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 1z5h_1_B DATA FIRST_RESID 1 DATA SEQUENCE MEVEKYDLTL DFDIQKRTFN GTETITADAG DIVLDAVGLQ INWMKVNGRD DATA SEQUENCE TAFTYDGQTV RAPGDSQPQK IEISFAGKVS DSLSGIYYAG RENGMITTHF DATA SEQUENCE EATDARRMFP CVDHPAYKAV FAITVVIDKD YDAISNMPPK RIEVSERKVV DATA SEQUENCE EFQDTPRMST YLLYVGIGKF RYEYEKYRDI DLILASLKDI RSKYPLDMAR DATA SEQUENCE KSVEFYENYF GIPYALPKMH LISVPEFGAG AMENWGAITF REIYMDIAEN DATA SEQUENCE SAVTVKRNSA NVIAHEIAHQ WFGDLVTMKW WNDLWLNESF ATFMSYKTMD DATA SEQUENCE TLFPEWSFWG DFFVSRTSGA LRSDSLKNTH PIEVDVRDPD EISQIFDEIS DATA SEQUENCE YGKGASILRM IEDYAGYEEF RKGISKYLND HKFGNAEGSD LWTAIEDVSG DATA SEQUENCE KPVKRVMEYW IKNPGYPVIK LKRNGRKITM YQTRFLLNGE EEGRWPVPVN DATA SEQUENCE IKKKDGVERI LLEDEASIEA DGLIKINADS AGFYRVLYDD ATFSDVMGHY DATA SEQUENCE RDLSPLDRIG LVDDLFAFLL SGHIDPETYR QRIRNFFDDE DHNVITAIVG DATA SEQUENCE QMEYLRMLTH AFDDDARAFC RSRMQFLTGK QDENLKIALG RVSRLYVMVD DATA SEQUENCE ESYAEEMSKL FKDFDSAEPE MRSSIATAYA LVTGDLKGLL EKFRSVDRDE DATA SEQUENCE DRVRIISAFG KLKSNTDLST VYGMVEKTEI KKQDMISFFS SALETLPGRE DATA SEQUENCE FIFANLDRII RLVIRYFTGN RTASRTVEMM IPVIGLDHPD AEDIVRNIGS DATA SEQUENCE KNISMGLAKG IEMLAVNRKL VERIRQTAVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.384 176.300 0.139 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 E N 2.241 122.533 120.200 0.153 0.000 2.220 2 E HA 0.364 4.715 4.350 0.001 0.000 0.272 2 E C -0.965 175.667 176.600 0.054 0.000 1.099 2 E CA 0.016 56.502 56.400 0.144 0.000 0.907 2 E CB 1.073 30.812 29.700 0.065 0.000 1.022 2 E HN 0.489 nan 8.360 nan 0.000 0.428 3 V N 3.353 123.302 119.914 0.059 0.000 2.483 3 V HA 0.089 4.210 4.120 0.001 0.000 0.295 3 V C 1.475 177.518 176.094 -0.086 0.000 1.035 3 V CA -0.346 61.902 62.300 -0.087 0.000 0.896 3 V CB 1.784 33.476 31.823 -0.217 0.000 0.986 3 V HN 0.696 nan 8.190 nan 0.000 0.447 4 E N 3.643 123.755 120.200 -0.145 0.000 2.251 4 E HA 0.153 4.504 4.350 0.001 0.000 0.194 4 E C 0.587 177.097 176.600 -0.151 0.000 0.964 4 E CA 0.358 56.692 56.400 -0.110 0.000 0.868 4 E CB 0.555 30.201 29.700 -0.090 0.000 0.828 4 E HN 0.624 nan 8.360 nan 0.000 0.481 5 K N -0.660 119.586 120.400 -0.257 0.000 2.587 5 K HA 0.235 4.556 4.320 0.001 0.000 0.276 5 K C -2.173 174.198 176.600 -0.381 0.000 0.956 5 K CA -0.650 55.484 56.287 -0.254 0.000 0.857 5 K CB 1.276 33.692 32.500 -0.140 0.000 1.431 5 K HN -0.065 nan 8.250 nan 0.000 0.420 6 Y N 1.190 121.307 120.300 -0.304 0.000 2.361 6 Y HA 0.264 4.815 4.550 0.001 0.000 0.337 6 Y C -0.701 175.147 175.900 -0.086 0.000 0.965 6 Y CA -0.687 57.304 58.100 -0.181 0.000 1.091 6 Y CB 1.963 40.289 38.460 -0.224 0.000 1.182 6 Y HN 0.451 nan 8.280 nan 0.000 0.450 7 D N 4.486 124.948 120.400 0.104 0.000 2.464 7 D HA 0.230 4.870 4.640 0.001 0.000 0.243 7 D C -1.692 174.654 176.300 0.076 0.000 1.104 7 D CA -0.336 53.707 54.000 0.073 0.000 0.883 7 D CB 1.046 41.869 40.800 0.038 0.000 1.050 7 D HN 0.478 nan 8.370 nan 0.000 0.524 8 L N 2.810 124.064 121.223 0.053 0.000 2.307 8 L HA 0.553 4.894 4.340 0.001 0.000 0.284 8 L C -0.761 176.109 176.870 -0.000 0.000 1.023 8 L CA -0.051 54.793 54.840 0.007 0.000 0.810 8 L CB 2.068 44.032 42.059 -0.159 0.000 1.231 8 L HN 0.083 nan 8.230 nan 0.000 0.423 9 T N 6.391 120.932 114.554 -0.021 0.000 2.809 9 T HA 0.565 4.916 4.350 0.001 0.000 0.284 9 T C -0.621 174.017 174.700 -0.103 0.000 0.992 9 T CA -0.239 61.840 62.100 -0.036 0.000 0.957 9 T CB 0.745 69.590 68.868 -0.039 0.000 0.942 9 T HN 0.439 nan 8.240 nan 0.000 0.439 10 L N 3.371 124.536 121.223 -0.096 0.000 2.319 10 L HA 0.447 4.787 4.340 0.001 0.000 0.281 10 L C -0.205 176.517 176.870 -0.248 0.000 1.005 10 L CA -0.903 53.779 54.840 -0.264 0.000 0.828 10 L CB 1.429 43.242 42.059 -0.409 0.000 1.227 10 L HN 0.529 nan 8.230 nan 0.000 0.415 11 D N 3.934 124.187 120.400 -0.245 0.000 2.428 11 D HA 0.256 4.896 4.640 0.001 0.000 0.221 11 D C -0.793 175.428 176.300 -0.132 0.000 1.123 11 D CA -0.204 53.730 54.000 -0.109 0.000 0.869 11 D CB 0.531 41.287 40.800 -0.074 0.000 1.032 11 D HN 0.055 nan 8.370 nan 0.000 0.506 12 F N 1.800 121.777 119.950 0.045 0.000 2.385 12 F HA 0.203 4.731 4.527 0.001 0.000 0.336 12 F C 1.095 176.899 175.800 0.008 0.000 1.100 12 F CA -0.676 57.360 58.000 0.060 0.000 1.116 12 F CB 1.120 40.122 39.000 0.004 0.000 1.166 12 F HN 0.159 nan 8.300 nan 0.000 0.511 13 D N 3.940 124.464 120.400 0.208 0.000 2.464 13 D HA 0.196 4.837 4.640 0.001 0.000 0.243 13 D C 0.984 177.321 176.300 0.061 0.000 1.104 13 D CA -0.262 53.788 54.000 0.084 0.000 0.883 13 D CB 0.646 41.475 40.800 0.048 0.000 1.050 13 D HN 0.249 nan 8.370 nan 0.000 0.524 14 I N 2.683 123.235 120.570 -0.030 0.000 2.208 14 I HA -0.274 3.897 4.170 0.001 0.000 0.245 14 I C 1.837 177.888 176.117 -0.110 0.000 1.097 14 I CA 1.248 62.474 61.300 -0.123 0.000 1.363 14 I CB -0.883 36.904 38.000 -0.356 0.000 1.051 14 I HN 0.417 nan 8.210 nan 0.000 0.413 15 Q N 0.976 120.729 119.800 -0.078 0.000 2.079 15 Q HA -0.111 4.230 4.340 0.001 0.000 0.200 15 Q C 2.126 178.089 176.000 -0.061 0.000 0.974 15 Q CA 1.340 57.103 55.803 -0.067 0.000 0.840 15 Q CB -0.282 28.436 28.738 -0.034 0.000 0.898 15 Q HN 0.448 nan 8.270 nan 0.000 0.430 16 K N -0.116 120.265 120.400 -0.031 0.000 2.418 16 K HA 0.118 4.439 4.320 0.001 0.000 0.195 16 K C -0.298 176.299 176.600 -0.006 0.000 1.035 16 K CA -0.024 56.252 56.287 -0.018 0.000 1.003 16 K CB 0.481 32.978 32.500 -0.005 0.000 0.793 16 K HN -0.036 nan 8.250 nan 0.000 0.494 17 R N 0.801 121.303 120.500 0.004 0.000 3.423 17 R HA -0.119 4.222 4.340 0.001 0.000 0.271 17 R C -0.328 176.054 176.300 0.137 0.000 1.093 17 R CA 1.338 57.472 56.100 0.056 0.000 0.730 17 R CB -3.257 27.043 30.300 0.001 0.000 1.190 17 R HN 0.535 nan 8.270 nan 0.000 0.437 18 T N -2.662 111.978 114.554 0.144 0.000 2.864 18 T HA 0.907 5.257 4.350 0.001 0.000 0.289 18 T C -0.209 174.598 174.700 0.178 0.000 1.082 18 T CA -0.761 61.394 62.100 0.091 0.000 1.009 18 T CB 2.735 71.588 68.868 -0.025 0.000 1.234 18 T HN 0.401 nan 8.240 nan 0.000 0.526 19 F N -1.302 118.607 119.950 -0.069 0.000 2.678 19 F HA 0.714 5.241 4.527 0.001 0.000 0.308 19 F C -1.599 174.058 175.800 -0.239 0.000 1.118 19 F CA -1.250 56.600 58.000 -0.251 0.000 0.959 19 F CB 0.983 39.612 39.000 -0.617 0.000 1.305 19 F HN 0.699 nan 8.300 nan 0.000 0.443 20 N N 0.251 118.889 118.700 -0.103 0.000 2.362 20 N HA 0.738 5.479 4.740 0.001 0.000 0.298 20 N C -0.751 174.580 175.510 -0.298 0.000 1.048 20 N CA -0.952 51.961 53.050 -0.228 0.000 0.858 20 N CB 2.199 40.576 38.487 -0.183 0.000 1.218 20 N HN 1.059 nan 8.380 nan 0.000 0.488 21 G N 0.134 108.519 108.800 -0.692 0.000 2.574 21 G HA2 0.701 4.662 3.960 0.001 0.000 0.299 21 G HA3 0.701 4.662 3.960 0.001 0.000 0.299 21 G C -1.204 172.995 174.900 -1.169 0.000 1.298 21 G CA -0.288 44.180 45.100 -1.054 0.000 0.952 21 G HN 0.354 nan 8.290 nan 0.000 0.477 22 T N 0.318 114.509 114.554 -0.605 0.000 2.993 22 T HA 0.616 4.966 4.350 0.001 0.000 0.312 22 T C -0.981 173.699 174.700 -0.034 0.000 1.115 22 T CA -0.663 61.255 62.100 -0.302 0.000 1.027 22 T CB 2.055 70.803 68.868 -0.200 0.000 1.116 22 T HN 0.871 nan 8.240 nan 0.000 0.464 23 E N 0.267 120.518 120.200 0.084 0.000 2.412 23 E HA 0.701 5.052 4.350 0.001 0.000 0.279 23 E C -1.638 175.021 176.600 0.098 0.000 0.984 23 E CA -1.038 55.445 56.400 0.139 0.000 0.788 23 E CB 1.809 31.677 29.700 0.281 0.000 1.277 23 E HN 0.340 nan 8.360 nan 0.000 0.455 24 T N 2.046 116.646 114.554 0.077 0.000 2.847 24 T HA 0.439 4.790 4.350 0.001 0.000 0.291 24 T C -0.416 174.279 174.700 -0.008 0.000 0.998 24 T CA -0.510 61.613 62.100 0.038 0.000 0.967 24 T CB 0.285 69.170 68.868 0.029 0.000 0.954 24 T HN 0.359 nan 8.240 nan 0.000 0.441 25 I N 2.888 123.427 120.570 -0.052 0.000 2.331 25 I HA 0.297 4.468 4.170 0.001 0.000 0.292 25 I C 0.420 176.435 176.117 -0.170 0.000 0.998 25 I CA -0.557 60.626 61.300 -0.196 0.000 1.267 25 I CB 1.374 39.240 38.000 -0.223 0.000 1.386 25 I HN 0.458 nan 8.210 nan 0.000 0.476 26 T N 6.321 120.748 114.554 -0.211 0.000 2.910 26 T HA 0.626 4.977 4.350 0.001 0.000 0.323 26 T C 0.068 174.670 174.700 -0.163 0.000 1.091 26 T CA -0.431 61.583 62.100 -0.142 0.000 0.960 26 T CB 0.615 69.414 68.868 -0.116 0.000 1.024 26 T HN 0.711 nan 8.240 nan 0.000 0.509 27 A N 3.098 125.844 122.820 -0.123 0.000 2.437 27 A HA 0.826 5.147 4.320 0.001 0.000 0.292 27 A C -0.510 177.041 177.584 -0.055 0.000 1.173 27 A CA -0.909 51.068 52.037 -0.100 0.000 0.785 27 A CB 0.973 19.911 19.000 -0.103 0.000 1.351 27 A HN 0.549 nan 8.150 nan 0.000 0.431 28 D N 0.001 120.380 120.400 -0.035 0.000 2.433 28 D HA 0.536 5.177 4.640 0.001 0.000 0.255 28 D C 0.843 177.135 176.300 -0.013 0.000 1.226 28 D CA 0.583 54.571 54.000 -0.019 0.000 1.015 28 D CB 0.791 41.586 40.800 -0.008 0.000 1.091 28 D HN 0.734 nan 8.370 nan 0.000 0.527 29 A N -0.830 121.986 122.820 -0.007 0.000 2.346 29 A HA 0.575 4.896 4.320 0.001 0.000 0.255 29 A C 0.719 178.304 177.584 0.003 0.000 1.113 29 A CA 0.637 52.673 52.037 -0.002 0.000 0.798 29 A CB -0.352 18.648 19.000 -0.001 0.000 1.073 29 A HN 0.838 nan 8.150 nan 0.000 0.502 30 G N -0.543 108.261 108.800 0.006 0.000 2.555 30 G HA2 0.128 4.089 3.960 0.001 0.000 0.686 30 G HA3 0.128 4.089 3.960 0.001 0.000 0.686 30 G C -0.911 173.996 174.900 0.012 0.000 1.275 30 G CA -0.290 44.816 45.100 0.009 0.000 0.871 30 G HN 0.914 nan 8.290 nan 0.000 0.603 31 D N -0.668 119.740 120.400 0.014 0.000 2.443 31 D HA 0.259 4.899 4.640 0.001 0.000 0.234 31 D C 0.503 176.813 176.300 0.016 0.000 1.172 31 D CA 0.652 54.663 54.000 0.020 0.000 0.878 31 D CB 0.816 41.629 40.800 0.021 0.000 1.204 31 D HN 0.344 nan 8.370 nan 0.000 0.453 32 I N 1.254 121.839 120.570 0.024 0.000 2.312 32 I HA 0.148 4.319 4.170 0.001 0.000 0.290 32 I C -0.042 176.087 176.117 0.021 0.000 1.008 32 I CA -0.455 60.855 61.300 0.017 0.000 1.226 32 I CB 1.583 39.597 38.000 0.022 0.000 1.371 32 I HN -0.031 nan 8.210 nan 0.000 0.468 33 V N 8.453 128.369 119.914 0.003 0.000 2.447 33 V HA 0.629 4.750 4.120 0.001 0.000 0.292 33 V C -1.164 174.920 176.094 -0.017 0.000 1.021 33 V CA -0.261 62.041 62.300 0.003 0.000 0.850 33 V CB 1.341 33.161 31.823 -0.005 0.000 1.005 33 V HN 0.570 nan 8.190 nan 0.000 0.426 34 L N 5.455 126.671 121.223 -0.012 0.000 2.388 34 L HA 0.675 5.015 4.340 0.001 0.000 0.264 34 L C -0.590 176.258 176.870 -0.037 0.000 0.998 34 L CA -0.839 53.980 54.840 -0.034 0.000 0.817 34 L CB 2.324 44.353 42.059 -0.050 0.000 1.338 34 L HN 0.480 nan 8.230 nan 0.000 0.414 35 D N 2.228 122.590 120.400 -0.064 0.000 2.302 35 D HA 0.542 5.182 4.640 0.001 0.000 0.248 35 D C -0.375 175.862 176.300 -0.105 0.000 1.094 35 D CA 0.119 54.086 54.000 -0.055 0.000 0.897 35 D CB 2.150 42.906 40.800 -0.073 0.000 1.200 35 D HN 0.599 nan 8.370 nan 0.000 0.429 36 A N 1.827 124.639 122.820 -0.013 0.000 2.500 36 A HA 0.446 4.767 4.320 0.001 0.000 0.288 36 A C -1.236 176.437 177.584 0.148 0.000 1.045 36 A CA -0.680 51.331 52.037 -0.043 0.000 0.830 36 A CB 1.103 19.968 19.000 -0.224 0.000 1.337 36 A HN 0.268 nan 8.150 nan 0.000 0.400 37 V N 1.809 121.771 119.914 0.079 0.000 2.531 37 V HA 0.708 4.829 4.120 0.001 0.000 0.301 37 V C 1.180 177.350 176.094 0.127 0.000 1.034 37 V CA 0.611 62.983 62.300 0.120 0.000 0.865 37 V CB 1.177 33.037 31.823 0.061 0.000 0.995 37 V HN 2.363 nan 8.190 nan 0.000 0.424 38 G N 4.242 113.134 108.800 0.153 0.000 2.184 38 G HA2 -0.214 3.747 3.960 0.001 0.000 0.264 38 G HA3 -0.214 3.747 3.960 0.001 0.000 0.264 38 G C 0.085 175.063 174.900 0.129 0.000 0.975 38 G CA 0.470 45.647 45.100 0.128 0.000 0.642 38 G HN 0.546 nan 8.290 nan 0.000 0.536 39 L N -0.133 121.178 121.223 0.147 0.000 2.439 39 L HA 0.596 4.937 4.340 0.001 0.000 0.259 39 L C 0.739 177.675 176.870 0.109 0.000 1.129 39 L CA -0.629 54.255 54.840 0.075 0.000 0.803 39 L CB 1.395 43.427 42.059 -0.045 0.000 1.161 39 L HN 0.265 nan 8.230 nan 0.000 0.462 40 Q N 1.911 121.745 119.800 0.056 0.000 2.381 40 Q HA 0.386 4.727 4.340 0.001 0.000 0.263 40 Q C -1.452 174.567 176.000 0.031 0.000 1.030 40 Q CA -0.791 55.059 55.803 0.079 0.000 0.772 40 Q CB 1.394 30.161 28.738 0.048 0.000 1.232 40 Q HN 0.439 nan 8.270 nan 0.000 0.476 41 I N 4.333 124.893 120.570 -0.016 0.000 2.337 41 I HA 0.107 4.278 4.170 0.001 0.000 0.291 41 I C 0.779 176.946 176.117 0.084 0.000 1.046 41 I CA 0.193 61.446 61.300 -0.079 0.000 1.324 41 I CB 0.994 38.800 38.000 -0.323 0.000 1.409 41 I HN 0.697 nan 8.210 nan 0.000 0.494 42 N N 6.448 125.136 118.700 -0.020 0.000 2.207 42 N HA 0.047 4.788 4.740 0.001 0.000 0.182 42 N C -0.557 175.128 175.510 0.291 0.000 1.020 42 N CA 0.837 53.929 53.050 0.069 0.000 0.858 42 N CB 0.198 38.629 38.487 -0.094 0.000 0.991 42 N HN 0.694 nan 8.380 nan 0.000 0.427 43 W N -1.157 120.208 121.300 0.109 0.000 3.064 43 W HA 0.420 5.080 4.660 0.001 0.000 0.328 43 W C -2.163 174.337 176.519 -0.032 0.000 1.210 43 W CA -0.842 56.591 57.345 0.148 0.000 1.178 43 W CB 0.279 29.817 29.460 0.129 0.000 1.416 43 W HN -0.291 nan 8.180 nan 0.000 0.568 44 M N 2.164 122.045 119.600 0.468 0.000 2.572 44 M HA 0.614 5.095 4.480 0.001 0.000 0.299 44 M C -1.671 174.863 176.300 0.389 0.000 1.205 44 M CA -0.457 54.993 55.300 0.249 0.000 0.876 44 M CB 2.849 35.392 32.600 -0.095 0.000 1.728 44 M HN 0.530 nan 8.290 nan 0.000 0.458 45 K N 2.448 123.028 120.400 0.300 0.000 2.468 45 K HA 0.656 4.977 4.320 0.001 0.000 0.252 45 K C -1.852 174.824 176.600 0.127 0.000 0.932 45 K CA -0.814 55.600 56.287 0.212 0.000 0.794 45 K CB 2.942 35.581 32.500 0.233 0.000 1.241 45 K HN 0.514 nan 8.250 nan 0.000 0.428 46 V N 3.544 123.512 119.914 0.089 0.000 2.407 46 V HA 0.170 4.291 4.120 0.001 0.000 0.291 46 V C -0.141 175.978 176.094 0.043 0.000 1.018 46 V CA -0.893 61.442 62.300 0.058 0.000 0.842 46 V CB 1.243 33.098 31.823 0.052 0.000 0.996 46 V HN 0.861 nan 8.190 nan 0.000 0.426 47 N N 4.059 122.779 118.700 0.033 0.000 2.721 47 N HA -0.222 4.519 4.740 0.001 0.000 0.249 47 N C 1.199 176.723 175.510 0.023 0.000 1.072 47 N CA 1.738 54.801 53.050 0.022 0.000 0.710 47 N CB -1.081 37.415 38.487 0.015 0.000 0.993 47 N HN 1.525 nan 8.380 nan 0.000 0.547 48 G N -1.439 107.381 108.800 0.034 0.000 2.176 48 G HA2 -0.357 3.603 3.960 0.001 0.000 0.253 48 G HA3 -0.357 3.603 3.960 0.001 0.000 0.253 48 G C 0.053 174.958 174.900 0.010 0.000 0.979 48 G CA 0.424 45.537 45.100 0.023 0.000 0.641 48 G HN 0.541 nan 8.290 nan 0.000 0.530 49 R N 1.013 121.527 120.500 0.023 0.000 2.255 49 R HA 0.420 4.761 4.340 0.001 0.000 0.326 49 R C -0.913 175.409 176.300 0.036 0.000 0.986 49 R CA -0.754 55.356 56.100 0.017 0.000 0.847 49 R CB 0.763 31.076 30.300 0.020 0.000 1.111 49 R HN 0.252 nan 8.270 nan 0.000 0.452 50 D N 1.864 122.269 120.400 0.007 0.000 2.520 50 D HA -0.010 4.630 4.640 0.001 0.000 0.243 50 D C -0.399 175.954 176.300 0.089 0.000 1.160 50 D CA 1.296 55.318 54.000 0.038 0.000 0.877 50 D CB 0.645 41.428 40.800 -0.027 0.000 1.150 50 D HN 0.270 nan 8.370 nan 0.000 0.494 51 T N 1.507 116.158 114.554 0.161 0.000 2.841 51 T HA 0.623 4.974 4.350 0.001 0.000 0.283 51 T C 0.008 174.869 174.700 0.268 0.000 1.000 51 T CA -0.835 61.368 62.100 0.171 0.000 0.977 51 T CB 1.653 70.613 68.868 0.154 0.000 0.979 51 T HN 0.390 nan 8.240 nan 0.000 0.446 52 A N 2.878 125.805 122.820 0.179 0.000 2.425 52 A HA 0.736 5.057 4.320 0.001 0.000 0.242 52 A C -0.384 177.330 177.584 0.217 0.000 1.077 52 A CA -0.175 51.935 52.037 0.121 0.000 0.781 52 A CB -0.369 18.647 19.000 0.026 0.000 1.020 52 A HN 0.852 nan 8.150 nan 0.000 0.494 53 F N -1.045 118.949 119.950 0.074 0.000 2.686 53 F HA 0.722 5.250 4.527 0.001 0.000 0.311 53 F C -0.207 175.645 175.800 0.088 0.000 1.128 53 F CA -0.446 57.599 58.000 0.075 0.000 0.946 53 F CB 1.142 40.187 39.000 0.076 0.000 1.336 53 F HN 0.635 nan 8.300 nan 0.000 0.457 54 T N -0.373 114.302 114.554 0.202 0.000 2.888 54 T HA 0.662 5.012 4.350 0.001 0.000 0.284 54 T C -1.848 173.076 174.700 0.375 0.000 1.017 54 T CA -0.594 61.588 62.100 0.137 0.000 1.022 54 T CB 1.811 70.734 68.868 0.091 0.000 1.013 54 T HN 1.037 nan 8.240 nan 0.000 0.465 55 Y N 2.653 123.039 120.300 0.143 0.000 2.301 55 Y HA 0.344 4.894 4.550 0.001 0.000 0.325 55 Y C -0.358 175.592 175.900 0.083 0.000 1.103 55 Y CA -1.862 56.336 58.100 0.164 0.000 1.182 55 Y CB 1.314 39.939 38.460 0.275 0.000 1.139 55 Y HN 0.842 nan 8.280 nan 0.000 0.443 56 D N 2.172 122.410 120.400 -0.270 0.000 2.340 56 D HA 0.272 4.913 4.640 0.001 0.000 0.220 56 D C 1.632 177.621 176.300 -0.519 0.000 1.039 56 D CA 0.765 54.581 54.000 -0.306 0.000 0.866 56 D CB 0.309 41.029 40.800 -0.132 0.000 0.913 56 D HN 0.944 nan 8.370 nan 0.000 0.523 57 G N -0.352 107.734 108.800 -1.189 0.000 2.179 57 G HA2 -0.322 3.638 3.960 0.001 0.000 0.220 57 G HA3 -0.322 3.638 3.960 0.001 0.000 0.220 57 G C 0.951 175.674 174.900 -0.295 0.000 0.990 57 G CA 0.386 44.960 45.100 -0.877 0.000 0.646 57 G HN 0.388 nan 8.290 nan 0.000 0.517 58 Q N -0.964 118.742 119.800 -0.158 0.000 2.330 58 Q HA 0.336 4.677 4.340 0.001 0.000 0.254 58 Q C 0.500 176.584 176.000 0.141 0.000 0.777 58 Q CA 1.409 57.236 55.803 0.041 0.000 0.972 58 Q CB 1.278 30.013 28.738 -0.005 0.000 1.236 58 Q HN 0.435 nan 8.270 nan 0.000 0.508 59 T N -0.299 114.360 114.554 0.174 0.000 2.912 59 T HA 0.631 4.982 4.350 0.001 0.000 0.299 59 T C -1.349 173.549 174.700 0.329 0.000 1.052 59 T CA -0.556 61.658 62.100 0.190 0.000 0.996 59 T CB 2.113 71.039 68.868 0.096 0.000 1.070 59 T HN -0.155 nan 8.240 nan 0.000 0.465 60 V N 3.402 123.441 119.914 0.209 0.000 2.384 60 V HA 0.579 4.699 4.120 0.001 0.000 0.287 60 V C -0.075 176.099 176.094 0.133 0.000 1.020 60 V CA -0.775 61.639 62.300 0.190 0.000 0.850 60 V CB 1.321 33.120 31.823 -0.040 0.000 0.987 60 V HN 0.696 nan 8.190 nan 0.000 0.436 61 R N 3.031 123.643 120.500 0.186 0.000 2.686 61 R HA 0.926 5.267 4.340 0.001 0.000 0.286 61 R C -0.840 175.561 176.300 0.168 0.000 0.969 61 R CA -0.665 55.516 56.100 0.134 0.000 0.898 61 R CB 2.493 32.857 30.300 0.106 0.000 1.183 61 R HN 0.827 nan 8.270 nan 0.000 0.456 62 A N 3.126 126.019 122.820 0.121 0.000 2.594 62 A HA 0.525 4.846 4.320 0.001 0.000 0.296 62 A C -2.923 174.711 177.584 0.083 0.000 1.056 62 A CA -1.406 50.709 52.037 0.132 0.000 0.693 62 A CB 1.677 20.784 19.000 0.179 0.000 1.278 62 A HN 0.377 nan 8.150 nan 0.000 0.408 63 P HA 0.436 nan 4.420 nan 0.000 0.269 63 P C 0.426 177.754 177.300 0.047 0.000 1.215 63 P CA 0.472 63.603 63.100 0.052 0.000 0.780 63 P CB 1.089 32.818 31.700 0.048 0.000 0.898 64 G N 0.295 109.115 108.800 0.033 0.000 3.042 64 G HA2 0.307 4.268 3.960 0.001 0.000 0.278 64 G HA3 0.307 4.268 3.960 0.001 0.000 0.278 64 G C -1.285 173.627 174.900 0.020 0.000 1.371 64 G CA -0.327 44.789 45.100 0.026 0.000 1.009 64 G HN 0.423 nan 8.290 nan 0.000 0.523 65 D N -1.155 119.253 120.400 0.015 0.000 2.348 65 D HA 0.207 4.848 4.640 0.001 0.000 0.249 65 D C 1.532 177.836 176.300 0.007 0.000 1.110 65 D CA 0.093 54.100 54.000 0.011 0.000 0.967 65 D CB 1.711 42.516 40.800 0.008 0.000 1.139 65 D HN 0.240 nan 8.370 nan 0.000 0.466 66 S N 0.868 116.572 115.700 0.006 0.000 2.603 66 S HA 0.036 4.507 4.470 0.001 0.000 0.220 66 S C 0.607 175.208 174.600 0.001 0.000 0.967 66 S CA 0.009 58.212 58.200 0.004 0.000 0.920 66 S CB 0.311 63.514 63.200 0.004 0.000 0.773 66 S HN 0.389 nan 8.310 nan 0.000 0.529 67 Q N 0.635 120.435 119.800 -0.000 0.000 2.496 67 Q HA 0.507 4.847 4.340 0.001 0.000 0.286 67 Q C -3.182 172.814 176.000 -0.006 0.000 1.103 67 Q CA -2.650 53.151 55.803 -0.004 0.000 0.813 67 Q CB 0.289 29.024 28.738 -0.004 0.000 1.444 67 Q HN -0.028 nan 8.270 nan 0.000 0.443 68 P HA -0.119 nan 4.420 nan 0.000 0.257 68 P C -0.589 176.701 177.300 -0.016 0.000 1.162 68 P CA 0.851 63.941 63.100 -0.016 0.000 0.762 68 P CB 0.186 31.875 31.700 -0.020 0.000 0.753 69 Q N 2.071 121.860 119.800 -0.018 0.000 2.306 69 Q HA 0.592 4.933 4.340 0.001 0.000 0.269 69 Q C -0.845 175.141 176.000 -0.023 0.000 1.053 69 Q CA -1.222 54.572 55.803 -0.014 0.000 0.879 69 Q CB 2.023 30.757 28.738 -0.005 0.000 1.344 69 Q HN 0.088 nan 8.270 nan 0.000 0.464 70 K N 1.586 121.979 120.400 -0.012 0.000 2.450 70 K HA 0.393 4.714 4.320 0.001 0.000 0.257 70 K C -1.205 175.398 176.600 0.004 0.000 0.953 70 K CA -0.594 55.685 56.287 -0.014 0.000 0.844 70 K CB 1.042 33.540 32.500 -0.004 0.000 1.103 70 K HN 0.565 nan 8.250 nan 0.000 0.429 71 I N 3.410 123.975 120.570 -0.007 0.000 2.339 71 I HA 0.317 4.488 4.170 0.001 0.000 0.290 71 I C -0.166 175.971 176.117 0.034 0.000 0.994 71 I CA -0.513 60.795 61.300 0.013 0.000 1.191 71 I CB 1.154 39.147 38.000 -0.011 0.000 1.343 71 I HN 0.735 nan 8.210 nan 0.000 0.458 72 E N 7.146 127.393 120.200 0.079 0.000 2.171 72 E HA 0.717 5.068 4.350 0.001 0.000 0.271 72 E C -1.502 175.124 176.600 0.043 0.000 0.916 72 E CA -0.566 55.891 56.400 0.096 0.000 0.774 72 E CB 1.828 31.638 29.700 0.184 0.000 1.128 72 E HN 0.561 nan 8.360 nan 0.000 0.403 73 I N 2.624 123.149 120.570 -0.075 0.000 2.582 73 I HA 0.238 4.409 4.170 0.001 0.000 0.292 73 I C -0.532 175.346 176.117 -0.398 0.000 1.066 73 I CA -0.886 60.273 61.300 -0.236 0.000 1.053 73 I CB 2.253 40.195 38.000 -0.096 0.000 1.241 73 I HN 0.346 nan 8.210 nan 0.000 0.421 74 S N 6.173 121.345 115.700 -0.880 0.000 2.433 74 S HA 0.806 5.277 4.470 0.001 0.000 0.310 74 S C -0.770 173.568 174.600 -0.436 0.000 1.097 74 S CA -0.428 57.229 58.200 -0.905 0.000 1.103 74 S CB 0.299 62.484 63.200 -1.692 0.000 0.992 74 S HN 0.451 nan 8.310 nan 0.000 0.469 75 F N 2.157 121.904 119.950 -0.338 0.000 2.726 75 F HA 0.984 5.512 4.527 0.001 0.000 0.324 75 F C -0.605 175.085 175.800 -0.184 0.000 1.140 75 F CA -1.186 56.673 58.000 -0.236 0.000 0.964 75 F CB 0.955 39.842 39.000 -0.189 0.000 1.399 75 F HN 0.667 nan 8.300 nan 0.000 0.491 76 A N -0.144 122.695 122.820 0.033 0.000 2.606 76 A HA 0.942 5.263 4.320 0.001 0.000 0.293 76 A C -0.817 176.578 177.584 -0.315 0.000 1.082 76 A CA -0.281 51.622 52.037 -0.223 0.000 0.685 76 A CB 1.331 20.211 19.000 -0.200 0.000 1.284 76 A HN 1.945 nan 8.150 nan 0.000 0.408 77 G N -0.071 108.193 108.800 -0.893 0.000 2.645 77 G HA2 0.630 4.591 3.960 0.001 0.000 0.292 77 G HA3 0.630 4.591 3.960 0.001 0.000 0.292 77 G C -1.630 172.798 174.900 -0.787 0.000 1.415 77 G CA -0.746 43.855 45.100 -0.833 0.000 0.785 77 G HN 0.708 nan 8.290 nan 0.000 0.483 78 K N -0.670 119.600 120.400 -0.216 0.000 2.328 78 K HA 0.639 4.959 4.320 0.001 0.000 0.246 78 K C -0.898 175.895 176.600 0.321 0.000 0.955 78 K CA -0.851 55.459 56.287 0.038 0.000 0.817 78 K CB 3.038 35.564 32.500 0.043 0.000 1.208 78 K HN 0.218 nan 8.250 nan 0.000 0.432 79 V N 2.088 122.212 119.914 0.349 0.000 2.389 79 V HA 0.061 4.181 4.120 0.001 0.000 0.264 79 V C 0.514 176.786 176.094 0.297 0.000 1.049 79 V CA -0.234 62.298 62.300 0.387 0.000 0.932 79 V CB 0.922 32.955 31.823 0.350 0.000 1.011 79 V HN 0.817 nan 8.190 nan 0.000 0.475 80 S N 3.018 118.912 115.700 0.323 0.000 2.563 80 S HA -0.044 4.427 4.470 0.001 0.000 0.269 80 S C 0.962 175.734 174.600 0.287 0.000 1.364 80 S CA 0.070 58.433 58.200 0.272 0.000 1.010 80 S CB 0.501 63.865 63.200 0.274 0.000 0.877 80 S HN 0.875 nan 8.310 nan 0.000 0.549 81 D N 0.077 120.602 120.400 0.208 0.000 2.379 81 D HA 0.204 4.845 4.640 0.001 0.000 0.208 81 D C -0.016 176.389 176.300 0.175 0.000 1.065 81 D CA 0.204 54.327 54.000 0.205 0.000 0.848 81 D CB 0.271 41.150 40.800 0.132 0.000 0.949 81 D HN 0.474 nan 8.370 nan 0.000 0.509 82 S N -0.458 115.309 115.700 0.111 0.000 2.532 82 S HA 0.375 4.846 4.470 0.001 0.000 0.301 82 S C -0.062 174.383 174.600 -0.259 0.000 1.083 82 S CA -0.901 57.286 58.200 -0.022 0.000 1.025 82 S CB 1.803 64.989 63.200 -0.023 0.000 1.056 82 S HN 0.113 nan 8.310 nan 0.000 0.494 83 L N 3.443 124.361 121.223 -0.508 0.000 2.737 83 L HA 0.232 4.573 4.340 0.001 0.000 0.288 83 L C -0.397 176.118 176.870 -0.590 0.000 1.185 83 L CA 0.658 54.846 54.840 -1.087 0.000 1.127 83 L CB -0.999 40.678 42.059 -0.637 0.000 1.432 83 L HN 0.976 nan 8.230 nan 0.000 0.449 84 S N 2.308 117.750 115.700 -0.431 0.000 2.596 84 S HA 0.614 5.085 4.470 0.001 0.000 0.305 84 S C -0.033 174.729 174.600 0.270 0.000 1.086 84 S CA -0.414 57.807 58.200 0.035 0.000 0.909 84 S CB 0.949 64.165 63.200 0.027 0.000 1.106 84 S HN 1.201 nan 8.310 nan 0.000 0.450 85 G N 3.120 112.150 108.800 0.383 0.000 2.561 85 G HA2 -0.212 3.749 3.960 0.001 0.000 0.289 85 G HA3 -0.212 3.749 3.960 0.001 0.000 0.289 85 G C -0.190 175.017 174.900 0.512 0.000 1.169 85 G CA 0.143 45.545 45.100 