.264 nan 8.180 nan 0.000 0.498 183 R N -0.316 120.121 120.500 -0.105 0.000 2.080 183 R HA -0.255 4.079 4.340 -0.011 0.000 0.236 183 R C 2.216 178.361 176.300 -0.259 0.000 1.137 183 R CA 1.984 57.905 56.100 -0.298 0.000 0.943 183 R CB -0.988 29.286 30.300 -0.043 0.000 0.846 183 R HN 0.194 nan 8.270 nan 0.000 0.431 184 Q N 0.919 120.654 119.800 -0.109 0.000 2.152 184 Q HA -0.151 4.182 4.340 -0.011 0.000 0.206 184 Q C 1.781 177.705 176.000 -0.128 0.000 0.985 184 Q CA 1.669 57.422 55.803 -0.083 0.000 0.863 184 Q CB -0.088 28.634 28.738 -0.026 0.000 0.904 184 Q HN 0.404 nan 8.270 nan 0.000 0.422 185 I N -0.630 119.831 120.570 -0.181 0.000 2.277 185 I HA -0.167 3.996 4.170 -0.011 0.000 0.243 185 I C 2.081 178.043 176.117 -0.259 0.000 1.094 185 I CA 0.973 62.165 61.300 -0.181 0.000 1.393 185 I CB -0.306 37.602 38.000 -0.153 0.000 1.078 185 I HN 0.218 nan 8.210 nan 0.000 0.417 186 V N -1.748 117.863 119.914 -0.505 0.000 2.626 186 V HA -0.175 3.939 4.120 -0.011 0.000 0.252 186 V C 2.083 178.023 176.094 -0.258 0.000 1.067 186 V CA 1.376 63.366 62.300 -0.516 0.000 1.081 186 V CB -0.723 30.382 31.823 -1.196 0.000 0.686 186 V HN 0.359 nan 8.190 nan 0.000 0.468 187 M N 0.753 120.208 119.600 -0.241 0.000 2.659 187 M HA 0.293 4.766 4.480 -0.011 0.000 0.243 187 M C 1.594 177.858 176.300 -0.061 0.000 1.111 187 M CA 1.063 56.298 55.300 -0.107 0.000 1.070 187 M CB 0.071 32.614 32.600 -0.095 0.000 1.525 187 M HN 0.708 nan 8.290 nan 0.000 0.517 188 G N 0.465 109.223 108.800 -0.071 0.000 2.131 188 G HA2 -0.199 3.755 3.960 -0.011 0.000 0.223 188 G HA3 -0.199 3.755 3.960 -0.011 0.000 0.223 188 G C 0.252 175.135 174.900 -0.028 0.000 0.990 188 G CA 0.205 45.283 45.100 -0.037 0.000 0.671 188 G HN 0.483 nan 8.290 nan 0.000 0.521 189 D N 0.206 120.583 120.400 -0.039 0.000 2.354 189 D HA 0.430 5.063 4.640 -0.011 0.000 0.209 189 D C 1.202 177.496 176.300 -0.011 0.000 1.015 189 D CA 1.354 55.340 54.000 -0.024 0.000 0.867 189 D CB 0.564 41.345 40.800 -0.031 0.000 0.933 189 D HN 0.933 nan 8.370 nan 0.000 0.520 190 A N 0.122 122.933 122.820 -0.014 0.000 2.608 190 A HA 0.367 4.681 4.320 -0.011 0.000 0.292 190 A C -0.823 176.756 177.584 -0.009 0.000 1.066 190 A CA -0.599 51.442 52.037 0.008 0.000 0.676 190 A CB 1.394 20.405 19.000 0.019 0.000 1.277 190 A HN -0.217 nan 8.150 nan 0.000 0.413 191 D N -0.511 119.882 120.400 -0.011 0.000 2.449 191 D HA 0.287 4.920 4.640 -0.011 0.000 0.210 191 D C -0.226 175.945 176.300 -0.216 0.000 1.094 191 D CA 0.931 54.891 54.000 -0.066 0.000 0.846 191 D CB 1.602 42.405 40.800 0.006 0.000 1.003 191 D HN 0.504 nan 8.370 nan 0.000 0.504 192 V N -0.012 119.814 119.914 -0.147 0.000 2.969 192 V HA 0.746 4.859 4.120 -0.011 0.000 0.304 192 V C -1.981 174.204 176.094 0.152 0.000 1.192 192 V CA -0.596 61.613 62.300 -0.151 0.000 0.962 192 V CB 2.028 33.592 31.823 -0.433 0.000 1.045 192 V HN 0.049 nan 8.190 nan 0.000 0.428 193 A N 4.871 127.801 122.820 0.184 0.000 2.488 193 A HA 0.820 5.133 4.320 -0.011 0.000 0.298 193 A C -1.450 176.309 177.584 0.292 0.000 1.044 193 A CA -0.472 51.729 52.037 0.273 0.000 0.693 193 A CB 2.066 21.149 19.000 0.138 0.000 1.272 193 A HN 1.237 nan 8.150 nan 0.000 0.402 194 V N 1.657 121.788 119.914 0.363 0.000 2.407 194 V HA 0.530 4.643 4.120 -0.011 0.000 0.278 194 V C 0.087 176.263 176.094 0.137 0.000 1.037 194 V CA -0.053 62.406 62.300 0.265 0.000 0.900 194 V CB 0.411 32.423 31.823 0.314 0.000 0.983 194 V HN 1.349 nan 8.190 nan 0.000 0.459 195 C N 2.673 122.043 119.300 0.116 0.000 3.173 195 C HA 1.084 5.538 4.460 -0.011 0.000 0.310 195 C C 0.345 175.378 174.990 0.073 0.000 1.306 195 C CA -0.046 59.022 59.018 0.084 0.000 1.426 195 C CB 1.041 28.838 27.740 0.094 0.000 1.800 195 C HN 1.331 nan 8.230 nan 0.000 0.470 196 G N 0.142 108.976 108.800 0.057 0.000 2.534 196 G HA2 0.657 4.610 3.960 -0.011 0.000 0.142 196 G HA3 0.657 4.610 3.960 -0.011 0.000 0.142 196 G C -0.554 174.368 174.900 0.036 0.000 1.178 196 G CA 0.391 45.520 45.100 0.048 0.000 1.037 196 G HN 2.296 nan 8.290 nan 0.000 0.474 197 G N -1.180 107.639 108.800 0.031 0.000 2.720 197 G HA2 0.857 4.810 3.960 -0.011 0.000 0.295 197 G HA3 0.857 4.810 3.960 -0.011 0.000 0.295 197 G C -0.862 174.057 174.900 0.032 0.000 1.437 197 G CA 0.619 45.736 45.100 0.028 0.000 0.886 197 G HN 1.954 nan 8.290 nan 0.000 0.509 198 V N -1.916 118.019 119.914 0.034 0.000 3.141 198 V HA 1.034 5.148 4.120 -0.011 0.000 0.312 198 V C -0.873 175.259 176.094 0.062 0.000 1.157 198 V CA -1.161 61.168 62.300 0.049 0.000 1.041 198 V CB 2.030 33.875 31.823 0.037 0.000 1.071 198 V HN 0.992 nan 8.190 nan 0.000 0.441 199 E N -0.028 120.232 120.200 0.099 0.000 2.388 199 E HA 0.637 4.980 4.350 -0.011 0.000 0.280 199 E C -0.165 176.517 176.600 0.137 0.000 1.019 199 E CA 0.260 56.709 56.400 0.081 0.000 0.806 199 E CB 1.686 31.405 29.700 0.032 0.000 1.246 199 E HN 1.308 nan 8.360 nan 0.000 0.443 200 G N 1.897 110.720 108.800 0.039 0.000 2.651 200 G HA2 0.484 4.438 3.960 -0.011 0.000 0.260 200 G HA3 0.484 4.438 3.960 -0.011 0.000 0.260 200 G C -2.127 172.608 174.900 -0.276 0.000 1.216 200 G CA -0.808 44.209 45.100 -0.139 0.000 0.913 200 G HN 0.454 nan 8.290 nan 0.000 0.535 201 P HA 0.300 nan 4.420 nan 0.000 0.278 201 P C 0.026 177.184 177.300 -0.235 0.000 1.266 201 P CA -0.644 62.278 63.100 -0.296 0.000 0.807 201 P CB 1.105 32.593 31.700 -0.354 0.000 1.094 202 I N 1.127 121.618 120.570 -0.132 0.000 2.828 202 I HA -0.024 4.139 4.170 -0.011 0.000 0.292 202 I C 1.239 177.393 176.117 0.062 0.000 1.206 202 I CA 1.180 62.404 61.300 -0.127 0.000 1.420 202 I CB -0.216 37.782 38.000 -0.004 0.000 1.368 202 I HN 0.233 nan 8.210 nan 0.000 0.556 203 E N 3.800 123.955 120.200 -0.075 0.000 2.433 203 E HA 0.483 4.826 4.350 -0.011 0.000 0.273 203 E C 0.397 176.779 176.600 -0.363 0.000 0.950 203 E CA -0.532 55.763 56.400 -0.175 0.000 0.796 203 E CB 1.856 31.443 29.700 -0.189 0.000 1.330 203 E HN 0.495 nan 8.360 nan 0.000 0.455 204 A N 0.954 123.304 122.820 -0.783 0.000 1.877 204 A HA -0.174 4.140 4.320 -0.011 0.000 0.216 204 A C 1.862 179.138 177.584 -0.513 0.000 1.186 204 A CA 1.501 53.041 52.037 -0.828 0.000 0.620 204 A CB -0.388 17.755 19.000 -1.428 0.000 0.822 204 A HN 0.405 nan 8.150 nan 0.000 0.443 205 L N 0.283 121.233 121.223 -0.455 0.000 2.056 205 L HA 0.001 4.334 4.340 -0.011 0.000 0.207 205 L C -0.746 176.058 176.870 -0.110 0.000 1.078 205 L CA 2.020 56.681 54.840 -0.298 0.000 0.749 205 L CB -1.327 40.570 42.059 -0.270 0.000 0.901 205 L HN 0.153 nan 8.230 nan 0.000 0.433 206 P HA -0.153 nan 4.420 nan 0.000 0.215 206 P C 2.153 179.721 177.300 0.446 0.000 1.153 206 P CA 1.656 64.882 63.100 0.210 0.000 0.853 206 P CB 0.020 31.787 31.700 0.110 0.000 0.788 207 I N -0.744 120.020 120.570 0.324 0.000 2.252 207 I HA -0.231 3.932 4.170 -0.011 0.000 0.245 207 I C 2.353 178.570 176.117 0.166 0.000 1.102 207 I CA 1.332 62.841 61.300 0.347 0.000 1.385 207 I CB -0.794 37.355 38.000 0.248 0.000 1.064 207 I HN -0.097 nan 8.210 nan 0.000 0.414 208 A N 0.879 123.722 122.820 0.039 0.000 1.892 208 A HA -0.244 4.069 4.320 -0.011 0.000 0.218 208 A C 2.525 180.114 177.584 0.008 0.000 1.188 208 A CA 2.215 54.243 52.037 -0.014 0.000 0.631 208 A CB -0.896 18.034 19.000 -0.118 0.000 0.822 208 A HN 0.451 nan 8.150 nan 0.000 0.447 209 A N -1.516 121.309 122.820 0.007 0.000 1.873 209 A HA 0.076 4.389 4.320 -0.011 0.000 0.215 209 A C 1.962 179.521 177.584 -0.041 0.000 1.186 209 A CA 1.463 53.462 52.037 -0.062 0.000 0.616 209 A CB -0.693 18.215 19.000 -0.153 0.000 0.823 209 A HN 0.451 nan 8.150 nan 0.000 0.442 210 F N 1.101 121.118 119.950 0.112 0.000 2.259 210 F HA -0.114 4.406 4.527 -0.011 0.000 0.298 210 F C 2.891 178.692 175.800 0.002 0.000 1.088 210 F CA 1.563 59.642 58.000 0.130 0.000 1.358 210 F CB -0.132 38.981 39.000 0.190 0.000 1.040 210 F HN 0.347 nan 8.300 nan 0.000 0.505 211 S N -0.938 114.838 115.700 0.127 0.000 2.461 211 S HA -0.110 4.353 4.470 -0.011 0.000 0.228 211 S C 1.973 176.582 174.600 0.016 0.000 1.005 211 S CA 0.478 58.686 58.200 0.014 0.000 0.942 211 S CB -0.329 62.861 63.200 -0.017 0.000 0.776 211 S HN 0.160 nan 8.310 nan 0.000 0.514 212 M N 1.318 120.930 119.600 0.021 0.000 2.279 212 