0.503 0.000 0.980 85 G HN 1.702 nan 8.290 nan 0.000 0.550 86 I N 2.628 123.485 120.570 0.477 0.000 2.330 86 I HA 0.683 4.854 4.170 0.001 0.000 0.286 86 I C 0.046 176.403 176.117 0.400 0.000 1.025 86 I CA -0.839 60.672 61.300 0.351 0.000 1.197 86 I CB -0.166 38.023 38.000 0.316 0.000 1.358 86 I HN 0.708 nan 8.210 nan 0.000 0.467 87 Y N 6.691 127.108 120.300 0.194 0.000 2.833 87 Y HA 0.593 5.144 4.550 0.001 0.000 0.319 87 Y C -1.833 174.202 175.900 0.226 0.000 1.254 87 Y CA -1.362 56.867 58.100 0.215 0.000 1.138 87 Y CB 0.990 39.565 38.460 0.192 0.000 1.352 87 Y HN 0.398 nan 8.280 nan 0.000 0.546 88 Y N 1.393 121.792 120.300 0.164 0.000 2.352 88 Y HA 0.765 5.316 4.550 0.001 0.000 0.339 88 Y C -0.852 175.131 175.900 0.140 0.000 0.992 88 Y CA -1.263 56.854 58.100 0.028 0.000 1.100 88 Y CB 1.370 39.880 38.460 0.084 0.000 1.192 88 Y HN 0.926 nan 8.280 nan 0.000 0.458 89 A N 4.212 126.758 122.820 -0.457 0.000 2.318 89 A HA 0.859 5.180 4.320 0.001 0.000 0.324 89 A C 0.228 177.602 177.584 -0.349 0.000 1.170 89 A CA 0.106 52.041 52.037 -0.169 0.000 0.810 89 A CB 0.409 19.380 19.000 -0.048 0.000 1.198 89 A HN 1.748 nan 8.150 nan 0.000 0.484 90 G N 1.399 110.145 108.800 -0.091 0.000 2.549 90 G HA2 0.036 3.997 3.960 0.001 0.000 0.404 90 G HA3 0.036 3.997 3.960 0.001 0.000 0.404 90 G C -0.125 174.814 174.900 0.064 0.000 1.292 90 G CA 0.201 45.268 45.100 -0.056 0.000 0.935 90 G HN 0.926 nan 8.290 nan 0.000 0.512 91 R N -0.377 120.178 120.500 0.092 0.000 2.151 91 R HA 0.445 4.785 4.340 0.001 0.000 0.121 91 R C 2.415 178.827 176.300 0.186 0.000 1.786 91 R CA 0.897 57.093 56.100 0.159 0.000 1.534 91 R CB -0.934 29.422 30.300 0.092 0.000 1.290 91 R HN 0.645 nan 8.270 nan 0.000 0.464 92 E N 1.259 121.523 120.200 0.106 0.000 2.019 92 E HA -0.200 4.151 4.350 0.001 0.000 0.208 92 E C 0.389 177.058 176.600 0.115 0.000 1.030 92 E CA 1.445 57.899 56.400 0.091 0.000 0.856 92 E CB -0.418 29.310 29.700 0.047 0.000 0.781 92 E HN 0.172 nan 8.360 nan 0.000 0.471 93 N N 1.440 120.180 118.700 0.067 0.000 3.228 93 N HA 0.165 4.905 4.740 0.001 0.000 0.289 93 N C -0.439 175.070 175.510 -0.003 0.000 1.419 93 N CA 0.153 53.227 53.050 0.041 0.000 1.088 93 N CB 0.358 38.830 38.487 -0.026 0.000 1.357 93 N HN 0.243 nan 8.380 nan 0.000 0.504 94 G N 0.951 109.780 108.800 0.049 0.000 2.531 94 G HA2 0.566 4.526 3.960 0.001 0.000 0.253 94 G HA3 0.566 4.526 3.960 0.001 0.000 0.253 94 G C -0.022 174.679 174.900 -0.332 0.000 1.439 94 G CA -0.357 44.576 45.100 -0.279 0.000 1.056 94 G HN 0.471 nan 8.290 nan 0.000 0.555 95 M N -1.224 117.994 119.600 -0.636 0.000 2.470 95 M HA 0.529 5.009 4.480 0.001 0.000 0.285 95 M C -1.504 174.566 176.300 -0.384 0.000 1.213 95 M CA -0.989 54.097 55.300 -0.356 0.000 0.901 95 M CB 2.244 34.694 32.600 -0.251 0.000 1.718 95 M HN 0.141 nan 8.290 nan 0.000 0.469 96 I N 3.005 123.477 120.570 -0.164 0.000 2.474 96 I HA 0.539 4.709 4.170 0.001 0.000 0.287 96 I C 0.094 176.029 176.117 -0.303 0.000 1.048 96 I CA 0.361 61.553 61.300 -0.179 0.000 1.383 96 I CB 0.982 38.791 38.000 -0.319 0.000 1.412 96 I HN 0.949 nan 8.210 nan 0.000 0.531 97 T N 2.230 116.532 114.554 -0.419 0.000 2.787 97 T HA 0.682 5.032 4.350 0.001 0.000 0.297 97 T C -0.229 174.206 174.700 -0.442 0.000 1.221 97 T CA -0.881 60.955 62.100 -0.439 0.000 1.006 97 T CB 2.208 70.843 68.868 -0.389 0.000 1.328 97 T HN 0.669 nan 8.240 nan 0.000 0.509 98 T N -1.357 113.027 114.554 -0.283 0.000 2.906 98 T HA 0.730 5.080 4.350 0.001 0.000 0.295 98 T C -1.456 173.287 174.700 0.071 0.000 1.075 98 T CA -0.738 61.231 62.100 -0.218 0.000 1.005 98 T CB 1.892 70.317 68.868 -0.739 0.000 1.136 98 T HN 1.040 nan 8.240 nan 0.000 0.498 99 H N 0.935 119.981 119.070 -0.039 0.000 3.221 99 H HA 0.406 4.962 4.556 0.001 0.000 0.324 99 H C -1.008 174.416 175.328 0.159 0.000 1.212 99 H CA -1.047 55.082 56.048 0.135 0.000 1.624 99 H CB 0.236 30.228 29.762 0.385 0.000 1.899 99 H HN 0.668 nan 8.280 nan 0.000 0.538 100 F N 1.203 121.093 119.950 -0.099 0.000 2.698 100 F HA 0.039 4.567 4.527 0.001 0.000 0.295 100 F C 1.041 176.787 175.800 -0.089 0.000 1.124 100 F CA -0.353 57.625 58.000 -0.037 0.000 1.426 100 F CB 0.437 39.465 39.000 0.046 0.000 1.120 100 F HN 0.436 nan 8.300 nan 0.000 0.583 101 E N 1.997 122.120 120.200 -0.128 0.000 3.624 101 E HA 0.044 4.395 4.350 0.001 0.000 0.247 101 E C 0.275 176.815 176.600 -0.100 0.000 0.869 101 E CA 0.654 57.042 56.400 -0.019 0.000 0.946 101 E CB -0.281 29.329 29.700 -0.150 0.000 0.880 101 E HN 0.474 nan 8.360 nan 0.000 0.578 102 A N 2.858 125.531 122.820 -0.244 0.000 4.632 102 A HA -0.135 4.186 4.320 0.001 0.000 0.234 102 A C 0.499 177.889 177.584 -0.324 0.000 2.421 102 A CA 0.350 51.936 52.037 -0.752 0.000 0.727 102 A CB -1.465 17.206 19.000 -0.549 0.000 0.873 102 A HN 1.237 nan 8.150 nan 0.000 0.295 103 T N -2.701 111.719 114.554 -0.224 0.000 3.630 103 T HA 0.632 4.982 4.350 0.001 0.000 0.238 103 T C -0.561 174.105 174.700 -0.057 0.000 1.195 103 T CA 0.769 62.812 62.100 -0.096 0.000 1.433 103 T CB 0.441 69.243 68.868 -0.111 0.000 0.940 103 T HN 0.392 nan 8.240 nan 0.000 0.641 104 D N 0.750 121.152 120.400 0.003 0.000 2.441 104 D HA 0.391 5.032 4.640 0.001 0.000 0.210 104 D C 2.126 178.389 176.300 -0.061 0.000 1.102 104 D CA 0.243 54.283 54.000 0.067 0.000 0.840 104 D CB 0.285 41.215 40.800 0.218 0.000 0.990 104 D HN 0.550 nan 8.370 nan 0.000 0.505 105 A N 1.681 124.237 122.820 -0.441 0.000 1.978 105 A HA -0.218 4.102 4.320 0.001 0.000 0.220 105 A C 2.067 179.204 177.584 -0.745 0.000 1.170 105 A CA 1.179 52.464 52.037 -1.253 0.000 0.636 105 A CB -0.526 17.775 19.000 -1.165 0.000 0.810 105 A HN 0.253 nan 8.150 nan 0.000 0.448 106 R N -0.259 119.962 120.500 -0.466 0.000 2.341 106 R HA -0.041 4.300 4.340 0.001 0.000 0.213 106 R C 1.371 177.547 176.300 -0.207 0.000 1.082 106 R CA 1.254 57.126 56.100 -0.380 0.000 1.017 106 R CB -0.443 29.723 30.300 -0.223 0.000 0.860 106 R HN 0.510 nan 8.270 nan 0.000 0.473 107 R N -0.011 120.436 120.500 -0.089 0.000 2.276 107 R HA 0.163 4.504 4.340 0.001 0.000 0.196 107 R C 1.954 178.377 176.300 0.205 0.000 0.961 107 R CA 0.705 56.854 56.100 0.082 0.000 1.024 107 R CB 0.035 30.432 30.300 0.162 0.000 0.940 107 R HN 0.260 nan 8.270 nan 0.000 0.480 108 M N -0.074 119.619 119.600 0.156 0.000 2.615 108 M HA 0.185 4.666 4.480 0.001 0.000 0.262 108 M C -0.721 175.818 176.300 0.399 0.000 1.198 108 M CA 0.831 56.339 55.300 0.346 0.000 1.165 108 M CB 0.845 33.691 32.600 0.411 0.000 1.310 108 M HN -0.053 nan 8.290 nan 0.000 0.494 109 F N -0.852 119.011 119.950 -0.145 0.000 2.688 109 F HA 0.669 5.196 4.527 0.001 0.000 0.308 109 F C -3.159 172.381 175.800 -0.435 0.000 1.117 109 F CA -2.223 55.513 58.000 -0.439 0.000 0.976 109 F CB 0.103 38.998 39.000 -0.174 0.000 1.291 109 F HN -0.198 nan 8.300 nan 0.000 0.439 110 P HA 0.291 nan 4.420 nan 0.000 0.271 110 P C -0.723 176.416 177.300 -0.269 0.000 1.220 110 P CA 0.124 62.979 63.100 -0.409 0.000 0.768 110 P CB 1.065 32.536 31.700 -0.381 0.000 0.848 111 C N 0.305 119.429 119.300 -0.293 0.000 3.275 111 C HA 0.348 4.809 4.460 0.001 0.000 0.340 111 C C -0.287 174.664 174.990 -0.064 0.000 1.366 111 C CA -0.875 58.076 59.018 -0.112 0.000 1.227 111 C CB 0.591 27.979 27.740 -0.588 0.000 1.512 111 C HN 0.289 nan 8.230 nan 0.000 0.461 112 V N 2.042 122.014 119.914 0.097 0.000 2.276 112 V HA 0.179 4.300 4.120 0.001 0.000 0.249 112 V C 0.517 176.633 176.094 0.038 0.000 1.160 112 V CA 0.801 63.104 62.300 0.005 0.000 1.042 112 V CB -0.100 31.695 31.823 -0.046 0.000 1.224 112 V HN 0.874 nan 8.190 nan 0.000 0.496 113 D N 3.588 123.979 120.400 -0.014 0.000 2.767 113 D HA 0.046 4.687 4.640 0.001 0.000 0.231 113 D C -0.003 176.415 176.300 0.197 0.000 1.105 113 D CA 0.288 54.298 54.000 0.017 0.000 1.024 113 D CB -0.453 40.294 40.800 -0.088 0.000 1.123 113 D HN 0.754 nan 8.370 nan 0.000 0.470 114 H N 0.208 119.380 119.070 0.170 0.000 2.759 114 H HA 0.295 4.851 4.556 0.001 0.000 0.354 114 H C -1.782 173.747 175.328 0.335 0.000 1.074 114 H CA -1.657 54.578 56.048 0.311 0.000 1.226 114 H CB 2.164 32.092 29.762 0.278 0.000 1.648 114 H HN -0.094 nan 8.280 nan 0.000 0.529 115 P HA -0.155 nan 4.420 nan 0.000 0.219 115 P C 0.740 178.196 177.300 0.261 0.000 1.146 115 P CA 1.444 64.640 63.100 0.160 0.000 0.808 115 P CB 0.203 31.688 31.700 -0.359 0.000 0.779 116 A N -1.784 121.366 122.820 0.549 0.000 2.208 116 A HA -0.006 4.315 4.320 0.001 0.000 0.209 116 A C 0.375 177.962 177.584 0.005 0.000 1.161 116 A CA 0.191 52.354 52.037 0.211 0.000 0.782 116 A CB -0.923 18.160 19.000 0.138 0.000 0.816 116 A HN 0.113 nan 8.150 nan 0.000 0.477 117 Y N 1.403 121.812 120.300 0.181 0.000 2.931 117 Y HA 0.322 4.872 4.550 0.001 0.000 0.330 117 Y C 0.452 176.470 175.900 0.196 0.000 1.115 117 Y CA -0.791 57.389 58.100 0.133 0.000 1.283 117 Y CB 0.239 38.769 38.460 0.117 0.000 1.215 117 Y HN 0.081 nan 8.280 nan 0.000 0.534 118 K N 1.708 122.251 120.400 0.239 0.000 2.138 118 K HA 0.823 5.144 4.320 0.001 0.000 0.251 118 K C -0.207 176.543 176.600 0.250 0.000 1.015 118 K CA -0.427 56.019 56.287 0.265 0.000 0.917 118 K CB 0.968 33.579 32.500 0.185 0.000 1.021 118 K HN 0.559 nan 8.250 nan 0.000 0.485 119 A N 0.374 123.359 122.820 0.275 0.000 2.515 119 A HA 0.386 4.707 4.320 0.001 0.000 0.292 119 A C -1.478 176.124 177.584 0.030 0.000 1.065 119 A CA -0.783 51.314 52.037 0.100 0.000 0.641 119 A CB 0.809 19.847 19.000 0.064 0.000 1.306 119 A HN 0.308 nan 8.150 nan 0.000 0.441 120 V N 0.418 120.275 119.914 -0.095 0.000 2.607 120 V HA 0.535 4.656 4.120 0.001 0.000 0.289 120 V C -1.033 174.916 176.094 -0.241 0.000 1.053 120 V CA 0.221 62.497 62.300 -0.040 0.000 0.996 120 V CB 0.712 32.520 31.823 -0.026 0.000 0.995 120 V HN 0.581 nan 8.190 nan 0.000 0.476 121 F N 2.827 122.873 119.950 0.159 0.000 2.445 121 F HA 0.654 5.182 4.527 0.001 0.000 0.348 121 F C 0.389 176.242 175.800 0.088 0.000 1.125 121 F CA -0.539 57.544 58.000 0.138 0.000 0.983 121 F CB 1.603 40.662 39.000 0.098 0.000 1.198 121 F HN 0.491 nan 8.300 nan 0.000 0.436 122 A N 5.673 128.607 122.820 0.191 0.000 2.444 122 A HA 0.670 4.991 4.320 0.001 0.000 0.332 122 A C -0.472 177.203 177.584 0.152 0.000 1.430 122 A CA -0.479 51.647 52.037 0.148 0.000 0.975 122 A CB -0.249 18.804 19.000 0.088 0.000 1.147 122 A HN 0.536 nan 8.150 nan 0.000 0.524 123 I N 1.836 122.522 120.570 0.194 0.000 2.428 123 I HA 0.491 4.662 4.170 0.001 0.000 0.296 123 I C 0.279 176.556 176.117 0.266 0.000 0.985 123 I CA 0.155 61.569 61.300 0.189 0.000 1.260 123 I CB 1.274 39.376 38.000 0.170 0.000 1.389 123 I HN 0.467 nan 8.210 nan 0.000 0.484 124 T N 5.243 119.903 114.554 0.177 0.000 2.952 124 T HA 0.589 4.940 4.350 0.001 0.000 0.305 124 T C -0.449 174.330 174.700 0.133 0.000 1.064 124 T CA -0.542 61.634 62.100 0.127 0.000 1.008 124 T CB 2.337 71.234 68.868 0.048 0.000 1.078 124 T HN 0.486 nan 8.240 nan 0.000 0.459 125 V N 0.216 120.218 119.914 0.146 0.000 3.001 125 V HA 0.972 5.093 4.120 0.001 0.000 0.314 125 V C -1.035 175.138 176.094 0.132 0.000 1.099 125 V CA -0.931 61.486 62.300 0.196 0.000 0.989 125 V CB 2.084 34.098 31.823 0.317 0.000 1.040 125 V HN 0.616 nan 8.190 nan 0.000 0.434 126 V N 5.479 125.489 119.914 0.160 0.000 2.376 126 V HA 0.661 4.782 4.120 0.001 0.000 0.287 126 V C -0.227 175.953 176.094 0.144 0.000 1.015 126 V CA -0.252 62.112 62.300 0.107 0.000 0.834 126 V CB 1.001 32.859 31.823 0.059 0.000 1.001 126 V HN 1.008 nan 8.190 nan 0.000 0.428 127 I N 0.693 121.323 120.570 0.100 0.000 3.343 127 I HA 0.724 4.895 4.170 0.001 0.000 0.315 127 I C -0.590 175.554 176.117 0.046 0.000 1.153 127 I CA -1.269 60.067 61.300 0.059 0.000 0.952 127 I CB 1.852 39.864 38.000 0.021 0.000 1.287 127 I HN 0.382 nan 8.210 nan 0.000 0.472 128 D N 2.191 122.594 120.400 0.004 0.000 2.488 128 D HA 0.079 4.719 4.640 0.001 0.000 0.238 128 D C 1.169 177.566 176.300 0.162 0.000 1.138 128 D CA 0.254 54.304 54.000 0.083 0.000 0.873 128 D CB 0.828 41.700 40.800 0.119 0.000 1.183 128 D HN 0.605 nan 8.370 nan 0.000 0.458 129 K N 1.331 121.803 120.400 0.120 0.000 2.281 129 K HA -0.188 4.133 4.320 0.001 0.000 0.203 129 K C 0.460 177.130 176.600 0.117 0.000 1.046 129 K CA 1.205 57.555 56.287 0.104 0.000 0.938 129 K CB 0.016 32.557 32.500 0.069 0.000 0.737 129 K HN 0.367 nan 8.250 nan 0.000 0.458 130 D N -0.656 119.834 120.400 0.150 0.000 2.328 130 D HA -0.035 4.606 4.640 0.001 0.000 0.221 130 D C -0.432 175.865 176.300 -0.005 0.000 1.072 130 D CA -0.115 53.928 54.000 0.072 0.000 0.850 130 D CB -0.202 40.615 40.800 0.029 0.000 0.922 130 D HN 0.190 nan 8.370 nan 0.000 0.516 131 Y N 0.520 120.826 120.300 0.010 0.000 2.487 131 Y HA 0.447 4.997 4.550 0.001 0.000 0.337 131 Y C 0.239 176.172 175.900 0.054 0.000 1.076 131 Y CA -0.955 57.139 58.100 -0.010 0.000 1.115 131 Y CB 1.490 39.929 38.460 -0.033 0.000 1.235 131 Y HN -0.248 nan 8.280 nan 0.000 0.468 132 D N 0.469 121.002 120.400 0.223 0.000 2.299 132 D HA 0.714 5.355 4.640 0.001 0.000 0.243 132 D C -1.059 175.482 176.300 0.401 0.000 0.982 132 D CA -0.497 53.701 54.000 0.330 0.000 0.924 132 D CB 1.912 43.010 40.800 0.496 0.000 1.238 132 D HN 0.598 nan 8.370 nan 0.000 0.484 133 A N 0.691 123.734 122.820 0.371 0.000 2.374 133 A HA 0.758 5.079 4.320 0.001 0.000 0.317 133 A C -1.235 176.578 177.584 0.381 0.000 1.094 133 A CA -0.446 51.816 52.037 0.376 0.000 0.765 133 A CB 0.820 20.034 19.000 0.358 0.000 1.268 133 A HN 0.362 nan 8.150 nan 0.000 0.438 134 I N 0.364 121.041 120.570 0.179 0.000 2.619 134 I HA 0.688 4.859 4.170 0.001 0.000 0.292 134 I C 0.334 176.270 176.117 -0.302 0.000 1.100 134 I CA 0.081 61.323 61.300 -0.096 0.000 1.043 134 I CB 1.952 39.718 38.000 -0.391 0.000 1.239 134 I HN 0.655 nan 8.210 nan 0.000 0.420 135 S N 2.494 117.862 115.700 -0.554 0.000 2.998 135 S HA 0.478 4.949 4.470 0.001 0.000 0.321 135 S C 0.612 175.047 174.600 -0.274 0.000 1.171 135 S CA -0.531 57.282 58.200 -0.644 0.000 0.882 135 S CB 1.022 63.291 63.200 -1.551 0.000 1.301 135 S HN 0.620 nan 8.310 nan 0.000 0.629 136 N N 0.369 118.940 118.700 -0.214 0.000 2.216 136 N HA 0.023 4.763 4.740 0.001 0.000 0.183 136 N C 0.303 175.766 175.510 -0.079 0.000 1.017 136 N CA 1.084 54.092 53.050 -0.071 0.000 0.861 136 N CB -0.164 38.309 38.487 -0.023 0.000 0.986 136 N HN 0.432 nan 8.380 nan 0.000 0.428 137 M N 0.492 120.035 119.600 -0.095 0.000 2.706 137 M HA 0.446 4.926 4.480 0.001 0.000 0.304 137 M C -2.348 174.051 176.300 0.165 0.000 1.217 137 M CA -2.485 52.824 55.300 0.014 0.000 0.922 137 M CB 0.487 33.117 32.600 0.049 0.000 1.637 137 M HN -0.283 nan 8.290 nan 0.000 0.492 138 P HA 0.298 nan 4.420 nan 0.000 0.274 138 P C -2.556 174.940 177.300 0.327 0.000 1.237 138 P CA -1.022 62.219 63.100 0.235 0.000 0.793 138 P CB -0.518 31.252 31.700 0.116 0.000 0.977 139 P HA 0.127 nan 4.420 nan 0.000 0.276 139 P C 0.473 177.756 177.300 -0.029 0.000 1.230 139 P CA -0.021 63.065 63.100 -0.023 0.000 0.776 139 P CB 0.573 32.198 31.700 -0.124 0.000 0.888 140 K N 3.142 123.501 120.400 -0.068 0.000 2.262 140 K HA 0.090 4.411 4.320 0.001 0.000 0.200 140 K C 0.395 176.959 176.600 -0.060 0.000 1.049 140 K CA 0.538 56.804 56.287 -0.036 0.000 0.979 140 K CB 0.362 32.854 32.500 -0.013 0.000 0.773 140 K HN 0.245 nan 8.250 nan 0.000 0.474 141 R N 0.510 120.947 120.500 -0.105 0.000 2.563 141 R HA 0.268 4.609 4.340 0.001 0.000 0.262 141 R C -1.947 174.285 176.300 -0.113 0.000 1.128 141 R CA -0.572 55.476 56.100 -0.086 0.000 0.969 141 R CB 1.181 31.443 30.300 -0.063 0.000 1.251 141 R HN 0.008 nan 8.270 nan 0.000 0.442 142 I N 3.633 124.157 120.570 -0.077 0.000 2.439 142 I HA 0.360 4.531 4.170 0.001 0.000 0.283 142 I C -0.584 175.511 176.117 -0.036 0.000 1.023 142 I CA -0.608 60.652 61.300 -0.068 0.000 1.100 142 I CB 1.652 39.622 38.000 -0.051 0.000 1.238 142 I HN 0.582 nan 8.210 nan 0.000 0.445 143 E N 5.579 125.761 120.200 -0.030 0.000 2.145 143 E HA 0.517 4.868 4.350 0.001 0.000 0.270 143 E C -0.995 175.604 176.600 -0.001 0.000 0.906 143 E CA -0.560 55.831 56.400 -0.014 0.000 0.761 143 E CB 3.212 32.903 29.700 -0.015 0.000 1.116 143 E HN 0.209 nan 8.360 nan 0.000 0.408 144 V N 2.669 122.586 119.914 0.006 0.000 2.407 144 V HA 0.291 4.412 4.120 0.001 0.000 0.291 144 V C 0.306 176.409 176.094 0.015 0.000 1.018 144 V CA -0.213 62.096 62.300 0.015 0.000 0.842 144 V CB 1.542 33.379 31.823 0.022 0.000 0.996 144 V HN 0.634 nan 8.190 nan 0.000 0.426 145 S N 2.754 118.463 115.700 0.016 0.000 3.609 145 S HA 0.188 4.658 4.470 0.001 0.000 0.182 145 S C 1.403 176.014 174.600 0.019 0.000 0.942 145 S CA 0.003 58.212 58.200 0.015 0.000 1.310 145 S CB 0.359 63.566 63.200 0.012 0.000 1.020 145 S HN 0.826 nan 8.310 nan 0.000 0.841 146 E N 0.404 120.615 120.200 0.019 0.000 2.190 146 E HA 0.064 4.415 4.350 0.001 0.000 0.191 146 E C 0.270 176.887 176.600 0.028 0.000 0.978 146 E CA 0.479 56.892 56.400 0.021 0.000 0.839 146 E CB 0.299 30.010 29.700 0.018 0.000 0.787 146 E HN 0.138 nan 8.360 nan 0.000 0.473 147 R N 0.154 120.670 120.500 0.028 0.000 2.950 147 R HA 0.391 4.732 4.340 0.001 0.000 0.253 147 R C -0.741 175.581 176.300 0.037 0.000 1.168 147 R CA -0.764 55.357 56.100 0.035 0.000 1.014 147 R CB 1.297 31.616 30.300 0.032 0.000 1.228 147 R HN -0.138 nan 8.270 nan 0.000 0.487 148 K N 1.299 121.726 120.400 0.047 0.000 2.307 148 K HA 0.353 4.674 4.320 0.001 0.000 0.263 148 K C -1.212 175.408 176.600 0.034 0.000 0.973 148 K CA -0.437 55.876 56.287 0.043 0.000 0.846 148 K CB 1.439 33.978 32.500 0.065 0.000 1.100 148 K HN 0.245 nan 8.250 nan 0.000 0.438 149 V N 4.768 124.688 119.914 0.010 0.000 2.398 149 V HA 0.336 4.457 4.120 0.001 0.000 0.286 149 V C -0.569 175.493 176.094 -0.052 0.000 1.026 149 V CA -0.867 61.429 62.300 -0.007 0.000 0.868 149 V CB 1.583 33.400 31.823 -0.010 0.000 0.982 149 V HN 0.510 nan 8.190 nan 0.000 0.443 150 V N 5.347 125.206 119.914 -0.091 0.000 2.407 150 V HA 0.424 4.545 4.120 0.001 0.000 0.291 150 V C -0.202 175.668 176.094 -0.372 0.000 1.018 150 V CA -0.633 61.512 62.300 -0.259 0.000 0.842 150 V CB 1.692 33.329 31.823 -0.311 0.000 0.996 150 V HN 0.971 nan 8.190 nan 0.000 0.426 151 E N 4.869 124.852 120.200 -0.362 0.000 2.151 151 E HA 0.577 4.927 4.350 0.001 0.000 0.275 151 E C -1.394 174.987 176.600 -0.366 0.000 0.936 151 E CA -0.534 55.715 56.400 -0.252 0.000 0.777 151 E CB 1.894 31.534 29.700 -0.100 0.000 1.108 151 E HN 0.445 nan 8.360 nan 0.000 0.401 152 F N 1.379 121.346 119.950 0.029 0.000 2.397 152 F HA 0.199 4.727 4.527 0.001 0.000 0.331 152 F C 1.123 176.938 175.800 0.025 0.000 1.090 152 F CA -0.733 57.285 58.000 0.029 0.000 1.065 152 F CB 1.001 40.022 39.000 0.035 0.000 1.184 152 F HN 0.296 nan 8.300 nan 0.000 0.499 153 Q N 0.921 120.850 119.800 0.214 0.000 2.474 153 Q HA 0.050 4.390 4.340 0.001 0.000 0.256 153 Q C -0.791 175.282 176.000 0.121 0.000 1.048 153 Q CA -0.386 55.487 55.803 0.116 0.000 0.922 153 Q CB 0.369 29.153 28.738 0.077 0.000 1.288 153 Q HN 0.448 nan 8.270 nan 0.000 0.484 154 D N 1.274 121.719 120.400 0.075 0.000 2.423 154 D HA 0.015 4.656 4.640 0.001 0.000 0.238 154 D C -0.040 176.299 176.300 0.066 0.000 1.142 154 D CA 0.298 54.343 54.000 0.076 0.000 0.884 154 D CB 0.585 41.407 40.800 0.036 0.000 1.199 154 D HN 0.491 nan 8.370 nan 0.000 0.438 155 T N -1.046 113.576 114.554 0.115 0.000 2.902 155 T HA 0.606 4.957 4.350 0.001 0.000 0.280 155 T C -2.421 172.334 174.700 0.092 0.000 0.992 155 T CA -1.700 60.457 62.100 0.095 0.000 1.015 155 T CB 1.420 70.415 68.868 0.213 0.000 1.044 155 T HN -0.002 nan 8.240 nan 0.000 0.520 156 P HA 0.312 nan 4.420 nan 0.000 0.277 156 P C -0.254 177.199 177.300 0.255 0.000 1.276 156 P CA -0.842 62.303 63.100 0.075 0.000 0.788 156 P CB 0.394 32.168 31.700 0.124 0.000 1.114 157 R N 0.830 121.455 120.500 0.208 0.000 2.484 157 R HA 0.310 4.651 4.340 0.001 0.000 0.293 157 R C 0.450 176.999 176.300 0.416 0.000 1.023 157 R CA 0.612 56.872 56.100 0.266 0.000 1.037 157 R CB -0.402 30.001 30.300 0.172 0.000 0.951 157 R HN 0.586 nan 8.270 nan 0.000 0.418 158 M N -1.312 118.538 119.600 0.417 0.000 2.924 158 M HA 0.444 4.925 4.480 0.001 0.000 0.271 158 M C -1.092 175.386 176.300 0.297 0.000 1.280 158 M CA -1.014 54.477 55.300 0.318 0.000 0.813 158 M CB 1.966 34.811 32.600 0.409 0.000 1.658 158 M HN 0.177 nan 8.290 nan 0.000 0.467 159 S N 0.852 116.617 115.700 0.108 0.000 2.586 159 S HA 0.304 4.775 4.470 0.001 0.000 0.274 159 S C 1.176 175.800 174.600 0.041 0.000 1.281 159 S CA -0.087 58.195 58.200 0.137 0.000 1.035 159 S CB 1.497 64.765 63.200 0.113 0.000 0.962 159 S HN 0.839 nan 8.310 nan 0.000 0.512 160 T N -0.023 114.595 114.554 0.107 0.000 2.759 160 T HA -0.242 4.109 4.350 0.001 0.000 0.269 160 T C 1.680 176.359 174.700 -0.036 0.000 1.042 160 T CA 1.694 63.734 62.100 -0.100 0.000 1.140 160 T CB -0.821 67.993 68.868 -0.088 0.000 0.864 160 T HN 0.797 nan 8.240 nan 0.000 0.455 161 Y N 1.430 121.750 120.300 0.033 0.000 2.497 161 Y HA 0.371 4.921 4.550 0.001 0.000 0.292 161 Y C 1.653 177.679 175.900 0.210 0.000 1.137 161 Y CA -0.059 58.140 58.100 0.165 0.000 1.285 161 Y CB -0.718 37.890 38.460 0.246 0.000 0.991 161 Y HN 0.198 nan 8.280 nan 0.000 0.556 162 L N 0.641 121.561 121.223 -0.506 0.000 2.592 162 L HA 0.212 4.553 4.340 0.001 0.000 0.227 162 L C 0.353 177.177 176.870 -0.077 0.000 1.127 162 L CA -0.191 54.388 54.840 -0.435 0.000 0.884 162 L CB -0.056 41.653 42.059 -0.584 0.000 1.065 162 L HN 0.164 nan 8.230 nan 0.000 0.457 163 L N -0.548 120.709 121.223 0.057 0.000 2.464 163 L HA 0.138 4.479 4.340 0.001 0.000 0.264 163 L C -0.600 176.367 176.870 0.162 0.000 1.199 163 L CA 0.118 55.016 54.840 0.097 0.000 0.818 163 L CB 0.469 42.564 42.059 0.060 0.000 1.102 163 L HN -0.072 nan 8.230 nan 0.000 0.473 164 Y N 1.185 121.432 120.300 -0.088 0.000 2.544 164 Y HA 0.671 5.222 4.550 0.001 0.000 0.342 164 Y C -1.319 174.457 175.900 -0.208 0.000 1.062 164 Y CA -0.876 57.099 58.100 -0.207 0.000 1.023 164 Y CB 1.803 40.139 38.460 -0.205 0.000 1.308 164 Y HN 0.161 nan 8.280 nan 0.000 0.457 165 V N 3.600 122.740 119.914 -1.290 0.000 2.777 165 V HA 0.841 4.962 4.120 0.001 0.000 0.306 165 V C -0.569 174.770 176.094 -1.259 0.000 1.112 165 V CA -0.272 61.470 62.300 -0.930 0.000 0.917 165 V CB 1.970 33.550 31.823 -0.405 0.000 1.018 165 V HN 1.063 nan 8.190 nan 0.000 0.426 166 G N 3.734 112.106 108.800 -0.714 0.000 2.740 166 G HA2 0.774 4.735 3.960 0.001 0.000 0.296 166 G HA3 0.774 4.735 3.960 0.001 0.000 0.296 166 G C -1.872 173.057 174.900 0.049 0.000 1.439 166 G CA -0.440 44.488 45.100 -0.287 0.000 1.066 166 G HN 0.477 nan 8.290 nan 0.000 0.527 167 I N 1.373 121.960 120.570 0.027 0.000 2.478 167 I HA 0.820 4.990 4.170 0.001 0.000 0.287 167 I C 0.444 176.525 176.117 -0.060 0.000 1.042 167 I CA -0.084 61.240 61.300 0.041 0.000 1.067 167 I CB 2.160 40.029 38.000 -0.217 0.000 1.233 167 I HN 0.898 nan 8.210 nan 0.000 0.431 168 G N 4.144 112.764 108.800 -0.300 0.000 2.495 168 G HA2 0.367 4.328 3.960 0.001 0.000 0.294 168 G HA3 0.367 4.328 3.960 0.001 0.000 0.294 168 G C -1.348 173.025 174.900 -0.879 0.000 1.397 168 G CA -0.935 43.772 45.100 -0.656 0.000 0.790 168 G HN 0.297 nan 8.290 nan 0.000 0.486 169 K N 1.157 121.065 120.400 -0.821 0.000 2.333 169 K HA 0.276 4.597 4.320 0.001 0.000 0.241 169 K C -0.640 175.668 176.600 -0.487 0.000 1.193 169 K CA -0.133 55.791 56.287 -0.605 0.000 1.142 169 K CB -0.010 32.158 32.500 -0.553 0.000 1.731 169 K HN 0.247 nan 8.250 nan 0.000 0.344 170 F N 0.856 120.666 119.950 -0.233 0.000 2.496 170 F HA 0.168 4.696 4.527 0.001 0.000 0.344 170 F C 1.055 176.445 175.800 -0.684 0.000 1.155 170 F CA -0.348 57.392 58.000 -0.432 0.000 1.302 170 F CB 0.327 39.034 39.000 -0.489 0.000 1.159 170 F HN 0.114 nan 8.300 nan 0.000 0.595 171 R N 0.870 121.106 120.500 -0.440 0.000 2.664 171 R HA 0.546 4.887 4.340 0.001 0.000 0.286 171 R C -1.699 174.254 176.300 -0.577 0.000 0.967 171 R CA -0.900 54.956 56.100 -0.407 0.000 0.933 171 R CB 0.953 31.152 30.300 -0.168 0.000 1.146 171 R HN 0.484 nan 8.270 nan 0.000 0.468 172 Y N 0.115 120.409 120.300 -0.010 0.000 2.570 172 Y HA 0.572 5.123 4.550 0.001 0.000 0.345 172 Y C -0.016 175.735 175.900 -0.249 0.000 1.014 172 Y CA -0.888 57.099 58.100 -0.189 0.000 1.063 172 Y CB 2.002 40.284 38.460 -0.297 0.000 1.272 172 Y HN 0.248 nan 8.280 nan 0.000 0.477 173 E N 1.041 121.085 120.200 -0.260 0.000 2.314 173 E HA 0.401 4.751 4.350 0.001 0.000 0.272 173 E C -1.817 174.550 176.600 -0.390 0.000 0.884 173 E CA -0.893 55.403 56.400 -0.175 0.000 0.753 173 E CB 2.599 32.258 29.700 -0.068 0.000 1.213 173 E HN 0.589 nan 8.360 nan 0.000 0.432 174 Y N 0.312 120.634 120.300 0.037 0.000 2.570 174 Y HA 0.609 5.160 4.550 0.001 0.000 0.345 174 Y C 0.320 176.219 175.900 -0.001 0.000 1.014 174 Y CA -0.824 57.279 58.100 0.006 0.000 1.063 174 Y CB 2.266 40.723 38.460 -0.004 0.000 1.272 174 Y HN 0.410 nan 8.280 nan 0.000 0.477 175 E N 1.272 121.568 120.200 0.160 0.000 2.429 175 E HA 0.523 4.874 4.350 0.001 0.000 0.280 175 E C -2.023 174.628 176.600 0.086 0.000 1.068 175 E CA -1.052 55.402 56.400 0.091 0.000 0.837 175 E CB 2.136 31.861 29.700 0.042 0.000 1.357 175 E HN 0.521 nan 8.360 nan 0.000 0.455 176 K N 1.663 122.110 120.400 0.078 0.000 2.542 176 K HA 0.415 4.735 4.320 0.001 0.000 0.259 176 K C -2.058 174.621 176.600 0.133 0.000 0.932 176 K CA -0.812 55.525 56.287 0.085 0.000 0.820 176 K CB 1.241 33.770 32.500 0.048 0.000 1.345 176 K HN 0.525 nan 8.250 nan 0.000 0.432 177 Y N 5.007 125.316 120.300 0.015 0.000 2.338 177 Y HA 0.420 4.970 4.550 0.001 0.000 0.328 177 Y C 0.117 176.041 175.900 0.041 0.000 0.965 177 Y CA -0.087 58.028 58.100 0.024 0.000 1.208 177 Y CB 0.744 39.220 38.460 0.027 0.000 1.132 177 Y HN 0.948 nan 8.280 nan 0.000 0.469 178 R N 1.404 121.606 120.500 -0.496 0.000 3.895 178 R HA -0.273 4.067 4.340 0.001 0.000 0.431 178 R C 0.419 176.633 176.300 -0.145 0.000 0.241 178 R CA 1.768 57.640 56.100 -0.380 0.000 1.369 178 R CB -1.033 28.971 30.300 -0.494 0.000 1.017 178 R HN 0.832 nan 8.270 nan 0.000 0.556 179 D N 1.247 121.596 120.400 -0.086 0.000 2.349 179 D HA 0.058 4.698 4.640 0.001 0.000 0.224 179 D C 0.456 176.766 176.300 0.018 0.000 1.029 179 D CA 0.499 54.484 54.000 -0.026 0.000 0.879 179 D CB 0.041 40.833 40.800 -0.013 0.000 0.906 179 D HN 0.233 nan 8.370 nan 0.000 0.528 180 I N 1.988 122.588 120.570 0.050 0.000 2.452 180 I HA 0.149 4.320 4.170 0.001 0.000 0.287 180 I C -0.099 176.065 176.117 0.079 0.000 1.079 180 I CA -0.505 60.862 61.300 0.111 0.000 1.387 180 I CB 0.240 38.358 38.000 0.197 0.000 1.404 180 I HN -0.165 nan 8.210 nan 0.000 0.522 181 D N 6.903 127.339 120.400 0.061 0.000 2.256 181 D HA 0.445 5.086 4.640 0.001 0.000 0.250 181 D C -0.393 175.918 176.300 0.017 0.000 1.093 181 D CA -0.100 53.925 54.000 0.042 0.000 0.882 181 D CB 1.179 41.996 40.800 0.029 0.000 1.185 181 D HN 0.303 nan 8.370 nan 0.000 0.437 182 L N 3.630 124.866 121.223 0.021 0.000 2.316 182 L HA 0.494 4.834 4.340 0.001 0.000 0.280 182 L C -0.970 175.862 176.870 -0.064 0.000 1.006 182 L CA -0.823 53.999 54.840 -0.030 0.000 0.836 182 L CB 0.685 42.738 42.059 -0.010 0.000 1.221 182 L HN 0.221 nan 8.230 nan 0.000 0.418 183 I N 4.062 124.513 120.570 -0.197 0.000 2.404 183 I HA 0.416 4.587 4.170 0.001 0.000 0.293 183 I C -0.359 175.651 176.117 -0.177 0.000 0.992 183 I CA -0.295 60.823 61.300 -0.303 0.000 1.149 183 I CB 2.017 39.693 38.000 -0.541 0.000 1.315 183 I HN 0.443 nan 8.210 nan 0.000 0.446 184 L N 5.717 126.847 121.223 -0.155 0.000 2.287 184 L HA 0.884 5.224 4.340 0.001 0.000 0.287 184 L C -0.520 176.336 176.870 -0.023 0.000 1.022 184 L CA -0.344 54.456 54.840 -0.067 0.000 0.814 184 L CB 1.054 43.059 42.059 -0.090 0.000 1.217 184 L HN 0.821 nan 8.230 nan 0.000 0.420 185 A N 3.479 126.301 122.820 0.004 0.000 2.355 185 A HA 0.867 5.188 4.320 0.001 0.000 0.317 185 A C -0.746 176.805 177.584 -0.055 0.000 1.094 185 A CA -0.267 51.727 52.037 -0.072 0.000 0.764 185 A CB 1.726 20.610 19.000 -0.194 0.000 1.230 185 A HN 0.716 nan 8.150 nan 0.000 0.448 186 S N 0.891 116.582 115.700 -0.016 0.000 2.596 186 S HA 0.540 5.011 4.470 0.001 0.000 0.270 186 S C -0.003 174.630 174.600 0.055 0.000 1.155 186 S CA -0.688 57.539 58.200 0.045 0.000 0.827 186 S CB 0.612 63.805 63.200 -0.011 0.000 1.130 186 S HN 0.546 nan 8.310 nan 0.000 0.467 187 L N 0.625 121.859 121.223 0.019 0.000 2.554 187 L HA 0.249 4.590 4.340 0.001 0.000 0.226 187 L C 0.674 177.496 176.870 -0.079 0.000 1.137 187 L CA 0.485 55.283 54.840 -0.070 0.000 0.863 187 L CB -0.398 41.605 42.059 -0.093 0.000 0.985 187 L HN 0.680 nan 8.230 nan 0.000 0.451 188 K N -1.571 118.796 120.400 -0.055 0.000 2.512 188 K HA 0.324 4.645 4.320 0.001 0.000 0.263 188 K C -1.306 175.266 176.600 -0.046 0.000 0.966 188 K CA -1.002 55.254 56.287 -0.053 0.000 0.851 188 K CB 1.545 34.020 32.500 -0.041 0.000 1.395 188 K HN -0.339 nan 8.250 nan 0.000 0.440 189 D N 1.528 121.903 120.400 -0.041 0.000 2.629 189 D HA 0.023 4.664 4.640 0.001 0.000 0.228 189 D C -0.000 176.283 176.300 -0.028 0.000 1.127 189 D CA 0.554 54.535 54.000 -0.032 0.000 0.855 189 D CB 0.275 41.062 40.800 -0.023 0.000 1.180 189 D HN 0.339 nan 8.370 nan 0.000 0.484 190 I N 2.591 123.146 120.570 -0.026 0.000 2.440 190 I HA 0.200 4.371 4.170 0.001 0.000 0.294 190 I C 1.856 177.964 176.117 -0.016 0.000 0.995 190 I CA -0.678 60.608 61.300 -0.023 0.000 1.306 190 I CB 1.301 39.285 38.000 -0.027 0.000 1.407 190 I HN 0.240 nan 8.210 nan 0.000 0.501 191 R N 2.487 122.977 120.500 -0.017 0.000 2.078 191 R HA -0.023 4.318 4.340 0.001 0.000 0.224 191 R C 0.714 177.010 176.300 -0.006 0.000 1.149 191 R CA 1.428 57.519 56.100 -0.015 0.000 0.916 191 R CB -0.277 30.008 30.300 -0.024 0.000 0.821 191 R HN 0.829 nan 8.270 nan 0.000 0.434 192 S N -0.702 114.998 115.700 0.001 0.000 2.806 192 S HA 0.352 4.823 4.470 0.001 0.000 0.315 192 S C -0.062 174.558 174.600 0.032 0.000 1.127 192 S CA -0.988 57.224 58.200 0.020 0.000 0.918 192 S CB 2.081 65.298 63.200 0.028 0.000 1.240 192 S HN 0.099 nan 8.310 nan 0.000 0.552 193 K N -0.269 120.158 120.400 0.045 0.000 2.498 193 K HA 0.164 4.485 4.320 0.001 0.000 0.207 193 K C 0.463 177.088 176.600 0.041 0.000 1.033 193 K CA -0.188 56.117 56.287 0.029 0.000 1.138 193 K CB -0.185 32.327 32.500 0.021 0.000 0.860 193 K HN 0.608 nan 8.250 nan 0.000 0.490 194 Y N 3.665 123.933 120.300 -0.052 0.000 2.102 194 Y HA -0.232 4.319 4.550 0.002 0.000 0.280 194 Y C -0.992 174.862 175.900 -0.076 0.000 1.178 194 Y CA 1.837 59.901 58.100 -0.059 0.000 1.146 194 Y CB -0.843 37.574 38.460 -0.071 0.000 0.968 194 Y HN 0.096 nan 8.280 nan 0.000 0.504 195 P HA -0.213 nan 4.420 nan 0.000 0.215 195 P C 1.839 179.002 177.300 -0.229 0.000 1.153 195 P CA 1.902 64.859 63.100 -0.237 0.000 0.853 195 P CB -0.249 31.337 31.700 -0.191 0.000 0.788 196 L N -0.206 120.928 121.223 -0.148 0.000 2.083 196 L HA -0.147 4.193 4.340 0.001 0.000 0.209 196 L C 2.300 179.096 176.870 -0.124 0.000 1.083 196 L CA 1.541 56.315 54.840 -0.110 0.000 0.752 196 L CB -0.960 41.063 42.059 -0.060 0.000 0.899 196 L HN -0.027 nan 8.230 nan 0.000 0.433 197 D N -0.234 120.071 120.400 -0.158 0.000 2.117 197 D HA -0.166 4.474 4.640 0.001 0.000 0.198 197 D C 2.321 178.486 176.300 -0.225 0.000 0.982 197 D CA 1.166 55.069 54.000 -0.161 0.000 0.828 197 D CB -0.036 40.675 40.800 -0.150 0.000 0.967 197 D HN 0.223 nan 8.370 nan 0.000 0.464 198 M N 0.855 120.245 119.600 -0.349 0.000 2.117 198 M HA -0.059 4.422 4.480 0.001 0.000 0.262 198 M C 2.389 178.556 176.300 -0.222 0.000 1.065 198 M CA 0.724 55.827 55.300 -0.329 0.000 1.114 198 M CB -1.180 31.158 32.600 -0.436 0.000 1.361 198 M HN -0.060 nan 8.290 nan 0.000 0.408 199 A N 0.200 122.913 122.820 -0.178 0.000 1.858 199 A HA -0.200 4.121 4.320 0.001 0.000 0.216 199 A C 2.400 179.919 177.584 -0.110 0.000 1.190 199 A CA 1.959 53.933 52.037 -0.104 0.000 0.617 199 A CB -0.784 18.170 19.000 -0.077 0.000 0.827 199 A HN 0.467 nan 8.150 nan 0.000 0.443 200 R N -0.001 120.431 120.500 -0.113 0.000 2.094 200 R HA -0.206 4.134 4.340 0.001 0.000 0.239 200 R C 2.142 178.292 176.300 -0.251 0.000 1.137 200 R CA 2.165 58.194 56.100 -0.119 0.000 0.943 200 R CB -0.310 29.967 30.300 -0.039 0.000 0.850 200 R HN 0.537 nan 8.270 nan 0.000 0.433 201 K N -0.219 120.046 120.400 -0.225 0.000 2.097 201 K HA -0.067 4.254 4.320 0.001 0.000 0.206 201 K C 2.196 178.616 176.600 -0.300 0.000 1.049 201 K CA 1.792 57.918 56.287 -0.268 0.000 0.933 201 K CB -0.016 32.328 32.500 -0.261 0.000 0.717 201 K HN 0.133 nan 8.250 nan 0.000 0.442 202 S N 0.642 116.182 115.700 -0.267 0.000 2.368 202 S HA -0.105 4.366 4.470 0.001 0.000 0.225 202 S C 2.108 176.618 174.600 -0.150 0.000 1.030 202 S CA 1.127 59.150 58.200 -0.296 0.000 0.999 202 S CB -0.187 62.945 63.200 -0.114 0.000 0.844 202 S HN 0.036 nan 8.310 nan 0.000 0.459 203 V N 1.811 121.701 119.914 -0.040 0.000 2.343 203 V HA -0.186 3.935 4.120 0.001 0.000 0.247 203 V C 2.474 178.487 176.094 -0.134 0.000 1.051 203 V CA 1.893 64.255 62.300 0.105 0.000 1.036 203 V CB -0.615 31.227 31.823 0.031 0.000 0.654 203 V HN 0.520 nan 8.190 nan 0.000 0.451 204 E N -0.206 119.664 120.200 -0.550 0.000 2.038 204 E HA -0.281 4.070 4.350 0.001 0.000 0.195 204 E C 2.111 178.580 176.600 -0.217 0.000 1.000 204 E CA 1.785 57.842 56.400 -0.571 0.000 0.803 204 E CB -0.246 29.084 29.700 -0.616 0.000 0.750 204 E HN 0.550 nan 8.360 nan 0.000 0.448 205 F N 0.116 119.827 119.950 -0.399 0.000 2.126 205 F HA -0.251 4.277 4.527 0.001 0.000 0.299 205 F C 1.743 177.277 175.800 -0.444 0.000 1.096 205 F CA 1.553 59.294 58.000 -0.432 0.000 1.255 205 F CB -0.287 38.345 39.000 -0.614 0.000 0.997 205 F HN 0.109 nan 8.300 nan 0.000 0.479 206 Y N 0.892 121.062 120.300 -0.217 0.000 2.200 206 Y HA -0.142 4.408 4.550 0.001 0.000 0.290 206 Y C 2.443 178.013 175.900 -0.550 0.000 1.137 206 Y CA 1.550 59.283 58.100 -0.611 0.000 1.163 206 Y CB -1.067 36.930 38.460 -0.771 0.000 0.988 206 Y HN 0.192 nan 8.280 nan 0.000 0.518 207 E N -0.383 119.788 120.200 -0.049 0.000 2.150 207 E HA -0.212 4.139 4.350 0.001 0.000 0.193 207 E C 1.751 178.375 176.600 0.040 0.000 0.985 207 E CA 1.161 57.653 56.400 0.153 0.000 0.814 207 E CB -0.213 29.693 29.700 0.344 0.000 0.752 207 E HN 0.438 nan 8.360 nan 0.000 0.466 208 N N 0.198 118.837 118.700 -0.101 0.000 2.148 208 N HA -0.182 4.559 4.740 0.001 0.000 0.186 208 N C 1.721 177.090 175.510 -0.234 0.000 1.031 208 N CA 0.901 53.860 53.050 -0.152 0.000 0.848 208 N CB -0.250 38.105 38.487 -0.219 0.000 1.005 208 N HN 0.100 nan 8.380 nan 0.000 0.427 209 Y N -0.066 119.884 120.300 -0.584 0.000 2.165 209 Y HA -0.107 4.444 4.550 0.001 0.000 0.286 209 Y C 1.489 177.207 175.900 -0.304 0.000 1.155 209 Y CA 1.755 59.504 58.100 -0.585 0.000 1.164 209 Y CB -0.412 37.475 38.460 -0.955 0.000 0.978 209 Y HN 0.156 nan 8.280 nan 0.000 0.513 210 F N -0.797 119.162 119.950 0.015 0.000 2.512 210 F HA 0.145 4.673 4.527 0.001 0.000 0.296 210 F C 2.034 177.828 175.800 -0.011 0.000 1.110 210 F CA 0.360 58.359 58.000 -0.001 0.000 1.446 210 F CB -0.226 38.683 39.000 -0.151 0.000 1.092 210 F HN 0.154 nan 8.300 nan 0.000 0.554 211 G N 1.928 110.817 108.800 0.147 0.000 2.179 211 G HA2 -0.323 3.638 3.960 0.001 0.000 0.257 211 G HA3 -0.323 3.638 3.960 0.001 0.000 0.257 211 G C -0.119 174.897 174.900 0.192 0.000 1.010 211 G CA 0.169 45.342 45.100 0.121 0.000 0.736 211 G HN 0.385 nan 8.290 nan 0.000 0.513 212 I N 1.336 122.083 120.570 0.295 0.000 2.512 212 I HA 0.319 4.490 4.170 0.001 0.000 0.287 212 I C -2.040 174.431 176.117 0.590 0.000 1.069 212 I CA -2.487 59.043 61.300 0.383 0.000 1.056 212 I CB 2.690 40.934 38.000 0.407 0.000 1.229 212 I HN -0.121 nan 8.210 nan 0.000 0.429 213 P HA -0.089 nan 4.420 nan 0.000 0.271 213 P C -0.890 176.769 177.300 0.598 0.000 1.233 213 P CA -0.065 63.343 63.100 0.513 0.000 0.789 213 P CB 0.603 32.492 31.700 0.314 0.000 0.951 214 Y N 1.258 121.811 120.300 0.421 0.000 2.544 214 Y HA 0.200 4.750 4.550 0.001 0.000 0.330 214 Y C 1.515 177.379 175.900 -0.060 0.000 1.136 214 Y CA -0.092 58.010 58.100 0.003 0.000 1.417 214 Y CB 0.229 38.727 38.460 0.064 0.000 1.229 214 Y HN 0.491 nan 8.280 nan 0.000 0.532 215 A N 6.537 129.004 122.820 -0.588 0.000 2.168 215 A HA 0.124 4.444 4.320 0.001 0.000 0.215 215 A C 0.399 177.617 177.584 -0.609 0.000 1.152 215 A CA 0.540 52.328 52.037 -0.415 0.000 0.716 215 A CB -0.549 18.320 19.000 -0.219 0.000 0.794 215 A HN 0.662 nan 8.150 nan 0.000 0.465 216 L N -1.039 119.512 121.223 -1.120 0.000 2.313 216 L HA 0.332 4.672 4.340 0.001 0.000 0.268 216 L C -1.477 175.221 176.870 -0.286 0.000 1.010 216 L CA -2.136 52.242 54.840 -0.771 0.000 0.814 216 L CB 1.469 42.959 42.059 -0.948 0.000 1.304 216 L HN -0.054 nan 8.230 nan 0.000 0.441 217 P HA -0.045 nan 4.420 nan 0.000 0.231 217 P C -0.586 176.769 177.300 0.091 0.000 1.168 217 P CA 1.013 64.120 63.100 0.011 0.000 0.779 217 P CB 0.310 32.000 31.700 -0.016 0.000 0.844 218 K N -1.361 119.113 120.400 0.124 0.000 2.548 218 K HA 0.651 4.972 4.320 0.001 0.000 0.282 218 K C -1.249 175.458 176.600 0.178 0.000 1.006 218 K CA -0.974 55.386 56.287 0.121 0.000 0.892 218 K CB 1.005 33.520 32.500 0.025 0.000 1.499 218 K HN -0.153 nan 8.250 nan 0.000 0.433 219 M N 1.921 121.552 119.600 0.051 0.000 2.213 219 M HA 0.371 4.852 4.480 0.001 0.000 0.286 219 M C -1.638 174.643 176.300 -0.032 0.000 1.008 219 M CA -0.516 54.812 55.300 0.047 0.000 0.937 219 M CB 1.501 34.064 32.600 -0.062 0.000 1.600 219 M HN 0.787 nan 8.290 nan 0.000 0.450 220 H N 5.327 124.403 119.070 0.010 0.000 2.467 220 H HA 0.518 5.075 4.556 0.001 0.000 0.331 220 H C -1.225 174.101 175.328 -0.004 0.000 1.120 220 H CA -0.145 55.887 56.048 -0.026 0.000 1.270 220 H CB 1.523 31.241 29.762 -0.073 0.000 1.466 220 H HN 0.667 nan 8.280 nan 0.000 0.504 221 L N 5.935 127.244 121.223 0.143 0.000 2.318 221 L HA 0.397 4.738 4.340 0.001 0.000 0.277 221 L C -0.233 176.713 176.870 0.126 0.000 1.008 221 L CA -0.400 54.565 54.840 0.209 0.000 0.846 221 L CB 1.042 43.141 42.059 0.068 0.000 1.220 221 L HN 0.349 nan 8.230 nan 0.000 0.423 222 I N 1.861 122.494 120.570 0.106 0.000 2.321 222 I HA 0.183 4.353 4.170 0.001 0.000 0.291 222 I C 0.575 176.710 176.117 0.030 0.000 0.998 222 I CA -0.106 61.173 61.300 -0.035 0.000 1.227 222 I CB 1.881 39.738 38.000 -0.239 0.000 1.368 222 I HN 0.480 nan 8.210 nan 0.000 0.466 223 S N 6.313 122.025 115.700 0.019 0.000 2.411 223 S HA 0.386 4.857 4.470 0.001 0.000 0.304 223 S C -0.329 174.275 174.600 0.007 0.000 1.098 223 S CA -0.568 57.653 58.200 0.034 0.000 1.068 223 S CB -0.057 63.154 63.200 0.018 0.000 1.032 223 S HN 0.348 nan 8.310 nan 0.000 0.511 224 V N 8.837 128.724 119.914 -0.045 0.000 2.394 224 V HA 0.478 4.599 4.120 0.001 0.000 0.282 224 V C -1.873 174.247 176.094 0.044 0.000 1.031 224 V CA -2.010 60.254 62.300 -0.060 0.000 0.881 224 V CB 1.287 32.943 31.823 -0.278 0.000 0.982 224 V HN 0.691 nan 8.190 nan 0.000 0.451 225 P HA 0.158 nan 4.420 nan 0.000 0.275 225 P C 0.019 177.402 177.300 0.137 0.000 1.228 225 P CA -0.007 63.133 63.100 0.066 0.000 0.786 225 P CB 0.563 32.272 31.700 0.014 0.000 0.927 226 E N -0.870 119.403 120.200 0.122 0.000 2.403 226 E HA -0.250 4.101 4.350 0.001 0.000 0.241 226 E C -0.642 176.077 176.600 0.197 0.000 1.201 226 E CA 0.164 56.640 56.400 0.127 0.000 0.721 226 E CB -1.584 28.178 29.700 0.104 0.000 1.245 226 E HN 0.376 nan 8.360 nan 0.000 0.392 227 F N 0.696 120.672 119.950 0.043 0.000 2.439 227 F HA 0.333 4.860 4.527 0.001 0.000 0.356 227 F C 1.428 177.230 175.800 0.004 0.000 1.161 227 F CA 0.059 58.083 58.000 0.040 0.000 1.151 227 F CB 0.569 39.607 39.000 0.063 0.000 1.222 227 F HN 0.009 nan 8.300 nan 0.000 0.558 228 G N 3.673 112.288 108.800 -0.308 0.000 2.448 228 G HA2 -0.117 3.844 3.960 0.001 0.000 0.218 228 G HA3 -0.117 3.844 3.960 0.001 0.000 0.218 228 G C 1.524 176.182 174.900 -0.405 0.000 1.135 228 G CA 0.539 45.474 45.100 -0.274 0.000 0.784 228 G HN 0.753 nan 8.290 nan 0.000 0.543 229 A N -0.160 122.127 122.820 -0.888 0.000 2.248 229 A HA 0.403 4.724 4.320 0.001 0.000 0.210 229 A C 2.319 179.716 177.584 -0.312 0.000 1.174 229 A CA 1.402 53.020 52.037 -0.698 0.000 0.750 229 A CB -0.616 17.717 19.000 -1.112 0.000 0.780 229 A HN 1.526 nan 8.150 nan 0.000 0.478 230 G N -1.217 107.487 108.800 -0.160 0.000 4.148 230 G HA2 0.092 4.052 3.960 0.001 0.000 0.221 230 G HA3 0.092 4.052 3.960 0.001 0.000 0.221 230 G C 0.487 175.675 174.900 0.480 0.000 1.373 230 G CA 0.791 46.032 45.100 0.235 0.000 0.940 230 G HN 2.177 nan 8.290 nan 0.000 0.610 231 A N -1.530 121.500 122.820 0.351 0.000 2.582 231 A HA 0.822 5.143 4.320 0.001 0.000 0.297 231 A C -1.085 176.639 177.584 0.232 0.000 1.059 231 A CA 0.690 52.891 52.037 0.273 0.000 0.705 231 A CB 1.619 20.648 19.000 0.048 0.000 1.279 231 A HN 1.761 nan 8.150 nan 0.000 0.404 232 M N 2.065 121.759 119.600 0.158 0.000 2.327 232 M HA 0.442 4.923 4.480 0.001 0.000 0.298 232 M C 0.340 176.622 176.300 -0.030 0.000 1.065 232 M CA -0.609 54.804 55.300 0.189 0.000 0.916 232 M CB 1.884 34.767 32.600 0.471 0.000 1.630 232 M HN 0.730 nan 8.290 nan 0.000 0.442 233 E N 2.217 122.414 120.200 -0.004 0.000 2.301 233 E HA 0.056 4.407 4.350 0.001 0.000 0.195 233 E C -0.967 175.605 176.600 -0.047 0.000 1.171 233 E CA -0.043 56.342 56.400 -0.026 0.000 1.142 233 E CB -1.145 28.570 29.700 0.025 0.000 1.218 233 E HN 0.840 nan 8.360 nan 0.000 0.448 234 N N 1.301 119.955 118.700 -0.078 0.000 2.225 234 N HA -0.161 4.580 4.740 0.001 0.000 0.257 234 N C -0.730 174.823 175.510 0.073 0.000 1.252 234 N CA 0.098 53.118 53.050 -0.049 0.000 0.833 234 N CB 0.158 38.599 38.487 -0.078 0.000 1.068 234 N HN 0.292 nan 8.380 nan 0.000 0.468 235 W N 2.312 123.546 121.300 -0.110 0.000 2.469 235 W HA 0.279 4.940 4.660 0.001 0.000 0.321 235 W C 1.263 177.767 176.519 -0.025 0.000 1.415 235 W CA 0.384 57.687 57.345 -0.071 0.000 1.308 235 W CB -0.626 28.773 29.460 -0.102 0.000 1.368 235 W HN 0.799 nan 8.180 nan 0.000 0.546 236 G N 3.348 112.260 108.800 0.187 0.000 2.179 236 G HA2 -0.034 3.927 3.960 0.001 0.000 0.260 236 G HA3 -0.034 3.927 3.960 0.001 0.000 0.260 236 G C 0.048 175.008 174.900 0.099 0.000 0.977 236 G CA 0.098 45.255 45.100 0.095 0.000 0.641 236 G HN 1.587 nan 8.290 nan 0.000 0.533 237 A N -0.294 122.551 122.820 0.042 0.000 3.005 237 A HA 0.692 5.013 4.320 0.001 0.000 0.308 237 A C -0.326 177.099 177.584 -0.264 0.000 1.173 237 A CA -0.495 51.481 52.037 -0.102 0.000 0.796 237 A CB 0.366 19.255 19.000 -0.184 0.000 1.325 237 A HN 0.689 nan 8.150 nan 0.000 0.467 238 I N 2.346 122.824 120.570 -0.153 0.000 2.416 238 I HA 0.342 4.513 4.170 0.001 0.000 0.288 238 I C 1.086 176.932 176.117 -0.451 0.000 1.051 238 I CA 0.425 61.546 61.300 -0.298 0.000 1.375 238 I CB 1.308 39.173 38.000 -0.225 0.000 1.407 238 I HN 0.576 nan 8.210 nan 0.000 0.516 239 T N 3.189 117.382 114.554 -0.601 0.000 2.875 239 T HA 0.779 5.130 4.350 0.001 0.000 0.284 239 T C -0.493 173.842 174.700 -0.609 0.000 0.995 239 T CA -0.550 61.193 62.100 -0.595 0.000 1.060 239 T CB 0.856 69.254 68.868 -0.784 0.000 0.967 239 T HN 0.199 nan 8.240 nan 0.000 0.476 240 F N -0.492 119.326 119.950 -0.221 0.000 2.643 240 F HA 0.578 5.106 4.527 0.001 0.000 0.314 240 F C 0.311 176.171 175.800 0.099 0.000 1.096 240 F CA -1.462 56.587 58.000 0.082 0.000 0.953 240 F CB 2.104 41.193 39.000 0.148 0.000 1.345 240 F HN 0.593 nan 8.300 nan 0.000 0.468 241 R N 1.139 121.940 120.500 0.502 0.000 2.539 241 R HA 0.171 4.512 4.340 0.001 0.000 0.275 241 R C 0.876 177.238 176.300 0.102 0.000 1.077 241 R CA -0.106 56.140 56.100 0.243 0.000 1.097 241 R CB 0.818 31.150 30.300 0.053 0.000 1.018 241 R HN 0.870 nan 8.270 nan 0.000 0.483 242 E N 3.020 123.245 120.200 0.041 0.000 2.130 242 E HA -0.259 4.091 4.350 0.001 0.000 0.196 242 E C 1.691 178.267 176.600 -0.040 0.000 0.998 242 E CA 2.006 58.410 56.400 0.006 0.000 0.806 242 E CB -0.416 29.283 29.700 -0.003 0.000 0.738 242 E HN 0.730 nan 8.360 nan 0.000 0.459 243 I N -2.008 118.481 120.570 -0.134 0.000 2.530 243 I HA -0.253 3.917 4.170 0.001 0.000 0.257 243 I C 1.667 177.733 176.117 -0.085 0.000 1.179 243 I CA 1.472 62.672 61.300 -0.167 0.000 1.440 243 I CB -0.521 37.312 38.000 -0.279 0.000 1.087 243 I HN 0.061 nan 8.210 nan 0.000 0.440 244 Y N -0.142 120.174 120.300 0.026 0.000 2.510 244 Y HA 0.218 4.769 4.550 0.001 0.000 0.273 244 Y C 2.312 178.131 175.900 -0.135 0.000 1.119 244 Y CA -0.249 57.836 58.100 -0.025 0.000 1.286 244 Y CB 0.226 38.713 38.460 0.046 0.000 1.061 244 Y HN 0.134 nan 8.280 nan 0.000 0.542 245 M N -0.970 118.640 119.600 0.018 0.000 2.421 245 M HA 0.082 4.563 4.480 0.001 0.000 0.258 245 M C -0.334 175.947 176.300 -0.032 0.000 1.122 245 M CA 0.649 55.904 55.300 -0.074 0.000 1.078 245 M CB -0.173 32.371 32.600 -0.093 0.000 1.380 245 M HN 0.033 nan 8.290 nan 0.000 0.499 246 D N 1.673 122.064 120.400 -0.015 0.000 2.638 246 D HA 0.352 4.993 4.640 0.001 0.000 0.245 246 D C -0.977 175.308 176.300 -0.024 0.000 1.176 246 D CA -0.073 53.915 54.000 -0.021 0.000 0.996 246 D CB 0.090 40.875 40.800 -0.024 0.000 1.012 246 D HN -0.030 nan 8.370 nan 0.000 0.515 247 I N 1.910 122.471 120.570 -0.017 0.000 2.385 247 I HA 0.529 4.700 4.170 0.001 0.000 0.294 247 I C 0.538 176.609 176.117 -0.076 0.000 0.988 247 I CA -0.637 60.630 61.300 -0.055 0.000 1.265 247 I CB 1.778 39.756 38.000 -0.037 0.000 1.388 247 I HN 0.258 nan 8.210 nan 0.000 0.480 248 A N 4.438 127.189 122.820 -0.115 0.000 2.311 248 A HA 0.444 4.765 4.320 0.001 0.000 0.334 248 A C 1.038 178.536 177.584 -0.144 0.000 1.139 248 A CA -0.477 51.500 52.037 -0.101 0.000 0.830 248 A CB 0.737 19.688 19.000 -0.082 0.000 1.234 248 A HN 0.832 nan 8.150 nan 0.000 0.483 249 E N 1.051 121.189 120.200 -0.104 0.000 2.077 249 E HA -0.176 4.174 4.350 0.001 0.000 0.193 249 E C 0.410 176.938 176.600 -0.119 0.000 0.989 249 E CA 1.446 57.781 56.400 -0.108 0.000 0.800 249 E CB -0.123 29.542 29.700 -0.059 0.000 0.746 249 E HN 0.789 nan 8.360 nan 0.000 0.452 250 N N 0.858 119.501 118.700 -0.096 0.000 2.466 250 N HA 0.043 4.784 4.740 0.001 0.000 0.251 250 N C -0.681 174.769 175.510 -0.100 0.000 1.164 250 N CA -0.044 52.953 53.050 -0.088 0.000 0.888 250 N CB 0.931 39.380 38.487 -0.065 0.000 1.177 250 N HN -0.159 nan 8.380 nan 0.000 0.498 251 S N 0.683 116.302 115.700 -0.136 0.000 2.525 251 S HA 0.525 4.996 4.470 0.001 0.000 0.290 251 S C 0.330 174.843 174.600 -0.146 0.000 1.152 251 S CA -0.720 57.399 58.200 -0.136 0.000 1.072 251 S CB 1.592 64.696 63.200 -0.160 0.000 1.027 251 S HN 0.535 nan 8.310 nan 0.000 0.500 252 A N 2.331 125.087 122.820 -0.107 0.000 2.624 252 A HA 0.036 4.357 4.320 0.001 0.000 0.231 252 A C 1.377 178.882 177.584 -0.130 0.000 1.034 252 A CA -0.099 51.884 52.037 -0.090 0.000 0.754 252 A CB -0.134 18.834 19.000 -0.054 0.000 0.953 252 A HN 0.768 nan 8.150 nan 0.000 0.509 253 V N 2.617 122.462 119.914 -0.114 0.000 2.594 253 V HA -0.183 3.938 4.120 0.001 0.000 0.253 253 V C 2.680 178.641 176.094 -0.221 0.000 1.069 253 V CA 2.506 64.690 62.300 -0.194 0.000 1.082 253 V CB -1.128 30.637 31.823 -0.097 0.000 0.680 253 V HN 1.098 nan 8.190 nan 0.000 0.469 254 T N 0.426 114.948 114.554 -0.054 0.000 2.788 254 T HA -0.149 4.202 4.350 0.001 0.000 0.268 254 T C 1.857 176.536 174.700 -0.036 0.000 1.044 254 T CA 1.996 64.103 62.100 0.012 0.000 1.139 254 T CB -0.163 68.754 68.868 0.082 0.000 0.867 254 T HN 0.495 nan 8.240 nan 0.000 0.454 255 V N -0.925 118.952 119.914 -0.061 0.000 2.591 255 V HA 0.141 4.262 4.120 0.001 0.000 0.249 255 V C 2.233 178.280 176.094 -0.079 0.000 1.053 255 V CA 1.282 63.560 62.300 -0.037 0.000 1.068 255 V CB -0.709 31.090 31.823 -0.041 0.000 0.689 255 V HN 0.364 nan 8.190 nan 0.000 0.462 256 K N -0.029 120.245 120.400 -0.210 0.000 2.217 256 K HA 0.031 4.352 4.320 0.001 0.000 0.202 256 K C 2.386 178.904 176.600 -0.137 0.000 1.051 256 K CA 0.917 57.034 56.287 -0.283 0.000 0.952 256 K CB -0.164 31.979 32.500 -0.595 0.000 0.736 256 K HN 0.330 nan 8.250 nan 0.000 0.453 257 R N 0.848 121.191 120.500 -0.262 0.000 2.093 257 R HA 0.016 4.357 4.340 0.001 0.000 0.224 257 R C 1.592 177.864 176.300 -0.047 0.000 1.101 257 R CA 1.017 56.962 56.100 -0.259 0.000 0.979 257 R CB -0.718 29.263 30.300 -0.533 0.000 0.877 257 R HN 0.387 nan 8.270 nan 0.000 0.441 258 N N 0.255 118.952 118.700 -0.006 0.000 2.080 258 N HA -0.137 4.603 4.740 0.001 0.000 0.189 258 N C 1.765 177.243 175.510 -0.054 0.000 1.036 258 N CA 1.295 54.363 53.050 0.031 0.000 0.846 258 N CB -0.086 38.487 38.487 0.144 0.000 1.015 258 N HN 0.071 nan 8.380 nan 0.000 0.423 259 S N 0.919 116.634 115.700 0.025 0.000 2.365 259 S HA -0.181 4.290 4.470 0.001 0.000 0.225 259 S C 2.037 176.577 174.600 -0.101 0.000 1.039 259 S CA 1.467 59.667 58.200 0.000 0.000 1.033 259 S CB -0.304 62.980 63.200 0.140 0.000 0.887 259 S HN 0.400 nan 8.310 nan 0.000 0.447 260 A N 1.953 124.733 122.820 -0.067 0.000 1.877 260 A HA -0.121 4.200 4.320 0.001 0.000 0.216 260 A C 