M HA 0.155 4.629 4.480 -0.011 0.000 0.264 212 M C 1.963 178.266 176.300 0.007 0.000 1.062 212 M CA 1.172 56.474 55.300 0.004 0.000 1.099 212 M CB -1.172 31.421 32.600 -0.012 0.000 1.394 212 M HN 0.445 nan 8.290 nan 0.000 0.426 213 M N -0.156 119.461 119.600 0.029 0.000 2.630 213 M HA -0.041 4.432 4.480 -0.011 0.000 0.254 213 M C 0.092 176.419 176.300 0.043 0.000 1.092 213 M CA 0.447 55.772 55.300 0.041 0.000 1.087 213 M CB -0.110 32.551 32.600 0.102 0.000 1.453 213 M HN 0.185 nan 8.290 nan 0.000 0.509 214 R N -1.516 118.998 120.500 0.024 0.000 3.758 214 R HA -0.200 4.134 4.340 -0.011 0.000 0.299 214 R C 0.731 177.033 176.300 0.002 0.000 1.182 214 R CA 0.851 56.950 56.100 -0.002 0.000 0.809 214 R CB -2.905 27.392 30.300 -0.004 0.000 1.249 214 R HN 0.556 nan 8.270 nan 0.000 0.497 215 A N 0.052 122.894 122.820 0.037 0.000 2.132 215 A HA 0.209 4.523 4.320 -0.011 0.000 0.213 215 A C 1.116 178.553 177.584 -0.244 0.000 1.154 215 A CA 0.385 52.473 52.037 0.085 0.000 0.753 215 A CB 0.209 19.473 19.000 0.440 0.000 0.826 215 A HN 0.267 nan 8.150 nan 0.000 0.469 216 M N 0.216 119.538 119.600 -0.464 0.000 2.318 216 M HA 0.298 4.771 4.480 -0.011 0.000 0.347 216 M C 0.370 176.436 176.300 -0.389 0.000 1.175 216 M CA -0.322 54.515 55.300 -0.772 0.000 1.075 216 M CB 1.551 33.665 32.600 -0.810 0.000 1.614 216 M HN 0.145 nan 8.290 nan 0.000 0.456 217 S N 0.883 116.374 115.700 -0.349 0.000 2.560 217 S HA 0.128 4.591 4.470 -0.011 0.000 0.284 217 S C 0.731 175.234 174.600 -0.161 0.000 1.327 217 S CA -0.156 57.930 58.200 -0.191 0.000 1.055 217 S CB 0.305 63.418 63.200 -0.144 0.000 0.868 217 S HN 0.813 nan 8.310 nan 0.000 0.506 218 T N 1.899 116.392 114.554 -0.102 0.000 3.266 218 T HA 0.309 4.652 4.350 -0.011 0.000 0.278 218 T C 0.348 175.020 174.700 -0.047 0.000 1.010 218 T CA -0.492 61.565 62.100 -0.070 0.000 0.909 218 T CB -0.241 68.595 68.868 -0.053 0.000 1.122 218 T HN 0.598 nan 8.240 nan 0.000 0.536 219 R N 1.680 122.151 120.500 -0.049 0.000 3.710 219 R HA 0.271 4.604 4.340 -0.011 0.000 0.201 219 R C 0.350 176.635 176.300 -0.025 0.000 1.641 219 R CA -0.043 56.038 56.100 -0.031 0.000 1.390 219 R CB -0.665 29.618 30.300 -0.028 0.000 1.341 219 R HN 0.491 nan 8.270 nan 0.000 0.728 220 N N 0.253 118.942 118.700 -0.018 0.000 2.457 220 N HA -0.088 4.646 4.740 -0.011 0.000 0.180 220 N C 0.259 175.768 175.510 -0.001 0.000 1.050 220 N CA 0.354 53.398 53.050 -0.011 0.000 0.906 220 N CB 0.345 38.831 38.487 -0.002 0.000 0.968 220 N HN 0.409 nan 8.380 nan 0.000 0.445 221 D N 0.767 121.167 120.400 -0.000 0.000 2.348 221 D HA 0.018 4.651 4.640 -0.011 0.000 0.211 221 D C -0.227 176.077 176.300 0.007 0.000 0.998 221 D CA 0.795 54.798 54.000 0.005 0.000 0.873 221 D CB 0.286 41.089 40.800 0.005 0.000 0.925 221 D HN 0.386 nan 8.370 nan 0.000 0.524 222 E N 0.485 120.687 120.200 0.003 0.000 3.132 222 E HA 0.162 4.505 4.350 -0.011 0.000 0.241 222 E C -2.102 174.500 176.600 0.003 0.000 1.196 222 E CA -1.463 54.941 56.400 0.006 0.000 0.869 222 E CB 1.851 31.555 29.700 0.006 0.000 1.387 222 E HN -0.111 nan 8.360 nan 0.000 0.393 223 P HA -0.234 nan 4.420 nan 0.000 0.215 223 P C 0.840 178.138 177.300 -0.003 0.000 1.157 223 P CA 1.351 64.447 63.100 -0.006 0.000 0.874 223 P CB 0.268 31.971 31.700 0.006 0.000 0.790 224 E N -0.642 119.566 120.200 0.014 0.000 2.338 224 E HA -0.118 4.226 4.350 -0.011 0.000 0.197 224 E C 1.680 178.289 176.600 0.016 0.000 1.007 224 E CA 0.585 56.996 56.400 0.019 0.000 0.849 224 E CB -0.340 29.378 29.700 0.031 0.000 0.774 224 E HN 0.351 nan 8.360 nan 0.000 0.506 225 R N 0.009 120.515 120.500 0.011 0.000 2.334 225 R HA 0.221 4.555 4.340 -0.011 0.000 0.216 225 R C 1.850 178.151 176.300 0.003 0.000 0.905 225 R CA 0.373 56.481 56.100 0.012 0.000 1.064 225 R CB 0.373 30.680 30.300 0.011 0.000 1.046 225 R HN 0.048 nan 8.270 nan 0.000 0.508 226 A N 0.874 123.688 122.820 -0.009 0.000 1.898 226 A HA -0.018 4.295 4.320 -0.011 0.000 0.214 226 A C 1.303 178.872 177.584 -0.026 0.000 1.183 226 A CA 0.678 52.700 52.037 -0.024 0.000 0.622 226 A CB 0.074 19.049 19.000 -0.042 0.000 0.824 226 A HN 0.161 nan 8.150 nan 0.000 0.444 227 S N 0.419 116.108 115.700 -0.020 0.000 2.422 227 S HA 0.419 4.883 4.470 -0.011 0.000 0.283 227 S C 0.079 174.675 174.600 -0.006 0.000 1.163 227 S CA -0.569 57.619 58.200 -0.021 0.000 1.054 227 S CB -0.213 62.974 63.200 -0.021 0.000 0.967 227 S HN 0.393 nan 8.310 nan 0.000 0.499 228 R N 4.592 125.087 120.500 -0.009 0.000 2.782 228 R HA 0.260 4.593 4.340 -0.011 0.000 0.293 228 R C -2.775 173.536 176.300 0.017 0.000 1.333 228 R CA -1.636 54.481 56.100 0.028 0.000 1.479 228 R CB 0.929 31.250 30.300 0.034 0.000 1.306 228 R HN 0.477 nan 8.270 nan 0.000 0.654 229 P HA -0.061 nan 4.420 nan 0.000 0.261 229 P C -0.137 177.136 177.300 -0.046 0.000 1.183 229 P CA 0.480 63.440 63.100 -0.233 0.000 0.761 229 P CB 0.212 31.718 31.700 -0.324 0.000 0.785 230 F N -0.963 119.050 119.950 0.106 0.000 2.748 230 F HA -0.243 4.277 4.527 -0.011 0.000 0.370 230 F C 0.692 176.639 175.800 0.244 0.000 0.620 230 F CA 1.127 59.230 58.000 0.173 0.000 1.233 230 F CB -2.368 36.734 39.000 0.170 0.000 1.708 230 F HN 0.271 nan 8.300 nan 0.000 0.298 231 D N 0.199 120.777 120.400 0.297 0.000 2.264 231 D HA 0.375 5.008 4.640 -0.011 0.000 0.249 231 D C 1.082 177.430 176.300 0.080 0.000 1.070 231 D CA -0.275 53.822 54.000 0.161 0.000 0.912 231 D CB 1.275 42.149 40.800 0.124 0.000 1.193 231 D HN -0.020 nan 8.370 nan 0.000 0.427 232 K N 1.113 121.530 120.400 0.028 0.000 2.209 232 K HA -0.060 4.253 4.320 -0.011 0.000 0.204 232 K C 0.275 176.883 176.600 0.012 0.000 1.048 232 K CA 1.360 57.657 56.287 0.018 0.000 0.940 232 K CB 0.114 32.610 32.500 -0.005 0.000 0.729 232 K HN 0.408 nan 8.250 nan 0.000 0.451 233 D N 0.565 120.970 120.400 0.008 0.000 2.342 233 D HA -0.009 4.625 4.640 -0.011 0.000 0.221 233 D C -0.137 176.164 176.300 0.003 0.000 1.101 233 D CA 0.002 54.004 54.000 0.003 0.000 0.837 233 D CB 0.010 40.808 40.800 -0.003 0.000 0.938 233 D HN 0.340 nan 8.370 nan 0.000 0.508 234 R N 1.601 122.107 120.500 0.009 0.000 2.811 234 R HA 0.082 4.415 4.340 -0.011 0.000 0.265 234 R C 0.032 176.325 176.300 -0.012 0.000 1.026 234 R CA 0.408 56.506 56.100 -0.003 0.000 1.142 234 R CB 0.301 30.596 30.300 -0.009 0.000 1.027 234 R HN -0.142 nan 8.270 nan 0.000 0.465 235 D N -0.243 120.142 120.400 -0.024 0.000 2.881 235 D HA 0.201 4.835 4.640 -0.011 0.000 0.325 235 D C 0.064 176.331 176.300 -0.054 0.000 1.621 235 D CA 0.162 54.142 54.000 -0.032 0.000 0.785 235 D CB 0.180 40.959 40.800 -0.036 0.000 1.233 235 D HN 0.937 nan 8.370 nan 0.000 0.447 236 G N 0.536 109.312 108.800 -0.040 0.000 2.497 236 G HA2 0.204 4.158 3.960 -0.011 0.000 0.686 236 G HA3 0.204 4.158 3.960 -0.011 0.000 0.686 236 G C -0.500 174.361 174.900 -0.065 0.000 1.288 236 G CA -0.651 44.415 45.100 -0.057 0.000 0.899 236 G HN 0.380 nan 8.290 nan 0.000 0.608 237 F N -0.709 119.182 119.950 -0.098 0.000 2.375 237 F HA 0.836 5.357 4.527 -0.010 0.000 0.313 237 F C 0.208 175.890 175.800 -0.197 0.000 1.176 237 F CA -1.313 56.610 58.000 -0.129 0.000 1.142 237 F CB 1.235 40.193 39.000 -0.070 0.000 1.275 237 F HN 0.465 nan 8.300 nan 0.000 0.544 238 V N 2.607 122.568 119.914 0.078 0.000 2.531 238 V HA 0.251 4.364 4.120 -0.011 0.000 0.301 238 V C -0.674 175.508 176.094 0.147 0.000 1.034 238 V CA -0.826 61.445 62.300 -0.048 0.000 0.865 238 V CB 1.288 33.087 31.823 -0.039 0.000 0.995 238 V HN 0.620 nan 8.190 nan 0.000 0.424 239 F N 3.049 123.056 119.950 0.094 0.000 2.602 239 F HA 0.461 4.981 4.527 -0.011 0.000 0.385 239 F C 1.135 176.925 175.800 -0.017 0.000 1.063 239 F CA 0.106 58.136 58.000 0.051 0.000 1.233 239 F CB 0.505 39.493 39.000 -0.019 0.000 1.067 239 F HN 0.519 nan 8.300 nan 0.000 0.564 240 G N 4.164 113.099 108.800 0.226 0.000 2.730 240 G HA2 0.424 4.377 3.960 -0.011 0.000 0.291 240 G HA3 0.424 4.377 3.960 -0.011 0.000 0.291 240 G C -0.928 174.026 174.900 0.090 0.000 1.456 240 G CA -0.730 44.431 45.100 0.103 0.000 0.996 240 G HN 0.539 nan 8.290 nan 0.000 0.528 241 E N 0.424 120.665 120.200 0.067 0.000 2.398 241 E HA 0.506 4.849 4.350 -0.011 0.000 0.263 241 E C 0.353 177.005 176.600 0.087 0.000 1.046 241 E CA 