2.182 179.617 177.584 -0.248 0.000 1.186 260 A CA 1.777 53.713 52.037 -0.168 0.000 0.620 260 A CB -1.110 17.800 19.000 -0.150 0.000 0.822 260 A HN 0.644 nan 8.150 nan 0.000 0.443 261 N N 0.256 118.783 118.700 -0.289 0.000 2.069 261 N HA -0.137 4.604 4.740 0.001 0.000 0.191 261 N C 1.762 177.121 175.510 -0.253 0.000 1.031 261 N CA 1.802 54.607 53.050 -0.408 0.000 0.852 261 N CB -0.358 37.882 38.487 -0.412 0.000 1.018 261 N HN 0.208 nan 8.380 nan 0.000 0.423 262 V N 1.622 121.397 119.914 -0.232 0.000 2.343 262 V HA -0.199 3.921 4.120 0.001 0.000 0.247 262 V C 2.406 178.524 176.094 0.040 0.000 1.051 262 V CA 1.212 63.398 62.300 -0.190 0.000 1.036 262 V CB -0.334 31.181 31.823 -0.514 0.000 0.654 262 V HN 0.260 nan 8.190 nan 0.000 0.451 263 I N 0.387 120.960 120.570 0.005 0.000 2.179 263 I HA -0.255 3.915 4.170 0.001 0.000 0.242 263 I C 2.629 178.818 176.117 0.120 0.000 1.088 263 I CA 1.635 63.000 61.300 0.109 0.000 1.357 263 I CB -0.548 37.396 38.000 -0.094 0.000 1.051 263 I HN 0.293 nan 8.210 nan 0.000 0.409 264 A N -0.325 122.494 122.820 -0.002 0.000 1.969 264 A HA -0.284 4.037 4.320 0.001 0.000 0.218 264 A C 2.118 179.776 177.584 0.123 0.000 1.169 264 A CA 1.927 53.984 52.037 0.034 0.000 0.635 264 A CB -0.988 17.888 19.000 -0.207 0.000 0.810 264 A HN 0.575 nan 8.150 nan 0.000 0.445 265 H N -0.632 118.416 119.070 -0.036 0.000 2.270 265 H HA -0.114 4.443 4.556 0.001 0.000 0.299 265 H C 1.972 177.307 175.328 0.012 0.000 1.077 265 H CA 2.006 58.027 56.048 -0.045 0.000 1.294 265 H CB -0.024 29.704 29.762 -0.056 0.000 1.371 265 H HN 0.364 nan 8.280 nan 0.000 0.491 266 E N -0.057 120.339 120.200 0.327 0.000 2.265 266 E HA -0.091 4.259 4.350 0.001 0.000 0.196 266 E C 1.845 178.590 176.600 0.241 0.000 0.996 266 E CA 0.676 57.265 56.400 0.314 0.000 0.832 266 E CB -0.035 29.778 29.700 0.189 0.000 0.756 266 E HN 0.531 nan 8.360 nan 0.000 0.491 267 I N -0.170 120.535 120.570 0.225 0.000 2.500 267 I HA -0.042 4.129 4.170 0.001 0.000 0.252 267 I C 2.123 178.346 176.117 0.176 0.000 1.142 267 I CA 0.892 62.355 61.300 0.270 0.000 1.451 267 I CB -1.498 36.729 38.000 0.378 0.000 1.093 267 I HN 0.025 nan 8.210 nan 0.000 0.430 268 A N 0.333 123.062 122.820 -0.150 0.000 1.978 268 A HA -0.243 4.078 4.320 0.001 0.000 0.220 268 A C 2.122 179.767 177.584 0.102 0.000 1.170 268 A CA 1.549 53.357 52.037 -0.382 0.000 0.636 268 A CB -0.979 17.794 19.000 -0.378 0.000 0.810 268 A HN 0.417 nan 8.150 nan 0.000 0.448 269 H N -0.192 118.961 119.070 0.138 0.000 2.456 269 H HA -0.073 4.484 4.556 0.001 0.000 0.296 269 H C 1.879 177.271 175.328 0.107 0.000 1.079 269 H CA 1.468 57.600 56.048 0.140 0.000 1.322 269 H CB -0.079 29.732 29.762 0.083 0.000 1.388 269 H HN 0.513 nan 8.280 nan 0.000 0.538 270 Q N -0.864 119.132 119.800 0.327 0.000 2.368 270 Q HA -0.178 4.163 4.340 0.001 0.000 0.210 270 Q C 1.766 177.774 176.000 0.013 0.000 0.982 270 Q CA 0.886 56.830 55.803 0.235 0.000 0.884 270 Q CB -0.015 28.899 28.738 0.293 0.000 0.933 270 Q HN 0.650 nan 8.270 nan 0.000 0.460 271 W N -1.512 119.824 121.300 0.059 0.000 3.434 271 W HA 0.173 4.833 4.660 0.001 0.000 0.238 271 W C 0.312 176.711 176.519 -0.199 0.000 0.910 271 W CA -0.668 56.611 57.345 -0.110 0.000 2.222 271 W CB -0.570 28.727 29.460 -0.271 0.000 1.131 271 W HN -0.088 nan 8.180 nan 0.000 0.636 272 F N 1.705 121.669 119.950 0.023 0.000 2.494 272 F HA 0.387 4.915 4.527 0.001 0.000 0.351 272 F C 0.893 176.712 175.800 0.031 0.000 1.205 272 F CA 1.869 59.810 58.000 -0.098 0.000 1.125 272 F CB -0.103 38.763 39.000 -0.223 0.000 1.268 272 F HN 0.277 nan 8.300 nan 0.000 0.593 273 G N 3.457 112.102 108.800 -0.259 0.000 3.180 273 G HA2 -0.266 3.695 3.960 0.001 0.000 0.197 273 G HA3 -0.266 3.695 3.960 0.001 0.000 0.197 273 G C 0.762 175.441 174.900 -0.369 0.000 1.149 273 G CA 0.182 45.168 45.100 -0.189 0.000 0.847 273 G HN 0.468 nan 8.290 nan 0.000 0.469 274 D N 0.373 120.463 120.400 -0.517 0.000 2.259 274 D HA 0.245 4.885 4.640 0.001 0.000 0.216 274 D C 2.405 177.866 176.300 -1.398 0.000 0.961 274 D CA 0.590 53.956 54.000 -1.056 0.000 0.878 274 D CB 0.043 40.008 40.800 -1.391 0.000 1.009 274 D HN 0.309 nan 8.370 nan 0.000 0.490 275 L N 0.424 121.063 121.223 -0.973 0.000 2.095 275 L HA 0.078 4.419 4.340 0.001 0.000 0.204 275 L C -0.091 176.431 176.870 -0.580 0.000 1.080 275 L CA 0.861 55.253 54.840 -0.747 0.000 0.759 275 L CB 0.434 42.228 42.059 -0.443 0.000 0.914 275 L HN -0.173 nan 8.230 nan 0.000 0.439 276 V N -0.061 119.549 119.914 -0.508 0.000 2.487 276 V HA 0.341 4.462 4.120 0.001 0.000 0.298 276 V C -0.420 175.381 176.094 -0.488 0.000 1.028 276 V CA -0.534 61.479 62.300 -0.477 0.000 0.860 276 V CB 1.710 33.207 31.823 -0.544 0.000 0.991 276 V HN 0.116 nan 8.190 nan 0.000 0.427 277 T N 5.785 120.101 114.554 -0.398 0.000 2.885 277 T HA 0.555 4.905 4.350 0.001 0.000 0.285 277 T C 0.011 174.518 174.700 -0.322 0.000 1.019 277 T CA -0.595 61.302 62.100 -0.338 0.000 1.010 277 T CB 1.601 70.327 68.868 -0.237 0.000 1.022 277 T HN 0.769 nan 8.240 nan 0.000 0.466 278 M N 1.588 120.994 119.600 -0.324 0.000 2.232 278 M HA 0.361 4.842 4.480 0.001 0.000 0.321 278 M C 0.603 176.762 176.300 -0.236 0.000 1.101 278 M CA 0.061 55.186 55.300 -0.292 0.000 1.181 278 M CB 0.776 33.187 32.600 -0.315 0.000 1.432 278 M HN 0.472 nan 8.290 nan 0.000 0.457 279 K N 0.999 121.321 120.400 -0.131 0.000 2.186 279 K HA 0.105 4.426 4.320 0.001 0.000 0.202 279 K C 0.026 176.717 176.600 0.152 0.000 1.052 279 K CA 1.019 57.305 56.287 -0.002 0.000 0.965 279 K CB 0.318 32.831 32.500 0.021 0.000 0.746 279 K HN 0.762 nan 8.250 nan 0.000 0.457 280 W N -1.015 120.156 121.300 -0.215 0.000 3.213 280 W HA 0.036 4.697 4.660 0.001 0.000 0.318 280 W C -1.146 175.214 176.519 -0.266 0.000 1.248 280 W CA -1.083 56.117 57.345 -0.242 0.000 1.187 280 W CB 0.748 30.197 29.460 -0.017 0.000 1.403 280 W HN -0.035 nan 8.180 nan 0.000 0.556 281 W N 1.876 122.571 121.300 -1.009 0.000 2.560 281 W HA -0.204 4.456 4.660 0.001 0.000 0.252 281 W C 2.094 178.416 176.519 -0.329 0.000 1.242 281 W CA 1.527 58.437 57.345 -0.726 0.000 1.242 281 W CB -0.482 28.413 29.460 -0.942 0.000 1.136 281 W HN 0.434 nan 8.180 nan 0.000 0.625 282 N N -0.345 118.359 118.700 0.006 0.000 2.520 282 N HA -0.153 4.588 4.740 0.001 0.000 0.185 282 N C 0.815 176.491 175.510 0.276 0.000 1.068 282 N CA 1.399 54.586 53.050 0.228 0.000 0.911 282 N CB -0.279 38.420 38.487 0.354 0.000 0.961 282 N HN -0.059 nan 8.380 nan 0.000 0.446 283 D N -0.190 120.286 120.400 0.127 0.000 2.388 283 D HA 0.086 4.727 4.640 0.001 0.000 0.221 283 D C 1.356 177.592 176.300 -0.106 0.000 1.133 283 D CA -0.162 53.848 54.000 0.017 0.000 0.831 283 D CB 0.120 40.881 40.800 -0.065 0.000 0.962 283 D HN 0.281 nan 8.370 nan 0.000 0.502 284 L N 0.767 122.029 121.223 0.066 0.000 2.083 284 L HA -0.107 4.234 4.340 0.001 0.000 0.209 284 L C 2.239 179.239 176.870 0.216 0.000 1.083 284 L CA 1.174 56.106 54.840 0.154 0.000 0.752 284 L CB -0.272 41.962 42.059 0.292 0.000 0.899 284 L HN 0.353 nan 8.230 nan 0.000 0.433 285 W N -0.118 121.342 121.300 0.266 0.000 2.358 285 W HA -0.246 4.415 4.660 0.001 0.000 0.303 285 W C 1.936 178.667 176.519 0.354 0.000 1.208 285 W CA 0.562 58.079 57.345 0.286 0.000 1.274 285 W CB -1.257 28.275 29.460 0.120 0.000 1.138 285 W HN 0.144 nan 8.180 nan 0.000 0.515 286 L N 1.676 122.072 121.223 -1.378 0.000 2.017 286 L HA -0.249 4.091 4.340 0.001 0.000 0.208 286 L C 2.650 179.411 176.870 -0.182 0.000 1.073 286 L CA 2.256 56.395 54.840 -1.168 0.000 0.745 286 L CB -0.974 40.438 42.059 -1.078 0.000 0.894 286 L HN 0.151 nan 8.230 nan 0.000 0.432 287 N N -0.520 118.197 118.700 0.028 0.000 2.036 287 N HA -0.295 4.445 4.740 0.001 0.000 0.195 287 N C 1.663 177.435 175.510 0.436 0.000 1.037 287 N CA 1.836 55.099 53.050 0.355 0.000 0.855 287 N CB 0.103 38.742 38.487 0.253 0.000 1.033 287 N HN 0.293 nan 8.380 nan 0.000 0.423 288 E N 0.101 120.528 120.200 0.379 0.000 2.112 288 E HA 0.041 4.392 4.350 0.001 0.000 0.190 288 E C 2.056 178.858 176.600 0.336 0.000 0.979 288 E CA 0.577 57.206 56.400 0.383 0.000 0.814 288 E CB -0.007 29.848 29.700 0.259 0.000 0.762 288 E HN 0.219 nan 8.360 nan 0.000 0.460 289 S N 0.002 115.922 115.700 0.367 0.000 2.368 289 S HA -0.121 4.350 4.470 0.001 0.000 0.224 289 S C 1.632 176.378 174.600 0.243 0.000 1.029 289 S CA 0.839 59.264 58.200 0.374 0.000 0.988 289 S CB -0.376 63.107 63.200 0.471 0.000 0.838 289 S HN 0.332 nan 8.310 nan 0.000 0.462 290 F N 2.585 122.512 119.950 -0.039 0.000 2.095 290 F HA -0.147 4.380 4.527 0.001 0.000 0.298 290 F C 2.347 178.064 175.800 -0.138 0.000 1.104 290 F CA 1.178 59.049 58.000 -0.216 0.000 1.232 290 F CB -0.710 37.773 39.000 -0.862 0.000 0.987 290 F HN 0.179 nan 8.300 nan 0.000 0.475 291 A N -0.713 122.003 122.820 -0.174 0.000 1.933 291 A HA -0.164 4.156 4.320 0.001 0.000 0.218 291 A C 2.167 179.499 177.584 -0.419 0.000 1.175 291 A CA 2.221 53.924 52.037 -0.556 0.000 0.628 291 A CB -1.392 16.868 19.000 -1.233 0.000 0.814 291 A HN 0.452 nan 8.150 nan 0.000 0.444 292 T N -0.906 113.644 114.554 -0.007 0.000 2.777 292 T HA -0.104 4.247 4.350 0.001 0.000 0.266 292 T C 1.619 176.440 174.700 0.202 0.000 1.040 292 T CA 1.456 63.742 62.100 0.310 0.000 1.141 292 T CB -0.396 68.744 68.868 0.454 0.000 0.868 292 T HN 0.507 nan 8.240 nan 0.000 0.444 293 F N 1.724 121.654 119.950 -0.033 0.000 2.075 293 F HA -0.118 4.410 4.527 0.001 0.000 0.297 293 F C 2.166 177.823 175.800 -0.240 0.000 1.113 293 F CA 1.236 59.152 58.000 -0.140 0.000 1.218 293 F CB -0.276 38.629 39.000 -0.158 0.000 0.984 293 F HN -0.041 nan 8.300 nan 0.000 0.472 294 M N -0.170 119.210 119.600 -0.368 0.000 2.202 294 M HA -0.186 4.295 4.480 0.001 0.000 0.262 294 M C 2.528 178.576 176.300 -0.420 0.000 1.063 294 M CA 1.462 56.495 55.300 -0.446 0.000 1.097 294 M CB -1.756 30.625 32.600 -0.364 0.000 1.382 294 M HN 0.296 nan 8.290 nan 0.000 0.413 295 S N -0.609 114.882 115.700 -0.349 0.000 2.356 295 S HA -0.143 4.328 4.470 0.001 0.000 0.223 295 S C 1.921 176.084 174.600 -0.728 0.000 1.032 295 S CA 1.162 59.114 58.200 -0.413 0.000 1.005 295 S CB -0.200 62.846 63.200 -0.257 0.000 0.867 295 S HN 0.433 nan 8.310 nan 0.000 0.449 296 Y N 1.495 121.320 120.300 -0.791 0.000 2.242 296 Y HA 0.018 4.569 4.550 0.001 0.000 0.291 296 Y C 2.446 177.544 175.900 -1.335 0.000 1.137 296 Y CA 1.617 59.020 58.100 -1.163 0.000 1.181 296 Y CB -0.219 37.372 38.460 -1.448 0.000 0.989 296 Y HN 0.220 nan 8.280 nan 0.000 0.527 297 K N -0.457 119.351 120.400 -0.985 0.000 2.147 297 K HA -0.156 4.164 4.320 0.001 0.000 0.205 297 K C 1.816 177.976 176.600 -0.733 0.000 1.049 297 K CA 1.810 57.741 56.287 -0.594 0.000 0.936 297 K CB -0.120 32.050 32.500 -0.550 0.000 0.722 297 K HN 0.208 nan 8.250 nan 0.000 0.446 298 T N 1.050 114.998 114.554 -1.010 0.000 2.732 298 T HA -0.065 4.286 4.350 0.001 0.000 0.261 298 T C 1.709 175.751 174.700 -1.097 0.000 1.040 298 T CA 1.048 62.221 62.100 -1.545 0.000 1.145 298 T CB -0.023 68.028 68.868 -1.363 0.000 0.866 298 T HN 0.142 nan 8.240 nan 0.000 0.427 299 M N 1.487 120.544 119.600 -0.906 0.000 2.279 299 M HA -0.056 4.425 4.480 0.001 0.000 0.264 299 M C 1.944 178.025 176.300 -0.365 0.000 1.062 299 M CA 1.147 56.014 55.300 -0.721 0.000 1.099 299 M CB -1.112 30.688 32.600 -1.333 0.000 1.394 299 M HN 0.254 nan 8.290 nan 0.000 0.426 300 D N -0.267 119.889 120.400 -0.407 0.000 2.219 300 D HA -0.102 4.539 4.640 0.001 0.000 0.205 300 D C 1.570 177.848 176.300 -0.038 0.000 0.970 300 D CA 1.382 55.335 54.000 -0.079 0.000 0.851 300 D CB 0.349 41.068 40.800 -0.134 0.000 0.943 300 D HN 0.234 nan 8.370 nan 0.000 0.488 301 T N -0.258 114.171 114.554 -0.208 0.000 2.937 301 T HA 0.041 4.391 4.350 0.001 0.000 0.260 301 T C 1.953 176.521 174.700 -0.219 0.000 1.051 301 T CA 0.462 62.482 62.100 -0.133 0.000 1.141 301 T CB -0.061 68.755 68.868 -0.087 0.000 0.879 301 T HN 0.145 nan 8.240 nan 0.000 0.459 302 L N -0.528 120.438 121.223 -0.428 0.000 2.109 302 L HA 0.135 4.476 4.340 0.001 0.000 0.207 302 L C 0.160 176.492 176.870 -0.897 0.000 1.086 302 L CA 1.148 55.548 54.840 -0.733 0.000 0.760 302 L CB -0.188 41.254 42.059 -1.028 0.000 0.910 302 L HN 0.236 nan 8.230 nan 0.000 0.437 303 F N -0.293 119.658 119.950 0.000 0.000 2.769 303 F HA 0.299 4.826 4.527 0.002 0.000 0.358 303 F C -1.744 174.161 175.800 0.176 0.000 1.285 303 F CA -1.496 56.566 58.000 0.104 0.000 1.199 303 F CB 0.537 39.630 39.000 0.155 0.000 1.558 303 F HN -0.185 nan 8.300 nan 0.000 0.583 304 P HA -0.079 nan 4.420 nan 0.000 0.242 304 P C 0.835 178.263 177.300 0.213 0.000 1.197 304 P CA 0.959 64.183 63.100 0.208 0.000 0.765 304 P CB 0.531 32.312 31.700 0.135 0.000 0.936 305 E N -1.543 118.803 120.200 0.243 0.000 2.481 305 E HA 0.019 4.370 4.350 0.001 0.000 0.198 305 E C 1.108 177.818 176.600 0.183 0.000 1.027 305 E CA -0.023 56.488 56.400 0.184 0.000 0.900 305 E CB -0.606 29.191 29.700 0.162 0.000 0.993 305 E HN 0.288 nan 8.360 nan 0.000 0.482 306 W N 1.079 122.404 121.300 0.042 0.000 3.114 306 W HA 0.073 4.733 4.660 0.001 0.000 0.279 306 W C -0.149 176.307 176.519 -0.106 0.000 1.277 306 W CA 1.369 58.646 57.345 -0.113 0.000 1.630 306 W CB 0.391 29.697 29.460 -0.257 0.000 1.087 306 W HN 0.125 nan 8.180 nan 0.000 0.637 307 S N 0.348 116.102 115.700 0.090 0.000 3.572 307 S HA -0.315 4.156 4.470 0.001 0.000 0.394 307 S C 0.247 174.941 174.600 0.156 0.000 0.923 307 S CA 0.938 59.212 58.200 0.124 0.000 1.291 307 S CB -2.773 60.471 63.200 0.074 0.000 0.914 307 S HN 0.314 nan 8.310 nan 0.000 0.545 308 F N -0.297 119.802 119.950 0.249 0.000 2.216 308 F HA 0.073 4.601 4.527 0.001 0.000 0.300 308 F C 2.167 178.123 175.800 0.260 0.000 1.085 308 F CA 1.678 59.845 58.000 0.279 0.000 1.326 308 F CB -0.239 38.805 39.000 0.073 0.000 1.027 308 F HN 0.548 nan 8.300 nan 0.000 0.497 309 W N -0.267 121.293 121.300 0.434 0.000 2.425 309 W HA -0.066 4.595 4.660 0.001 0.000 0.277 309 W C 2.509 179.194 176.519 0.278 0.000 1.231 309 W CA 0.831 58.352 57.345 0.292 0.000 1.248 309 W CB -0.866 28.693 29.460 0.165 0.000 1.117 309 W HN -0.036 nan 8.180 nan 0.000 0.568 310 G N -0.471 108.571 108.800 0.404 0.000 2.404 310 G HA2 -0.285 3.676 3.960 0.001 0.000 0.215 310 G HA3 -0.285 3.676 3.960 0.001 0.000 0.215 310 G C 1.266 176.302 174.900 0.227 0.000 1.174 310 G CA 1.268 46.506 45.100 0.230 0.000 0.780 310 G HN 0.236 nan 8.290 nan 0.000 0.537 311 D N -0.304 120.245 120.400 0.247 0.000 2.178 311 D HA -0.138 4.502 4.640 0.001 0.000 0.201 311 D C 2.040 178.481 176.300 0.236 0.000 0.980 311 D CA 0.603 54.760 54.000 0.261 0.000 0.842 311 D CB -0.077 40.950 40.800 0.379 0.000 0.948 311 D HN 0.236 nan 8.370 nan 0.000 0.472 312 F N 0.870 120.823 119.950 0.005 0.000 2.075 312 F HA -0.181 4.347 4.527 0.001 0.000 0.297 312 F C 2.045 177.791 175.800 -0.090 0.000 1.113 312 F CA 1.279 59.021 58.000 -0.430 0.000 1.218 312 F CB -1.000 37.733 39.000 -0.447 0.000 0.984 312 F HN -0.091 nan 8.300 nan 0.000 0.472 313 F N 0.344 120.243 119.950 -0.086 0.000 2.091 313 F HA -0.231 4.297 4.527 0.001 0.000 0.299 313 F C 2.235 177.900 175.800 -0.225 0.000 1.103 313 F CA 2.052 59.933 58.000 -0.198 0.000 1.228 313 F CB -0.788 38.185 39.000 -0.044 0.000 0.984 313 F HN -0.129 nan 8.300 nan 0.000 0.477 314 V N -0.232 119.692 119.914 0.018 0.000 2.358 314 V HA -0.271 3.850 4.120 0.001 0.000 0.246 314 V C 2.461 178.477 176.094 -0.131 0.000 1.047 314 V CA 2.121 64.398 62.300 -0.038 0.000 1.035 314 V CB -0.762 31.082 31.823 0.036 0.000 0.658 314 V HN 0.579 nan 8.190 nan 0.000 0.452 315 S N -1.293 114.338 115.700 -0.115 0.000 2.503 315 S HA 0.067 4.538 4.470 0.001 0.000 0.217 315 S C 1.837 176.333 174.600 -0.173 0.000 0.999 315 S CA 0.235 58.388 58.200 -0.079 0.000 0.914 315 S CB 0.245 63.485 63.200 0.066 0.000 0.782 315 S HN 0.435 nan 8.310 nan 0.000 0.520 316 R N 0.794 121.056 120.500 -0.396 0.000 2.411 316 R HA 0.378 4.719 4.340 0.001 0.000 0.176 316 R C 2.399 178.413 176.300 -0.477 0.000 1.072 316 R CA 1.511 57.349 56.100 -0.437 0.000 1.132 316 R CB -1.148 28.750 30.300 -0.670 0.000 1.203 316 R HN 0.340 nan 8.270 nan 0.000 0.537 317 T N 0.277 114.381 114.554 -0.751 0.000 2.652 317 T HA -0.194 4.157 4.350 0.001 0.000 0.267 317 T C 1.864 176.179 174.700 -0.641 0.000 1.039 317 T CA 2.005 63.703 62.100 -0.670 0.000 1.153 317 T CB -0.593 67.639 68.868 -1.059 0.000 0.863 317 T HN 0.192 nan 8.240 nan 0.000 0.428 318 S N 0.617 115.807 115.700 -0.852 0.000 2.365 318 S HA -0.121 4.350 4.470 0.001 0.000 0.225 318 S C 2.351 176.779 174.600 -0.286 0.000 1.039 318 S CA 1.813 59.685 58.200 -0.547 0.000 1.033 318 S CB -0.947 62.018 63.200 -0.390 0.000 0.887 318 S HN 0.636 nan 8.310 nan 0.000 0.447 319 G N 0.070 108.736 108.800 -0.222 0.000 2.421 319 G HA2 0.098 4.058 3.960 0.001 0.000 0.217 319 G HA3 0.098 4.058 3.960 0.001 0.000 0.217 319 G C 1.568 176.431 174.900 -0.061 0.000 1.143 319 G CA 0.836 45.868 45.100 -0.113 0.000 0.784 319 G HN 0.662 nan 8.290 nan 0.000 0.541 320 A N 0.450 123.234 122.820 -0.060 0.000 1.929 320 A HA 0.232 4.552 4.320 0.001 0.000 0.216 320 A C 2.352 180.022 177.584 0.143 0.000 1.176 320 A CA 0.782 52.855 52.037 0.060 0.000 0.628 320 A CB -0.277 18.773 19.000 0.083 0.000 0.816 320 A HN 0.333 nan 8.150 nan 0.000 0.444 321 L N -1.042 120.148 121.223 -0.055 0.000 2.093 321 L HA -0.140 4.201 4.340 0.001 0.000 0.208 321 L C 2.851 179.756 176.870 0.057 0.000 1.085 321 L CA 1.053 55.734 54.840 -0.264 0.000 0.755 321 L CB -0.396 41.294 42.059 -0.616 0.000 0.904 321 L HN 0.349 nan 8.230 nan 0.000 0.435 322 R N -0.643 119.863 120.500 0.010 0.000 2.062 322 R HA -0.097 4.243 4.340 0.001 0.000 0.231 322 R C 2.495 178.850 176.300 0.092 0.000 1.136 322 R CA 1.657 57.788 56.100 0.053 0.000 0.948 322 R CB -0.380 29.915 30.300 -0.008 0.000 0.845 322 R HN 0.237 nan 8.270 nan 0.000 0.430 323 S N 0.837 116.583 115.700 0.077 0.000 2.383 323 S HA -0.131 4.340 4.470 0.001 0.000 0.227 323 S C 1.251 175.915 174.600 0.106 0.000 1.026 323 S CA 1.191 59.435 58.200 0.073 0.000 0.981 323 S CB -0.198 63.032 63.200 0.050 0.000 0.818 323 S HN 0.246 nan 8.310 nan 0.000 0.472 324 D N 1.126 121.652 120.400 0.210 0.000 2.363 324 D HA 0.028 4.669 4.640 0.001 0.000 0.226 324 D C 1.438 177.861 176.300 0.204 0.000 1.020 324 D CA 0.349 54.514 54.000 0.274 0.000 0.892 324 D CB -0.076 41.045 40.800 0.536 0.000 0.900 324 D HN 0.446 nan 8.370 nan 0.000 0.531 325 S N -1.294 114.507 115.700 0.168 0.000 2.557 325 S HA 0.206 4.677 4.470 0.001 0.000 0.223 325 S C 0.645 175.203 174.600 -0.070 0.000 0.969 325 S CA -0.534 57.669 58.200 0.004 0.000 0.927 325 S CB 0.086 63.400 63.200 0.190 0.000 0.806 325 S HN 0.046 nan 8.310 nan 0.000 0.489 326 L N 1.323 122.535 121.223 -0.019 0.000 2.344 326 L HA 0.493 4.834 4.340 0.001 0.000 0.272 326 L C 1.199 178.052 176.870 -0.028 0.000 1.035 326 L CA -0.813 54.009 54.840 -0.030 0.000 0.807 326 L CB 1.263 43.322 42.059 -0.001 0.000 1.237 326 L HN 0.005 nan 8.230 nan 0.000 0.442 327 K N 0.849 121.230 120.400 -0.033 0.000 2.288 327 K HA -0.045 4.276 4.320 0.001 0.000 0.201 327 K C 0.290 176.892 176.600 0.003 0.000 1.048 327 K CA 0.973 57.247 56.287 -0.021 0.000 0.956 327 K CB -0.051 32.433 32.500 -0.027 0.000 0.746 327 K HN 0.503 nan 8.250 nan 0.000 0.461 328 N N 1.397 120.104 118.700 0.011 0.000 3.091 328 N HA -0.016 4.725 4.740 0.001 0.000 0.301 328 N C -0.545 174.998 175.510 0.055 0.000 1.325 328 N CA 0.039 53.110 53.050 0.034 0.000 1.143 328 N CB 0.625 39.132 38.487 0.034 0.000 1.450 328 N HN 0.005 nan 8.380 nan 0.000 0.542 329 T N -0.359 114.221 114.554 0.043 0.000 2.905 329 T HA 0.454 4.804 4.350 0.001 0.000 0.283 329 T C -1.136 173.593 174.700 0.049 0.000 1.031 329 T CA -0.625 61.482 62.100 0.013 0.000 1.002 329 T CB 0.677 69.531 68.868 -0.024 0.000 1.200 329 T HN 0.487 nan 8.240 nan 0.000 0.560 330 H N -0.771 118.318 119.070 0.030 0.000 2.961 330 H HA 0.714 5.271 4.556 0.001 0.000 0.371 330 H C -3.054 172.273 175.328 -0.001 0.000 1.190 330 H CA -2.098 53.956 56.048 0.011 0.000 1.138 330 H CB 0.607 30.372 29.762 0.005 0.000 1.816 330 H HN 0.335 nan 8.280 nan 0.000 0.551 331 P HA 0.010 nan 4.420 nan 0.000 0.273 331 P C 0.359 177.662 177.300 0.005 0.000 1.250 331 P CA -0.459 62.638 63.100 -0.005 0.000 0.793 331 P CB 1.405 33.092 31.700 -0.022 0.000 1.011 332 I N -0.693 119.788 120.570 -0.148 0.000 2.233 332 I HA -0.071 4.100 4.170 0.001 0.000 0.243 332 I C 1.532 177.487 176.117 -0.270 0.000 1.093 332 I CA 0.960 62.075 61.300 -0.308 0.000 1.380 332 I CB -1.221 36.364 38.000 -0.692 0.000 1.067 332 I HN 0.489 nan 8.210 nan 0.000 0.413 333 E N 1.866 121.939 120.200 -0.212 0.000 2.417 333 E HA 0.174 4.525 4.350 0.001 0.000 0.261 333 E C -0.943 175.679 176.600 0.036 0.000 1.000 333 E CA 0.069 56.443 56.400 -0.044 0.000 0.919 333 E CB 0.776 30.484 29.700 0.014 0.000 0.955 333 E HN 0.032 nan 8.360 nan 0.000 0.455 334 V N 4.529 124.501 119.914 0.097 0.000 2.808 334 V HA 0.165 4.286 4.120 0.001 0.000 0.308 334 V C -1.204 174.970 176.094 0.134 0.000 1.099 334 V CA -0.882 61.472 62.300 0.090 0.000 0.920 334 V CB 2.248 34.104 31.823 0.055 0.000 1.014 334 V HN 0.848 nan 8.190 nan 0.000 0.425 335 D N 3.566 124.036 120.400 0.117 0.000 2.351 335 D HA 0.359 5.000 4.640 0.001 0.000 0.251 335 D C -0.684 175.718 176.300 0.169 0.000 1.137 335 D CA 0.598 54.690 54.000 0.153 0.000 0.879 335 D CB 1.660 42.529 40.800 0.114 0.000 1.181 335 D HN 0.456 nan 8.370 nan 0.000 0.448 336 V N 5.847 125.918 119.914 0.262 0.000 2.380 336 V HA 0.363 4.484 4.120 0.001 0.000 0.286 336 V C 0.500 176.837 176.094 0.404 0.000 1.015 336 V CA -0.397 62.063 62.300 0.266 0.000 0.834 336 V CB 1.058 32.999 31.823 0.197 0.000 1.009 336 V HN 0.565 nan 8.190 nan 0.000 0.428 337 R N 3.350 124.004 120.500 0.257 0.000 2.040 337 R HA 0.190 4.530 4.340 0.001 0.000 0.219 337 R C 0.439 176.908 176.300 0.283 0.000 1.216 337 R CA 1.272 57.522 56.100 0.250 0.000 0.952 337 R CB -0.149 30.232 30.300 0.136 0.000 0.833 337 R HN 0.829 nan 8.270 nan 0.000 0.456 338 D N 1.398 121.889 120.400 0.152 0.000 2.317 338 D HA 0.123 4.764 4.640 0.001 0.000 0.252 338 D C -2.313 173.988 176.300 0.001 0.000 1.174 338 D CA -2.108 51.947 54.000 0.092 0.000 0.866 338 D CB 1.018 41.842 40.800 0.040 0.000 1.127 338 D HN -0.101 nan 8.370 nan 0.000 0.467 339 P HA 0.095 nan 4.420 nan 0.000 0.252 339 P C -0.820 176.296 177.300 -0.307 0.000 1.635 339 P CA 0.197 63.076 63.100 -0.369 0.000 1.206 339 P CB -0.031 31.334 31.700 -0.558 0.000 1.911 340 D N 0.665 120.944 120.400 -0.201 0.000 2.720 340 D HA -0.002 4.639 4.640 0.001 0.000 0.285 340 D C -0.387 175.844 176.300 -0.115 0.000 1.359 340 D CA -0.304 53.612 54.000 -0.141 0.000 0.818 340 D CB -0.005 40.749 40.800 -0.077 0.000 1.108 340 D HN 0.186 nan 8.370 nan 0.000 0.474 341 E N 1.097 121.194 120.200 -0.171 0.000 2.558 341 E HA 0.104 4.455 4.350 0.001 0.000 0.235 341 E C 0.704 177.327 176.600 0.039 0.000 1.217 341 E CA 0.231 56.589 56.400 -0.070 0.000 0.955 341 E CB -0.009 29.613 29.700 -0.131 0.000 1.027 341 E HN 0.528 nan 8.360 nan 0.000 0.491 342 I N 0.882 121.505 120.570 0.088 0.000 3.225 342 I HA -0.148 4.023 4.170 0.001 0.000 0.382 342 I C 0.854 177.000 176.117 0.049 0.000 0.780 342 I CA 0.569 61.968 61.300 0.165 0.000 0.981 342 I CB -0.595 37.441 38.000 0.061 0.000 3.547 342 I HN 0.417 nan 8.210 nan 0.000 0.963 343 S N 0.016 115.729 115.700 0.023 0.000 2.452 343 S HA 0.165 4.636 4.470 0.001 0.000 0.225 343 S C 1.342 175.948 174.600 0.010 0.000 1.057 343 S CA 1.071 59.264 58.200 -0.012 0.000 0.949 343 S CB 0.221 63.405 63.200 -0.027 0.000 0.836 343 S HN 0.559 nan 8.310 nan 0.000 0.518 344 Q N -0.686 119.116 119.800 0.003 0.000 2.214 344 Q HA 0.368 4.709 4.340 0.001 0.000 0.229 344 Q C 0.559 176.526 176.000 -0.055 0.000 0.835 344 Q CA 0.014 55.775 55.803 -0.070 0.000 0.953 344 Q CB 0.741 29.422 28.738 -0.095 0.000 1.131 344 Q HN 0.464 nan 8.270 nan 0.000 0.501 345 I N -0.076 120.530 120.570 0.059 0.000 4.018 345 I HA 0.107 4.278 4.170 0.001 0.000 0.337 345 I C 0.558 176.710 176.117 0.058 0.000 1.327 345 I CA 0.028 61.365 61.300 0.062 0.000 1.100 345 I CB 0.224 38.303 38.000 0.133 0.000 1.025 345 I HN -0.011 nan 8.210 nan 0.000 0.396 346 F N 1.880 121.846 119.950 0.027 0.000 2.280 346 F HA 0.172 4.700 4.527 0.001 0.000 0.185 346 F C 0.856 176.695 175.800 0.065 0.000 0.742 346 F CA 0.887 58.968 58.000 0.135 0.000 1.047 346 F CB -0.570 38.510 39.000 0.134 0.000 2.211 346 F HN 0.423 nan 8.300 nan 0.000 0.712 