0.380 56.821 56.400 0.068 0.000 0.908 241 E CB 1.402 31.160 29.700 0.098 0.000 0.963 241 E HN 0.732 nan 8.360 nan 0.000 0.431 242 A N 1.380 124.251 122.820 0.085 0.000 2.566 242 A HA 0.774 5.088 4.320 -0.011 0.000 0.290 242 A C -0.960 176.673 177.584 0.082 0.000 1.071 242 A CA -0.160 51.926 52.037 0.082 0.000 0.658 242 A CB 1.913 20.951 19.000 0.063 0.000 1.285 242 A HN 0.624 nan 8.150 nan 0.000 0.427 243 G N -1.181 107.660 108.800 0.068 0.000 2.742 243 G HA2 0.899 4.853 3.960 -0.011 0.000 0.296 243 G HA3 0.899 4.853 3.960 -0.011 0.000 0.296 243 G C -0.919 174.004 174.900 0.038 0.000 1.436 243 G CA 0.404 45.536 45.100 0.054 0.000 0.928 243 G HN 2.189 nan 8.290 nan 0.000 0.520 244 A N 1.013 123.851 122.820 0.030 0.000 2.547 244 A HA 0.848 5.162 4.320 -0.011 0.000 0.297 244 A C -1.308 176.291 177.584 0.026 0.000 1.056 244 A CA -0.499 51.551 52.037 0.022 0.000 0.688 244 A CB 1.267 20.275 19.000 0.014 0.000 1.282 244 A HN 0.863 nan 8.150 nan 0.000 0.400 245 L N 1.964 123.204 121.223 0.027 0.000 2.350 245 L HA 0.824 5.158 4.340 -0.011 0.000 0.260 245 L C -0.272 176.623 176.870 0.041 0.000 1.015 245 L CA -0.784 54.082 54.840 0.043 0.000 0.821 245 L CB 2.362 44.456 42.059 0.058 0.000 1.370 245 L HN 0.977 nan 8.230 nan 0.000 0.416 246 M N 1.372 121.008 119.600 0.060 0.000 2.572 246 M HA 0.621 5.095 4.480 -0.011 0.000 0.299 246 M C -1.672 174.682 176.300 0.091 0.000 1.205 246 M CA -0.846 54.488 55.300 0.056 0.000 0.876 246 M CB 2.603 35.230 32.600 0.045 0.000 1.728 246 M HN 0.320 nan 8.290 nan 0.000 0.458 247 L N 4.063 125.328 121.223 0.070 0.000 2.272 247 L HA 0.719 5.052 4.340 -0.011 0.000 0.289 247 L C -0.906 175.995 176.870 0.052 0.000 1.032 247 L CA -0.518 54.370 54.840 0.080 0.000 0.810 247 L CB 1.080 43.158 42.059 0.032 0.000 1.205 247 L HN 0.808 nan 8.230 nan 0.000 0.422 248 I N 2.435 123.050 120.570 0.074 0.000 2.693 248 I HA 0.868 5.032 4.170 -0.011 0.000 0.303 248 I C -1.083 175.046 176.117 0.020 0.000 1.025 248 I CA -0.392 60.946 61.300 0.063 0.000 1.086 248 I CB 2.179 40.246 38.000 0.112 0.000 1.268 248 I HN 0.811 nan 8.210 nan 0.000 0.440 249 E N 2.013 122.214 120.200 0.002 0.000 2.409 249 E HA 0.252 4.596 4.350 -0.011 0.000 0.280 249 E C -1.211 175.392 176.600 0.005 0.000 1.079 249 E CA -0.946 55.416 56.400 -0.063 0.000 0.840 249 E CB 1.234 30.836 29.700 -0.163 0.000 1.309 249 E HN 0.783 nan 8.360 nan 0.000 0.447 250 T N -1.572 112.990 114.554 0.013 0.000 2.903 250 T HA 0.014 4.358 4.350 -0.011 0.000 0.314 250 T C 0.993 175.749 174.700 0.092 0.000 1.078 250 T CA 0.309 62.448 62.100 0.066 0.000 1.114 250 T CB 1.220 70.132 68.868 0.073 0.000 0.987 250 T HN 0.682 nan 8.240 nan 0.000 0.548 251 E N 0.495 120.751 120.200 0.093 0.000 2.118 251 E HA -0.228 4.115 4.350 -0.011 0.000 0.195 251 E C 1.990 178.640 176.600 0.084 0.000 0.992 251 E CA 1.396 57.850 56.400 0.090 0.000 0.804 251 E CB -0.023 29.752 29.700 0.124 0.000 0.741 251 E HN 0.900 nan 8.360 nan 0.000 0.458 252 E N 0.080 120.332 120.200 0.087 0.000 2.031 252 E HA -0.270 4.074 4.350 -0.011 0.000 0.193 252 E C 2.174 178.814 176.600 0.066 0.000 0.994 252 E CA 1.129 57.570 56.400 0.069 0.000 0.800 252 E CB -0.303 29.437 29.700 0.066 0.000 0.752 252 E HN 0.408 nan 8.360 nan 0.000 0.447 253 H N 0.249 119.321 119.070 0.003 0.000 2.319 253 H HA -0.173 4.376 4.556 -0.012 0.000 0.297 253 H C 1.879 177.188 175.328 -0.032 0.000 1.097 253 H CA 2.073 58.114 56.048 -0.012 0.000 1.285 253 H CB -0.150 29.606 29.762 -0.010 0.000 1.368 253 H HN 0.287 nan 8.280 nan 0.000 0.495 254 A N 1.503 124.402 122.820 0.132 0.000 1.883 254 A HA -0.167 4.146 4.320 -0.011 0.000 0.217 254 A C 2.492 180.062 177.584 -0.023 0.000 1.186 254 A CA 1.685 53.744 52.037 0.036 0.000 0.624 254 A CB -0.485 18.512 19.000 -0.005 0.000 0.822 254 A HN 0.281 nan 8.150 nan 0.000 0.444 255 K N -0.171 120.227 120.400 -0.004 0.000 2.063 255 K HA -0.111 4.202 4.320 -0.011 0.000 0.208 255 K C 2.187 178.765 176.600 -0.036 0.000 1.048 255 K CA 1.421 57.705 56.287 -0.004 0.000 0.928 255 K CB -0.509 32.005 32.500 0.024 0.000 0.713 255 K HN 0.402 nan 8.250 nan 0.000 0.442 256 A N 1.782 124.563 122.820 -0.066 0.000 1.972 256 A HA -0.182 4.132 4.320 -0.011 0.000 0.219 256 A C 1.856 179.369 177.584 -0.119 0.000 1.169 256 A CA 1.691 53.670 52.037 -0.097 0.000 0.635 256 A CB -0.346 18.571 19.000 -0.138 0.000 0.810 256 A HN 0.519 nan 8.150 nan 0.000 0.446 257 R N -1.889 118.527 120.500 -0.141 0.000 2.468 257 R HA 0.397 4.730 4.340 -0.011 0.000 0.280 257 R C 0.966 177.209 176.300 -0.096 0.000 0.963 257 R CA 0.625 56.645 56.100 -0.133 0.000 1.083 257 R CB -0.473 29.721 30.300 -0.177 0.000 1.200 257 R HN 0.695 nan 8.270 nan 0.000 0.541 258 G N 0.461 109.218 108.800 -0.072 0.000 2.153 258 G HA2 -0.341 3.613 3.960 -0.011 0.000 0.252 258 G HA3 -0.341 3.613 3.960 -0.011 0.000 0.252 258 G C 0.257 175.121 174.900 -0.061 0.000 0.994 258 G CA 0.102 45.170 45.100 -0.055 0.000 0.698 258 G HN 0.682 nan 8.290 nan 0.000 0.521 259 A N -0.317 122.459 122.820 -0.074 0.000 2.409 259 A HA 0.659 4.972 4.320 -0.011 0.000 0.262 259 A C 0.497 178.025 177.584 -0.092 0.000 1.113 259 A CA 0.456 52.440 52.037 -0.088 0.000 0.790 259 A CB 0.574 19.517 19.000 -0.095 0.000 1.046 259 A HN 0.634 nan 8.150 nan 0.000 0.496 260 K N 3.678 124.022 120.400 -0.092 0.000 2.248 260 K HA 0.490 4.803 4.320 -0.011 0.000 0.281 260 K C -2.770 173.717 176.600 -0.188 0.000 1.054 260 K CA -1.932 54.292 56.287 -0.105 0.000 0.903 260 K CB 0.566 33.041 32.500 -0.040 0.000 1.077 260 K HN 0.362 nan 8.250 nan 0.000 0.474 261 P HA 0.088 nan 4.420 nan 0.000 0.275 261 P C -0.049 177.082 177.300 -0.282 0.000 1.227 261 P CA -0.209 62.610 63.100 -0.468 0.000 0.781 261 P CB 0.668 31.735 31.700 -1.054 0.000 0.906 262 L N 0.515 121.644 121.223 -0.157 0.000 2.477 262 L HA 0.500 4.834 4.340 -0.011 0.000 0.220 262 L C 0.921 177.778 176.870 -0.022 0.000 1.106 262 L CA 0.294 55.087 54.840 -0.078 0.000 0.851 262 L CB -0.349 41.648 42.059 -0.104 0.000 0.994 262 L HN 0.372 nan 8.230 nan 0.000 0.462 263 A N 0.198 123.015 122.820 -0.006 0.000 2.566 263 A HA 0.678 4.992 4.320 -0.011 0.000 0.290 263 A C -1.196 176.473 177.584 0.142 0.000 1.071 263 A CA -0.753 51.342 52.037 0.097 0.000 0.658 263 A CB 1.135 20.176 19.000 0.068 0.000 1.285 263 A HN 0.078 nan 8.150 nan 0.000 0.427 264 R N -0.369 120.264 120.500 0.223 0.000 2.474 264 R HA 0.610 4.943 4.340 -0.011 0.000 0.295 264 R C -1.220 175.209 176.300 0.215 0.000 0.980 264 R CA -0.737 55.492 56.100 0.215 0.000 0.934 264 R CB 1.702 32.142 30.300 0.233 0.000 1.101 264 R HN 0.496 nan 8.270 nan 0.000 0.469 265 L N 4.419 125.715 121.223 0.122 0.000 2.277 265 L HA 0.278 4.611 4.340 -0.011 0.000 0.284 265 L C -0.222 176.530 176.870 -0.196 0.000 1.028 265 L CA 0.207 54.959 54.840 -0.146 0.000 0.835 265 L CB 0.967 42.958 42.059 -0.112 0.000 1.215 265 L HN 0.751 nan 8.230 nan 0.000 0.425 266 L N 4.432 125.453 121.223 -0.337 0.000 2.556 266 L HA 0.578 4.911 4.340 -0.011 0.000 0.226 266 L C 0.915 177.474 176.870 -0.518 0.000 1.089 266 L CA 0.365 55.085 54.840 -0.199 0.000 0.864 266 L CB 0.008 42.040 42.059 -0.045 0.000 1.067 266 L HN 0.782 nan 8.230 nan 0.000 0.477 267 G N -0.298 107.853 108.800 -1.082 0.000 2.411 267 G HA2 0.611 4.564 3.960 -0.011 0.000 0.295 267 G HA3 0.611 4.564 3.960 -0.011 0.000 0.295 267 G C -2.177 172.041 174.900 -1.138 0.000 1.542 267 G CA 0.066 44.337 45.100 -1.382 0.000 0.814 267 G HN 0.024 nan 8.290 nan 0.000 0.557 268 A N -0.720 121.533 122.820 -0.944 0.000 2.486 268 A HA 0.973 5.286 4.320 -0.011 0.000 0.300 268 A C -0.033 177.396 177.584 -0.258 0.000 1.048 268 A CA 0.008 51.740 52.037 -0.508 0.000 0.696 268 A CB 1.949 20.700 19.000 -0.415 0.000 1.278 268 A HN 2.138 nan 8.150 nan 0.000 0.405 269 G N 0.474 109.164 108.800 -0.184 0.000 2.513 269 G HA2 0.634 4.587 3.960 -0.011 0.000 0.317 269 G HA3 0.634 4.587 3.960 -0.011 0.000 0.317 269 G C -1.103 173.753 174.900 -0.073 0.000 1.277 269 G CA -0.467 44.576 45.100 -0.094 0.000 0.955 269 G HN 0.665 nan 8.290 nan 0.000 0.484 270 I N 1.819 122.369 120.570 -0.034 0.000 2.478 270 I HA 0.497 4.660 4.170 -0.011 0.000 0.287 270 I C 0.218 176.357 176.117 0.037 0.000 1.042 270 I CA -0.589 60.708 61.300 -0.005 0.000 1.067 270 I CB 2.599 40.587 38.000 -0.020 0.000 1.233 270 I HN 0.706 nan 8.210 nan 0.000 0.431 271 T N 1.472 116.064 114.554 0.062 0.000 2.716 271 T HA 0.812 5.155 4.350 -0.011 0.000 0.286 271 T C -0.516 174.235 174.700 0.085 0.000 1.052 271 T CA -0.735 61.405 62.100 0.067 0.000 1.024 271 T CB 1.983 70.885 68.868 0.056 0.000 1.349 271 T HN 0.541 nan 8.240 nan 0.000 0.525 272 S N -0.665 115.071 115.700 0.060 0.000 2.588 272 S HA 0.550 5.013 4.470 -0.011 0.000 0.275 272 S C -0.436 174.180 174.600 0.028 0.000 1.130 272 S CA -0.789 57.431 58.200 0.034 0.000 0.855 272 S CB 1.861 65.066 63.200 0.008 0.000 1.116 272 S HN 0.628 nan 8.310 nan 0.000 0.472 273 D N 1.192 121.606 120.400 0.023 0.000 2.213 273 D HA 0.239 4.872 4.640 -0.011 0.000 0.205 273 D C 1.242 177.591 176.300 0.083 0.000 0.961 273 D CA 1.374 55.404 54.000 0.051 0.000 0.853 273 D CB -0.510 40.340 40.800 0.084 0.000 0.967 273 D HN 1.113 nan 8.370 nan 0.000 0.496 274 A N -0.189 122.666 122.820 0.057 0.000 2.364 274 A HA -0.248 4.066 4.320 -0.011 0.000 0.288 274 A C 0.509 178.175 177.584 0.136 0.000 1.433 274 A CA 0.938 53.009 52.037 0.057 0.000 0.757 274 A CB -1.982 17.041 19.000 0.038 0.000 1.098 274 A HN 0.381 nan 8.150 nan 0.000 0.380 275 F N -0.352 119.587 119.950 -0.018 0.000 2.102 275 F HA 0.423 4.943 4.527 -0.011 0.000 0.245 275 F C 0.789 176.621 175.800 0.054 0.000 1.049 275 F CA 1.040 59.048 58.000 0.014 0.000 1.227 275 F CB 0.438 39.449 39.000 0.019 0.000 1.527 275 F HN 0.565 nan 8.300 nan 0.000 0.624 276 H N 0.656 119.605 119.070 -0.202 0.000 2.928 276 H HA 0.348 4.898 4.556 -0.011 0.000 0.371 276 H C 0.611 175.883 175.328 -0.094 0.000 1.186 276 H CA -0.499 55.368 56.048 -0.301 0.000 1.134 276 H CB 2.206 31.724 29.762 -0.406 0.000 1.824 276 H HN 0.149 nan 8.280 nan 0.000 0.554 277 M N 2.269 121.602 119.600 -0.444 0.000 2.175 277 M HA -0.077 4.396 4.480 -0.011 0.000 0.264 277 M C 1.512 177.759 176.300 -0.088 0.000 1.063 277 M CA 1.276 56.446 55.300 -0.216 0.000 1.119 277 M CB -0.285 32.136 32.600 -0.299 0.000 1.377 277 M HN 0.471 nan 8.290 nan 0.000 0.415 278 V N -3.556 116.385 119.914 0.044 0.000 3.166 278 V HA 0.684 4.797 4.120 -0.011 0.000 0.332 278 V C 0.082 176.153 176.094 -0.039 0.000 1.434 278 V CA -0.307 61.807 62.300 -0.310 0.000 1.121 278 V CB -0.375 31.055 31.823 -0.655 0.000 1.062 278 V HN 0.137 nan 8.190 nan 0.000 0.489 279 A N 1.694 124.620 122.820 0.176 0.000 2.374 279 A HA 0.956 5.269 4.320 -0.011 0.000 0.305 279 A C -3.068 174.680 177.584 0.273 0.000 1.053 279 A CA -1.687 50.458 52.037 0.180 0.000 0.726 279 A CB 1.590 20.648 19.000 0.097 0.000 1.229 279 A HN 0.227 nan 8.150 nan 0.000 0.431 280 P HA 0.384 nan 4.420 nan 0.000 0.274 280 P C 0.026 177.255 177.300 -0.118 0.000 1.237 280 P CA -0.062 63.059 63.100 0.036 0.000 0.793 280 P CB 0.916 32.565 31.700 -0.085 0.000 0.977 281 A N 1.976 124.626 122.820 -0.284 0.000 2.524 281 A HA 0.321 4.635 4.320 -0.011 0.000 0.250 281 A C 1.667 178.984 177.584 -0.445 0.000 1.078 281 A CA 0.367 51.997 52.037 -0.678 0.000 0.761 281 A CB -0.516 18.203 19.000 -0.468 0.000 1.012 281 A HN 0.606 nan 8.150 nan 0.000 0.500 282 A N 2.509 125.042 122.820 -0.478 0.000 1.972 282 A HA -0.132 4.182 4.320 -0.011 0.000 0.219 282 A C 1.642 179.113 177.584 -0.188 0.000 1.169 282 A CA 1.856 53.740 52.037 -0.254 0.000 0.635 282 A CB -0.478 18.404 19.000 -0.196 0.000 0.810 282 A HN 0.928 nan 8.150 nan 0.000 0.446 283 D N -1.106 119.171 120.400 -0.205 0.000 2.310 283 D HA 0.105 4.739 4.640 -0.011 0.000 0.212 283 D C 1.316 177.548 176.300 -0.113 0.000 0.965 283 D CA 1.077 54.998 54.000 -0.132 0.000 0.879 283 D CB -1.063 39.668 40.800 -0.115 0.000 0.921 283 D HN 0.845 nan 8.370 nan 0.000 0.510 284 G N -0.118 108.594 108.800 -0.146 0.000 2.233 284 G HA2 -0.323 3.631 3.960 -0.011 0.000 0.270 284 G HA3 -0.323 3.631 3.960 -0.011 0.000 0.270 284 G C 1.046 175.898 174.900 -0.080 0.000 1.011 284 G CA 0.653 45.676 45.100 -0.127 0.000 0.762 284 G HN 0.381 nan 8.290 nan 0.000 0.511 285 V N 0.091 119.961 119.914 -0.073 0.000 2.323 285 V HA -0.103 4.010 4.120 -0.011 0.000 0.244 285 V C 2.870 178.952 176.094 -0.020 0.000 1.041 285 V CA 2.219 64.496 62.300 -0.040 0.000 1.025 285 V CB -0.380 31.421 31.823 -0.036 0.000 0.656 285 V HN 0.428 nan 8.190 nan 0.000 0.451 286 R N 0.540 121.026 120.500 -0.023 0.000 2.115 286 R HA 0.076 4.409 4.340 -0.011 0.000 0.226 286 R C 2.313 178.631 176.300 0.031 0.000 1.100 286 R CA 1.367 57.470 56.100 0.005 0.000 0.980 286 R CB -1.239 29.066 30.300 0.009 0.000 0.875 286 R HN 0.525 nan 8.270 nan 0.000 0.445 287 A N 0.616 123.444 122.820 0.014 0.000 1.898 287 A HA -0.030 4.284 4.320 -0.011 0.000 0.216 287 A C 2.410 180.063 177.584 0.115 0.000 1.181 287 A CA 1.722 53.816 52.037 0.095 0.000 0.620 287 A CB -1.038 17.913 19.000 -0.082 0.000 0.819 287 A HN 0.386 nan 8.150 nan 0.000 0.442 288 G N -0.454 108.375 108.800 0.048 0.000 2.422 288 G HA2 -0.241 3.713 3.960 -0.011 0.000 0.218 288 G HA3 -0.241 3.713 3.960 -0.011 0.000 0.218 288 G C 1.674 176.594 174.900 0.033 0.000 1.146 288 G CA 1.226 46.352 45.100 0.042 0.000 0.769 288 G HN 0.533 nan 8.290 nan 0.000 0.547 289 R N 1.240 121.756 120.500 0.027 0.000 2.096 289 R HA 0.095 4.429 4.340 -0.011 0.000 0.235 289 R C 2.676 178.989 176.300 0.022 0.000 1.127 289 R CA 1.818 57.931 56.100 0.021 0.000 0.968 289 R CB -0.829 29.483 30.300 0.020 0.000 0.861 289 R HN 0.224 nan 8.270 nan 0.000 0.440 290 A N 0.514 123.358 122.820 0.039 0.000 1.883 290 A HA -0.188 4.125 4.320 -0.011 0.000 0.217 290 A C 2.257 179.837 177.584 -0.005 0.000 1.186 290 A CA 1.950 54.002 52.037 0.025 0.000 0.624 290 A CB -0.532 18.503 19.000 0.057 0.000 0.822 290 A HN 0.440 nan 8.150 nan 0.000 0.444 291 M N -0.842 118.765 119.600 0.013 0.000 2.086 291 M HA -0.141 4.333 4.480 -0.011 0.000 0.261 291 M C 2.260 178.544 176.300 -0.026 0.000 1.067 291 M CA 2.086 57.378 55.300 -0.012 0.000 1.116 291 M CB -1.055 31.554 32.600 0.014 0.000 1.348 291 M HN 0.418 nan 8.290 nan 0.000 0.407 292 T N -0.045 114.503 114.554 -0.010 0.000 2.720 292 T HA -0.191 4.153 4.350 -0.011 0.000 0.268 292 T C 1.809 176.497 174.700 -0.020 0.000 1.037 292 T CA 1.727 63.819 62.100 -0.014 0.000 1.144 292 T CB -0.364 68.502 68.868 -0.003 0.000 0.864 292 T HN 0.235 nan 8.240 nan 0.000 0.444 293 R N 1.873 122.363 120.500 -0.017 0.000 2.081 293 R HA -0.086 4.247 4.340 -0.011 0.000 0.235 293 R C 2.614 178.885 176.300 -0.048 0.000 1.131 293 R CA 2.153 58.245 56.100 -0.014 0.000 0.960 293 R CB -0.942 29.355 30.300 -0.005 0.000 0.856 293 R HN 0.500 nan 8.270 nan 0.000 0.436 294 S N 0.245 115.888 115.700 -0.096 0.000 2.368 294 S HA -0.136 4.327 4.470 -0.011 0.000 0.225 294 S C 2.080 176.590 174.600 -0.150 0.000 1.030 294 S CA 1.447 59.540 58.200 -0.178 0.000 0.999 294 S CB -0.649 62.420 63.200 -0.218 0.000 0.844 294 S HN 0.384 nan 8.310 nan 0.000 0.459 295 L N 1.123 122.287 121.223 -0.098 0.000 2.017 295 L HA -0.096 4.238 4.340 -0.011 0.000 0.208 295 L C 2.975 179.815 176.870 -0.050 0.000 1.073 295 L CA 1.856 56.647 54.840 -0.083 0.000 0.745 295 L CB -0.905 41.114 42.059 -0.067 0.000 0.894 295 L HN 0.385 nan 8.230 nan 0.000 0.432 296 E N 0.568 120.756 120.200 -0.020 0.000 2.049 296 E HA -0.242 4.102 4.350 -0.011 0.000 0.198 296 E C 2.328 178.969 176.600 0.068 0.000 1.007 296 E CA 1.337 57.747 56.400 0.017 0.000 0.809 296 E CB -0.229 29.489 29.700 0.030 0.000 0.749 296 E HN 0.435 nan 8.360 nan 0.000 0.450 297 L N 0.135 121.414 121.223 0.093 0.000 2.201 297 L HA -0.114 4.219 4.340 -0.011 0.000 0.212 297 L C 2.386 179.403 176.870 0.246 0.000 1.105 297 L CA 0.717 55.713 54.840 0.260 0.000 0.775 297 L CB -0.262 41.927 42.059 0.216 0.000 0.913 297 L HN 0.149 nan 8.230 nan 0.000 0.440 298 A N -0.450 122.397 122.820 0.045 0.000 2.021 298 A HA 0.216 4.530 4.320 -0.011 0.000 0.216 298 A C 1.759 179.360 177.584 0.028 0.000 1.163 298 A CA 0.859 52.904 52.037 0.012 0.000 0.676 298 A CB -0.372 18.566 19.000 -0.103 0.000 0.818 298 A HN 0.476 nan 8.150 nan 0.000 0.453 299 G N -1.164 107.643 108.800 0.011 0.000 2.182 299 G HA2 -0.181 3.772 3.960 -0.011 0.000 0.248 299 G HA3 -0.181 3.772 3.960 -0.011 0.000 0.248 