347 D N -0.138 120.435 120.400 0.289 0.000 8.697 347 D HA -0.297 4.344 4.640 0.001 0.000 0.339 347 D C 0.076 176.395 176.300 0.031 0.000 2.794 347 D CA 1.230 55.339 54.000 0.182 0.000 1.910 347 D CB -0.452 40.506 40.800 0.264 0.000 1.141 347 D HN 0.467 nan 8.370 nan 0.000 1.173 348 E N -0.811 119.421 120.200 0.054 0.000 2.358 348 E HA 0.173 4.524 4.350 0.001 0.000 0.195 348 E C 1.678 178.273 176.600 -0.008 0.000 1.010 348 E CA 0.713 57.129 56.400 0.028 0.000 0.856 348 E CB -0.099 29.616 29.700 0.024 0.000 0.795 348 E HN 0.575 nan 8.360 nan 0.000 0.504 349 I N 0.456 121.001 120.570 -0.042 0.000 2.110 349 I HA -0.276 3.894 4.170 0.001 0.000 0.236 349 I C 2.048 178.095 176.117 -0.117 0.000 1.068 349 I CA 1.030 62.259 61.300 -0.119 0.000 1.333 349 I CB -0.321 37.493 38.000 -0.311 0.000 1.054 349 I HN 0.027 nan 8.210 nan 0.000 0.402 350 S N 0.227 115.850 115.700 -0.127 0.000 2.369 350 S HA -0.243 4.228 4.470 0.001 0.000 0.225 350 S C 1.934 176.518 174.600 -0.026 0.000 1.043 350 S CA 1.920 60.012 58.200 -0.181 0.000 1.074 350 S CB -0.545 62.371 63.200 -0.473 0.000 0.962 350 S HN 0.325 nan 8.310 nan 0.000 0.433 351 Y N 1.168 121.577 120.300 0.181 0.000 2.231 351 Y HA 0.241 4.792 4.550 0.001 0.000 0.294 351 Y C 2.804 178.791 175.900 0.144 0.000 1.120 351 Y CA 0.156 58.374 58.100 0.196 0.000 1.141 351 Y CB -1.397 37.137 38.460 0.124 0.000 1.022 351 Y HN 0.294 nan 8.280 nan 0.000 0.523 352 G N 0.161 109.073 108.800 0.186 0.000 2.414 352 G HA2 -0.257 3.703 3.960 0.001 0.000 0.215 352 G HA3 -0.257 3.703 3.960 0.001 0.000 0.215 352 G C 1.723 176.597 174.900 -0.043 0.000 1.188 352 G CA 0.993 46.124 45.100 0.050 0.000 0.783 352 G HN 0.326 nan 8.290 nan 0.000 0.537 353 K N 0.421 120.737 120.400 -0.139 0.000 2.097 353 K HA 0.010 4.331 4.320 0.001 0.000 0.205 353 K C 2.576 178.985 176.600 -0.317 0.000 1.050 353 K CA 1.312 57.320 56.287 -0.465 0.000 0.938 353 K CB -0.553 31.646 32.500 -0.501 0.000 0.718 353 K HN 0.233 nan 8.250 nan 0.000 0.442 354 G N 0.490 109.275 108.800 -0.026 0.000 2.418 354 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 354 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 354 G C 1.560 176.647 174.900 0.311 0.000 1.158 354 G CA 0.864 46.111 45.100 0.244 0.000 0.771 354 G HN 0.425 nan 8.290 nan 0.000 0.545 355 A N 0.614 123.629 122.820 0.324 0.000 1.969 355 A HA 0.083 4.403 4.320 0.001 0.000 0.218 355 A C 2.680 180.509 177.584 0.409 0.000 1.169 355 A CA 2.097 54.382 52.037 0.414 0.000 0.635 355 A CB -0.449 18.900 19.000 0.582 0.000 0.810 355 A HN 0.300 nan 8.150 nan 0.000 0.445 356 S N -0.110 115.752 115.700 0.271 0.000 2.383 356 S HA -0.083 4.388 4.470 0.001 0.000 0.227 356 S C 1.743 176.339 174.600 -0.007 0.000 1.026 356 S CA 1.396 59.717 58.200 0.201 0.000 0.981 356 S CB -0.437 62.772 63.200 0.015 0.000 0.818 356 S HN 0.561 nan 8.310 nan 0.000 0.472 357 I N 1.291 121.763 120.570 -0.163 0.000 2.394 357 I HA -0.141 4.030 4.170 0.001 0.000 0.251 357 I C 1.960 177.949 176.117 -0.214 0.000 1.136 357 I CA 0.896 62.036 61.300 -0.266 0.000 1.425 357 I CB -0.307 37.534 38.000 -0.265 0.000 1.079 357 I HN 0.231 nan 8.210 nan 0.000 0.425 358 L N 0.185 121.329 121.223 -0.133 0.000 2.056 358 L HA -0.205 4.136 4.340 0.001 0.000 0.207 358 L C 2.762 179.263 176.870 -0.614 0.000 1.078 358 L CA 1.244 55.902 54.840 -0.304 0.000 0.749 358 L CB -0.550 41.292 42.059 -0.361 0.000 0.901 358 L HN 0.217 nan 8.230 nan 0.000 0.433 359 R N 0.433 120.694 120.500 -0.399 0.000 2.080 359 R HA -0.250 4.090 4.340 0.001 0.000 0.236 359 R C 2.441 178.587 176.300 -0.257 0.000 1.137 359 R CA 2.056 58.011 56.100 -0.242 0.000 0.943 359 R CB -0.322 30.000 30.300 0.037 0.000 0.846 359 R HN 0.235 nan 8.270 nan 0.000 0.431 360 M N 0.092 119.577 119.600 -0.191 0.000 2.106 360 M HA -0.189 4.291 4.480 0.001 0.000 0.259 360 M C 1.954 178.148 176.300 -0.176 0.000 1.068 360 M CA 1.621 56.813 55.300 -0.180 0.000 1.100 360 M CB -0.109 32.337 32.600 -0.257 0.000 1.351 360 M HN 0.310 nan 8.290 nan 0.000 0.404 361 I N 0.423 120.852 120.570 -0.235 0.000 2.676 361 I HA -0.194 3.976 4.170 0.001 0.000 0.259 361 I C 2.048 178.103 176.117 -0.103 0.000 1.194 361 I CA 1.423 62.661 61.300 -0.104 0.000 1.473 361 I CB -0.785 37.164 38.000 -0.084 0.000 1.096 361 I HN 0.527 nan 8.210 nan 0.000 0.443 362 E N 0.304 120.209 120.200 -0.491 0.000 2.072 362 E HA -0.255 4.096 4.350 0.001 0.000 0.190 362 E C 1.819 178.358 176.600 -0.103 0.000 0.982 362 E CA 1.095 57.048 56.400 -0.745 0.000 0.803 362 E CB -0.136 28.812 29.700 -1.252 0.000 0.755 362 E HN 0.418 nan 8.360 nan 0.000 0.453 363 D N -0.485 119.910 120.400 -0.007 0.000 2.219 363 D HA -0.183 4.457 4.640 0.001 0.000 0.205 363 D C 1.757 178.134 176.300 0.129 0.000 0.970 363 D CA 0.676 54.760 54.000 0.141 0.000 0.851 363 D CB -0.046 40.807 40.800 0.089 0.000 0.943 363 D HN 0.261 nan 8.370 nan 0.000 0.488 364 Y N 1.250 121.546 120.300 -0.007 0.000 2.184 364 Y HA 0.046 4.597 4.550 0.001 0.000 0.290 364 Y C 2.179 178.111 175.900 0.055 0.000 1.129 364 Y CA 1.919 60.027 58.100 0.013 0.000 1.144 364 Y CB -0.494 37.959 38.460 -0.012 0.000 0.995 364 Y HN -0.009 nan 8.280 nan 0.000 0.513 365 A N -0.131 122.698 122.820 0.015 0.000 2.072 365 A HA 0.420 4.740 4.320 0.001 0.000 0.216 365 A C 1.133 178.742 177.584 0.041 0.000 1.156 365 A CA 0.916 52.934 52.037 -0.031 0.000 0.701 365 A CB -1.050 18.066 19.000 0.194 0.000 0.816 365 A HN 0.922 nan 8.150 nan 0.000 0.458 366 G N -2.520 106.350 108.800 0.116 0.000 3.233 366 G HA2 -0.130 3.831 3.960 0.001 0.000 0.686 366 G HA3 -0.130 3.831 3.960 0.001 0.000 0.686 366 G C 0.104 175.196 174.900 0.320 0.000 1.153 366 G CA -0.170 45.023 45.100 0.155 0.000 0.853 366 G HN 0.253 nan 8.290 nan 0.000 0.582 367 Y N 0.821 121.172 120.300 0.086 0.000 2.040 367 Y HA -0.282 4.269 4.550 0.001 0.000 0.275 367 Y C 2.836 178.849 175.900 0.189 0.000 1.171 367 Y CA 1.960 60.151 58.100 0.151 0.000 1.123 367 Y CB 0.025 38.550 38.460 0.109 0.000 0.963 367 Y HN 0.782 nan 8.280 nan 0.000 0.493 368 E N 0.624 120.992 120.200 0.280 0.000 2.077 368 E HA -0.193 4.158 4.350 0.001 0.000 0.193 368 E C 1.738 178.414 176.600 0.127 0.000 0.989 368 E CA 1.600 58.087 56.400 0.144 0.000 0.800 368 E CB -0.129 29.624 29.700 0.087 0.000 0.746 368 E HN 0.465 nan 8.360 nan 0.000 0.452 369 E N -1.138 119.159 120.200 0.161 0.000 2.208 369 E HA -0.111 4.240 4.350 0.001 0.000 0.193 369 E C 1.700 178.420 176.600 0.199 0.000 0.988 369 E CA 0.477 56.963 56.400 0.143 0.000 0.828 369 E CB -0.183 29.589 29.700 0.120 0.000 0.763 369 E HN 0.284 nan 8.360 nan 0.000 0.478 370 F N 2.187 122.212 119.950 0.126 0.000 2.084 370 F HA -0.150 4.378 4.527 0.001 0.000 0.296 370 F C 2.442 178.352 175.800 0.183 0.000 1.111 370 F CA 1.551 59.648 58.000 0.163 0.000 1.224 370 F CB -0.090 39.012 39.000 0.171 0.000 0.991 370 F HN -0.218 nan 8.300 nan 0.000 0.471 371 R N 0.753 121.389 120.500 0.225 0.000 2.094 371 R HA -0.196 4.145 4.340 0.001 0.000 0.239 371 R C 2.220 178.483 176.300 -0.060 0.000 1.137 371 R CA 1.840 57.916 56.100 -0.040 0.000 0.943 371 R CB -0.327 29.760 30.300 -0.355 0.000 0.850 371 R HN 0.169 nan 8.270 nan 0.000 0.433 372 K N -0.325 120.063 120.400 -0.019 0.000 2.097 372 K HA -0.083 4.238 4.320 0.001 0.000 0.206 372 K C 2.076 178.694 176.600 0.030 0.000 1.049 372 K CA 1.399 57.690 56.287 0.006 0.000 0.933 372 K CB -0.650 31.863 32.500 0.022 0.000 0.717 372 K HN 0.458 nan 8.250 nan 0.000 0.442 373 G N 2.069 110.880 108.800 0.020 0.000 2.440 373 G HA2 -0.211 3.749 3.960 0.001 0.000 0.218 373 G HA3 -0.211 3.749 3.960 0.001 0.000 0.218 373 G C 1.545 176.457 174.900 0.020 0.000 1.154 373 G CA 0.503 45.617 45.100 0.023 0.000 0.767 373 G HN 0.104 nan 8.290 nan 0.000 0.552 374 I N 1.151 121.700 120.570 -0.036 0.000 2.179 374 I HA -0.136 4.035 4.170 0.001 0.000 0.242 374 I C 2.902 179.115 176.117 0.160 0.000 1.088 374 I CA 1.479 62.803 61.300 0.041 0.000 1.357 374 I CB -1.373 36.752 38.000 0.208 0.000 1.051 374 I HN 0.203 nan 8.210 nan 0.000 0.409 375 S N 0.451 116.244 115.700 0.156 0.000 2.365 375 S HA -0.267 4.204 4.470 0.001 0.000 0.225 375 S C 2.133 176.793 174.600 0.100 0.000 1.039 375 S CA 1.892 60.176 58.200 0.140 0.000 1.033 375 S CB -0.185 63.077 63.200 0.104 0.000 0.887 375 S HN 0.387 nan 8.310 nan 0.000 0.447 376 K N -0.833 119.621 120.400 0.090 0.000 2.097 376 K HA -0.178 4.142 4.320 0.001 0.000 0.206 376 K C 2.074 178.722 176.600 0.081 0.000 1.049 376 K CA 1.667 57.995 56.287 0.068 0.000 0.933 376 K CB -0.399 32.142 32.500 0.069 0.000 0.717 376 K HN 0.574 nan 8.250 nan 0.000 0.442 377 Y N 1.253 121.549 120.300 -0.007 0.000 2.163 377 Y HA -0.169 4.382 4.550 0.001 0.000 0.288 377 Y C 1.724 177.622 175.900 -0.002 0.000 1.136 377 Y CA 1.509 59.618 58.100 0.015 0.000 1.147 377 Y CB -0.252 38.182 38.460 -0.043 0.000 0.987 377 Y HN -0.015 nan 8.280 nan 0.000 0.509 378 L N 0.295 121.566 121.223 0.081 0.000 2.131 378 L HA -0.239 4.101 4.340 0.001 0.000 0.210 378 L C 2.020 178.809 176.870 -0.136 0.000 1.092 378 L CA 1.840 56.626 54.840 -0.089 0.000 0.759 378 L CB -0.579 41.460 42.059 -0.034 0.000 0.903 378 L HN 0.363 nan 8.230 nan 0.000 0.435 379 N N -0.628 118.025 118.700 -0.078 0.000 2.207 379 N HA -0.152 4.589 4.740 0.001 0.000 0.182 379 N C 1.250 176.659 175.510 -0.168 0.000 1.020 379 N CA 0.820 53.822 53.050 -0.080 0.000 0.858 379 N CB 0.196 38.669 38.487 -0.025 0.000 0.991 379 N HN 0.198 nan 8.380 nan 0.000 0.427 380 D N -0.414 119.825 120.400 -0.268 0.000 2.264 380 D HA -0.091 4.550 4.640 0.001 0.000 0.208 380 D C 0.536 176.361 176.300 -0.792 0.000 0.966 380 D CA 1.171 54.868 54.000 -0.505 0.000 0.864 380 D CB -0.000 40.433 40.800 -0.611 0.000 0.933 380 D HN 0.494 nan 8.370 nan 0.000 0.499 381 H N -0.187 118.706 119.070 -0.296 0.000 2.767 381 H HA 0.108 4.664 4.556 0.001 0.000 0.260 381 H C 0.116 175.275 175.328 -0.282 0.000 1.172 381 H CA -0.281 55.578 56.048 -0.314 0.000 1.048 381 H CB 0.397 29.863 29.762 -0.494 0.000 1.697 381 H HN 0.204 nan 8.280 nan 0.000 0.606 382 K N 0.701 120.993 120.400 -0.181 0.000 2.527 382 K HA -0.090 4.231 4.320 0.001 0.000 0.278 382 K C -0.291 176.241 176.600 -0.113 0.000 0.981 382 K CA 0.053 56.178 56.287 -0.271 0.000 1.009 382 K CB 0.158 32.510 32.500 -0.246 0.000 0.895 382 K HN 0.028 nan 8.250 nan 0.000 0.493 383 F N -0.630 119.290 119.950 -0.051 0.000 3.093 383 F HA -0.285 4.243 4.527 0.001 0.000 0.283 383 F C 0.828 176.598 175.800 -0.050 0.000 0.848 383 F CA 0.958 58.950 58.000 -0.014 0.000 1.059 383 F CB -1.687 37.339 39.000 0.042 0.000 1.191 383 F HN 0.931 nan 8.300 nan 0.000 0.514 384 G N -0.834 107.956 108.800 -0.017 0.000 3.135 384 G HA2 0.703 4.664 3.960 0.001 0.000 0.278 384 G HA3 0.703 4.664 3.960 0.001 0.000 0.278 384 G C -1.115 173.712 174.900 -0.122 0.000 1.302 384 G CA -0.829 44.253 45.100 -0.030 0.000 0.880 384 G HN 0.076 nan 8.290 nan 0.000 0.574 385 N N -1.222 117.404 118.700 -0.123 0.000 2.457 385 N HA 0.817 5.558 4.740 0.001 0.000 0.290 385 N C -0.430 174.881 175.510 -0.331 0.000 1.232 385 N CA 0.034 52.961 53.050 -0.206 0.000 0.852 385 N CB 2.324 40.726 38.487 -0.142 0.000 1.313 385 N HN 0.930 nan 8.380 nan 0.000 0.522 386 A N -0.269 122.314 122.820 -0.395 0.000 2.566 386 A HA 0.565 4.886 4.320 0.001 0.000 0.290 386 A C -1.733 175.674 177.584 -0.295 0.000 1.071 386 A CA -0.826 50.899 52.037 -0.520 0.000 0.658 386 A CB 0.981 19.377 19.000 -1.008 0.000 1.285 386 A HN 0.719 nan 8.150 nan 0.000 0.427 387 E N -0.115 119.951 120.200 -0.224 0.000 2.320 387 E HA 0.609 4.960 4.350 0.001 0.000 0.264 387 E C 0.921 177.417 176.600 -0.173 0.000 0.923 387 E CA -0.597 55.724 56.400 -0.133 0.000 0.796 387 E CB 1.364 31.036 29.700 -0.047 0.000 1.262 387 E HN 0.910 nan 8.360 nan 0.000 0.428 388 G N 1.201 109.894 108.800 -0.178 0.000 2.556 388 G HA2 -0.414 3.546 3.960 0.001 0.000 0.220 388 G HA3 -0.414 3.546 3.960 0.001 0.000 0.220 388 G C 1.538 176.031 174.900 -0.678 0.000 1.156 388 G CA 1.713 46.548 45.100 -0.441 0.000 0.766 388 G HN 0.625 nan 8.290 nan 0.000 0.583 389 S N 0.712 116.337 115.700 -0.125 0.000 2.420 389 S HA -0.162 4.309 4.470 0.001 0.000 0.237 389 S C 1.760 176.358 174.600 -0.004 0.000 1.023 389 S CA 1.835 60.080 58.200 0.075 0.000 0.991 389 S CB -0.321 62.981 63.200 0.169 0.000 0.792 389 S HN 0.425 nan 8.310 nan 0.000 0.488 390 D N 1.301 121.657 120.400 -0.073 0.000 2.144 390 D HA -0.003 4.638 4.640 0.001 0.000 0.200 390 D C 1.914 178.253 176.300 0.064 0.000 0.978 390 D CA 0.901 54.917 54.000 0.027 0.000 0.833 390 D CB -0.381 40.394 40.800 -0.042 0.000 0.961 390 D HN 0.385 nan 8.370 nan 0.000 0.470 391 L N 0.108 121.200 121.223 -0.218 0.000 2.027 391 L HA -0.086 4.254 4.340 0.001 0.000 0.206 391 L C 2.066 178.846 176.870 -0.151 0.000 1.074 391 L CA 1.583 56.144 54.840 -0.465 0.000 0.745 391 L CB -0.945 40.410 42.059 -1.173 0.000 0.898 391 L HN 0.125 nan 8.230 nan 0.000 0.433 392 W N -0.737 120.608 121.300 0.076 0.000 2.358 392 W HA -0.176 4.485 4.660 0.001 0.000 0.303 392 W C 2.355 178.946 176.519 0.122 0.000 1.208 392 W CA 0.795 58.209 57.345 0.115 0.000 1.274 392 W CB -0.978 28.570 29.460 0.146 0.000 1.138 392 W HN 0.029 nan 8.180 nan 0.000 0.515 393 T N 0.519 115.258 114.554 0.308 0.000 2.788 393 T HA -0.181 4.170 4.350 0.001 0.000 0.268 393 T C 1.981 176.791 174.700 0.183 0.000 1.044 393 T CA 1.669 63.903 62.100 0.222 0.000 1.139 393 T CB -0.533 68.438 68.868 0.172 0.000 0.867 393 T HN 0.236 nan 8.240 nan 0.000 0.454 394 A N 0.946 123.869 122.820 0.172 0.000 1.930 394 A HA 0.037 4.358 4.320 0.001 0.000 0.217 394 A C 2.205 179.872 177.584 0.139 0.000 1.175 394 A CA 1.052 53.178 52.037 0.148 0.000 0.627 394 A CB -0.617 18.483 19.000 0.167 0.000 0.815 394 A HN 0.546 nan 8.150 nan 0.000 0.443 395 I N -0.862 119.812 120.570 0.172 0.000 2.439 395 I HA -0.172 3.999 4.170 0.001 0.000 0.251 395 I C 2.436 178.664 176.117 0.186 0.000 1.139 395 I CA 1.374 62.785 61.300 0.184 0.000 1.438 395 I CB -0.217 37.941 38.000 0.265 0.000 1.085 395 I HN 0.489 nan 8.210 nan 0.000 0.427 396 E N 1.246 121.566 120.200 0.200 0.000 2.072 396 E HA -0.239 4.112 4.350 0.001 0.000 0.191 396 E C 1.561 178.236 176.600 0.125 0.000 0.985 396 E CA 1.420 57.923 56.400 0.171 0.000 0.801 396 E CB 0.149 29.959 29.700 0.183 0.000 0.750 396 E HN 0.387 nan 8.360 nan 0.000 0.452 397 D N -0.067 120.403 120.400 0.116 0.000 2.144 397 D HA -0.131 4.510 4.640 0.001 0.000 0.199 397 D C 1.971 178.316 176.300 0.075 0.000 0.984 397 D CA 0.957 55.010 54.000 0.089 0.000 0.834 397 D CB 0.027 40.877 40.800 0.083 0.000 0.955 397 D HN 0.148 nan 8.370 nan 0.000 0.465 398 V N 0.867 120.830 119.914 0.082 0.000 2.788 398 V HA -0.110 4.011 4.120 0.001 0.000 0.251 398 V C 2.485 178.619 176.094 0.066 0.000 1.068 398 V CA 1.570 63.911 62.300 0.069 0.000 1.090 398 V CB -0.168 31.698 31.823 0.072 0.000 0.710 398 V HN 0.236 nan 8.190 nan 0.000 0.467 399 S N -0.115 115.631 115.700 0.077 0.000 2.441 399 S HA 0.265 4.735 4.470 0.001 0.000 0.224 399 S C 1.838 176.455 174.600 0.028 0.000 1.043 399 S CA 1.085 59.317 58.200 0.054 0.000 0.948 399 S CB 0.566 63.805 63.200 0.065 0.000 0.810 399 S HN 1.074 nan 8.310 nan 0.000 0.504 400 G N 1.090 109.918 108.800 0.047 0.000 2.195 400 G HA2 -0.179 3.782 3.960 0.001 0.000 0.246 400 G HA3 -0.179 3.782 3.960 0.001 0.000 0.246 400 G C -0.034 174.890 174.900 0.039 0.000 0.984 400 G CA 0.160 45.283 45.100 0.039 0.000 0.633 400 G HN 0.529 nan 8.290 nan 0.000 0.525 401 K N 1.141 121.559 120.400 0.031 0.000 2.118 401 K HA 0.425 4.746 4.320 0.001 0.000 0.267 401 K C -2.352 174.346 176.600 0.164 0.000 0.991 401 K CA -1.924 54.393 56.287 0.050 0.000 0.916 401 K CB 1.919 34.332 32.500 -0.144 0.000 1.041 401 K HN 0.090 nan 8.250 nan 0.000 0.455 402 P HA 0.028 nan 4.420 nan 0.000 0.231 402 P C 0.850 178.293 177.300 0.239 0.000 1.756 402 P CA -0.009 63.211 63.100 0.199 0.000 0.990 402 P CB -0.101 31.697 31.700 0.165 0.000 1.973 403 V N 1.748 121.821 119.914 0.266 0.000 2.392 403 V HA -0.251 3.870 4.120 0.001 0.000 0.249 403 V C 2.738 178.935 176.094 0.173 0.000 1.059 403 V CA 2.019 64.472 62.300 0.256 0.000 1.051 403 V CB -0.980 31.022 31.823 0.299 0.000 0.658 403 V HN 0.340 nan 8.190 nan 0.000 0.455 404 K N 0.210 120.742 120.400 0.221 0.000 2.057 404 K HA -0.219 4.101 4.320 0.001 0.000 0.207 404 K C 2.396 179.090 176.600 0.155 0.000 1.049 404 K CA 1.680 58.105 56.287 0.230 0.000 0.931 404 K CB -0.153 32.504 32.500 0.262 0.000 0.714 404 K HN 0.351 nan 8.250 nan 0.000 0.440 405 R N 0.211 120.800 120.500 0.149 0.000 2.075 405 R HA -0.101 4.240 4.340 0.001 0.000 0.232 405 R C 1.976 178.367 176.300 0.152 0.000 1.126 405 R CA 1.495 57.679 56.100 0.140 0.000 0.963 405 R CB -0.178 30.193 30.300 0.118 0.000 0.858 405 R HN 0.049 nan 8.270 nan 0.000 0.435 406 V N 1.094 121.084 119.914 0.127 0.000 2.223 406 V HA -0.281 3.840 4.120 0.001 0.000 0.244 406 V C 2.426 178.650 176.094 0.216 0.000 1.045 406 V CA 1.995 64.391 62.300 0.159 0.000 1.000 406 V CB -0.549 31.274 31.823 0.001 0.000 0.635 406 V HN 0.336 nan 8.190 nan 0.000 0.445 407 M N 0.069 119.643 119.600 -0.044 0.000 2.106 407 M HA -0.209 4.272 4.480 0.001 0.000 0.259 407 M C 2.056 178.290 176.300 -0.111 0.000 1.068 407 M CA 1.785 56.915 55.300 -0.283 0.000 1.100 407 M CB -0.812 31.215 32.600 -0.954 0.000 1.351 407 M HN 0.400 nan 8.290 nan 0.000 0.404 408 E N -2.205 117.989 120.200 -0.010 0.000 2.150 408 E HA -0.234 4.116 4.350 0.001 0.000 0.193 408 E C 1.916 178.581 176.600 0.108 0.000 0.985 408 E CA 1.245 57.704 56.400 0.099 0.000 0.814 408 E CB -0.333 29.462 29.700 0.157 0.000 0.752 408 E HN 0.623 nan 8.360 nan 0.000 0.466 409 Y N -0.360 119.982 120.300 0.070 0.000 2.200 409 Y HA -0.215 4.336 4.550 0.001 0.000 0.290 409 Y C 1.570 177.490 175.900 0.034 0.000 1.137 409 Y CA 1.444 59.545 58.100 0.002 0.000 1.163 409 Y CB -0.165 38.268 38.460 -0.046 0.000 0.988 409 Y HN 0.034 nan 8.280 nan 0.000 0.518 410 W N 0.062 121.479 121.300 0.196 0.000 2.465 410 W HA -0.076 4.585 4.660 0.001 0.000 0.268 410 W C 1.939 178.446 176.519 -0.020 0.000 1.242 410 W CA 1.106 58.573 57.345 0.203 0.000 1.248 410 W CB -0.209 29.332 29.460 0.135 0.000 1.118 410 W HN 0.078 nan 8.180 nan 0.000 0.587 411 I N -0.289 120.337 120.570 0.093 0.000 2.494 411 I HA -0.162 4.009 4.170 0.001 0.000 0.250 411 I C 2.031 178.078 176.117 -0.116 0.000 1.112 411 I CA 1.127 62.370 61.300 -0.095 0.000 1.438 411 I CB -0.277 37.693 38.000 -0.050 0.000 1.111 411 I HN -0.182 nan 8.210 nan 0.000 0.431 412 K N 0.420 120.750 120.400 -0.116 0.000 2.243 412 K HA 0.057 4.377 4.320 0.001 0.000 0.201 412 K C 0.287 176.756 176.600 -0.218 0.000 1.051 412 K CA 0.496 56.692 56.287 -0.151 0.000 0.970 412 K CB 0.032 32.436 32.500 -0.160 0.000 0.755 412 K HN 0.283 nan 8.250 nan 0.000 0.465 413 N N 2.095 120.602 118.700 -0.323 0.000 2.430 413 N HA 0.208 4.949 4.740 0.001 0.000 0.292 413 N C -2.613 172.861 175.510 -0.060 0.000 1.051 413 N CA -1.368 51.488 53.050 -0.324 0.000 0.917 413 N CB 1.444 39.488 38.487 -0.739 0.000 1.164 413 N HN -0.023 nan 8.380 nan 0.000 0.484 414 P HA 0.223 nan 4.420 nan 0.000 0.276 414 P C 0.470 177.926 177.300 0.259 0.000 1.244 414 P CA 0.310 63.461 63.100 0.084 0.000 0.801 414 P CB 0.839 32.559 31.700 0.033 0.000 1.006 415 G N 0.792 109.744 108.800 0.253 0.000 2.741 415 G HA2 -0.065 3.896 3.960 0.001 0.000 0.222 415 G HA3 -0.065 3.896 3.960 0.001 0.000 0.222 415 G C -1.347 173.725 174.900 0.287 0.000 1.364 415 G CA -0.002 45.252 45.100 0.258 0.000 0.866 415 G HN 0.838 nan 8.290 nan 0.000 0.555 416 Y N -3.351 116.815 120.300 -0.222 0.000 2.670 416 Y HA 0.857 5.408 4.550 0.001 0.000 0.334 416 Y C -2.762 172.551 175.900 -0.979 0.000 1.185 416 Y CA -1.988 55.579 58.100 -0.888 0.000 1.053 416 Y CB 1.273 39.627 38.460 -0.177 0.000 1.298 416 Y HN 0.686 nan 8.280 nan 0.000 0.459 417 P HA 0.378 nan 4.420 nan 0.000 0.283 417 P C -1.408 175.890 177.300 -0.004 0.000 1.271 417 P CA -0.554 62.329 63.100 -0.362 0.000 0.841 417 P CB 2.936 34.438 31.700 -0.330 0.000 1.122 418 V N 2.948 122.865 119.914 0.005 0.000 2.487 418 V HA 0.348 4.469 4.120 0.001 0.000 0.298 418 V C -0.563 175.479 176.094 -0.087 0.000 1.028 418 V CA -1.106 61.202 62.300 0.013 0.000 0.860 418 V CB 1.091 32.943 31.823 0.048 0.000 0.991 418 V HN 0.255 nan 8.190 nan 0.000 0.427 419 I N 6.806 127.326 120.570 -0.083 0.000 2.337 419 I HA 0.414 4.585 4.170 0.001 0.000 0.291 419 I C 0.399 176.348 176.117 -0.280 0.000 1.046 419 I CA -0.042 61.149 61.300 -0.181 0.000 1.324 419 I CB 0.869 38.802 38.000 -0.111 0.000 1.409 419 I HN 0.606 nan 8.210 nan 0.000 0.494 420 K N 6.747 126.871 120.400 -0.461 0.000 2.159 420 K HA 0.649 4.970 4.320 0.001 0.000 0.266 420 K C -0.395 176.020 176.600 -0.309 0.000 0.975 420 K CA -0.639 55.359 56.287 -0.481 0.000 0.865 420 K CB 2.209 34.264 32.500 -0.743 0.000 1.087 420 K HN 0.405 nan 8.250 nan 0.000 0.446 421 L N 2.067 123.209 121.223 -0.135 0.000 2.492 421 L HA 0.524 4.864 4.340 0.001 0.000 0.263 421 L C -0.432 176.490 176.870 0.087 0.000 1.062 421 L CA -0.860 53.984 54.840 0.006 0.000 0.817 421 L CB 0.834 42.919 42.059 0.043 0.000 1.441 421 L HN 0.657 nan 8.230 nan 0.000 0.493 422 K N -0.673 119.789 120.400 0.104 0.000 2.301 422 K HA 0.259 4.580 4.320 0.001 0.000 0.365 422 K C -0.911 175.741 176.600 0.086 0.000 1.459 422 K CA -0.616 55.734 56.287 0.105 0.000 1.166 422 K CB 0.574 33.151 32.500 0.128 0.000 1.406 422 K HN 0.353 nan 8.250 nan 0.000 0.475 423 R N 1.549 122.096 120.500 0.079 0.000 0.587 423 R HA 0.224 4.565 4.340 0.001 0.000 0.048 423 R C -0.093 176.238 176.300 0.052 0.000 0.448 423 R CA -0.096 56.043 56.100 0.065 0.000 2.164 423 R CB -0.164 30.174 30.300 0.064 0.000 0.482 423 R HN 0.877 nan 8.270 nan 0.000 0.806 424 N N -0.506 118.220 118.700 0.044 0.000 3.996 424 N HA -0.152 4.589 4.740 0.001 0.000 0.296 424 N C 0.051 175.578 175.510 0.029 0.000 2.150 424 N CA 0.902 53.972 53.050 0.034 0.000 2.698 424 N CB -0.301 38.205 38.487 0.032 0.000 0.443 424 N HN 0.877 nan 8.380 nan 0.000 0.615 425 G N 2.842 111.656 108.800 0.025 0.000 2.143 425 G HA2 -0.348 3.613 3.960 0.001 0.000 0.249 425 G HA3 -0.348 3.613 3.960 0.001 0.000 0.249 425 G C 0.569 175.483 174.900 0.023 0.000 0.981 425 G CA 1.161 46.274 45.100 0.021 0.000 0.665 425 G HN 1.078 nan 8.290 nan 0.000 0.528 426 R N -0.773 119.743 120.500 0.027 0.000 4.000 426 R HA -0.248 4.093 4.340 0.001 0.000 0.348 426 R C 0.834 177.152 176.300 0.029 0.000 1.204 426 R CA 2.105 58.222 56.100 0.027 0.000 0.987 426 R CB -1.134 29.180 30.300 0.022 0.000 1.446 426 R HN 0.631 nan 8.270 nan 0.000 0.555 427 K N 1.583 122.001 120.400 0.030 0.000 2.385 427 K HA 0.238 4.558 4.320 0.001 0.000 0.229 427 K C -0.093 176.531 176.600 0.040 0.000 1.089 427 K CA -0.409 55.897 56.287 0.031 0.000 1.060 427 K CB 0.129 32.645 32.500 0.026 0.000 1.698 427 K HN 0.173 nan 8.250 nan 0.000 0.469 428 I N 2.745 123.343 120.570 0.046 0.000 2.845 428 I HA -0.108 4.063 4.170 0.001 0.000 0.290 428 I C 0.726 176.880 176.117 0.061 0.000 1.202 428 I CA 0.757 62.093 61.300 0.059 0.000 1.406 428 I CB 0.482 38.522 38.000 0.066 0.000 1.383 428 I HN 0.446 nan 8.210 nan 0.000 0.549 429 T N 8.104 122.701 114.554 0.072 0.000 2.856 429 T HA 0.772 5.123 4.350 0.001 0.000 0.283 429 T C -0.512 174.258 174.700 0.116 0.000 1.008 429 T CA -0.941 61.208 62.100 0.081 0.000 0.997 429 T CB 0.993 69.905 68.868 0.073 0.000 0.992 429 T HN 0.537 nan 8.240 nan 0.000 0.454 430 M N 3.818 123.487 119.600 0.113 0.000 2.457 430 M HA 0.725 5.206 4.480 0.001 0.000 0.300 430 M C -1.589 174.817 176.300 0.177 0.000 1.141 430 M CA -1.200 54.166 55.300 0.110 0.000 0.901 430 M CB 2.019 34.629 32.600 0.017 0.000 1.687 430 M HN 0.717 nan 8.290 nan 0.000 0.449 431 Y N -0.241 120.052 120.300 -0.011 0.000 2.638 431 Y HA 0.781 5.332 4.550 0.001 0.000 0.339 431 Y C -1.297 174.598 175.900 -0.008 0.000 1.084 431 Y CA -1.110 56.985 58.100 -0.008 0.000 1.068 431 Y CB 1.185 39.645 38.460 -0.001 0.000 1.294 431 Y HN 0.882 nan 8.280 nan 0.000 0.480 432 Q N 0.626 120.474 119.800 0.080 0.000 2.399 432 Q HA 0.840 5.180 4.340 0.001 0.000 0.276 432 Q C -1.279 174.778 176.000 0.095 0.000 1.098 432 Q CA -0.827 54.968 55.803 -0.013 0.000 0.827 432 Q CB 2.800 31.558 28.738 0.033 0.000 1.386 432 Q HN 0.947 nan 8.270 nan 0.000 0.443 433 T N -1.888 112.704 114.554 0.063 0.000 2.843 433 T HA 0.465 4.815 4.350 0.001 0.000 0.302 433 T C -0.930 173.856 174.700 0.143 0.000 1.232 433 T CA -1.110 61.070 62.100 0.132 