299 G C -0.099 174.748 174.900 -0.087 0.000 1.042 299 G CA 0.389 45.479 45.100 -0.017 0.000 0.775 299 G HN 0.446 nan 8.290 nan 0.000 0.501 300 L N 0.551 121.700 121.223 -0.124 0.000 2.334 300 L HA 0.779 5.112 4.340 -0.011 0.000 0.270 300 L C 0.979 177.777 176.870 -0.120 0.000 1.018 300 L CA -0.480 54.241 54.840 -0.198 0.000 0.811 300 L CB 1.965 43.855 42.059 -0.281 0.000 1.271 300 L HN 0.403 nan 8.230 nan 0.000 0.443 301 S N 0.025 115.658 115.700 -0.112 0.000 2.638 301 S HA 0.488 4.951 4.470 -0.011 0.000 0.298 301 S C -2.196 172.373 174.600 -0.051 0.000 1.111 301 S CA -1.409 56.754 58.200 -0.062 0.000 1.027 301 S CB 1.762 64.937 63.200 -0.041 0.000 1.064 301 S HN 0.342 nan 8.310 nan 0.000 0.525 302 P HA -0.062 nan 4.420 nan 0.000 0.218 302 P C 1.339 178.642 177.300 0.005 0.000 1.146 302 P CA 1.794 64.888 63.100 -0.010 0.000 0.813 302 P CB -0.218 31.480 31.700 -0.004 0.000 0.778 303 A N -0.509 122.314 122.820 0.004 0.000 2.121 303 A HA -0.153 4.161 4.320 -0.011 0.000 0.218 303 A C 1.757 179.368 177.584 0.044 0.000 1.154 303 A CA 1.467 53.518 52.037 0.023 0.000 0.679 303 A CB -0.945 18.066 19.000 0.018 0.000 0.795 303 A HN 0.093 nan 8.150 nan 0.000 0.458 304 D N -0.229 120.183 120.400 0.021 0.000 2.317 304 D HA 0.029 4.662 4.640 -0.011 0.000 0.211 304 D C 0.186 176.594 176.300 0.180 0.000 0.966 304 D CA 0.395 54.432 54.000 0.060 0.000 0.876 304 D CB 0.037 40.736 40.800 -0.169 0.000 0.927 304 D HN 0.228 nan 8.370 nan 0.000 0.519 305 I N 2.135 122.775 120.570 0.117 0.000 2.322 305 I HA 0.031 4.195 4.170 -0.011 0.000 0.292 305 I C 0.932 177.145 176.117 0.161 0.000 1.060 305 I CA -0.199 61.191 61.300 0.150 0.000 1.309 305 I CB 0.938 38.983 38.000 0.074 0.000 1.415 305 I HN -0.210 nan 8.210 nan 0.000 0.492 306 D N 3.585 124.122 120.400 0.228 0.000 2.366 306 D HA -0.005 4.628 4.640 -0.011 0.000 0.205 306 D C 0.401 176.859 176.300 0.263 0.000 1.022 306 D CA 0.839 54.994 54.000 0.258 0.000 0.868 306 D CB 0.482 41.491 40.800 0.347 0.000 0.953 306 D HN 0.565 nan 8.370 nan 0.000 0.514 307 H N -0.417 118.692 119.070 0.066 0.000 2.954 307 H HA 0.436 4.985 4.556 -0.011 0.000 0.361 307 H C -1.807 173.521 175.328 0.001 0.000 1.122 307 H CA -0.643 55.376 56.048 -0.047 0.000 1.217 307 H CB 1.388 31.020 29.762 -0.217 0.000 1.776 307 H HN -0.359 nan 8.280 nan 0.000 0.533 308 V N 5.238 124.888 119.914 -0.439 0.000 2.444 308 V HA 0.256 4.369 4.120 -0.011 0.000 0.294 308 V C -0.082 175.677 176.094 -0.558 0.000 1.022 308 V CA -1.042 61.006 62.300 -0.420 0.000 0.850 308 V CB 1.427 33.166 31.823 -0.140 0.000 0.992 308 V HN 0.826 nan 8.190 nan 0.000 0.426 309 N N 3.970 122.367 118.700 -0.504 0.000 2.415 309 N HA 0.388 5.121 4.740 -0.011 0.000 0.246 309 N C -0.085 175.378 175.510 -0.079 0.000 1.078 309 N CA -0.114 52.827 53.050 -0.182 0.000 0.942 309 N CB 1.701 40.156 38.487 -0.053 0.000 1.140 309 N HN 0.828 nan 8.380 nan 0.000 0.501 310 A N 3.151 125.965 122.820 -0.010 0.000 2.363 310 A HA 0.135 4.449 4.320 -0.011 0.000 0.270 310 A C 1.154 178.767 177.584 0.048 0.000 1.121 310 A CA -0.314 51.784 52.037 0.101 0.000 0.800 310 A CB 0.290 19.466 19.000 0.293 0.000 1.052 310 A HN 0.918 nan 8.150 nan 0.000 0.493 311 H N 2.658 121.725 119.070 -0.005 0.000 2.319 311 H HA -0.022 4.528 4.556 -0.011 0.000 0.297 311 H C 1.594 176.860 175.328 -0.104 0.000 1.097 311 H CA 1.934 57.938 56.048 -0.075 0.000 1.285 311 H CB -0.354 29.413 29.762 0.009 0.000 1.368 311 H HN 1.248 nan 8.280 nan 0.000 0.495 312 G N 0.333 109.090 108.800 -0.072 0.000 2.247 312 G HA2 -0.311 3.643 3.960 -0.011 0.000 0.265 312 G HA3 -0.311 3.643 3.960 -0.011 0.000 0.265 312 G C 1.065 175.726 174.900 -0.398 0.000 0.861 312 G CA 0.935 45.831 45.100 -0.340 0.000 1.289 312 G HN 0.790 nan 8.290 nan 0.000 0.403 313 T N -1.745 112.613 114.554 -0.327 0.000 3.067 313 T HA 0.413 4.756 4.350 -0.011 0.000 0.261 313 T C 1.977 176.617 174.700 -0.100 0.000 1.110 313 T CA 1.558 63.511 62.100 -0.246 0.000 1.113 313 T CB 0.029 68.843 68.868 -0.089 0.000 0.917 313 T HN 2.382 nan 8.240 nan 0.000 0.499 314 A N 0.839 123.557 122.820 -0.169 0.000 3.201 314 A HA -0.140 4.174 4.320 -0.011 0.000 0.260 314 A C 0.847 178.410 177.584 -0.035 0.000 1.222 314 A CA 0.993 52.961 52.037 -0.116 0.000 1.124 314 A CB -2.994 15.963 19.000 -0.072 0.000 1.155 314 A HN 1.371 nan 8.150 nan 0.000 0.924 315 T N -2.355 112.209 114.554 0.016 0.000 2.901 315 T HA 0.480 4.824 4.350 -0.011 0.000 0.301 315 T C -1.006 173.701 174.700 0.012 0.000 1.012 315 T CA -0.750 61.381 62.100 0.052 0.000 1.135 315 T CB 0.999 69.948 68.868 0.136 0.000 0.936 315 T HN 0.109 nan 8.240 nan 0.000 0.539 316 P HA -0.088 nan 4.420 nan 0.000 0.215 316 P C 1.693 179.003 177.300 0.016 0.000 1.153 316 P CA 1.019 64.126 63.100 0.012 0.000 0.853 316 P CB -0.148 31.560 31.700 0.014 0.000 0.788 317 I N -4.296 116.290 120.570 0.026 0.000 2.716 317 I HA 0.111 4.274 4.170 -0.011 0.000 0.259 317 I C 2.090 178.216 176.117 0.015 0.000 1.172 317 I CA 1.449 62.760 61.300 0.019 0.000 1.478 317 I CB -1.289 36.726 38.000 0.024 0.000 1.104 317 I HN -0.173 nan 8.210 nan 0.000 0.439 318 G N 1.411 110.232 108.800 0.034 0.000 2.404 318 G HA2 -0.200 3.754 3.960 -0.011 0.000 0.215 318 G HA3 -0.200 3.754 3.960 -0.011 0.000 0.215 318 G C 1.120 176.015 174.900 -0.008 0.000 1.174 318 G CA 1.044 46.163 45.100 0.032 0.000 0.780 318 G HN 0.356 nan 8.290 nan 0.000 0.537 319 D N 0.983 121.351 120.400 -0.053 0.000 2.144 319 D HA 0.029 4.662 4.640 -0.011 0.000 0.200 319 D C 2.783 179.154 176.300 0.118 0.000 0.978 319 D CA 1.094 55.036 54.000 -0.096 0.000 0.833 319 D CB -0.426 40.180 40.800 -0.323 0.000 0.961 319 D HN 0.290 nan 8.370 nan 0.000 0.470 320 A N 1.062 123.925 122.820 0.072 0.000 1.877 320 A HA -0.064 4.249 4.320 -0.011 0.000 0.216 320 A C 2.309 179.914 177.584 0.035 0.000 1.186 320 A CA 2.261 54.343 52.037 0.075 0.000 0.620 320 A CB -0.799 18.223 19.000 0.037 0.000 0.822 320 A HN 0.233 nan 8.150 nan 0.000 0.443 321 A N -0.492 122.316 122.820 -0.020 0.000 1.902 321 A HA -0.190 4.124 4.320 -0.011 0.000 0.217 321 A C 2.043 179.575 177.584 -0.087 0.000 1.181 321 A CA 1.862 53.846 52.037 -0.089 0.000 0.623 321 A CB -0.559 18.348 19.000 -0.155 0.000 0.818 321 A HN 0.671 nan 8.150 nan 0.000 0.443 322 E N -0.217 119.959 120.200 -0.040 0.000 2.077 322 E HA -0.103 4.240 4.350 -0.011 0.000 0.193 322 E C 2.172 178.843 176.600 0.117 0.000 0.989 322 E CA 0.974 57.396 56.400 0.038 0.000 0.800 322 E CB -0.276 29.558 29.700 0.224 0.000 0.746 322 E HN 0.532 nan 8.360 nan 0.000 0.452 323 A N 1.604 124.527 122.820 0.172 0.000 1.873 323 A HA -0.288 4.025 4.320 -0.011 0.000 0.218 323 A C 2.003 179.610 177.584 0.037 0.000 1.193 323 A CA 1.944 54.041 52.037 0.101 0.000 0.629 323 A CB -0.872 18.200 19.000 0.120 0.000 0.826 323 A HN 0.304 nan 8.150 nan 0.000 0.447 324 N N 0.224 118.935 118.700 0.019 0.000 2.069 324 N HA -0.177 4.556 4.740 -0.011 0.000 0.191 324 N C 1.986 177.488 175.510 -0.013 0.000 1.031 324 N CA 1.733 54.778 53.050 -0.010 0.000 0.852 324 N CB -0.655 37.810 38.487 -0.035 0.000 1.018 324 N HN 0.494 nan 8.380 nan 0.000 0.423 325 A N 1.486 124.294 122.820 -0.019 0.000 1.892 325 A HA -0.135 4.179 4.320 -0.011 0.000 0.218 325 A C 2.386 179.988 177.584 0.030 0.000 1.188 325 A CA 1.207 53.242 52.037 -0.003 0.000 0.631 325 A CB -0.819 18.175 19.000 -0.010 0.000 0.822 325 A HN 0.259 nan 8.150 nan 0.000 0.447 326 I N -1.025 119.571 120.570 0.044 0.000 2.208 326 I HA -0.299 3.864 4.170 -0.011 0.000 0.245 326 I C 2.817 178.941 176.117 0.012 0.000 1.097 326 I CA 1.513 62.833 61.300 0.033 0.000 1.363 326 I CB -0.355 37.659 38.000 0.023 0.000 1.051 326 I HN 0.305 nan 8.210 nan 0.000 0.413 327 R N 0.197 120.700 120.500 0.005 0.000 2.073 327 R HA -0.139 4.195 4.340 -0.011 0.000 0.234 327 R C 2.354 178.654 176.300 0.000 0.000 1.134 327 R CA 1.522 57.622 56.100 -0.000 0.000 0.952 327 R CB -0.603 29.695 30.300 -0.003 0.000 0.850 327 R HN 0.204 nan 8.270 nan 0.000 0.433 328 V N 1.122 121.036 119.914 -0.001 0.000 2.282 328 V HA -0.284 3.829 4.120 -0.011 0.000 0.249 328 V C 2.273 178.368 176.094 0.002 0.000 1.057 328 V CA 2.101 64.399 62.300 -0.002 0.000 1.032 328 V CB -0.695 31.123 31.823 -0.007 0.000 0.645 328 V HN 0.455 nan 8.190 nan 0.000 0.447 329 A N -0.732 122.092 122.820 0.007 0.000 2.239 329 A HA 0.333 4.647 4.320 -0.011 0.000 0.209 329 A C 1.925 179.511 177.584 0.003 0.000 1.171 329 A CA 1.049 53.090 52.037 0.007 0.000 0.768 329 A CB -0.707 18.301 19.000 0.013 0.000 0.790 329 A HN 1.382 nan 8.150 nan 0.000 0.478 330 G N -2.613 106.189 108.800 0.004 0.000 2.176 330 G HA2 -0.272 3.681 3.960 -0.011 0.000 0.252 330 G HA3 -0.272 3.681 3.960 -0.011 0.000 0.252 330 G C 0.420 175.324 174.900 0.007 0.000 1.024 330 G CA 0.282 45.384 45.100 0.004 0.000 0.755 330 G HN 0.659 nan 8.290 nan 0.000 0.507 331 C N 0.781 120.085 119.300 0.007 0.000 3.000 331 C HA 0.266 4.719 4.460 -0.011 0.000 0.286 331 C C 1.933 176.925 174.990 0.004 0.000 1.343 331 C CA 0.118 59.141 59.018 0.009 0.000 1.742 331 C CB -0.210 27.535 27.740 0.007 0.000 2.200 331 C HN 0.716 nan 8.230 nan 0.000 0.621 332 D N 0.312 120.712 120.400 -0.000 0.000 2.378 332 D HA -0.122 4.511 4.640 -0.011 0.000 0.227 332 D C 1.558 177.855 176.300 -0.005 0.000 1.012 332 D CA 0.917 54.910 54.000 -0.011 0.000 0.905 332 D CB -0.166 40.626 40.800 -0.014 0.000 0.895 332 D HN 0.361 nan 8.370 nan 0.000 0.532 333 Q N 0.165 119.971 119.800 0.011 0.000 2.392 333 Q HA 0.293 4.626 4.340 -0.011 0.000 0.203 333 Q C 0.701 176.724 176.000 0.038 0.000 0.917 333 Q CA 0.097 55.914 55.803 0.023 0.000 0.939 333 Q CB 0.302 29.057 28.738 0.030 0.000 1.063 333 Q HN 0.413 nan 8.270 nan 0.000 0.516 334 A N 1.090 123.931 122.820 0.036 0.000 2.386 334 A HA 0.514 4.828 4.320 -0.011 0.000 0.248 334 A C 0.066 177.681 177.584 0.051 0.000 1.082 334 A CA 0.112 52.185 52.037 0.060 0.000 0.789 334 A CB 0.260 19.286 19.000 0.043 0.000 1.025 334 A HN 0.248 nan 8.150 nan 0.000 0.490 335 A N 1.530 124.406 122.820 0.093 0.000 2.454 335 A HA 0.503 4.816 4.320 -0.011 0.000 0.260 335 A C -0.025 177.621 177.584 0.104 0.000 1.106 335 A CA -0.179 51.903 52.037 0.074 0.000 0.780 335 A CB -0.252 18.791 19.000 0.071 0.000 1.044 335 A HN 0.974 nan 8.150 nan 0.000 0.498 336 V N 3.731 123.658 119.914 0.021 0.000 2.427 336 V HA 0.312 4.426 4.120 -0.011 0.000 0.286 336 V C -0.585 175.576 176.094 0.113 0.000 1.034 336 V CA -0.389 61.917 62.300 0.009 0.000 0.893 336 V CB 1.107 32.829 31.823 -0.168 0.000 0.982 336 V HN 0.772 nan 8.190 nan 0.000 0.452 337 Y N 3.838 124.178 120.300 0.067 0.000 2.393 337 Y HA 0.729 5.272 4.550 -0.011 0.000 0.341 337 Y C 0.012 175.962 175.900 0.083 0.000 0.988 337 Y CA -1.689 56.452 58.100 0.069 0.000 1.078 337 Y CB 1.798 40.346 38.460 0.148 0.000 1.203 337 Y HN 0.638 nan 8.280 nan 0.000 0.453 338 A N 8.909 131.585 122.820 -0.240 0.000 2.644 338 A HA 0.459 4.772 4.320 -0.011 0.000 0.343 338 A C -2.285 174.902 177.584 -0.661 0.000 1.324 338 A CA -1.552 50.287 52.037 -0.330 0.000 0.846 338 A CB 0.216 19.197 19.000 -0.031 0.000 1.128 338 A HN 0.628 nan 8.150 nan 0.000 0.484 339 P HA -0.141 nan 4.420 nan 0.000 0.222 339 P C 1.036 178.157 177.300 -0.299 0.000 1.147 339 P CA 1.110 63.770 63.100 -0.732 0.000 0.790 339 P CB 0.214 31.640 31.700 -0.457 0.000 0.780 340 K N 0.345 120.569 120.400 -0.293 0.000 2.360 340 K HA -0.071 4.243 4.320 -0.011 0.000 0.201 340 K C 2.226 178.752 176.600 -0.124 0.000 1.046 340 K CA 1.460 57.622 56.287 -0.209 0.000 0.945 340 K CB -0.387 31.935 32.500 -0.298 0.000 0.750 340 K HN 0.247 nan 8.250 nan 0.000 0.464 341 S N 0.488 116.116 115.700 -0.121 0.000 2.400 341 S HA -0.167 4.296 4.470 -0.011 0.000 0.232 341 S C 1.992 176.590 174.600 -0.003 0.000 1.025 341 S CA 1.192 59.367 58.200 -0.042 0.000 0.993 341 S CB -0.060 63.136 63.200 -0.006 0.000 0.808 341 S HN 0.321 nan 8.310 nan 0.000 0.478 342 A N 0.237 123.058 122.820 0.002 0.000 2.070 342 A HA 0.599 4.912 4.320 -0.011 0.000 0.202 342 A C 1.880 179.485 177.584 0.035 0.000 1.277 342 A CA 0.005 52.066 52.037 0.039 0.000 0.872 342 A CB 0.013 19.064 19.000 0.084 0.000 0.933 342 A HN 0.441 nan 8.150 nan 0.000 0.475 343 L N -0.952 120.280 121.223 0.014 0.000 2.664 343 L HA 0.376 4.709 4.340 -0.011 0.000 0.233 343 L C 1.343 178.225 176.870 0.021 0.000 1.113 343 L CA 0.389 55.246 54.840 0.028 0.000 0.896 343 L CB 0.150 42.227 42.059 0.030 0.000 1.163 343 L HN 0.569 nan 8.230 nan 0.000 0.497 344 G N 0.284 109.084 108.800 -0.001 0.000 2.697 344 G HA2 -0.315 3.638 3.960 -0.011 0.000 0.240 344 G HA3 -0.315 3.638 3.960 -0.011 0.000 0.240 344 G C -0.655 174.265 174.900 0.033 0.000 1.346 344 G CA -0.403 44.716 45.100 0.032 0.000 0.887 344 G HN 0.277 nan 8.290 nan 0.000 0.569 345 H N 0.803 119.876 119.070 0.004 0.000 2.595 345 H HA 0.607 5.157 4.556 -0.011 0.000 0.313 345 H C 1.189 176.520 175.328 0.006 0.000 1.023 345 H CA -0.056 55.941 56.048 -0.086 0.000 1.218 345 H CB 0.931 30.539 29.762 -0.257 0.000 1.403 345 H HN 0.765 nan 8.280 nan 0.000 0.477 346 S N 5.428 121.274 115.700 0.244 0.000 2.583 346 S HA 0.157 4.620 4.470 -0.011 0.000 0.239 346 S C 1.268 175.913 174.600 0.075 0.000 0.966 346 S CA -0.438 57.833 58.200 0.118 0.000 0.973 346 S CB -0.220 63.024 63.200 0.073 0.000 0.794 346 S HN 0.549 nan 8.310 nan 0.000 0.463 347 I N 1.492 122.114 120.570 0.087 0.000 4.906 347 I HA -0.373 3.791 4.170 -0.011 0.000 0.038 347 I C 2.240 178.377 176.117 0.035 0.000 0.635 347 I CA 1.846 63.109 61.300 -0.063 0.000 0.215 347 I CB -2.238 35.675 38.000 -0.145 0.000 0.324 347 I HN 0.424 nan 8.210 nan 0.000 0.150 348 G N 0.264 109.070 108.800 0.010 0.000 2.462 348 G HA2 0.005 3.958 3.960 -0.011 0.000 0.220 348 G HA3 0.005 3.958 3.960 -0.011 0.000 0.220 348 G C 1.457 176.373 174.900 0.028 0.000 1.121 348 G CA 2.066 47.177 45.100 0.018 0.000 0.758 348 G HN 1.052 nan 8.290 nan 0.000 0.559 349 A N -0.436 122.406 122.820 0.037 0.000 2.081 349 A HA 0.366 4.680 4.320 -0.011 0.000 0.214 349 A C 2.368 179.972 177.584 0.033 0.000 1.158 349 A CA 1.022 53.081 52.037 0.038 0.000 0.724 349 A CB -0.218 18.810 19.000 0.046 0.000 0.826 349 A HN 0.261 nan 8.150 nan 0.000 0.463 350 V N 0.090 120.029 119.914 0.042 0.000 2.515 350 V HA -0.132 3.981 4.120 -0.011 0.000 0.250 350 V C 2.446 178.537 176.094 -0.006 0.000 1.058 350 V CA 2.212 64.520 62.300 0.012 0.000 1.064 350 V CB -0.637 31.178 31.823 -0.014 0.000 0.675 350 V HN 0.543 nan 8.190 nan 0.000 0.461 351 G N -1.093 107.714 108.800 0.011 0.000 2.422 351 G HA2 -0.149 3.804 3.960 -0.011 0.000 0.218 351 G HA3 -0.149 3.804 3.960 -0.011 0.000 0.218 351 G C 1.692 176.595 174.900 0.005 0.000 1.140 351 G CA 0.911 46.010 45.100 -0.002 0.000 0.775 351 G HN 0.666 nan 8.290 nan 0.000 0.545 352 A N 0.464 123.293 122.820 0.014 0.000 1.897 352 A HA 0.166 4.479 4.320 -0.011 0.000 0.215 352 A C 2.299 179.884 177.584 0.002 0.000 1.181 352 A CA 1.487 53.536 52.037 0.021 0.000 0.620 352 A CB -0.393 18.623 19.000 0.027 0.000 0.821 352 A HN 0.438 nan 8.150 nan 0.000 0.443 353 L N 0.336 121.559 121.223 -0.000 0.000 2.017 353 L HA -0.137 4.196 4.340 -0.011 0.000 0.208 353 L C 2.055 178.911 176.870 -0.022 0.000 1.073 353 L CA 2.496 57.332 54.840 -0.006 0.000 0.745 353 L CB -0.668 41.396 42.059 0.009 0.000 0.894 353 L HN 0.513 nan 8.230 nan 0.000 0.432 354 E N -0.961 119.223 120.200 -0.027 0.000 2.204 354 E HA -0.141 4.202 4.350 -0.011 0.000 0.194 354 E C 2.106 178.671 176.600 -0.058 0.000 0.989 354 E CA 1.082 57.463 56.400 -0.032 0.000 0.824 354 E CB -0.068 29.601 29.700 -0.051 0.000 0.756 354 E HN 0.505 nan 8.360 nan 0.000 0.477 355 S N 0.397 116.063 115.700 -0.058 0.000 2.368 355 S HA -0.105 4.359 4.470 -0.011 0.000 0.224 355 S C 2.202 176.608 174.600 -0.324 0.000 1.029 355 S CA 0.649 58.771 58.200 -0.130 0.000 0.988 355 S CB -0.041 63.208 63.200 0.080 0.000 0.838 355 S HN 0.066 nan 8.310 nan 0.000 0.462 356 V N 2.469 122.267 119.914 -0.193 0.000 2.287 356 V HA -0.184 3.930 4.120 -0.011 0.000 0.248 356 V C 2.172 178.082 176.094 -0.306 0.000 1.053 356 V CA 1.600 63.762 62.300 -0.230 0.000 1.027 356 V CB -0.776 30.966 31.823 -0.135 0.000 0.646 356 V HN 0.434 nan 8.190 nan 0.000 0.447 357 L N -0.373 120.730 121.223 -0.200 0.000 2.083 357 L HA -0.174 4.159 4.340 -0.011 0.000 0.209 357 L C 2.611 179.349 176.870 -0.220 0.000 1.083 357 L CA 1.901 56.633 54.840 -0.179 0.000 0.752 357 L CB -1.143 41.000 42.059 0.140 0.000 0.899 