0.000 1.009 433 T CB 1.688 70.633 68.868 0.128 0.000 1.254 433 T HN 0.776 nan 8.240 nan 0.000 0.504 434 R N 0.963 121.575 120.500 0.188 0.000 2.389 434 R HA 0.446 4.787 4.340 0.001 0.000 0.295 434 R C -0.955 175.364 176.300 0.032 0.000 1.075 434 R CA -0.692 55.512 56.100 0.173 0.000 1.005 434 R CB 0.202 30.657 30.300 0.259 0.000 0.987 434 R HN 0.648 nan 8.270 nan 0.000 0.452 435 F N 6.114 125.907 119.950 -0.262 0.000 2.438 435 F HA 0.365 4.892 4.527 0.001 0.000 0.356 435 F C -1.133 174.508 175.800 -0.267 0.000 1.099 435 F CA -0.180 57.657 58.000 -0.271 0.000 1.185 435 F CB 0.481 39.268 39.000 -0.355 0.000 1.115 435 F HN 0.352 nan 8.300 nan 0.000 0.526 436 L N 7.203 127.891 121.223 -0.892 0.000 2.445 436 L HA 0.280 4.620 4.340 0.001 0.000 0.262 436 L C 0.551 176.995 176.870 -0.709 0.000 0.974 436 L CA -0.748 53.703 54.840 -0.648 0.000 0.822 436 L CB 2.385 44.266 42.059 -0.296 0.000 1.339 436 L HN 0.651 nan 8.230 nan 0.000 0.409 437 L N 0.972 121.904 121.223 -0.484 0.000 2.275 437 L HA -0.014 4.326 4.340 0.001 0.000 0.215 437 L C 0.693 177.437 176.870 -0.210 0.000 1.119 437 L CA 1.275 55.929 54.840 -0.309 0.000 0.790 437 L CB -0.150 41.808 42.059 -0.169 0.000 0.919 437 L HN 0.659 nan 8.230 nan 0.000 0.443 438 N N -0.113 118.472 118.700 -0.191 0.000 2.750 438 N HA 0.403 5.143 4.740 0.001 0.000 0.253 438 N C -0.311 175.123 175.510 -0.126 0.000 1.408 438 N CA 0.249 53.217 53.050 -0.136 0.000 0.780 438 N CB 0.732 39.162 38.487 -0.096 0.000 1.191 438 N HN 0.215 nan 8.380 nan 0.000 0.511 439 G N 1.344 110.062 108.800 -0.137 0.000 2.331 439 G HA2 -0.002 3.959 3.960 0.001 0.000 0.402 439 G HA3 -0.002 3.959 3.960 0.001 0.000 0.402 439 G C -1.717 173.125 174.900 -0.097 0.000 1.275 439 G CA -0.823 44.214 45.100 -0.105 0.000 1.003 439 G HN 0.428 nan 8.290 nan 0.000 0.500 440 E N -1.054 119.113 120.200 -0.055 0.000 2.401 440 E HA 0.578 4.929 4.350 0.001 0.000 0.280 440 E C -1.431 175.172 176.600 0.005 0.000 1.039 440 E CA -0.724 55.669 56.400 -0.012 0.000 0.814 440 E CB 1.819 31.531 29.700 0.020 0.000 1.275 440 E HN 0.480 nan 8.360 nan 0.000 0.448 441 E N 0.928 121.150 120.200 0.036 0.000 2.449 441 E HA 0.240 4.591 4.350 0.001 0.000 0.278 441 E C -1.070 175.573 176.600 0.072 0.000 0.992 441 E CA -0.833 55.591 56.400 0.039 0.000 0.807 441 E CB 1.118 30.835 29.700 0.029 0.000 1.350 441 E HN 0.413 nan 8.360 nan 0.000 0.462 442 E N 0.452 120.682 120.200 0.050 0.000 2.418 442 E HA 0.365 4.715 4.350 0.001 0.000 0.261 442 E C 0.064 176.717 176.600 0.088 0.000 1.070 442 E CA 0.068 56.504 56.400 0.059 0.000 0.931 442 E CB 0.666 30.375 29.700 0.015 0.000 0.954 442 E HN 0.534 nan 8.360 nan 0.000 0.439 443 G N 1.220 110.095 108.800 0.125 0.000 2.478 443 G HA2 0.453 4.414 3.960 0.001 0.000 0.317 443 G HA3 0.453 4.414 3.960 0.001 0.000 0.317 443 G C 0.056 174.993 174.900 0.062 0.000 1.259 443 G CA -0.585 44.644 45.100 0.215 0.000 0.933 443 G HN 0.316 nan 8.290 nan 0.000 0.478 444 R N 1.621 122.053 120.500 -0.114 0.000 2.668 444 R HA 0.107 4.448 4.340 0.001 0.000 0.435 444 R C -0.588 175.394 176.300 -0.530 0.000 1.059 444 R CA -0.571 55.384 56.100 -0.241 0.000 1.073 444 R CB 0.713 30.877 30.300 -0.226 0.000 1.401 444 R HN 0.503 nan 8.270 nan 0.000 0.590 445 W N 3.109 124.177 121.300 -0.387 0.000 2.272 445 W HA 0.211 4.872 4.660 0.001 0.000 0.318 445 W C -2.150 174.126 176.519 -0.406 0.000 1.255 445 W CA -2.000 55.001 57.345 -0.572 0.000 1.200 445 W CB 1.070 30.224 29.460 -0.510 0.000 1.170 445 W HN -0.126 nan 8.180 nan 0.000 0.549 446 P HA 0.070 nan 4.420 nan 0.000 0.245 446 P C -0.513 176.915 177.300 0.213 0.000 1.740 446 P CA 0.022 63.111 63.100 -0.017 0.000 1.125 446 P CB 1.060 32.720 31.700 -0.066 0.000 1.747 447 V N 5.414 125.432 119.914 0.173 0.000 2.406 447 V HA 0.365 4.486 4.120 0.001 0.000 0.272 447 V C -2.490 173.597 176.094 -0.012 0.000 1.043 447 V CA -2.807 59.614 62.300 0.200 0.000 0.915 447 V CB 1.153 33.011 31.823 0.059 0.000 0.988 447 V HN 0.204 nan 8.190 nan 0.000 0.466 448 P HA 0.260 nan 4.420 nan 0.000 0.276 448 P C -1.011 176.312 177.300 0.038 0.000 1.264 448 P CA 0.154 63.211 63.100 -0.072 0.000 0.769 448 P CB 0.909 32.465 31.700 -0.240 0.000 0.840 449 V N 4.863 124.815 119.914 0.063 0.000 2.513 449 V HA 0.379 4.500 4.120 0.001 0.000 0.299 449 V C 0.082 176.250 176.094 0.123 0.000 1.035 449 V CA -0.542 61.819 62.300 0.102 0.000 0.889 449 V CB 1.951 33.788 31.823 0.025 0.000 0.988 449 V HN 0.346 nan 8.190 nan 0.000 0.440 450 N N 3.851 122.635 118.700 0.140 0.000 2.476 450 N HA 0.517 5.258 4.740 0.001 0.000 0.257 450 N C -0.947 174.605 175.510 0.070 0.000 0.970 450 N CA -0.490 52.611 53.050 0.085 0.000 0.938 450 N CB 1.165 39.688 38.487 0.059 0.000 1.144 450 N HN 0.443 nan 8.380 nan 0.000 0.500 451 I N 1.561 122.160 120.570 0.049 0.000 2.304 451 I HA 0.215 4.385 4.170 0.001 0.000 0.291 451 I C 0.643 176.764 176.117 0.007 0.000 1.018 451 I CA -0.553 60.770 61.300 0.037 0.000 1.260 451 I CB 0.602 38.622 38.000 0.033 0.000 1.390 451 I HN 0.363 nan 8.210 nan 0.000 0.475 452 K N 7.296 127.691 120.400 -0.008 0.000 2.258 452 K HA 0.429 4.750 4.320 0.001 0.000 0.284 452 K C -0.691 175.871 176.600 -0.063 0.000 1.051 452 K CA -0.351 55.913 56.287 -0.039 0.000 0.923 452 K CB 0.997 33.464 32.500 -0.055 0.000 1.046 452 K HN 0.562 nan 8.250 nan 0.000 0.474 453 K N 2.912 123.277 120.400 -0.059 0.000 2.480 453 K HA 0.243 4.564 4.320 0.001 0.000 0.258 453 K C 0.211 176.778 176.600 -0.056 0.000 0.990 453 K CA -0.932 55.315 56.287 -0.068 0.000 0.857 453 K CB 1.734 34.210 32.500 -0.040 0.000 1.384 453 K HN 0.361 nan 8.250 nan 0.000 0.446 454 K N 0.466 120.838 120.400 -0.048 0.000 2.211 454 K HA -0.128 4.193 4.320 0.001 0.000 0.203 454 K C 0.816 177.410 176.600 -0.011 0.000 1.050 454 K CA 1.281 57.559 56.287 -0.016 0.000 0.945 454 K CB 0.108 32.617 32.500 0.015 0.000 0.732 454 K HN 0.457 nan 8.250 nan 0.000 0.451 455 D N -0.359 120.033 120.400 -0.013 0.000 2.305 455 D HA 0.037 4.678 4.640 0.001 0.000 0.206 455 D C 0.612 176.904 176.300 -0.014 0.000 0.974 455 D CA 0.654 54.648 54.000 -0.010 0.000 0.871 455 D CB 0.634 41.430 40.800 -0.006 0.000 0.947 455 D HN 0.277 nan 8.370 nan 0.000 0.516 456 G N -1.510 107.278 108.800 -0.019 0.000 2.336 456 G HA2 0.303 4.264 3.960 0.001 0.000 0.286 456 G HA3 0.303 4.264 3.960 0.001 0.000 0.286 456 G C -1.847 173.038 174.900 -0.025 0.000 1.269 456 G CA -0.279 44.808 45.100 -0.022 0.000 0.873 456 G HN -0.067 nan 8.290 nan 0.000 0.494 457 V N 1.859 121.758 119.914 -0.024 0.000 2.385 457 V HA 0.386 4.507 4.120 0.001 0.000 0.277 457 V C -0.167 175.921 176.094 -0.010 0.000 1.012 457 V CA -0.676 61.612 62.300 -0.020 0.000 0.832 457 V CB 0.878 32.682 31.823 -0.030 0.000 1.028 457 V HN 0.845 nan 8.190 nan 0.000 0.436 458 E N 4.828 125.029 120.200 0.001 0.000 2.313 458 E HA 0.617 4.968 4.350 0.001 0.000 0.276 458 E C -0.662 175.954 176.600 0.027 0.000 1.031 458 E CA -0.831 55.576 56.400 0.011 0.000 0.857 458 E CB 1.566 31.275 29.700 0.014 0.000 1.040 458 E HN 0.517 nan 8.360 nan 0.000 0.408 459 R N 2.675 123.195 120.500 0.033 0.000 2.494 459 R HA 0.553 4.894 4.340 0.001 0.000 0.305 459 R C -0.139 176.208 176.300 0.078 0.000 0.959 459 R CA -0.605 55.533 56.100 0.062 0.000 0.864 459 R CB 1.247 31.583 30.300 0.060 0.000 1.159 459 R HN 0.682 nan 8.270 nan 0.000 0.446 460 I N -1.006 119.623 120.570 0.099 0.000 3.239 460 I HA 0.559 4.730 4.170 0.001 0.000 0.314 460 I C -1.438 174.758 176.117 0.131 0.000 1.126 460 I CA -1.453 59.907 61.300 0.101 0.000 0.973 460 I CB 1.945 39.984 38.000 0.064 0.000 1.252 460 I HN 0.365 nan 8.210 nan 0.000 0.463 461 L N 3.527 124.822 121.223 0.121 0.000 2.301 461 L HA 0.511 4.852 4.340 0.001 0.000 0.278 461 L C -1.099 175.798 176.870 0.044 0.000 1.022 461 L CA -0.358 54.542 54.840 0.099 0.000 0.854 461 L CB 1.019 43.164 42.059 0.144 0.000 1.226 461 L HN 0.660 nan 8.230 nan 0.000 0.429 462 L N 5.142 126.372 121.223 0.011 0.000 2.369 462 L HA 0.260 4.600 4.340 0.001 0.000 0.279 462 L C 0.546 177.413 176.870 -0.005 0.000 1.108 462 L CA 0.149 54.986 54.840 -0.005 0.000 0.852 462 L CB 0.453 42.485 42.059 -0.046 0.000 1.169 462 L HN 0.722 nan 8.230 nan 0.000 0.452 463 E N 2.929 123.128 120.200 -0.002 0.000 2.933 463 E HA 0.127 4.478 4.350 0.001 0.000 0.301 463 E C 0.064 176.660 176.600 -0.005 0.000 0.836 463 E CA -0.263 56.125 56.400 -0.021 0.000 1.213 463 E CB 0.066 29.753 29.700 -0.023 0.000 2.349 463 E HN 0.644 nan 8.360 nan 0.000 0.558 464 D N 1.518 121.919 120.400 0.002 0.000 2.124 464 D HA 0.066 4.707 4.640 0.001 0.000 0.286 464 D C 0.530 176.856 176.300 0.043 0.000 1.130 464 D CA 0.074 54.085 54.000 0.018 0.000 1.031 464 D CB -0.014 40.790 40.800 0.006 0.000 1.148 464 D HN 0.068 nan 8.370 nan 0.000 0.489 465 E N -0.281 119.946 120.200 0.045 0.000 2.397 465 E HA 0.463 4.814 4.350 0.001 0.000 0.254 465 E C -0.661 175.968 176.600 0.048 0.000 1.231 465 E CA -0.302 56.137 56.400 0.065 0.000 0.954 465 E CB 0.859 30.584 29.700 0.043 0.000 1.024 465 E HN 0.424 nan 8.360 nan 0.000 0.481 466 A N 0.868 123.721 122.820 0.055 0.000 2.573 466 A HA 0.396 4.717 4.320 0.001 0.000 0.299 466 A C -1.102 176.510 177.584 0.047 0.000 1.060 466 A CA -0.542 51.520 52.037 0.042 0.000 0.736 466 A CB 1.811 20.832 19.000 0.035 0.000 1.280 466 A HN 0.321 nan 8.150 nan 0.000 0.401 467 S N 1.589 117.312 115.700 0.039 0.000 2.566 467 S HA 0.881 5.352 4.470 0.001 0.000 0.298 467 S C -0.652 173.969 174.600 0.035 0.000 1.083 467 S CA -0.511 57.714 58.200 0.040 0.000 0.978 467 S CB 0.987 64.209 63.200 0.036 0.000 1.073 467 S HN 1.823 nan 8.310 nan 0.000 0.491 468 I N 0.423 121.015 120.570 0.037 0.000 2.802 468 I HA 0.571 4.742 4.170 0.001 0.000 0.298 468 I C -0.703 175.432 176.117 0.030 0.000 1.176 468 I CA -0.919 60.400 61.300 0.031 0.000 1.025 468 I CB 1.199 39.218 38.000 0.032 0.000 1.243 468 I HN 0.669 nan 8.210 nan 0.000 0.424 469 E N 3.269 123.483 120.200 0.023 0.000 2.480 469 E HA 0.254 4.605 4.350 0.001 0.000 0.258 469 E C 1.134 177.746 176.600 0.021 0.000 0.984 469 E CA 0.397 56.809 56.400 0.021 0.000 0.930 469 E CB 1.193 30.902 29.700 0.016 0.000 0.936 469 E HN 0.725 nan 8.360 nan 0.000 0.466 470 A N 3.941 126.776 122.820 0.024 0.000 1.972 470 A HA -0.156 4.165 4.320 0.001 0.000 0.219 470 A C 0.665 178.257 177.584 0.014 0.000 1.169 470 A CA 0.765 52.816 52.037 0.024 0.000 0.635 470 A CB -0.174 18.845 19.000 0.031 0.000 0.810 470 A HN 0.670 nan 8.150 nan 0.000 0.446 471 D N -0.826 119.582 120.400 0.014 0.000 2.520 471 D HA 0.354 4.995 4.640 0.001 0.000 0.243 471 D C 1.349 177.650 176.300 0.002 0.000 1.160 471 D CA 1.769 55.776 54.000 0.012 0.000 0.877 471 D CB 0.082 40.890 40.800 0.013 0.000 1.150 471 D HN 0.518 nan 8.370 nan 0.000 0.494 472 G N 2.952 111.752 108.800 0.001 0.000 2.212 472 G HA2 -0.272 3.689 3.960 0.001 0.000 0.266 472 G HA3 -0.272 3.689 3.960 0.001 0.000 0.266 472 G C 0.415 175.267 174.900 -0.081 0.000 0.978 472 G CA 0.025 45.113 45.100 -0.021 0.000 0.632 472 G HN 0.566 nan 8.290 nan 0.000 0.537 473 L N 1.786 122.967 121.223 -0.070 0.000 2.562 473 L HA 0.459 4.800 4.340 0.001 0.000 0.271 473 L C 0.003 176.744 176.870 -0.214 0.000 1.167 473 L CA 0.461 55.246 54.840 -0.090 0.000 0.917 473 L CB 0.477 42.520 42.059 -0.027 0.000 1.187 473 L HN 0.338 nan 8.230 nan 0.000 0.482 474 I N 7.129 127.550 120.570 -0.250 0.000 2.521 474 I HA 0.265 4.436 4.170 0.001 0.000 0.277 474 I C -0.646 175.349 176.117 -0.203 0.000 1.054 474 I CA -0.418 60.647 61.300 -0.391 0.000 1.117 474 I CB 0.532 38.189 38.000 -0.572 0.000 1.217 474 I HN 0.797 nan 8.210 nan 0.000 0.469 475 K N 5.623 125.930 120.400 -0.155 0.000 7.415 475 K HA -0.126 4.194 4.320 0.001 0.000 0.652 475 K C -1.636 175.013 176.600 0.082 0.000 2.588 475 K CA 0.629 56.896 56.287 -0.034 0.000 1.948 475 K CB -0.162 32.284 32.500 -0.091 0.000 2.086 475 K HN 0.702 nan 8.250 nan 0.000 0.274 476 I N 2.664 123.379 120.570 0.243 0.000 2.664 476 I HA 0.189 4.359 4.170 0.001 0.000 0.308 476 I C 1.304 177.489 176.117 0.113 0.000 0.984 476 I CA -0.194 61.207 61.300 0.169 0.000 1.213 476 I CB 1.050 39.159 38.000 0.181 0.000 1.379 476 I HN 0.892 nan 8.210 nan 0.000 0.501 477 N N 3.188 121.947 118.700 0.097 0.000 2.663 477 N HA -0.155 4.586 4.740 0.001 0.000 0.263 477 N C -0.301 175.176 175.510 -0.054 0.000 1.109 477 N CA -0.008 53.046 53.050 0.007 0.000 0.701 477 N CB -0.106 38.250 38.487 -0.217 0.000 0.879 477 N HN 0.819 nan 8.380 nan 0.000 0.550 478 A N 2.213 125.018 122.820 -0.025 0.000 2.566 478 A HA 0.094 4.415 4.320 0.001 0.000 0.245 478 A C 1.043 178.577 177.584 -0.084 0.000 1.056 478 A CA 1.096 53.101 52.037 -0.052 0.000 0.757 478 A CB 0.163 19.140 19.000 -0.039 0.000 0.979 478 A HN 0.695 nan 8.150 nan 0.000 0.508 479 D N 1.051 121.387 120.400 -0.107 0.000 2.911 479 D HA -0.172 4.468 4.640 0.001 0.000 0.227 479 D C 0.482 176.680 176.300 -0.169 0.000 1.164 479 D CA 1.658 55.581 54.000 -0.128 0.000 0.782 479 D CB -1.765 38.976 40.800 -0.097 0.000 1.094 479 D HN 0.948 nan 8.370 nan 0.000 0.425 480 S N -2.218 113.356 115.700 -0.211 0.000 3.549 480 S HA -0.288 4.183 4.470 0.001 0.000 0.366 480 S C 1.527 176.046 174.600 -0.136 0.000 1.012 480 S CA 0.917 58.958 58.200 -0.265 0.000 1.141 480 S CB -1.098 61.799 63.200 -0.505 0.000 0.910 480 S HN 0.755 nan 8.310 nan 0.000 0.471 481 A N 0.585 123.336 122.820 -0.116 0.000 1.930 481 A HA 0.422 4.743 4.320 0.001 0.000 0.215 481 A C 1.395 178.945 177.584 -0.056 0.000 1.176 481 A CA 1.011 53.010 52.037 -0.064 0.000 0.632 481 A CB -0.402 18.565 19.000 -0.056 0.000 0.819 481 A HN 0.957 nan 8.150 nan 0.000 0.445 482 G N -1.677 107.056 108.800 -0.111 0.000 2.415 482 G HA2 0.394 4.354 3.960 0.001 0.000 0.269 482 G HA3 0.394 4.354 3.960 0.001 0.000 0.269 482 G C -0.518 174.276 174.900 -0.177 0.000 1.209 482 G CA -0.486 44.588 45.100 -0.043 0.000 0.835 482 G HN 0.225 nan 8.290 nan 0.000 0.534 483 F N 4.563 124.406 119.950 -0.179 0.000 2.567 483 F HA 0.493 5.021 4.527 0.001 0.000 0.352 483 F C -0.261 175.549 175.800 0.016 0.000 1.229 483 F CA -0.704 57.178 58.000 -0.197 0.000 1.228 483 F CB -0.799 38.060 39.000 -0.234 0.000 1.568 483 F HN 0.526 nan 8.300 nan 0.000 0.634 484 Y N 1.721 121.784 120.300 -0.395 0.000 2.818 484 Y HA 0.637 5.188 4.550 0.001 0.000 0.341 484 Y C -1.588 174.127 175.900 -0.308 0.000 1.283 484 Y CA -2.150 55.778 58.100 -0.288 0.000 1.075 484 Y CB 0.820 39.266 38.460 -0.022 0.000 1.370 484 Y HN 0.109 nan 8.280 nan 0.000 0.448 485 R N 0.621 121.103 120.500 -0.030 0.000 2.892 485 R HA 0.852 5.193 4.340 0.001 0.000 0.265 485 R C -1.762 174.563 176.300 0.042 0.000 1.025 485 R CA -1.409 54.589 56.100 -0.170 0.000 0.982 485 R CB 2.664 32.723 30.300 -0.402 0.000 1.185 485 R HN 0.477 nan 8.270 nan 0.000 0.484 486 V N 2.509 122.421 119.914 -0.004 0.000 2.376 486 V HA 0.248 4.368 4.120 0.001 0.000 0.287 486 V C -0.208 175.768 176.094 -0.197 0.000 1.015 486 V CA -0.711 61.493 62.300 -0.160 0.000 0.834 486 V CB 1.698 33.288 31.823 -0.388 0.000 1.001 486 V HN 0.547 nan 8.190 nan 0.000 0.428 487 L N 6.180 127.207 121.223 -0.326 0.000 2.282 487 L HA 0.472 4.813 4.340 0.001 0.000 0.287 487 L C -0.899 175.766 176.870 -0.342 0.000 1.075 487 L CA -0.223 54.304 54.840 -0.522 0.000 0.839 487 L CB 0.298 41.957 42.059 -0.667 0.000 1.219 487 L HN 0.588 nan 8.230 nan 0.000 0.434 488 Y N 1.980 122.289 120.300 0.013 0.000 2.299 488 Y HA 0.123 4.673 4.550 0.001 0.000 0.326 488 Y C 0.649 176.581 175.900 0.053 0.000 1.164 488 Y CA -0.888 57.282 58.100 0.117 0.000 1.234 488 Y CB 0.949 39.634 38.460 0.375 0.000 1.219 488 Y HN 0.637 nan 8.280 nan 0.000 0.497 489 D N -0.278 120.267 120.400 0.242 0.000 2.354 489 D HA 0.045 4.685 4.640 0.001 0.000 0.247 489 D C 0.193 176.608 176.300 0.192 0.000 1.138 489 D CA -0.405 53.682 54.000 0.145 0.000 0.958 489 D CB 0.788 41.657 40.800 0.115 0.000 1.144 489 D HN 0.405 nan 8.370 nan 0.000 0.458 490 D N 0.123 120.599 120.400 0.127 0.000 2.133 490 D HA -0.252 4.389 4.640 0.001 0.000 0.192 490 D C 2.008 178.407 176.300 0.165 0.000 1.001 490 D CA 2.228 56.310 54.000 0.138 0.000 0.844 490 D CB -0.632 40.218 40.800 0.084 0.000 0.944 490 D HN 0.549 nan 8.370 nan 0.000 0.447 491 A N 0.216 123.112 122.820 0.126 0.000 1.828 491 A HA -0.181 4.140 4.320 0.001 0.000 0.215 491 A C 2.413 180.065 177.584 0.112 0.000 1.203 491 A CA 2.746 54.844 52.037 0.102 0.000 0.614 491 A CB -1.178 17.870 19.000 0.079 0.000 0.844 491 A HN 0.270 nan 8.150 nan 0.000 0.445 492 T N -0.662 113.975 114.554 0.137 0.000 2.737 492 T HA -0.191 4.159 4.350 0.001 0.000 0.269 492 T C 1.589 176.331 174.700 0.071 0.000 1.040 492 T CA 1.705 63.882 62.100 0.128 0.000 1.142 492 T CB -0.437 68.562 68.868 0.219 0.000 0.861 492 T HN 0.415 nan 8.240 nan 0.000 0.456 493 F N 1.459 121.418 119.950 0.014 0.000 2.234 493 F HA -0.014 4.513 4.527 0.001 0.000 0.299 493 F C 2.617 178.376 175.800 -0.069 0.000 1.087 493 F CA 0.940 58.891 58.000 -0.082 0.000 1.340 493 F CB -0.382 38.654 39.000 0.061 0.000 1.031 493 F HN 0.075 nan 8.300 nan 0.000 0.500 494 S N -0.332 115.388 115.700 0.033 0.000 2.428 494 S HA -0.156 4.314 4.470 0.001 0.000 0.230 494 S C 1.752 176.292 174.600 -0.100 0.000 1.014 494 S CA 1.464 59.645 58.200 -0.032 0.000 0.957 494 S CB -0.472 62.752 63.200 0.040 0.000 0.784 494 S HN 0.482 nan 8.310 nan 0.000 0.499 495 D N 0.653 121.007 120.400 -0.077 0.000 2.149 495 D HA -0.043 4.598 4.640 0.001 0.000 0.201 495 D C 2.018 178.303 176.300 -0.026 0.000 0.972 495 D CA 0.996 54.983 54.000 -0.022 0.000 0.835 495 D CB -0.123 40.684 40.800 0.012 0.000 0.966 495 D HN 0.326 nan 8.370 nan 0.000 0.476 496 V N 1.721 121.489 119.914 -0.242 0.000 2.343 496 V HA -0.217 3.904 4.120 0.001 0.000 0.247 496 V C 2.396 178.329 176.094 -0.269 0.000 1.051 496 V CA 1.131 63.228 62.300 -0.337 0.000 1.036 496 V CB -0.376 31.028 31.823 -0.698 0.000 0.654 496 V HN 0.186 nan 8.190 nan 0.000 0.451 497 M N 0.782 120.151 119.600 -0.384 0.000 2.549 497 M HA 0.006 4.487 4.480 0.001 0.000 0.260 497 M C 2.112 178.340 176.300 -0.120 0.000 1.076 497 M CA 1.383 56.528 55.300 -0.259 0.000 1.090 497 M CB -1.727 30.691 32.600 -0.303 0.000 1.418 497 M HN 0.447 nan 8.290 nan 0.000 0.486 498 G N -1.077 107.665 108.800 -0.096 0.000 2.464 498 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 498 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 498 G C 0.599 175.355 174.900 -0.240 0.000 1.138 498 G CA 0.279 45.283 45.100 -0.160 0.000 0.793 498 G HN 0.530 nan 8.290 nan 0.000 0.539 499 H N -1.495 117.517 119.070 -0.096 0.000 2.550 499 H HA 0.264 4.820 4.556 0.001 0.000 0.304 499 H C 0.986 176.275 175.328 -0.064 0.000 1.086 499 H CA -1.014 54.988 56.048 -0.076 0.000 1.089 499 H CB -0.144 29.562 29.762 -0.094 0.000 1.528 499 H HN 0.296 nan 8.280 nan 0.000 0.539 500 Y N 1.794 122.036 120.300 -0.097 0.000 2.241 500 Y HA -0.243 4.307 4.550 0.001 0.000 0.286 500 Y C 1.842 177.689 175.900 -0.088 0.000 1.166 500 Y CA 1.521 59.542 58.100 -0.131 0.000 1.203 500 Y CB 0.194 38.529 38.460 -0.208 0.000 0.977 500 Y HN 0.157 nan 8.280 nan 0.000 0.529 501 R N -0.444 120.136 120.500 0.133 0.000 2.189 501 R HA -0.089 4.252 4.340 0.001 0.000 0.218 501 R C 0.879 177.188 176.300 0.015 0.000 1.074 501 R CA 1.265 57.410 56.100 0.076 0.000 0.991 501 R CB -0.231 30.089 30.300 0.033 0.000 0.883 501 R HN 0.401 nan 8.270 nan 0.000 0.457 502 D N 0.594 120.999 120.400 0.007 0.000 2.349 502 D HA 0.073 4.714 4.640 0.001 0.000 0.215 502 D C 0.460 176.726 176.300 -0.057 0.000 1.016 502 D CA 0.323 54.319 54.000 -0.006 0.000 0.870 502 D CB 0.241 41.063 40.800 0.036 0.000 0.917 502 D HN 0.085 nan 8.370 nan 0.000 0.524 503 L N 1.767 122.919 121.223 -0.119 0.000 2.313 503 L HA 0.126 4.466 4.340 0.001 0.000 0.282 503 L C 1.040 177.818 176.870 -0.154 0.000 1.092 503 L CA -0.437 54.294 54.840 -0.182 0.000 0.831 503 L CB 0.834 42.691 42.059 -0.336 0.000 1.159 503 L HN -0.084 nan 8.230 nan 0.000 0.442 504 S N 4.369 120.001 115.700 -0.113 0.000 2.593 504 S HA 0.261 4.732 4.470 0.001 0.000 0.269 504 S C -1.372 173.171 174.600 -0.095 0.000 1.334 504 S CA -1.125 57.027 58.200 -0.079 0.000 1.015 504 S CB 0.958 64.123 63.200 -0.058 0.000 0.912 504 S HN 0.508 nan 8.310 nan 0.000 0.541 505 P HA -0.141 nan 4.420 nan 0.000 0.217 505 P C 1.574 178.807 177.300 -0.113 0.000 1.148 505 P CA 1.093 64.155 63.100 -0.063 0.000 0.828 505 P CB -0.066 31.622 31.700 -0.020 0.000 0.783 506 L N -0.188 120.966 121.223 -0.115 0.000 2.141 506 L HA -0.127 4.214 4.340 0.001 0.000 0.209 506 L C 2.315 179.011 176.870 -0.288 0.000 1.094 506 L CA 1.437 56.158 54.840 -0.199 0.000 0.763 506 L CB -0.707 41.271 42.059 -0.135 0.000 0.908 506 L HN -0.024 nan 8.230 nan 0.000 0.437 507 D N -0.249 120.027 120.400 -0.205 0.000 2.103 507 D HA -0.154 4.487 4.640 0.001 0.000 0.199 507 D C 2.228 178.418 176.300 -0.184 0.000 0.978 507 D CA 1.045 54.927 54.000 -0.197 0.000 0.829 507 D CB 0.032 40.741 40.800 -0.152 0.000 0.981 507 D HN 0.239 nan 8.370 nan 0.000 0.464 508 R N 0.555 120.967 120.500 -0.148 0.000 2.096 508 R HA -0.042 4.298 4.340 0.001 0.000 0.235 508 R C 2.446 178.635 176.300 -0.184 0.000 1.127 508 R CA 0.559 56.628 56.100 -0.052 0.000 0.968 508 R CB -0.116 30.205 30.300 0.034 0.000 0.861 508 R HN 0.201 nan 8.270 nan 0.000 0.440 509 I N -0.289 120.138 120.570 -0.238 0.000 2.226 509 I HA -0.144 4.027 4.170 0.001 0.000 0.245 509 I C 2.286 178.169 176.117 -0.389 0.000 1.100 509 I CA 1.774 62.900 61.300 -0.290 0.000 1.374 509 I CB -1.364 36.450 38.000 -0.310 0.000 1.057 509 I HN 0.318 nan 8.210 nan 0.000 0.413 510 G N 1.004 109.478 108.800 -0.544 0.000 2.408 510 G HA2 -0.130 3.831 3.960 0.001 0.000 0.217 510 G HA3 -0.130 3.831 3.960 0.001 0.000 0.217 510 G C 1.838 176.581 174.900 -0.262 0.000 1.150 510 G CA 0.210 45.006 45.100 -0.507 0.000 0.776 510 G HN 0.276 nan 8.290 nan 0.000 0.542 511 L N 0.176 121.286 121.223 -0.189 0.000 2.017 511 L HA -0.086 4.255 4.340 0.001 0.000 0.208 511 L C 2.955 179.711 176.870 -0.189 0.000 1.073 511 L CA 0.529 55.339 54.840 -0.050 0.000 0.745 511 L CB -0.648 41.472 42.059 0.101 0.000 0.894 511 L HN 0.072 nan 8.230 nan 0.000 0.432 512 V N -0.103 119.563 119.914 -0.413 0.000 2.343 512 V HA -0.325 3.796 4.120 0.001 0.000 0.247 512 V C 2.356 178.335 176.094 -0.192 0.000 1.051 512 V CA 2.101 64.143 62.300 -0.431 0.000 1.036 512 V CB -0.470 31.051 31.823 -0.503 0.000 0.654 512 V HN 0.558 nan 8.190 nan 0.000 0.451 513 D N -0.401 119.898 120.400 -0.168 0.000 2.117 513 D HA -0.205 4.436 4.640 0.001 0.000 0.197 513 D C 1.709 177.891 176.300 -0.197 0.000 0.987 513 D CA 1.555 55.495 54.000 -0.101 0.000 0.829 513 D CB 0.057 40.865 40.800 0.014 0.000 0.961 513 D HN 0.424 nan 8.370 nan 0.000 0.460 514 D N 0.369 120.580 120.400 -0.316 0.000 2.097 514 D HA -0.089 4.551 4.640 0.001 0.000 0.197 514 D C 2.383 178.247 176.300 -0.726 0.000 0.984 514 D CA 0.349 53.942 54.000 -0.678 0.000 0.826 514 D CB -0.457 40.010 40.800 -0.555 0.000 0.973 514 D HN 0.277 nan 8.370 nan 0.000 0.460 515 L N -0.173 120.920 121.223 -0.216 0.000 2.013 515 L HA -0.224 4.116 4.340 0.001 0.000 0.212 515 L C 2.382 179.324 176.870 0.119 0.000 1.073 515 L CA 1.078 55.968 54.840 0.083 0.000 0.753 515 L CB -0.472 41.702 42.059 0.191 0.000 0.890 515 L HN 0.020 nan 8.230 nan 0.000 0.432 516 F N 0.649 120.551 119.950 -0.080 0.000 2.134 516 F HA -0.232 4.295 4.527 0.001 0.000 0.299 516 F C 2.429 178.106 175.800 -0.205 0.000 1.097 516 F CA 1.159 59.042 58.000 -0.194 0.000 1.264 516 F CB -0.412 38.482 39.000 -0.177 0.000 1.001 516 F HN 0.014 nan 8.300 nan 0.000 0.479 517 A N -0.082 122.580 122.820 -0.263 0.000 1.908 517 A HA -0.203 4.118 4.320 0.001 0.000 0.218 517 A C 2.272 179.869 177.584 0.021 0.000 1.181 517 A CA 1.814 53.718 52.037 -0.222 0.000 0.627 517 A CB -1.624 17.151 19.000 -0.374 0.000 0.818 517 A HN 0.495 nan 8.150 nan 0.000 0.445 518 F N -0.642 119.338 119.950 0.050 0.000 2.325 518 F HA -0.049 4.479 4.527 0.001 0.000 0.299 518 F C 2.155 177.962 175.800 0.011 0.000 1.090 518 F CA 0.399 58.477 58.000 0.130 0.000 1.392 518 F CB -0.122 38.931 39.000 0.088 0.000 1.053 518 F HN 0.206 nan 8.300 nan 0.000 0.521 519 L N 0.438 121.659 121.223 -0.003 0.000 1.994 519 L HA -0.218 4.122 4.340 0.001 0.000 0.208 519 L C 2.219 178.957 176.870 -0.220 0.000 1.071 519 L CA 1.615 56.334 54.840 -0.202 0.000 0.745 519 L CB -0.363 41.296 42.059 -0.666 0.000 0.892 519 L HN 0.204 nan 8.230 nan 0.000 0.431 520 L N -0.490 120.530 121.223 -0.338 0.000 