357 L HN 0.365 nan 8.230 nan 0.000 0.433 358 T N -0.446 113.992 114.554 -0.194 0.000 2.746 358 T HA -0.161 4.183 4.350 -0.011 0.000 0.267 358 T C 2.049 176.542 174.700 -0.344 0.000 1.039 358 T CA 1.322 63.310 62.100 -0.186 0.000 1.142 358 T CB -0.278 68.428 68.868 -0.270 0.000 0.866 358 T HN 0.061 nan 8.240 nan 0.000 0.444 359 V N 1.539 121.120 119.914 -0.554 0.000 2.287 359 V HA -0.141 3.972 4.120 -0.011 0.000 0.248 359 V C 2.479 178.351 176.094 -0.371 0.000 1.053 359 V CA 1.560 63.584 62.300 -0.460 0.000 1.027 359 V CB -0.644 30.913 31.823 -0.444 0.000 0.646 359 V HN 0.456 nan 8.190 nan 0.000 0.447 360 L N -0.808 120.076 121.223 -0.565 0.000 2.072 360 L HA -0.135 4.199 4.340 -0.011 0.000 0.205 360 L C 2.630 179.206 176.870 -0.489 0.000 1.079 360 L CA 1.749 56.105 54.840 -0.805 0.000 0.752 360 L CB -1.107 39.883 42.059 -1.783 0.000 0.906 360 L HN 0.326 nan 8.230 nan 0.000 0.436 361 T N 0.705 115.058 114.554 -0.335 0.000 2.665 361 T HA -0.219 4.125 4.350 -0.011 0.000 0.268 361 T C 1.980 176.721 174.700 0.068 0.000 1.035 361 T CA 1.501 63.625 62.100 0.040 0.000 1.151 361 T CB -0.271 68.533 68.868 -0.107 0.000 0.862 361 T HN 0.189 nan 8.240 nan 0.000 0.438 362 L N 0.143 121.366 121.223 0.000 0.000 2.056 362 L HA -0.020 4.313 4.340 -0.011 0.000 0.207 362 L C 2.888 179.788 176.870 0.051 0.000 1.078 362 L CA 1.227 56.103 54.840 0.060 0.000 0.749 362 L CB -0.446 41.633 42.059 0.033 0.000 0.901 362 L HN 0.140 nan 8.230 nan 0.000 0.433 363 R N 0.118 120.615 120.500 -0.006 0.000 2.081 363 R HA -0.177 4.157 4.340 -0.011 0.000 0.235 363 R C 1.175 177.512 176.300 0.063 0.000 1.131 363 R CA 1.957 58.062 56.100 0.008 0.000 0.960 363 R CB -0.017 30.247 30.300 -0.061 0.000 0.856 363 R HN 0.316 nan 8.270 nan 0.000 0.436 364 D N -1.436 119.032 120.400 0.115 0.000 2.360 364 D HA 0.129 4.762 4.640 -0.011 0.000 0.210 364 D C 0.529 176.953 176.300 0.206 0.000 1.047 364 D CA 0.857 54.977 54.000 0.200 0.000 0.854 364 D CB 0.726 41.748 40.800 0.369 0.000 0.936 364 D HN 0.469 nan 8.370 nan 0.000 0.514 365 G N 1.194 110.109 108.800 0.192 0.000 2.323 365 G HA2 -0.190 3.763 3.960 -0.011 0.000 0.292 365 G HA3 -0.190 3.763 3.960 -0.011 0.000 0.292 365 G C -0.020 175.011 174.900 0.218 0.000 1.040 365 G CA 0.680 45.883 45.100 0.172 0.000 0.942 365 G HN 0.393 nan 8.290 nan 0.000 0.506 366 V N -0.083 119.982 119.914 0.252 0.000 2.932 366 V HA 0.749 4.863 4.120 -0.011 0.000 0.307 366 V C -0.615 175.397 176.094 -0.137 0.000 1.147 366 V CA -1.179 61.088 62.300 -0.056 0.000 0.951 366 V CB 2.030 33.554 31.823 -0.499 0.000 1.031 366 V HN 0.359 nan 8.190 nan 0.000 0.426 367 I N 7.278 127.632 120.570 -0.360 0.000 2.406 367 I HA 0.487 4.651 4.170 -0.011 0.000 0.290 367 I C -2.385 173.331 176.117 -0.668 0.000 0.999 367 I CA -2.135 58.820 61.300 -0.575 0.000 1.124 367 I CB 2.398 40.007 38.000 -0.651 0.000 1.289 367 I HN 0.482 nan 8.210 nan 0.000 0.441 368 P HA 0.152 nan 4.420 nan 0.000 0.273 368 P C -2.573 174.378 177.300 -0.581 0.000 1.250 368 P CA -1.214 61.413 63.100 -0.788 0.000 0.793 368 P CB -0.211 30.998 31.700 -0.819 0.000 1.011 369 P HA 0.059 nan 4.420 nan 0.000 0.280 369 P C -0.603 176.772 177.300 0.124 0.000 1.244 369 P CA 0.130 63.187 63.100 -0.072 0.000 0.784 369 P CB 0.079 31.756 31.700 -0.037 0.000 0.913 370 T N 4.466 119.132 114.554 0.187 0.000 2.784 370 T HA 0.167 4.510 4.350 -0.011 0.000 0.291 370 T C 0.734 175.523 174.700 0.148 0.000 0.942 370 T CA -0.016 62.203 62.100 0.199 0.000 1.161 370 T CB -0.381 68.526 68.868 0.065 0.000 0.885 370 T HN 0.183 nan 8.240 nan 0.000 0.534 371 L N 4.243 125.546 121.223 0.133 0.000 2.439 371 L HA 0.205 4.538 4.340 -0.011 0.000 0.269 371 L C 1.052 177.999 176.870 0.128 0.000 1.179 371 L CA -0.511 54.395 54.840 0.110 0.000 0.828 371 L CB 0.116 42.221 42.059 0.078 0.000 1.106 371 L HN 0.720 nan 8.230 nan 0.000 0.467 372 N N 0.026 118.798 118.700 0.119 0.000 2.878 372 N HA -0.280 4.453 4.740 -0.011 0.000 0.247 372 N C -0.394 175.213 175.510 0.162 0.000 1.021 372 N CA 0.826 53.941 53.050 0.108 0.000 0.873 372 N CB -1.397 37.135 38.487 0.076 0.000 1.128 372 N HN 0.600 nan 8.380 nan 0.000 0.571 373 Y N 2.138 122.470 120.300 0.054 0.000 2.632 373 Y HA 0.202 4.745 4.550 -0.010 0.000 0.336 373 Y C 1.335 177.264 175.900 0.049 0.000 1.237 373 Y CA 0.207 58.347 58.100 0.066 0.000 1.595 373 Y CB -0.120 38.392 38.460 0.088 0.000 1.508 373 Y HN 0.079 nan 8.280 nan 0.000 0.480 374 E N 0.946 121.077 120.200 -0.114 0.000 2.399 374 E HA 0.126 4.469 4.350 -0.011 0.000 0.205 374 E C -0.172 176.324 176.600 -0.172 0.000 0.906 374 E CA 0.398 56.731 56.400 -0.112 0.000 0.998 374 E CB 0.721 30.401 29.700 -0.034 0.000 1.002 374 E HN 0.296 nan 8.360 nan 0.000 0.501 375 T N 3.048 117.481 114.554 -0.201 0.000 3.141 375 T HA 0.271 4.615 4.350 -0.011 0.000 0.377 375 T C -2.767 171.796 174.700 -0.229 0.000 1.258 375 T CA -1.441 60.553 62.100 -0.176 0.000 1.263 375 T CB 1.364 70.180 68.868 -0.087 0.000 1.066 375 T HN -0.159 nan 8.240 nan 0.000 0.546 376 P HA 0.018 nan 4.420 nan 0.000 0.261 376 P C 0.115 177.378 177.300 -0.062 0.000 1.183 376 P CA -0.149 62.763 63.100 -0.313 0.000 0.761 376 P CB 0.381 31.913 31.700 -0.279 0.000 0.785 377 D N 5.688 126.117 120.400 0.048 0.000 2.502 377 D HA -0.048 4.586 4.640 -0.011 0.000 0.249 377 D C -1.273 175.058 176.300 0.053 0.000 1.188 377 D CA -1.380 52.661 54.000 0.067 0.000 0.890 377 D CB 0.426 41.302 40.800 0.127 0.000 1.140 377 D HN 0.180 nan 8.370 nan 0.000 0.505 378 P HA -0.139 nan 4.420 nan 0.000 0.216 378 P C 0.801 178.120 177.300 0.031 0.000 1.150 378 P CA 0.990 64.103 63.100 0.021 0.000 0.843 378 P CB 0.311 32.018 31.700 0.013 0.000 0.787 379 E N -1.130 119.093 120.200 0.040 0.000 2.489 379 E HA 0.094 4.438 4.350 -0.011 0.000 0.193 379 E C 0.574 177.205 176.600 0.052 0.000 1.057 379 E CA 0.226 56.649 56.400 0.039 0.000 0.866 379 E CB 0.088 29.808 29.700 0.034 0.000 0.916 379 E HN 0.359 nan 8.360 nan 0.000 0.500 380 I N 1.278 121.892 120.570 0.075 0.000 2.362 380 I HA 0.151 4.314 4.170 -0.011 0.000 0.289 380 I C -0.387 175.764 176.117 0.055 0.000 0.994 380 I CA -0.653 60.697 61.300 0.083 0.000 1.158 380 I CB 1.448 39.548 38.000 0.166 0.000 1.315 380 I HN -0.288 nan 8.210 nan 0.000 0.451 381 D N 8.139 128.551 120.400 0.021 0.000 2.432 381 D HA 0.561 5.194 4.640 -0.011 0.000 0.265 381 D C -1.102 175.182 176.300 -0.026 0.000 1.160 381 D CA -0.031 53.975 54.000 0.011 0.000 0.911 381 D CB 0.560 41.368 40.800 0.013 0.000 1.052 381 D HN 0.316 nan 8.370 nan 0.000 0.508 382 L N 1.258 122.443 121.223 -0.063 0.000 2.350 382 L HA 0.436 4.770 4.340 -0.011 0.000 0.260 382 L C -0.215 176.599 176.870 -0.093 0.000 1.015 382 L CA -1.167 53.599 54.840 -0.124 0.000 0.821 382 L CB 2.053 43.934 42.059 -0.298 0.000 1.370 382 L HN 0.064 nan 8.230 nan 0.000 0.416 383 D N 1.428 121.777 120.400 -0.084 0.000 2.558 383 D HA 0.194 4.828 4.640 -0.011 0.000 0.221 383 D C -0.698 175.537 176.300 -0.107 0.000 1.143 383 D CA -0.135 53.836 54.000 -0.048 0.000 1.010 383 D CB 0.311 41.106 40.800 -0.008 0.000 1.068 383 D HN 0.049 nan 8.370 nan 0.000 0.511 384 V N 3.729 123.524 119.914 -0.199 0.000 2.439 384 V HA 0.076 4.190 4.120 -0.011 0.000 0.271 384 V C 0.683 176.640 176.094 -0.229 0.000 1.040 384 V CA -0.736 61.345 62.300 -0.365 0.000 1.002 384 V CB 1.281 32.550 31.823 -0.923 0.000 1.000 384 V HN 0.192 nan 8.190 nan 0.000 0.477 385 V N 5.372 125.218 119.914 -0.114 0.000 2.529 385 V HA 0.584 4.697 4.120 -0.011 0.000 0.292 385 V C 0.574 176.647 176.094 -0.036 0.000 1.028 385 V CA 0.586 62.855 62.300 -0.052 0.000 1.074 385 V CB 0.625 32.408 31.823 -0.067 0.000 0.958 385 V HN 1.098 nan 8.190 nan 0.000 0.481 386 A N 3.514 126.349 122.820 0.024 0.000 2.612 386 A HA 0.843 5.157 4.320 -0.011 0.000 0.293 386 A C 0.564 178.197 177.584 0.081 0.000 1.075 386 A CA 0.222 52.315 52.037 0.093 0.000 0.680 386 A CB 1.324 20.485 19.000 0.269 0.000 1.279 386 A HN 1.868 nan 8.150 nan 0.000 0.411 387 G N 0.359 109.204 108.800 0.074 0.000 5.259 387 G HA2 -0.165 3.789 3.960 -0.011 0.000 0.288 387 G HA3 -0.165 3.789 3.960 -0.011 0.000 0.288 387 G C 0.091 174.999 174.900 0.013 0.000 1.534 387 G CA 0.616 45.745 45.100 0.047 0.000 1.031 387 