2.056 520 L HA -0.171 4.170 4.340 0.001 0.000 0.207 520 L C 2.843 179.648 176.870 -0.108 0.000 1.078 520 L CA 1.418 56.100 54.840 -0.262 0.000 0.749 520 L CB -0.717 41.127 42.059 -0.357 0.000 0.901 520 L HN 0.402 nan 8.230 nan 0.000 0.433 521 S N -0.433 115.265 115.700 -0.003 0.000 2.428 521 S HA 0.000 4.471 4.470 0.001 0.000 0.230 521 S C 1.660 176.252 174.600 -0.013 0.000 1.014 521 S CA 0.752 58.959 58.200 0.011 0.000 0.957 521 S CB 0.038 63.336 63.200 0.162 0.000 0.784 521 S HN 0.582 nan 8.310 nan 0.000 0.499 522 G N 0.324 109.144 108.800 0.033 0.000 2.157 522 G HA2 -0.250 3.711 3.960 0.001 0.000 0.239 522 G HA3 -0.250 3.711 3.960 0.001 0.000 0.239 522 G C 0.294 175.164 174.900 -0.051 0.000 0.982 522 G CA 0.398 45.479 45.100 -0.032 0.000 0.650 522 G HN 0.641 nan 8.290 nan 0.000 0.527 523 H N 0.130 119.223 119.070 0.039 0.000 2.545 523 H HA 0.354 4.910 4.556 0.001 0.000 0.282 523 H C 1.443 176.724 175.328 -0.078 0.000 1.020 523 H CA 1.625 57.645 56.048 -0.046 0.000 1.243 523 H CB 0.065 29.748 29.762 -0.131 0.000 1.377 523 H HN 0.842 nan 8.280 nan 0.000 0.581 524 I N -2.039 118.588 120.570 0.095 0.000 2.752 524 I HA 0.327 4.498 4.170 0.001 0.000 0.295 524 I C -1.065 175.101 176.117 0.081 0.000 1.219 524 I CA -1.554 59.787 61.300 0.069 0.000 1.030 524 I CB 2.573 40.634 38.000 0.102 0.000 1.259 524 I HN -0.174 nan 8.210 nan 0.000 0.423 525 D N 4.494 124.935 120.400 0.068 0.000 2.377 525 D HA 0.354 4.995 4.640 0.001 0.000 0.245 525 D C -2.142 174.239 176.300 0.136 0.000 1.196 525 D CA -2.038 52.007 54.000 0.075 0.000 0.962 525 D CB 0.097 40.929 40.800 0.054 0.000 1.127 525 D HN 0.311 nan 8.370 nan 0.000 0.471 526 P HA -0.140 nan 4.420 nan 0.000 0.215 526 P C 1.148 178.631 177.300 0.305 0.000 1.153 526 P CA 1.194 64.459 63.100 0.275 0.000 0.853 526 P CB 0.171 32.021 31.700 0.250 0.000 0.788 527 E N -1.081 119.220 120.200 0.169 0.000 2.150 527 E HA -0.091 4.260 4.350 0.001 0.000 0.193 527 E C 1.912 178.577 176.600 0.108 0.000 0.985 527 E CA 1.282 57.751 56.400 0.114 0.000 0.814 527 E CB -1.060 28.674 29.700 0.057 0.000 0.752 527 E HN 0.252 nan 8.360 nan 0.000 0.466 528 T N 0.537 115.160 114.554 0.115 0.000 2.821 528 T HA -0.150 4.201 4.350 0.001 0.000 0.267 528 T C 1.680 176.440 174.700 0.099 0.000 1.046 528 T CA 1.138 63.284 62.100 0.077 0.000 1.139 528 T CB -0.384 68.519 68.868 0.058 0.000 0.871 528 T HN 0.266 nan 8.240 nan 0.000 0.454 529 Y N 3.425 123.777 120.300 0.087 0.000 2.114 529 Y HA -0.222 4.328 4.550 0.001 0.000 0.284 529 Y C 2.510 178.504 175.900 0.156 0.000 1.143 529 Y CA 1.762 59.932 58.100 0.117 0.000 1.135 529 Y CB -0.349 38.203 38.460 0.153 0.000 0.980 529 Y HN 0.159 nan 8.280 nan 0.000 0.499 530 R N 0.514 121.009 120.500 -0.009 0.000 2.120 530 R HA -0.176 4.165 4.340 0.001 0.000 0.234 530 R C 2.297 178.491 176.300 -0.177 0.000 1.123 530 R CA 1.811 57.844 56.100 -0.110 0.000 0.975 530 R CB -0.864 29.532 30.300 0.161 0.000 0.866 530 R HN 0.546 nan 8.270 nan 0.000 0.446 531 Q N 0.890 120.637 119.800 -0.088 0.000 2.079 531 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 531 Q C 1.916 177.872 176.000 -0.073 0.000 0.974 531 Q CA 1.398 57.155 55.803 -0.077 0.000 0.840 531 Q CB 0.145 28.872 28.738 -0.018 0.000 0.898 531 Q HN 0.470 nan 8.270 nan 0.000 0.430 532 R N -0.136 120.334 120.500 -0.050 0.000 2.093 532 R HA -0.043 4.298 4.340 0.001 0.000 0.224 532 R C 2.250 178.658 176.300 0.181 0.000 1.101 532 R CA 0.806 56.968 56.100 0.104 0.000 0.979 532 R CB -0.464 29.793 30.300 -0.073 0.000 0.877 532 R HN 0.268 nan 8.270 nan 0.000 0.441 533 I N 1.723 122.244 120.570 -0.082 0.000 2.493 533 I HA -0.162 4.008 4.170 0.001 0.000 0.254 533 I C 2.178 178.235 176.117 -0.101 0.000 1.160 533 I CA 1.171 62.463 61.300 -0.013 0.000 1.445 533 I CB -0.108 37.673 38.000 -0.364 0.000 1.086 533 I HN -0.026 nan 8.210 nan 0.000 0.433 534 R N 0.234 120.415 120.500 -0.532 0.000 2.159 534 R HA -0.176 4.165 4.340 0.001 0.000 0.237 534 R C 1.663 177.673 176.300 -0.484 0.000 1.131 534 R CA 1.622 57.079 56.100 -1.072 0.000 0.982 534 R CB -0.514 29.359 30.300 -0.712 0.000 0.868 534 R HN 0.468 nan 8.270 nan 0.000 0.453 535 N N -0.555 118.026 118.700 -0.197 0.000 2.453 535 N HA -0.110 4.630 4.740 0.001 0.000 0.183 535 N C 0.402 175.702 175.510 -0.350 0.000 1.041 535 N CA 0.954 53.828 53.050 -0.293 0.000 0.900 535 N CB 0.062 38.333 38.487 -0.359 0.000 0.961 535 N HN 0.164 nan 8.380 nan 0.000 0.443 536 F N -1.492 118.509 119.950 0.085 0.000 2.695 536 F HA 0.326 4.854 4.527 0.001 0.000 0.303 536 F C 0.999 177.029 175.800 0.384 0.000 1.091 536 F CA -0.442 57.704 58.000 0.244 0.000 1.300 536 F CB -0.358 38.798 39.000 0.260 0.000 1.071 536 F HN 0.004 nan 8.300 nan 0.000 0.578 537 F N 0.665 120.768 119.950 0.255 0.000 2.373 537 F HA -0.200 4.328 4.527 0.002 0.000 0.300 537 F C 1.384 177.307 175.800 0.206 0.000 1.080 537 F CA 0.556 58.761 58.000 0.342 0.000 1.417 537 F CB 0.058 39.211 39.000 0.255 0.000 1.070 537 F HN 0.012 nan 8.300 nan 0.000 0.546 538 D N -0.689 119.857 120.400 0.243 0.000 2.398 538 D HA -0.030 4.611 4.640 0.001 0.000 0.210 538 D C 0.347 176.649 176.300 0.004 0.000 1.094 538 D CA 0.148 54.179 54.000 0.052 0.000 0.839 538 D CB -0.147 40.615 40.800 -0.063 0.000 0.963 538 D HN 0.207 nan 8.370 nan 0.000 0.506 539 D N 1.425 121.913 120.400 0.147 0.000 2.449 539 D HA -0.055 4.586 4.640 0.001 0.000 0.236 539 D C 0.707 177.058 176.300 0.085 0.000 1.149 539 D CA 0.572 54.676 54.000 0.174 0.000 0.878 539 D CB 1.113 42.124 40.800 0.352 0.000 1.198 539 D HN 0.128 nan 8.370 nan 0.000 0.446 540 E N 1.213 121.433 120.200 0.033 0.000 2.498 540 E HA 0.020 4.371 4.350 0.001 0.000 0.203 540 E C -0.261 176.490 176.600 0.252 0.000 1.013 540 E CA -0.289 56.149 56.400 0.064 0.000 0.927 540 E CB 0.467 30.025 29.700 -0.236 0.000 1.012 540 E HN 0.393 nan 8.360 nan 0.000 0.482 541 D N 1.481 121.986 120.400 0.175 0.000 2.348 541 D HA -0.057 4.583 4.640 0.001 0.000 0.253 541 D C 1.592 177.970 176.300 0.130 0.000 1.161 541 D CA -0.108 53.980 54.000 0.147 0.000 0.876 541 D CB 0.666 41.497 40.800 0.051 0.000 1.160 541 D HN 0.116 nan 8.370 nan 0.000 0.459 542 H N 3.502 122.592 119.070 0.033 0.000 2.387 542 H HA -0.125 4.432 4.556 0.001 0.000 0.299 542 H C 0.707 176.038 175.328 0.007 0.000 1.099 542 H CA 1.128 57.178 56.048 0.004 0.000 1.315 542 H CB -0.070 29.643 29.762 -0.082 0.000 1.380 542 H HN 0.400 nan 8.280 nan 0.000 0.513 543 N N 0.832 119.127 118.700 -0.675 0.000 2.270 543 N HA -0.060 4.681 4.740 0.001 0.000 0.181 543 N C 2.213 177.634 175.510 -0.147 0.000 1.016 543 N CA 1.054 53.866 53.050 -0.397 0.000 0.870 543 N CB -0.047 38.186 38.487 -0.423 0.000 0.979 543 N HN 0.220 nan 8.380 nan 0.000 0.431 544 V N 2.271 122.131 119.914 -0.089 0.000 2.307 544 V HA -0.173 3.948 4.120 0.001 0.000 0.245 544 V C 2.353 178.491 176.094 0.072 0.000 1.045 544 V CA 1.005 63.305 62.300 -0.000 0.000 1.024 544 V CB -0.335 31.537 31.823 0.082 0.000 0.651 544 V HN 0.168 nan 8.190 nan 0.000 0.449 545 I N 0.459 121.112 120.570 0.139 0.000 2.118 545 I HA -0.259 3.912 4.170 0.001 0.000 0.241 545 I C 2.560 178.803 176.117 0.210 0.000 1.070 545 I CA 2.222 63.680 61.300 0.264 0.000 1.327 545 I CB -1.970 36.154 38.000 0.206 0.000 1.034 545 I HN 0.325 nan 8.210 nan 0.000 0.405 546 T N 1.435 116.045 114.554 0.093 0.000 2.759 546 T HA -0.121 4.230 4.350 0.001 0.000 0.269 546 T C 2.066 176.757 174.700 -0.014 0.000 1.042 546 T CA 1.560 63.690 62.100 0.049 0.000 1.140 546 T CB -0.350 68.531 68.868 0.022 0.000 0.864 546 T HN 0.488 nan 8.240 nan 0.000 0.455 547 A N 1.260 124.049 122.820 -0.051 0.000 1.877 547 A HA -0.051 4.270 4.320 0.001 0.000 0.216 547 A C 2.275 179.744 177.584 -0.192 0.000 1.186 547 A CA 1.334 53.299 52.037 -0.119 0.000 0.620 547 A CB -0.796 18.136 19.000 -0.114 0.000 0.822 547 A HN 0.535 nan 8.150 nan 0.000 0.443 548 I N -0.466 119.985 120.570 -0.198 0.000 2.226 548 I HA -0.227 3.944 4.170 0.001 0.000 0.245 548 I C 2.354 178.237 176.117 -0.389 0.000 1.100 548 I CA 1.119 62.181 61.300 -0.397 0.000 1.374 548 I CB -0.454 37.095 38.000 -0.751 0.000 1.057 548 I HN 0.153 nan 8.210 nan 0.000 0.413 549 V N 1.264 121.082 119.914 -0.159 0.000 2.252 549 V HA -0.290 3.831 4.120 0.001 0.000 0.249 549 V C 2.636 178.681 176.094 -0.081 0.000 1.056 549 V CA 2.394 64.691 62.300 -0.006 0.000 1.022 549 V CB -1.536 30.352 31.823 0.107 0.000 0.641 549 V HN 0.603 nan 8.190 nan 0.000 0.445 550 G N -1.450 107.277 108.800 -0.121 0.000 2.440 550 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 550 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 550 G C 1.498 176.236 174.900 -0.271 0.000 1.154 550 G CA 0.903 45.910 45.100 -0.155 0.000 0.767 550 G HN 0.567 nan 8.290 nan 0.000 0.552 551 Q N -0.745 118.794 119.800 -0.435 0.000 2.046 551 Q HA -0.014 4.327 4.340 0.001 0.000 0.200 551 Q C 2.757 178.589 176.000 -0.280 0.000 0.975 551 Q CA 1.081 56.475 55.803 -0.682 0.000 0.836 551 Q CB -0.201 28.138 28.738 -0.665 0.000 0.896 551 Q HN 0.335 nan 8.270 nan 0.000 0.428 552 M N 0.482 119.979 119.600 -0.171 0.000 2.175 552 M HA -0.138 4.343 4.480 0.001 0.000 0.264 552 M C 1.731 178.033 176.300 0.002 0.000 1.063 552 M CA 1.510 56.781 55.300 -0.048 0.000 1.119 552 M CB -0.775 31.805 32.600 -0.033 0.000 1.377 552 M HN 0.231 nan 8.290 nan 0.000 0.415 553 E N -0.941 119.258 120.200 -0.002 0.000 2.110 553 E HA -0.230 4.121 4.350 0.001 0.000 0.193 553 E C 1.918 178.554 176.600 0.061 0.000 0.988 553 E CA 1.252 57.674 56.400 0.038 0.000 0.804 553 E CB -0.269 29.457 29.700 0.043 0.000 0.745 553 E HN 0.460 nan 8.360 nan 0.000 0.458 554 Y N 0.881 121.141 120.300 -0.068 0.000 2.220 554 Y HA -0.164 4.387 4.550 0.001 0.000 0.291 554 Y C 1.960 177.861 175.900 0.002 0.000 1.129 554 Y CA 0.835 58.925 58.100 -0.017 0.000 1.161 554 Y CB -0.002 38.470 38.460 0.019 0.000 0.997 554 Y HN -0.025 nan 8.280 nan 0.000 0.522 555 L N 0.508 121.776 121.223 0.075 0.000 2.079 555 L HA -0.217 4.124 4.340 0.001 0.000 0.210 555 L C 2.369 179.210 176.870 -0.049 0.000 1.081 555 L CA 1.540 56.365 54.840 -0.024 0.000 0.752 555 L CB -1.205 40.779 42.059 -0.126 0.000 0.896 555 L HN 0.185 nan 8.230 nan 0.000 0.433 556 R N -0.970 119.515 120.500 -0.026 0.000 2.119 556 R HA -0.194 4.147 4.340 0.001 0.000 0.246 556 R C 2.072 178.288 176.300 -0.140 0.000 1.146 556 R CA 1.668 57.737 56.100 -0.051 0.000 0.962 556 R CB -0.401 29.894 30.300 -0.008 0.000 0.863 556 R HN 0.368 nan 8.270 nan 0.000 0.442 557 M N -0.162 119.338 119.600 -0.166 0.000 2.557 557 M HA -0.072 4.409 4.480 0.001 0.000 0.259 557 M C 1.054 177.227 176.300 -0.212 0.000 1.086 557 M CA 0.836 56.020 55.300 -0.194 0.000 1.096 557 M CB 0.211 32.671 32.600 -0.233 0.000 1.424 557 M HN 0.064 nan 8.290 nan 0.000 0.488 558 L N -1.472 119.627 121.223 -0.206 0.000 2.537 558 L HA 0.237 4.578 4.340 0.001 0.000 0.224 558 L C 0.994 177.806 176.870 -0.096 0.000 1.065 558 L CA 0.779 55.525 54.840 -0.155 0.000 0.860 558 L CB 0.616 42.586 42.059 -0.148 0.000 1.086 558 L HN 0.186 nan 8.230 nan 0.000 0.482 559 T N -3.698 110.797 114.554 -0.098 0.000 2.700 559 T HA 0.234 4.584 4.350 0.001 0.000 0.307 559 T C -0.167 174.461 174.700 -0.121 0.000 1.580 559 T CA -0.484 61.584 62.100 -0.054 0.000 0.992 559 T CB 0.526 69.454 68.868 0.100 0.000 1.577 559 T HN 0.071 nan 8.240 nan 0.000 0.496 560 H N 0.647 119.780 119.070 0.106 0.000 2.705 560 H HA 0.377 4.934 4.556 0.001 0.000 0.269 560 H C 2.101 177.493 175.328 0.107 0.000 0.998 560 H CA 0.828 56.937 56.048 0.102 0.000 1.193 560 H CB 0.334 30.133 29.762 0.061 0.000 1.485 560 H HN 0.670 nan 8.280 nan 0.000 0.521 561 A N 0.506 123.441 122.820 0.191 0.000 2.139 561 A HA -0.150 4.170 4.320 0.001 0.000 0.221 561 A C 1.172 178.650 177.584 -0.177 0.000 1.159 561 A CA 1.216 53.257 52.037 0.006 0.000 0.662 561 A CB -0.771 18.198 19.000 -0.051 0.000 0.796 561 A HN 0.199 nan 8.150 nan 0.000 0.463 562 F N -1.070 118.960 119.950 0.134 0.000 2.682 562 F HA 0.157 4.685 4.527 0.001 0.000 0.308 562 F C 1.219 177.106 175.800 0.145 0.000 1.093 562 F CA -0.392 57.700 58.000 0.155 0.000 1.244 562 F CB 0.296 39.404 39.000 0.180 0.000 1.052 562 F HN 0.059 nan 8.300 nan 0.000 0.573 563 D N 0.876 121.431 120.400 0.258 0.000 2.106 563 D HA -0.207 4.434 4.640 0.001 0.000 0.191 563 D C 1.737 178.146 176.300 0.183 0.000 0.997 563 D CA 1.773 55.904 54.000 0.219 0.000 0.834 563 D CB -0.197 40.738 40.800 0.224 0.000 0.956 563 D HN 0.197 nan 8.370 nan 0.000 0.448 564 D N 0.433 120.921 120.400 0.148 0.000 2.178 564 D HA -0.113 4.527 4.640 0.001 0.000 0.201 564 D C 1.459 177.854 176.300 0.157 0.000 0.980 564 D CA 0.731 54.808 54.000 0.128 0.000 0.842 564 D CB -0.105 40.748 40.800 0.088 0.000 0.948 564 D HN 0.296 nan 8.370 nan 0.000 0.472 565 D N 0.663 121.186 120.400 0.205 0.000 2.123 565 D HA -0.053 4.588 4.640 0.001 0.000 0.200 565 D C 2.091 178.530 176.300 0.233 0.000 0.976 565 D CA 0.792 54.980 54.000 0.313 0.000 0.831 565 D CB 0.055 41.116 40.800 0.434 0.000 0.974 565 D HN 0.076 nan 8.370 nan 0.000 0.469 566 A N 1.556 124.494 122.820 0.198 0.000 1.908 566 A HA -0.220 4.100 4.320 0.001 0.000 0.218 566 A C 2.193 179.812 177.584 0.059 0.000 1.181 566 A CA 1.305 53.415 52.037 0.121 0.000 0.627 566 A CB -0.469 18.622 19.000 0.151 0.000 0.818 566 A HN 0.139 nan 8.150 nan 0.000 0.445 567 R N -0.526 120.019 120.500 0.075 0.000 2.073 567 R HA -0.073 4.268 4.340 0.001 0.000 0.234 567 R C 2.559 178.795 176.300 -0.106 0.000 1.134 567 R CA 1.267 57.371 56.100 0.006 0.000 0.952 567 R CB -0.583 29.795 30.300 0.130 0.000 0.850 567 R HN 0.505 nan 8.270 nan 0.000 0.433 568 A N 1.293 124.122 122.820 0.015 0.000 1.873 568 A HA -0.248 4.073 4.320 0.001 0.000 0.218 568 A C 2.023 179.560 177.584 -0.077 0.000 1.193 568 A CA 1.623 53.682 52.037 0.036 0.000 0.629 568 A CB -0.818 18.306 19.000 0.208 0.000 0.826 568 A HN 0.407 nan 8.150 nan 0.000 0.447 569 F N 0.744 120.456 119.950 -0.396 0.000 2.069 569 F HA -0.270 4.258 4.527 0.001 0.000 0.298 569 F C 2.501 178.035 175.800 -0.442 0.000 1.113 569 F CA 1.684 59.275 58.000 -0.681 0.000 1.214 569 F CB -0.962 37.355 39.000 -1.138 0.000 0.978 569 F HN 0.321 nan 8.300 nan 0.000 0.474 570 C N 0.986 119.916 119.300 -0.618 0.000 2.413 570 C HA -0.192 4.268 4.460 0.001 0.000 0.276 570 C C 2.867 177.328 174.990 -0.882 0.000 1.236 570 C CA 1.484 59.982 59.018 -0.867 0.000 1.735 570 C CB -1.460 25.669 27.740 -1.018 0.000 2.031 570 C HN 0.562 nan 8.230 nan 0.000 0.474 571 R N 0.888 120.928 120.500 -0.767 0.000 2.080 571 R HA -0.180 4.161 4.340 0.001 0.000 0.236 571 R C 2.459 178.588 176.300 -0.285 0.000 1.137 571 R CA 2.099 57.933 56.100 -0.443 0.000 0.943 571 R CB -0.576 29.600 30.300 -0.206 0.000 0.846 571 R HN 0.526 nan 8.270 nan 0.000 0.431 572 S N -0.198 115.343 115.700 -0.264 0.000 2.359 572 S HA -0.105 4.366 4.470 0.001 0.000 0.224 572 S C 1.941 176.425 174.600 -0.193 0.000 1.035 572 S CA 1.030 59.127 58.200 -0.171 0.000 1.018 572 S CB -0.106 63.033 63.200 -0.101 0.000 0.876 572 S HN 0.324 nan 8.310 nan 0.000 0.448 573 R N 0.276 120.544 120.500 -0.387 0.000 2.153 573 R HA 0.232 4.572 4.340 0.001 0.000 0.218 573 R C 2.204 178.383 176.300 -0.201 0.000 1.072 573 R CA 0.526 56.447 56.100 -0.298 0.000 0.990 573 R CB -0.769 29.174 30.300 -0.594 0.000 0.889 573 R HN 0.460 nan 8.270 nan 0.000 0.452 574 M N 0.847 120.286 119.600 -0.268 0.000 2.229 574 M HA -0.120 4.360 4.480 0.001 0.000 0.264 574 M C 2.089 178.342 176.300 -0.078 0.000 1.063 574 M CA 1.342 56.539 55.300 -0.171 0.000 1.114 574 M CB -0.572 31.913 32.600 -0.191 0.000 1.387 574 M HN 0.104 nan 8.290 nan 0.000 0.420 575 Q N -0.091 119.678 119.800 -0.053 0.000 2.079 575 Q HA -0.177 4.164 4.340 0.001 0.000 0.200 575 Q C 2.000 178.038 176.000 0.063 0.000 0.974 575 Q CA 1.509 57.317 55.803 0.008 0.000 0.840 575 Q CB -0.522 28.224 28.738 0.013 0.000 0.898 575 Q HN 0.439 nan 8.270 nan 0.000 0.430 576 F N 1.001 120.904 119.950 -0.078 0.000 2.128 576 F HA -0.017 4.511 4.527 0.002 0.000 0.295 576 F C 1.978 177.748 175.800 -0.049 0.000 1.100 576 F CA 0.966 58.932 58.000 -0.057 0.000 1.260 576 F CB -0.416 38.549 39.000 -0.059 0.000 1.009 576 F HN 0.044 nan 8.300 nan 0.000 0.476 577 L N -0.178 120.842 121.223 -0.339 0.000 2.141 577 L HA -0.086 4.255 4.340 0.001 0.000 0.209 577 L C 0.871 177.584 176.870 -0.262 0.000 1.094 577 L CA 0.695 55.285 54.840 -0.418 0.000 0.763 577 L CB -1.168 40.755 42.059 -0.226 0.000 0.908 577 L HN -0.039 nan 8.230 nan 0.000 0.437 578 T N 0.534 114.998 114.554 -0.149 0.000 2.902 578 T HA 0.271 4.622 4.350 0.001 0.000 0.301 578 T C 0.994 175.638 174.700 -0.094 0.000 1.012 578 T CA 0.872 62.921 62.100 -0.085 0.000 1.151 578 T CB 0.780 69.632 68.868 -0.027 0.000 0.946 578 T HN 0.587 nan 8.240 nan 0.000 0.542 579 G N 2.488 111.242 108.800 -0.077 0.000 2.137 579 G HA2 -0.192 3.769 3.960 0.001 0.000 0.237 579 G HA3 -0.192 3.769 3.960 0.001 0.000 0.237 579 G C 0.018 174.862 174.900 -0.093 0.000 1.002 579 G CA -0.305 44.755 45.100 -0.067 0.000 0.702 579 G HN 0.548 nan 8.290 nan 0.000 0.515 580 K N -0.578 119.743 120.400 -0.131 0.000 2.156 580 K HA 0.547 4.868 4.320 0.001 0.000 0.250 580 K C 1.094 177.630 176.600 -0.107 0.000 0.955 580 K CA -0.565 55.632 56.287 -0.149 0.000 0.855 580 K CB 1.502 33.851 32.500 -0.252 0.000 1.101 580 K HN 0.251 nan 8.250 nan 0.000 0.434 581 Q N -0.311 119.436 119.800 -0.088 0.000 2.394 581 Q HA 0.036 4.376 4.340 0.001 0.000 0.218 581 Q C 0.149 176.108 176.000 -0.068 0.000 0.907 581 Q CA 0.251 56.015 55.803 -0.065 0.000 0.919 581 Q CB -0.024 28.686 28.738 -0.045 0.000 1.051 581 Q HN 0.530 nan 8.270 nan 0.000 0.538 582 D N 1.500 121.850 120.400 -0.083 0.000 2.581 582 D HA -0.121 4.520 4.640 0.001 0.000 0.238 582 D C 0.305 176.539 176.300 -0.110 0.000 1.145 582 D CA 0.251 54.195 54.000 -0.094 0.000 0.866 582 D CB 0.824 41.550 40.800 -0.123 0.000 1.151 582 D HN 0.066 nan 8.370 nan 0.000 0.500 583 E N 3.215 123.372 120.200 -0.071 0.000 2.097 583 E HA -0.194 4.156 4.350 0.001 0.000 0.196 583 E C 1.418 177.944 176.600 -0.124 0.000 1.000 583 E CA 1.130 57.502 56.400 -0.047 0.000 0.804 583 E CB 0.033 29.774 29.700 0.069 0.000 0.740 583 E HN 0.488 nan 8.360 nan 0.000 0.454 584 N N -0.288 118.229 118.700 -0.304 0.000 2.166 584 N HA -0.108 4.633 4.740 0.001 0.000 0.186 584 N C 1.764 177.114 175.510 -0.268 0.000 1.019 584 N CA 0.808 53.566 53.050 -0.486 0.000 0.856 584 N CB -0.203 37.578 38.487 -1.177 0.000 0.993 584 N HN 0.211 nan 8.380 nan 0.000 0.426 585 L N 0.922 122.011 121.223 -0.224 0.000 2.093 585 L HA -0.096 4.244 4.340 0.001 0.000 0.208 585 L C 2.155 178.957 176.870 -0.114 0.000 1.085 585 L CA 1.009 55.761 54.840 -0.147 0.000 0.755 585 L CB -0.293 41.642 42.059 -0.207 0.000 0.904 585 L HN 0.124 nan 8.230 nan 0.000 0.435 586 K N 0.117 120.453 120.400 -0.107 0.000 2.063 586 K HA -0.170 4.151 4.320 0.001 0.000 0.208 586 K C 2.075 178.652 176.600 -0.038 0.000 1.048 586 K CA 1.172 57.416 56.287 -0.071 0.000 0.928 586 K CB -0.119 32.346 32.500 -0.059 0.000 0.713 586 K HN 0.163 nan 8.250 nan 0.000 0.442 587 I N 1.261 121.813 120.570 -0.029 0.000 2.226 587 I HA -0.233 3.938 4.170 0.001 0.000 0.245 587 I C 2.536 178.665 176.117 0.020 0.000 1.100 587 I CA 1.325 62.629 61.300 0.007 0.000 1.374 587 I CB -1.539 36.475 38.000 0.024 0.000 1.057 587 I HN 0.107 nan 8.210 nan 0.000 0.413 588 A N 0.902 123.733 122.820 0.018 0.000 1.908 588 A HA -0.225 4.095 4.320 0.001 0.000 0.218 588 A C 2.350 179.941 177.584 0.012 0.000 1.181 588 A CA 1.609 53.667 52.037 0.035 0.000 0.627 588 A CB -0.993 18.040 19.000 0.055 0.000 0.818 588 A HN 0.394 nan 8.150 nan 0.000 0.445 589 L N 0.246 121.457 121.223 -0.019 0.000 2.043 589 L HA -0.108 4.233 4.340 0.001 0.000 0.212 589 L C 2.364 179.247 176.870 0.021 0.000 1.075 589 L CA 2.474 57.300 54.840 -0.023 0.000 0.752 589 L CB -1.039 40.995 42.059 -0.042 0.000 0.891 589 L HN 0.305 nan 8.230 nan 0.000 0.432 590 G N -0.997 107.821 108.800 0.030 0.000 2.418 590 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 590 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 590 G C 1.667 176.611 174.900 0.075 0.000 1.158 590 G CA 0.505 45.638 45.100 0.055 0.000 0.771 590 G HN 0.290 nan 8.290 nan 0.000 0.545 591 R N 0.057 120.596 120.500 0.065 0.000 2.090 591 R HA 0.042 4.383 4.340 0.001 0.000 0.228 591 R C 2.698 179.050 176.300 0.087 0.000 1.110 591 R CA 0.767 56.913 56.100 0.077 0.000 0.973 591 R CB -0.961 29.382 30.300 0.071 0.000 0.869 591 R HN 0.372 nan 8.270 nan 0.000 0.440 592 V N 0.556 120.505 119.914 0.059 0.000 2.307 592 V HA -0.198 3.922 4.120 0.001 0.000 0.245 592 V C 2.529 178.660 176.094 0.062 0.000 1.045 592 V CA 2.042 64.353 62.300 0.019 0.000 1.024 592 V CB -0.693 31.064 31.823 -0.111 0.000 0.651 592 V HN 0.337 nan 8.190 nan 0.000 0.449 593 S N -0.355 115.409 115.700 0.108 0.000 2.374 593 S HA -0.267 4.203 4.470 0.001 0.000 0.227 593 S C 2.253 177.044 174.600 0.320 0.000 1.037 593 S CA 1.563 59.920 58.200 0.262 0.000 1.024 593 S CB -0.356 63.010 63.200 0.277 0.000 0.861 593 S HN 0.428 nan 8.310 nan 0.000 0.456 594 R N 0.453 121.078 120.500 0.208 0.000 2.096 594 R HA 0.031 4.372 4.340 0.001 0.000 0.235 594 R C 2.373 178.786 176.300 0.188 0.000 1.127 594 R CA 1.186 57.396 56.100 0.184 0.000 0.968 594 R CB -0.815 29.566 30.300 0.134 0.000 0.861 594 R HN 0.515 nan 8.270 nan 0.000 0.440 595 L N -0.469 120.860 121.223 0.177 0.000 2.072 595 L HA -0.182 4.159 4.340 0.001 0.000 0.205 595 L C 2.229 179.244 176.870 0.240 0.000 1.079 595 L CA 1.262 56.204 54.840 0.170 0.000 0.752 595 L CB -0.467 41.677 42.059 0.142 0.000 0.906 595 L HN 0.253 nan 8.230 nan 0.000 0.436 596 Y N -0.317 120.025 120.300 0.070 0.000 2.114 596 Y HA -0.347 4.205 4.550 0.002 0.000 0.282 596 Y C 2.520 178.539 175.900 0.199 0.000 1.165 596 Y CA 1.474 59.596 58.100 0.036 0.000 1.148 596 Y CB 0.063 38.371 38.460 -0.253 0.000 0.972 596 Y HN 0.016 nan 8.280 nan 0.000 0.504 597 V N 0.355 120.516 119.914 0.411 0.000 2.453 597 V HA -0.410 3.711 4.120 0.001 0.000 0.252 597 V C 2.155 178.352 176.094 0.171 0.000 1.068 597 V CA 1.820 64.273 62.300 0.254 0.000 1.070 597 V CB -0.493 31.439 31.823 0.181 0.000 0.664 597 V HN 0.497 nan 8.190 nan 0.000 0.461 598 M N -0.154 119.554 119.600 0.179 0.000 2.349 598 M HA 0.021 4.501 4.480 0.001 0.000 0.266 598 M C 2.015 178.407 176.300 0.153 0.000 1.076 598 M CA 1.327 56.711 55.300 0.140 0.000 1.126 598 M CB -0.742 31.933 32.600 0.125 0.000 1.392 598 M HN 0.520 nan 8.290 nan 0.000 0.440 599 V N -3.425 116.608 119.914 0.198 0.000 3.578 599 V HA 0.248 4.369 4.120 0.001 0.000 0.290 599 V C -0.456 175.758 176.094 0.200 0.000 1.376 599 V CA -0.039 62.382 62.300 0.202 0.000 1.083 599 V CB -0.158 31.795 31.823 0.217 0.000 0.911 599 V HN 0.194 nan 8.190 nan 0.000 0.433 600 D N -0.171 120.338 120.400 0.182 0.000 2.575 600 D HA 0.311 4.952 4.640 0.001 0.000 0.250 600 D C 0.877 177.208 176.300 0.052 0.000 1.279 600 D CA -0.304 53.764 54.000 0.114 0.000 0.925 600 D CB 1.858 42.701 40.800 0.072 0.000 1.261 600 D HN 0.148 nan 8.370 nan 0.000 0.567 601 E N 1.256 121.482 120.200 0.043 0.000 2.153 601 E HA -0.161 4.190 4.350 0.001 0.000 0.194 601 E C 1.334 177.932 176.600 -0.004 0.000 0.988 601 E CA 0.582 56.993 56.400 0.018 0.000 0.811 601 E CB 0.226 29.936 29.700 0.017 0.000 0.746 601 E HN 0.393 nan 8.360 nan 0.000 0.466 602 S N 0.202 115.901 115.700 -0.002 0.000 2.344 602 S HA -0.220 4.251 4.470 0.001 0.000 0.217 602 S C 1.949 176.524 174.600 -0.042 0.000 1.033 602 S CA 1.186 59.379 58.200 -0.012 0.000 1.017 602 S CB -0.404 62.800 63.200 0.006 0.000 0.941 602 S HN 0.384 nan 8.310 nan 0.000 0.430 603 Y N 2.201 122.351 120.300 -0.251 0.000 2.207 603 Y HA -0.081 4.470 4.550 0.002 0.000 0.287 603 Y C 2.383 178.170 175.900 -0.188 0.000 1.156 603 Y CA 1.160 59.055 58.100 -0.342 0.000 1.182 603 Y CB -0.976 36.977 38.460 -0.846 0.000 0.979 603 Y HN 0.333 nan 8.280 nan 0.000 0.521 604 A N 0.178 122.923 122.820 -0.124 0.000 1.858 604 A HA -0.223 4.097 4.320 0.001 0.000 0.216 604 A C 2.128 179.639 177.584 -0.121 0.000 1.190 604 A CA 1.942 53.912 52.037 -0.111 0.000 0.617 604 A CB -0.808 18.180 19.000 -0.020 0.000 0.827 604 A HN 0.595 nan 8.150 nan 0.000 0.443 605 E N -0.707 119.443 120.200 -0.085 0.000 2.118 605 E HA -0.250 4.101 4.350 0.001 0.000 0.195 605 E C 2.076 178.630 176.600 -0.077 0.000 0.992 605 E CA 1.318 57.682 56.400 -0.059 0.000 0.804 605 E CB -0.163 29.514 29.700 -0.038 0.000 0.741 605 E HN 0.836 nan 