G HN 1.069 nan 8.290 nan 0.000 0.724 388 E N 2.011 122.210 120.200 -0.001 0.000 2.299 388 E HA 0.539 4.882 4.350 -0.011 0.000 0.265 388 E C -2.591 173.962 176.600 -0.079 0.000 0.911 388 E CA -2.018 54.367 56.400 -0.025 0.000 0.789 388 E CB 2.444 32.148 29.700 0.007 0.000 1.246 388 E HN 0.279 nan 8.360 nan 0.000 0.427 389 P HA -0.063 nan 4.420 nan 0.000 0.266 389 P C -0.843 176.319 177.300 -0.231 0.000 1.193 389 P CA 0.280 63.204 63.100 -0.293 0.000 0.770 389 P CB 0.500 31.933 31.700 -0.446 0.000 0.836 390 R N 2.739 123.088 120.500 -0.253 0.000 2.288 390 R HA 0.288 4.621 4.340 -0.011 0.000 0.326 390 R C -0.785 175.462 176.300 -0.087 0.000 0.959 390 R CA -0.671 55.379 56.100 -0.084 0.000 0.834 390 R CB 0.173 30.475 30.300 0.004 0.000 1.157 390 R HN 0.387 nan 8.270 nan 0.000 0.470 391 Y N 2.142 122.456 120.300 0.024 0.000 2.393 391 Y HA 0.436 4.980 4.550 -0.011 0.000 0.338 391 Y C 1.019 176.855 175.900 -0.106 0.000 1.029 391 Y CA 0.582 58.675 58.100 -0.011 0.000 1.239 391 Y CB 1.849 40.286 38.460 -0.039 0.000 1.170 391 Y HN 0.721 nan 8.280 nan 0.000 0.515 392 G N 1.865 110.511 108.800 -0.257 0.000 2.718 392 G HA2 0.223 4.177 3.960 -0.011 0.000 0.295 392 G HA3 0.223 4.177 3.960 -0.011 0.000 0.295 392 G C -1.675 172.579 174.900 -1.077 0.000 1.421 392 G CA -0.941 43.699 45.100 -0.767 0.000 0.902 392 G HN 0.414 nan 8.290 nan 0.000 0.501 393 D N 0.598 120.612 120.400 -0.643 0.000 2.671 393 D HA 0.194 4.828 4.640 -0.011 0.000 0.228 393 D C -0.381 175.710 176.300 -0.349 0.000 1.102 393 D CA -0.196 53.563 54.000 -0.402 0.000 1.044 393 D CB -0.520 40.167 40.800 -0.189 0.000 1.113 393 D HN 0.205 nan 8.370 nan 0.000 0.480 394 Y N 0.951 121.247 120.300 -0.007 0.000 2.531 394 Y HA 0.254 4.797 4.550 -0.012 0.000 0.347 394 Y C 1.636 177.505 175.900 -0.053 0.000 1.024 394 Y CA -0.502 57.598 58.100 -0.001 0.000 1.306 394 Y CB 0.580 39.041 38.460 0.001 0.000 1.149 394 Y HN 0.109 nan 8.280 nan 0.000 0.527 395 R N 1.641 122.154 120.500 0.021 0.000 2.105 395 R HA 0.151 4.485 4.340 -0.011 0.000 0.214 395 R C -0.704 175.273 176.300 -0.538 0.000 1.091 395 R CA 0.588 56.512 56.100 -0.294 0.000 1.007 395 R CB 0.274 30.362 30.300 -0.353 0.000 0.912 395 R HN 0.502 nan 8.270 nan 0.000 0.450 396 Y N -0.662 119.728 120.300 0.150 0.000 2.512 396 Y HA 0.691 5.234 4.550 -0.011 0.000 0.348 396 Y C -0.490 175.502 175.900 0.152 0.000 0.990 396 Y CA -1.347 56.834 58.100 0.134 0.000 1.033 396 Y CB 2.227 40.739 38.460 0.087 0.000 1.259 396 Y HN -0.022 nan 8.280 nan 0.000 0.461 397 A N 1.169 124.166 122.820 0.295 0.000 2.539 397 A HA 0.872 5.185 4.320 -0.011 0.000 0.296 397 A C -1.958 175.714 177.584 0.146 0.000 1.073 397 A CA -0.785 51.369 52.037 0.194 0.000 0.700 397 A CB 1.440 20.580 19.000 0.234 0.000 1.296 397 A HN 0.470 nan 8.150 nan 0.000 0.405 398 V N 1.873 121.803 119.914 0.026 0.000 2.448 398 V HA 0.390 4.503 4.120 -0.011 0.000 0.295 398 V C -0.321 175.759 176.094 -0.023 0.000 1.025 398 V CA -0.707 61.598 62.300 0.008 0.000 0.859 398 V CB 1.668 33.474 31.823 -0.029 0.000 0.988 398 V HN 0.900 nan 8.190 nan 0.000 0.431 399 N N 4.337 123.069 118.700 0.052 0.000 2.422 399 N HA 0.316 5.049 4.740 -0.011 0.000 0.266 399 N C -0.544 174.920 175.510 -0.077 0.000 1.007 399 N CA -0.249 52.807 53.050 0.010 0.000 0.941 399 N CB 0.747 39.308 38.487 0.124 0.000 1.115 399 N HN 0.621 nan 8.380 nan 0.000 0.492 400 N N 1.385 120.004 118.700 -0.134 0.000 2.473 400 N HA 0.433 5.167 4.740 -0.011 0.000 0.291 400 N C -1.207 174.020 175.510 -0.473 0.000 1.083 400 N CA -0.228 52.630 53.050 -0.320 0.000 0.951 400 N CB 1.492 39.829 38.487 -0.251 0.000 1.164 400 N HN 0.408 nan 8.380 nan 0.000 0.480 401 S N 0.840 116.050 115.700 -0.816 0.000 2.540 401 S HA 0.703 5.167 4.470 -0.011 0.000 0.275 401 S C -1.414 172.415 174.600 -1.286 0.000 1.123 401 S CA -0.578 57.102 58.200 -0.867 0.000 0.907 401 S CB 0.887 63.872 63.200 -0.358 0.000 1.081 401 S HN 0.331 nan 8.310 nan 0.000 0.476 402 F N 0.367 119.801 119.950 -0.860 0.000 2.588 402 F HA 0.814 5.335 4.527 -0.011 0.000 0.310 402 F C 0.575 176.229 175.800 -0.243 0.000 1.082 402 F CA -0.753 56.991 58.000 -0.427 0.000 0.929 402 F CB 2.090 40.918 39.000 -0.288 0.000 1.254 402 F HN 0.710 nan 8.300 nan 0.000 0.455 403 G N 0.858 109.790 108.800 0.219 0.000 2.620 403 G HA2 0.587 4.540 3.960 -0.011 0.000 0.301 403 G HA3 0.587 4.540 3.960 -0.011 0.000 0.301 403 G C -1.501 173.664 174.900 0.441 0.000 1.347 403 G CA -0.718 44.533 45.100 0.252 0.000 0.971 403 G HN 0.257 nan 8.290 nan 0.000 0.488 404 F N 0.727 120.827 119.950 0.249 0.000 2.635 404 F HA 0.337 4.857 4.527 -0.011 0.000 0.379 404 F C 1.684 177.618 175.800 0.222 0.000 1.094 404 F CA 1.297 59.418 58.000 0.203 0.000 1.300 404 F CB 0.843 39.946 39.000 0.172 0.000 1.035 404 F HN 1.083 nan 8.300 nan 0.000 0.581 405 G N 0.866 109.813 108.800 0.244 0.000 2.201 405 G HA2 0.074 4.028 3.960 -0.011 0.000 0.212 405 G HA3 0.074 4.028 3.960 -0.011 0.000 0.212 405 G C 0.839 175.572 174.900 -0.279 0.000 0.994 405 G CA 0.179 45.266 45.100 -0.023 0.000 0.644 405 G HN 1.888 nan 8.290 nan 0.000 0.508 406 G N -0.128 108.614 108.800 -0.095 0.000 2.149 406 G HA2 -0.197 3.756 3.960 -0.011 0.000 0.235 406 G HA3 -0.197 3.756 3.960 -0.011 0.000 0.235 406 G C 0.000 174.831 174.900 -0.115 0.000 1.018 406 G CA 0.550 45.611 45.100 -0.066 0.000 0.728 406 G HN 1.365 nan 8.290 nan 0.000 0.508 407 H N 0.754 119.912 119.070 0.147 0.000 2.620 407 H HA 0.351 4.901 4.556 -0.011 0.000 0.313 407 H C -0.025 175.403 175.328 0.165 0.000 1.075 407 H CA -0.159 55.962 56.048 0.123 0.000 1.397 407 H CB 0.727 30.544 29.762 0.091 0.000 1.446 407 H HN 0.277 nan 8.280 nan 0.000 0.493 408 N N 2.822 121.673 118.700 0.251 0.000 2.399 408 N HA 0.263 4.997 4.740 -0.011 0.000 0.280 408 N C -0.824 174.730 175.510 0.074 0.000 1.008 408 N CA -0.488 52.723 53.050 0.268 0.000 0.894 408 N CB 2.991 41.673 38.487 0.325 0.000 1.273 408 N HN 0.215 nan 8.380 nan 0.000 0.486 409 V N 0.698 120.557 119.914 -0.092 0.000 2.531 409 V HA 0.788 4.902 4.120 -0.011 0.000 0.301 409 V C -0.409 175.564 176.094 -0.202 0.000 1.034 409 V CA -0.861 61.358 62.300 -0.134 0.000 0.865 409 V CB 1.581 33.318 31.823 -0.143 0.000 0.995 409 V HN 0.800 nan 8.190 nan 0.000 0.424 410 A N 5.696 128.424 122.820 -0.154 0.000 2.356 410 A HA 0.948 5.261 4.320 -0.011 0.000 0.310 410 A C -1.142 176.321 177.584 -0.202 0.000 1.075 410 A CA -0.530 51.412 52.037 -0.158 0.000 0.746 410 A CB 1.204 20.143 19.000 -0.102 0.000 1.221 410 A HN 0.791 nan 8.150 nan 0.000 0.443 411 L N 1.839 122.939 121.223 -0.205 0.000 2.341 411 L HA 0.721 5.054 4.340 -0.011 0.000 0.278 411 L C 0.387 177.036 176.870 -0.368 0.000 1.005 411 L CA -0.661 53.956 54.840 -0.372 0.000 0.818 411 L CB 2.074 43.898 42.059 -0.392 0.000 1.259 411 L HN 0.775 nan 8.230 nan 0.000 0.418 412 A N 3.511 126.031 122.820 -0.499 0.000 2.260 412 A HA 0.773 5.087 4.320 -0.011 0.000 0.314 412 A C -1.005 176.332 177.584 -0.411 0.000 1.257 412 A CA -0.203 51.648 52.037 -0.311 0.000 0.871 412 A CB 0.057 18.911 19.000 -0.243 0.000 1.166 412 A HN 0.503 nan 8.150 nan 0.000 0.522 413 F N 1.320 121.260 119.950 -0.018 0.000 2.492 413 F HA 0.678 5.200 4.527 -0.009 0.000 0.327 413 F C 0.932 176.803 175.800 0.119 0.000 1.079 413 F CA -0.229 57.784 58.000 0.022 0.000 0.967 413 F CB 2.553 41.556 39.000 0.004 0.000 1.169 413 F HN 0.673 nan 8.300 nan 0.000 0.472 414 G N 1.049 110.034 108.800 0.308 0.000 2.481 414 G HA2 0.524 4.477 3.960 -0.011 0.000 0.315 414 G HA3 0.524 4.477 3.960 -0.011 0.000 0.315 414 G C -1.533 173.419 174.900 0.086 0.000 1.231 414 G CA -1.074 44.135 45.100 0.181 0.000 0.968 414 G HN 0.649 nan 8.290 nan 0.000 0.482 415 R N 0.155 120.613 120.500 -0.070 0.000 2.537 415 R HA 0.233 4.566 4.340 -0.011 0.000 0.280 415 R C -0.583 175.748 176.300 0.053 0.000 1.058 415 R CA -0.386 55.708 56.100 -0.010 0.000 1.057 415 R CB 0.326 30.581 30.300 -0.076 0.000 0.973 415 R HN 0.588 nan 8.270 nan 0.000 0.438 416 Y N 0.000 120.293 120.300 -0.011 0.000 2.660 416 Y HA 0.000 4.542 4.550 -0.013 0.000 0.201 416 Y CA 0.000 58.103 58.100 0.005 0.000 1.940 416 Y CB 0.000 38.469 38.460 0.015 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758