8.360 nan 0.000 0.458 606 E N 0.323 120.440 120.200 -0.138 0.000 2.077 606 E HA -0.204 4.147 4.350 0.001 0.000 0.193 606 E C 2.029 178.517 176.600 -0.186 0.000 0.989 606 E CA 0.966 57.272 56.400 -0.157 0.000 0.800 606 E CB 0.126 29.705 29.700 -0.202 0.000 0.746 606 E HN 0.124 nan 8.360 nan 0.000 0.452 607 M N 0.523 119.943 119.600 -0.300 0.000 2.175 607 M HA -0.091 4.390 4.480 0.001 0.000 0.264 607 M C 2.560 178.843 176.300 -0.029 0.000 1.063 607 M CA 1.087 56.254 55.300 -0.221 0.000 1.119 607 M CB -1.056 31.361 32.600 -0.305 0.000 1.377 607 M HN 0.118 nan 8.290 nan 0.000 0.415 608 S N 0.571 116.272 115.700 0.002 0.000 2.370 608 S HA -0.146 4.324 4.470 0.001 0.000 0.226 608 S C 1.862 176.568 174.600 0.177 0.000 1.033 608 S CA 1.301 59.581 58.200 0.132 0.000 1.011 608 S CB -0.051 63.203 63.200 0.089 0.000 0.852 608 S HN 0.446 nan 8.310 nan 0.000 0.457 609 K N 0.499 120.950 120.400 0.085 0.000 2.280 609 K HA 0.022 4.343 4.320 0.001 0.000 0.202 609 K C 1.694 178.339 176.600 0.076 0.000 1.047 609 K CA 1.001 57.337 56.287 0.081 0.000 0.942 609 K CB -0.269 32.250 32.500 0.032 0.000 0.739 609 K HN 0.444 nan 8.250 nan 0.000 0.457 610 L N -0.144 121.119 121.223 0.067 0.000 2.552 610 L HA -0.016 4.325 4.340 0.001 0.000 0.227 610 L C 1.813 178.728 176.870 0.076 0.000 1.146 610 L CA 0.083 54.953 54.840 0.048 0.000 0.858 610 L CB -0.302 41.772 42.059 0.025 0.000 0.969 610 L HN 0.086 nan 8.230 nan 0.000 0.451 611 F N 1.485 121.400 119.950 -0.059 0.000 2.449 611 F HA -0.249 4.278 4.527 0.000 0.000 0.299 611 F C 2.428 178.131 175.800 -0.161 0.000 1.092 611 F CA 1.340 59.239 58.000 -0.169 0.000 1.446 611 F CB 0.006 38.671 39.000 -0.559 0.000 1.084 611 F HN -0.001 nan 8.300 nan 0.000 0.567 612 K N 0.221 120.559 120.400 -0.103 0.000 2.217 612 K HA -0.129 4.192 4.320 0.001 0.000 0.202 612 K C -0.107 176.411 176.600 -0.136 0.000 1.051 612 K CA 1.686 57.897 56.287 -0.126 0.000 0.952 612 K CB -0.083 32.397 32.500 -0.035 0.000 0.736 612 K HN 0.216 nan 8.250 nan 0.000 0.453 613 D N 0.192 120.533 120.400 -0.098 0.000 3.035 613 D HA 0.059 4.700 4.640 0.001 0.000 0.290 613 D C 0.090 176.342 176.300 -0.080 0.000 1.360 613 D CA -0.275 53.677 54.000 -0.081 0.000 0.862 613 D CB 0.139 40.905 40.800 -0.057 0.000 1.078 613 D HN 0.083 nan 8.370 nan 0.000 0.487 614 F N 1.304 121.068 119.950 -0.309 0.000 2.202 614 F HA -0.180 4.347 4.527 0.001 0.000 0.301 614 F C 1.407 177.094 175.800 -0.187 0.000 1.082 614 F CA 1.579 59.394 58.000 -0.308 0.000 1.313 614 F CB 0.349 39.017 39.000 -0.552 0.000 1.024 614 F HN 0.025 nan 8.300 nan 0.000 0.495 615 D N -1.157 119.139 120.400 -0.174 0.000 2.327 615 D HA -0.027 4.614 4.640 0.001 0.000 0.205 615 D C 2.113 178.309 176.300 -0.173 0.000 0.989 615 D CA 1.204 55.082 54.000 -0.204 0.000 0.873 615 D CB -0.049 40.699 40.800 -0.088 0.000 0.955 615 D HN 0.379 nan 8.370 nan 0.000 0.515 616 S N 0.048 115.667 115.700 -0.135 0.000 2.575 616 S HA 0.353 4.824 4.470 0.001 0.000 0.215 616 S C 0.897 175.431 174.600 -0.110 0.000 0.966 616 S CA -0.558 57.579 58.200 -0.105 0.000 0.911 616 S CB 0.458 63.613 63.200 -0.075 0.000 0.780 616 S HN 0.173 nan 8.310 nan 0.000 0.514 617 A N 1.851 124.583 122.820 -0.147 0.000 2.293 617 A HA 0.563 4.884 4.320 0.001 0.000 0.302 617 A C 0.201 177.699 177.584 -0.143 0.000 1.119 617 A CA -0.646 51.313 52.037 -0.129 0.000 0.823 617 A CB 0.371 19.294 19.000 -0.127 0.000 1.097 617 A HN 0.229 nan 8.150 nan 0.000 0.491 618 E N 1.534 121.674 120.200 -0.100 0.000 2.442 618 E HA 0.061 4.412 4.350 0.001 0.000 0.262 618 E C -1.682 174.853 176.600 -0.108 0.000 1.004 618 E CA -1.716 54.630 56.400 -0.091 0.000 0.928 618 E CB -0.015 29.649 29.700 -0.060 0.000 0.937 618 E HN 0.318 nan 8.360 nan 0.000 0.446 619 P HA -0.227 nan 4.420 nan 0.000 0.216 619 P C 1.149 178.411 177.300 -0.063 0.000 1.154 619 P CA 1.543 64.581 63.100 -0.104 0.000 0.865 619 P CB 0.228 31.882 31.700 -0.077 0.000 0.789 620 E N -1.042 119.135 120.200 -0.038 0.000 2.409 620 E HA -0.115 4.236 4.350 0.001 0.000 0.198 620 E C 1.363 177.969 176.600 0.009 0.000 1.024 620 E CA 1.143 57.537 56.400 -0.009 0.000 0.861 620 E CB -0.710 28.986 29.700 -0.008 0.000 0.788 620 E HN 0.257 nan 8.360 nan 0.000 0.521 621 M N 0.170 119.765 119.600 -0.008 0.000 2.461 621 M HA 0.220 4.701 4.480 0.001 0.000 0.255 621 M C 1.988 178.302 176.300 0.023 0.000 1.137 621 M CA 0.225 55.536 55.300 0.019 0.000 1.086 621 M CB -0.243 32.363 32.600 0.009 0.000 1.356 621 M HN 0.043 nan 8.290 nan 0.000 0.487 622 R N 0.070 120.547 120.500 -0.039 0.000 2.105 622 R HA -0.126 4.215 4.340 0.001 0.000 0.239 622 R C 2.505 178.900 176.300 0.158 0.000 1.135 622 R CA 1.849 57.921 56.100 -0.047 0.000 0.967 622 R CB -0.487 29.607 30.300 -0.343 0.000 0.861 622 R HN 0.301 nan 8.270 nan 0.000 0.442 623 S N 0.570 116.342 115.700 0.120 0.000 2.356 623 S HA -0.167 4.304 4.470 0.001 0.000 0.223 623 S C 2.051 176.746 174.600 0.158 0.000 1.032 623 S CA 1.866 60.159 58.200 0.154 0.000 1.005 623 S CB -0.205 63.062 63.200 0.111 0.000 0.867 623 S HN 0.497 nan 8.310 nan 0.000 0.449 624 S N 0.838 116.621 115.700 0.139 0.000 2.423 624 S HA 0.033 4.503 4.470 0.001 0.000 0.231 624 S C 1.808 176.487 174.600 0.132 0.000 1.014 624 S CA 1.050 59.334 58.200 0.139 0.000 0.965 624 S CB -0.723 62.574 63.200 0.162 0.000 0.785 624 S HN 0.611 nan 8.310 nan 0.000 0.495 625 I N 2.092 122.763 120.570 0.169 0.000 2.193 625 I HA -0.053 4.118 4.170 0.001 0.000 0.240 625 I C 3.099 179.398 176.117 0.303 0.000 1.084 625 I CA 1.049 62.481 61.300 0.220 0.000 1.365 625 I CB -0.693 37.468 38.000 0.268 0.000 1.064 625 I HN 0.399 nan 8.210 nan 0.000 0.410 626 A N 0.305 123.348 122.820 0.372 0.000 1.908 626 A HA -0.213 4.108 4.320 0.001 0.000 0.218 626 A C 2.388 180.030 177.584 0.096 0.000 1.181 626 A CA 2.545 54.743 52.037 0.267 0.000 0.627 626 A CB -1.134 18.013 19.000 0.245 0.000 0.818 626 A HN 0.384 nan 8.150 nan 0.000 0.445 627 T N 0.109 114.724 114.554 0.102 0.000 2.737 627 T HA 0.008 4.359 4.350 0.001 0.000 0.265 627 T C 2.255 176.976 174.700 0.034 0.000 1.038 627 T CA 1.576 63.708 62.100 0.054 0.000 1.144 627 T CB -0.470 68.443 68.868 0.074 0.000 0.866 627 T HN 0.605 nan 8.240 nan 0.000 0.434 628 A N 0.582 123.437 122.820 0.057 0.000 1.908 628 A HA -0.147 4.174 4.320 0.001 0.000 0.218 628 A C 2.089 179.670 177.584 -0.005 0.000 1.181 628 A CA 1.719 53.771 52.037 0.025 0.000 0.627 628 A CB -1.107 17.902 19.000 0.015 0.000 0.818 628 A HN 0.576 nan 8.150 nan 0.000 0.445 629 Y N 0.629 120.839 120.300 -0.149 0.000 2.165 629 Y HA -0.157 4.393 4.550 0.001 0.000 0.286 629 Y C 2.658 178.389 175.900 -0.282 0.000 1.155 629 Y CA 1.271 59.190 58.100 -0.303 0.000 1.164 629 Y CB -0.575 37.447 38.460 -0.730 0.000 0.978 629 Y HN 0.308 nan 8.280 nan 0.000 0.513 630 A N -0.451 122.219 122.820 -0.251 0.000 1.969 630 A HA -0.088 4.233 4.320 0.001 0.000 0.218 630 A C 2.307 179.778 177.584 -0.188 0.000 1.169 630 A CA 1.519 53.411 52.037 -0.242 0.000 0.635 630 A CB -0.901 18.041 19.000 -0.098 0.000 0.810 630 A HN 0.538 nan 8.150 nan 0.000 0.445 631 L N -0.944 120.203 121.223 -0.127 0.000 2.068 631 L HA -0.092 4.249 4.340 0.001 0.000 0.204 631 L C 2.512 179.316 176.870 -0.110 0.000 1.076 631 L CA 0.850 55.640 54.840 -0.084 0.000 0.753 631 L CB -0.305 41.734 42.059 -0.032 0.000 0.910 631 L HN 0.242 nan 8.230 nan 0.000 0.439 632 V N -0.986 118.846 119.914 -0.136 0.000 2.283 632 V HA -0.212 3.909 4.120 0.001 0.000 0.243 632 V C 2.400 178.379 176.094 -0.192 0.000 1.039 632 V CA 2.271 64.493 62.300 -0.131 0.000 1.016 632 V CB -0.502 31.262 31.823 -0.098 0.000 0.650 632 V HN 0.435 nan 8.190 nan 0.000 0.449 633 T N -0.763 113.580 114.554 -0.352 0.000 2.901 633 T HA 0.199 4.550 4.350 0.001 0.000 0.252 633 T C 1.503 175.991 174.700 -0.353 0.000 1.035 633 T CA 1.197 63.042 62.100 -0.426 0.000 1.142 633 T CB -0.187 68.163 68.868 -0.864 0.000 0.869 633 T HN 0.795 nan 8.240 nan 0.000 0.442 634 G N 2.350 110.917 108.800 -0.388 0.000 2.160 634 G HA2 -0.229 3.732 3.960 0.001 0.000 0.251 634 G HA3 -0.229 3.732 3.960 0.001 0.000 0.251 634 G C -0.100 174.664 174.900 -0.226 0.000 1.008 634 G CA 0.241 45.197 45.100 -0.240 0.000 0.724 634 G HN 0.541 nan 8.290 nan 0.000 0.514 635 D N 0.326 120.510 120.400 -0.360 0.000 2.455 635 D HA 0.343 4.983 4.640 0.001 0.000 0.234 635 D C 1.685 177.957 176.300 -0.048 0.000 1.224 635 D CA -0.401 53.483 54.000 -0.193 0.000 0.999 635 D CB 0.157 40.841 40.800 -0.194 0.000 1.072 635 D HN 0.172 nan 8.370 nan 0.000 0.514 636 L N 5.106 126.320 121.223 -0.016 0.000 1.970 636 L HA -0.216 4.124 4.340 0.001 0.000 0.212 636 L C 2.258 179.189 176.870 0.101 0.000 1.071 636 L CA 2.009 56.877 54.840 0.047 0.000 0.751 636 L CB -0.634 41.415 42.059 -0.017 0.000 0.889 636 L HN 0.415 nan 8.230 nan 0.000 0.432 637 K N -0.937 119.503 120.400 0.067 0.000 2.059 637 K HA -0.163 4.158 4.320 0.001 0.000 0.212 637 K C 2.009 178.693 176.600 0.140 0.000 1.050 637 K CA 1.762 58.101 56.287 0.086 0.000 0.927 637 K CB -1.570 30.965 32.500 0.059 0.000 0.714 637 K HN 0.453 nan 8.250 nan 0.000 0.447 638 G N 1.910 110.811 108.800 0.168 0.000 2.440 638 G HA2 -0.198 3.763 3.960 0.001 0.000 0.218 638 G HA3 -0.198 3.763 3.960 0.001 0.000 0.218 638 G C 1.607 176.677 174.900 0.283 0.000 1.154 638 G CA 0.844 46.093 45.100 0.247 0.000 0.767 638 G HN 0.191 nan 8.290 nan 0.000 0.552 639 L N -0.251 121.132 121.223 0.267 0.000 2.056 639 L HA 0.038 4.379 4.340 0.001 0.000 0.207 639 L C 2.924 179.981 176.870 0.313 0.000 1.078 639 L CA 0.485 55.468 54.840 0.238 0.000 0.749 639 L CB -0.292 41.887 42.059 0.201 0.000 0.901 639 L HN 0.193 nan 8.230 nan 0.000 0.433 640 L N -0.421 121.026 121.223 0.374 0.000 2.046 640 L HA -0.217 4.124 4.340 0.001 0.000 0.208 640 L C 2.800 179.856 176.870 0.310 0.000 1.077 640 L CA 1.166 56.252 54.840 0.409 0.000 0.747 640 L CB -0.575 41.623 42.059 0.231 0.000 0.896 640 L HN 0.371 nan 8.230 nan 0.000 0.432 641 E N 1.119 121.440 120.200 0.201 0.000 2.058 641 E HA -0.312 4.038 4.350 0.001 0.000 0.194 641 E C 2.058 178.721 176.600 0.103 0.000 0.997 641 E CA 1.820 58.297 56.400 0.128 0.000 0.801 641 E CB 0.043 29.803 29.700 0.100 0.000 0.746 641 E HN 0.191 nan 8.360 nan 0.000 0.450 642 K N -0.012 120.451 120.400 0.106 0.000 2.148 642 K HA -0.103 4.217 4.320 0.001 0.000 0.204 642 K C 2.051 178.698 176.600 0.079 0.000 1.050 642 K CA 0.951 57.247 56.287 0.015 0.000 0.942 642 K CB -0.808 31.613 32.500 -0.131 0.000 0.724 642 K HN 0.155 nan 8.250 nan 0.000 0.446 643 F N 1.336 121.292 119.950 0.009 0.000 2.102 643 F HA -0.077 4.450 4.527 0.001 0.000 0.298 643 F C 1.195 177.028 175.800 0.056 0.000 1.105 643 F CA 1.577 59.601 58.000 0.040 0.000 1.239 643 F CB -0.081 39.019 39.000 0.166 0.000 0.991 643 F HN -0.062 nan 8.300 nan 0.000 0.474 644 R N -0.641 119.815 120.500 -0.074 0.000 2.335 644 R HA 0.097 4.438 4.340 0.001 0.000 0.223 644 R C 1.816 178.056 176.300 -0.100 0.000 0.940 644 R CA 0.585 56.572 56.100 -0.189 0.000 1.086 644 R CB -0.044 30.224 30.300 -0.054 0.000 1.073 644 R HN 0.280 nan 8.270 nan 0.000 0.504 645 S N 0.036 115.700 115.700 -0.060 0.000 2.811 645 S HA 0.050 4.520 4.470 0.001 0.000 0.237 645 S C 0.853 175.436 174.600 -0.028 0.000 1.038 645 S CA 0.001 58.181 58.200 -0.033 0.000 0.881 645 S CB -0.149 63.045 63.200 -0.011 0.000 0.815 645 S HN 0.112 nan 8.310 nan 0.000 0.582 646 V N 2.382 122.298 119.914 0.003 0.000 2.953 646 V HA 0.177 4.298 4.120 0.001 0.000 0.304 646 V C 0.351 176.439 176.094 -0.010 0.000 1.138 646 V CA 0.909 63.230 62.300 0.035 0.000 1.266 646 V CB 0.113 32.013 31.823 0.128 0.000 0.923 646 V HN 0.486 nan 8.190 nan 0.000 0.505 647 D N 1.294 121.689 120.400 -0.007 0.000 2.414 647 D HA 0.130 4.771 4.640 0.001 0.000 0.237 647 D C 1.296 177.587 176.300 -0.015 0.000 0.975 647 D CA 0.458 54.444 54.000 -0.022 0.000 0.917 647 D CB -0.001 40.785 40.800 -0.024 0.000 1.061 647 D HN 0.724 nan 8.370 nan 0.000 0.480 648 R N 1.520 122.016 120.500 -0.006 0.000 2.484 648 R HA -0.051 4.290 4.340 0.001 0.000 0.293 648 R C 0.403 176.714 176.300 0.019 0.000 1.023 648 R CA 0.078 56.177 56.100 -0.003 0.000 1.037 648 R CB 0.574 30.866 30.300 -0.014 0.000 0.951 648 R HN -0.031 nan 8.270 nan 0.000 0.418 649 D N 3.052 123.463 120.400 0.018 0.000 2.263 649 D HA -0.168 4.473 4.640 0.001 0.000 0.208 649 D C 1.215 177.554 176.300 0.064 0.000 0.971 649 D CA 1.148 55.173 54.000 0.041 0.000 0.867 649 D CB 0.338 41.158 40.800 0.033 0.000 0.929 649 D HN 0.669 nan 8.370 nan 0.000 0.492 650 E N 0.171 120.398 120.200 0.045 0.000 2.118 650 E HA -0.147 4.204 4.350 0.001 0.000 0.195 650 E C 1.340 177.988 176.600 0.080 0.000 0.992 650 E CA 1.359 57.788 56.400 0.049 0.000 0.804 650 E CB 0.029 29.738 29.700 0.016 0.000 0.741 650 E HN 0.334 nan 8.360 nan 0.000 0.458 651 D N -0.670 119.789 120.400 0.097 0.000 2.194 651 D HA -0.044 4.596 4.640 0.001 0.000 0.204 651 D C 1.846 178.294 176.300 0.247 0.000 0.964 651 D CA 0.452 54.567 54.000 0.193 0.000 0.846 651 D CB -0.156 40.785 40.800 0.235 0.000 0.962 651 D HN 0.165 nan 8.370 nan 0.000 0.490 652 R N 0.735 121.359 120.500 0.206 0.000 2.105 652 R HA -0.080 4.261 4.340 0.001 0.000 0.239 652 R C 2.351 178.813 176.300 0.270 0.000 1.135 652 R CA 0.688 56.967 56.100 0.298 0.000 0.967 652 R CB -0.386 30.065 30.300 0.253 0.000 0.861 652 R HN 0.111 nan 8.270 nan 0.000 0.442 653 V N 1.091 121.119 119.914 0.190 0.000 2.343 653 V HA -0.253 3.868 4.120 0.001 0.000 0.247 653 V C 2.298 178.463 176.094 0.118 0.000 1.051 653 V CA 1.768 64.158 62.300 0.150 0.000 1.036 653 V CB -0.521 31.379 31.823 0.127 0.000 0.654 653 V HN 0.324 nan 8.190 nan 0.000 0.451 654 R N 0.039 120.623 120.500 0.139 0.000 2.083 654 R HA -0.110 4.231 4.340 0.001 0.000 0.237 654 R C 2.260 178.597 176.300 0.062 0.000 1.137 654 R CA 1.821 58.005 56.100 0.139 0.000 0.951 654 R CB -0.532 29.908 30.300 0.233 0.000 0.851 654 R HN 0.419 nan 8.270 nan 0.000 0.434 655 I N 0.708 121.285 120.570 0.013 0.000 2.226 655 I HA -0.264 3.907 4.170 0.001 0.000 0.245 655 I C 2.177 177.946 176.117 -0.581 0.000 1.100 655 I CA 0.940 62.072 61.300 -0.279 0.000 1.374 655 I CB -0.288 37.552 38.000 -0.266 0.000 1.057 655 I HN 0.112 nan 8.210 nan 0.000 0.413 656 I N 0.315 120.682 120.570 -0.339 0.000 2.248 656 I HA -0.326 3.845 4.170 0.001 0.000 0.248 656 I C 2.768 178.909 176.117 0.041 0.000 1.107 656 I CA 1.592 62.794 61.300 -0.164 0.000 1.373 656 I CB -1.262 36.760 38.000 0.037 0.000 1.055 656 I HN 0.250 nan 8.210 nan 0.000 0.418 657 S N 0.502 116.219 115.700 0.028 0.000 2.368 657 S HA -0.100 4.371 4.470 0.001 0.000 0.224 657 S C 2.245 176.878 174.600 0.056 0.000 1.029 657 S CA 1.323 59.571 58.200 0.080 0.000 0.988 657 S CB -0.125 63.119 63.200 0.074 0.000 0.838 657 S HN 0.480 nan 8.310 nan 0.000 0.462 658 A N 0.541 123.335 122.820 -0.043 0.000 1.940 658 A HA -0.007 4.314 4.320 0.001 0.000 0.219 658 A C 1.917 179.519 177.584 0.030 0.000 1.176 658 A CA 1.401 53.407 52.037 -0.053 0.000 0.631 658 A CB -1.136 17.777 19.000 -0.144 0.000 0.814 658 A HN 0.690 nan 8.150 nan 0.000 0.446 659 F N 0.061 120.035 119.950 0.039 0.000 2.192 659 F HA -0.191 4.336 4.527 0.001 0.000 0.301 659 F C 2.520 178.433 175.800 0.187 0.000 1.079 659 F CA 0.452 58.493 58.000 0.068 0.000 1.303 659 F CB -0.229 38.774 39.000 0.004 0.000 1.024 659 F HN 0.396 nan 8.300 nan 0.000 0.494 660 G N -0.828 108.177 108.800 0.342 0.000 2.679 660 G HA2 -0.168 3.793 3.960 0.001 0.000 0.212 660 G HA3 -0.168 3.793 3.960 0.001 0.000 0.212 660 G C 1.376 176.291 174.900 0.025 0.000 1.137 660 G CA 0.302 45.434 45.100 0.053 0.000 0.787 660 G HN 0.129 nan 8.290 nan 0.000 0.534 661 K N -0.258 120.177 120.400 0.060 0.000 2.404 661 K HA 0.323 4.644 4.320 0.001 0.000 0.194 661 K C 0.754 177.358 176.600 0.007 0.000 1.023 661 K CA -0.255 56.046 56.287 0.024 0.000 1.094 661 K CB 0.041 32.550 32.500 0.015 0.000 0.841 661 K HN 0.234 nan 8.250 nan 0.000 0.523 662 L N 1.352 122.588 121.223 0.023 0.000 2.410 662 L HA 0.072 4.413 4.340 0.001 0.000 0.273 662 L C 1.195 178.048 176.870 -0.028 0.000 1.152 662 L CA 0.041 54.874 54.840 -0.012 0.000 0.855 662 L CB 0.787 42.846 42.059 -0.001 0.000 1.129 662 L HN 0.067 nan 8.230 nan 0.000 0.463 663 K N 1.104 121.484 120.400 -0.032 0.000 2.076 663 K HA -0.031 4.289 4.320 0.001 0.000 0.204 663 K C 0.999 177.583 176.600 -0.027 0.000 1.051 663 K CA 0.355 56.631 56.287 -0.020 0.000 0.949 663 K CB 0.043 32.535 32.500 -0.013 0.000 0.726 663 K HN 0.572 nan 8.250 nan 0.000 0.443 664 S N 2.270 117.946 115.700 -0.041 0.000 2.596 664 S HA -0.089 4.382 4.470 0.001 0.000 0.298 664 S C 1.062 175.622 174.600 -0.067 0.000 1.255 664 S CA -0.307 57.867 58.200 -0.043 0.000 1.083 664 S CB 0.131 63.302 63.200 -0.049 0.000 0.837 664 S HN 0.263 nan 8.310 nan 0.000 0.499 665 N N 3.889 122.574 118.700 -0.026 0.000 2.364 665 N HA -0.110 4.631 4.740 0.001 0.000 0.183 665 N C 1.211 176.694 175.510 -0.044 0.000 1.022 665 N CA 1.753 54.798 53.050 -0.008 0.000 0.883 665 N CB -0.220 38.320 38.487 0.089 0.000 0.965 665 N HN 0.699 nan 8.380 nan 0.000 0.438 666 T N 0.663 115.195 114.554 -0.037 0.000 2.812 666 T HA -0.040 4.311 4.350 0.001 0.000 0.264 666 T C 1.093 175.742 174.700 -0.084 0.000 1.042 666 T CA 0.859 62.939 62.100 -0.033 0.000 1.140 666 T CB -0.125 68.731 68.868 -0.020 0.000 0.870 666 T HN 0.249 nan 8.240 nan 0.000 0.445 667 D N 1.258 121.592 120.400 -0.111 0.000 2.144 667 D HA 0.027 4.668 4.640 0.001 0.000 0.200 667 D C 2.127 178.296 176.300 -0.218 0.000 0.978 667 D CA 0.676 54.591 54.000 -0.142 0.000 0.833 667 D CB -0.181 40.553 40.800 -0.109 0.000 0.961 667 D HN 0.329 nan 8.370 nan 0.000 0.470 668 L N 0.640 121.670 121.223 -0.322 0.000 2.093 668 L HA -0.110 4.231 4.340 0.001 0.000 0.208 668 L C 2.501 179.031 176.870 -0.567 0.000 1.085 668 L CA 0.715 55.207 54.840 -0.579 0.000 0.755 668 L CB -0.300 41.046 42.059 -1.188 0.000 0.904 668 L HN -0.094 nan 8.230 nan 0.000 0.435 669 S N -0.854 114.648 115.700 -0.330 0.000 2.402 669 S HA -0.154 4.317 4.470 0.001 0.000 0.229 669 S C 2.019 176.660 174.600 0.067 0.000 1.021 669 S CA 1.678 59.944 58.200 0.110 0.000 0.974 669 S CB -0.206 63.094 63.200 0.167 0.000 0.800 669 S HN 0.435 nan 8.310 nan 0.000 0.484 670 T N 1.945 116.452 114.554 -0.080 0.000 2.737 670 T HA -0.029 4.321 4.350 0.001 0.000 0.265 670 T C 1.961 176.517 174.700 -0.241 0.000 1.038 670 T CA 1.172 63.194 62.100 -0.130 0.000 1.144 670 T CB -0.337 68.436 68.868 -0.159 0.000 0.866 670 T HN 0.205 nan 8.240 nan 0.000 0.434 671 V N 0.596 120.283 119.914 -0.377 0.000 2.407 671 V HA -0.156 3.965 4.120 0.001 0.000 0.248 671 V C 2.062 177.814 176.094 -0.569 0.000 1.055 671 V CA 1.500 63.393 62.300 -0.679 0.000 1.049 671 V CB -0.767 30.489 31.823 -0.945 0.000 0.662 671 V HN 0.490 nan 8.190 nan 0.000 0.455 672 Y N 2.163 122.258 120.300 -0.342 0.000 2.224 672 Y HA -0.063 4.487 4.550 0.001 0.000 0.289 672 Y C 2.317 178.183 175.900 -0.057 0.000 1.146 672 Y CA 1.275 59.342 58.100 -0.054 0.000 1.182 672 Y CB -0.839 37.877 38.460 0.427 0.000 0.983 672 Y HN 0.189 nan 8.280 nan 0.000 0.524 673 G N 0.197 108.931 108.800 -0.110 0.000 2.440 673 G HA2 -0.298 3.663 3.960 0.001 0.000 0.218 673 G HA3 -0.298 3.663 3.960 0.001 0.000 0.218 673 G C 1.620 176.389 174.900 -0.219 0.000 1.154 673 G CA 1.260 46.262 45.100 -0.165 0.000 0.767 673 G HN 0.459 nan 8.290 nan 0.000 0.552 674 M N 0.039 119.494 119.600 -0.242 0.000 2.213 674 M HA -0.041 4.440 4.480 0.001 0.000 0.263 674 M C 2.569 178.754 176.300 -0.192 0.000 1.062 674 M CA 0.748 55.927 55.300 -0.201 0.000 1.105 674 M CB -0.158 32.291 32.600 -0.252 0.000 1.385 674 M HN 0.115 nan 8.290 nan 0.000 0.417 675 V N 0.226 119.961 119.914 -0.297 0.000 2.379 675 V HA -0.197 3.924 4.120 0.001 0.000 0.245 675 V C 2.058 178.009 176.094 -0.238 0.000 1.044 675 V CA 1.653 63.800 62.300 -0.255 0.000 1.036 675 V CB -0.703 30.942 31.823 -0.297 0.000 0.664 675 V HN 0.462 nan 8.190 nan 0.000 0.453 676 E N 0.146 120.123 120.200 -0.373 0.000 2.204 676 E HA -0.190 4.160 4.350 0.001 0.000 0.195 676 E C 1.750 178.338 176.600 -0.020 0.000 0.990 676 E CA 0.936 57.186 56.400 -0.249 0.000 0.821 676 E CB 0.028 29.557 29.700 -0.286 0.000 0.750 676 E HN 0.636 nan 8.360 nan 0.000 0.477 677 K N -0.422 119.955 120.400 -0.039 0.000 2.849 677 K HA 0.119 4.440 4.320 0.001 0.000 0.175 677 K C 1.206 177.837 176.600 0.051 0.000 1.113 677 K CA 1.006 57.298 56.287 0.008 0.000 1.286 677 K CB 0.332 32.820 32.500 -0.019 0.000 1.776 677 K HN -0.130 nan 8.250 nan 0.000 0.472 678 T N -0.403 114.170 114.554 0.032 0.000 3.524 678 T HA 0.056 4.407 4.350 0.001 0.000 0.300 678 T C 0.735 175.467 174.700 0.054 0.000 0.872 678 T CA -0.362 61.768 62.100 0.050 0.000 0.888 678 T CB 0.368 69.251 68.868 0.024 0.000 1.216 678 T HN 0.181 nan 8.240 nan 0.000 0.724 679 E N 0.833 121.063 120.200 0.049 0.000 2.130 679 E HA -0.099 4.252 4.350 0.001 0.000 0.196 679 E C 0.034 176.746 176.600 0.187 0.000 0.998 679 E CA 1.053 57.514 56.400 0.101 0.000 0.806 679 E CB 0.012 29.776 29.700 0.107 0.000 0.738 679 E HN 0.357 nan 8.360 nan 0.000 0.459 680 I N 2.399 123.044 120.570 0.125 0.000 2.312 680 I HA -0.004 4.167 4.170 0.001 0.000 0.291 680 I C 0.118 176.314 176.117 0.130 0.000 1.031 680 I CA -0.286 61.104 61.300 0.149 0.000 1.293 680 I CB 1.058 39.042 38.000 -0.026 0.000 1.403 680 I HN -0.260 nan 8.210 nan 0.000 0.484 681 K N 5.930 126.428 120.400 0.164 0.000 2.569 681 K HA -0.137 4.184 4.320 0.001 0.000 0.280 681 K C 1.261 177.944 176.600 0.138 0.000 0.984 681 K CA 0.255 56.621 56.287 0.131 0.000 1.064 681 K CB 0.423 33.005 32.500 0.137 0.000 0.866 681 K HN 0.521 nan 8.250 nan 0.000 0.492 682 K N 2.487 122.957 120.400 0.117 0.000 2.152 682 K HA -0.212 4.108 4.320 0.001 0.000 0.206 682 K C 1.854 178.603 176.600 0.248 0.000 1.048 682 K CA 1.513 57.877 56.287 0.127 0.000 0.933 682 K CB 0.259 32.747 32.500 -0.021 0.000 0.721 682 K HN 0.565 nan 8.250 nan 0.000 0.447 683 Q N -0.217 119.718 119.800 0.225 0.000 2.187 683 Q HA -0.136 4.205 4.340 0.001 0.000 0.199 683 Q C 0.642 176.787 176.000 0.241 0.000 0.957 683 Q CA 1.203 57.169 55.803 0.273 0.000 0.857 683 Q CB -0.045 28.810 28.738 0.195 0.000 0.929 683 Q HN 0.269 nan 8.270 nan 0.000 0.453 684 D N 0.965 121.486 120.400 0.201 0.000 2.323 684 D HA -0.024 4.617 4.640 0.001 0.000 0.209 684 D C 1.885 178.294 176.300 0.181 0.000 0.973 684 D CA 0.423 54.532 54.000 0.181 0.000 0.874 684 D CB -0.214 40.691 40.800 0.175 0.000 0.930 684 D HN 0.266 nan 8.370 nan 0.000 0.521 685 M N 0.558 120.278 119.600 0.201 0.000 2.089 685 M HA -0.217 4.264 4.480 0.001 0.000 0.257 685 M C 1.490 177.919 176.300 0.214 0.000 1.071 685 M CA 1.486 56.892 55.300 0.177 0.000 1.096 685 M CB 0.035 32.807 32.600 0.287 0.000 1.330 685 M HN -0.090 nan 8.290 nan 0.000 0.403 686 I N -0.216 120.532 120.570 0.296 0.000 2.361 686 I HA -0.224 3.947 4.170 0.001 0.000 0.251 686 I C 2.628 178.877 176.117 0.221 0.000 1.133 686 I CA 1.350 62.825 61.300 0.292 0.000 1.413 686 I CB -1.766 36.357 38.000 0.205 0.000 1.073 686 I HN 0.423 nan 8.210 nan 0.000 0.424 687 S N 0.455 116.268 115.700 0.188 0.000 2.399 687 S HA -0.203 4.268 4.470 0.001 0.000 0.231 687 S C 2.018 176.717 174.600 0.164 0.000 1.022 687 S CA 1.099 59.395 58.200 0.160 0.000 0.983 687 S CB -0.357 62.934 63.200 0.153 0.000 0.803 687 S HN 0.434 nan 8.310 nan 0.000 0.480 688 F N 0.984 120.924 119.950 -0.017 0.000 2.022 688 F HA -0.035 4.493 4.527 0.001 0.000 0.293 688 F C 1.684 177.480 175.800 -0.008 0.000 1.142 688 F CA 1.724 59.673 58.000 -0.085 0.000 1.177 688 F CB -0.505 38.324 39.000 -0.286 0.000 0.982 688 F HN 0.211 nan 8.300 nan 0.000 0.473 689 F N 0.564 120.454 119.950 -0.100 0.000 2.154 689 F HA -0.226 4.302 4.527 0.002 0.000 0.301 689 F C 2.999 178.727 175.800 -0.119 0.000 1.087 689 F CA 1.486 59.375 58.000 -0.186 0.000 1.274 689 F CB -1.688 37.334 39.000 0.037 0.000 1.009 689 F HN 0.122 nan 8.300 nan 0.000 0.485 690 S N -1.012 114.774 115.700 0.144 0.000 2.383 690 S HA -0.191 4.280 4.470 0.001 0.000 0.227 690 S C 2.433 177.059 174.600 0.044 0.000 1.026 690 S CA 1.414 59.675 58.200 0.101 0.000 0.981 690 S CB -0.596 62.674 63.200 0.117 0.000 0.818 690 S HN 0.379 nan 8.310 nan 0.000 0.472 691 S N 0.870 116.571 115.700 0.002 0.000 2.368 691 S HA 0.075 4.546 4.470 0.001 0.000 0.224 691 S C 2.088 176.661 174.600 -0.045 0.000 1.029 691 S CA 1.266 59.462 58.200 -0.007 0.000 0.988 691 S CB -0.788 62.418 63.200 0.010 0.000 0.838 691 S HN 0.685 nan 8.310 nan 0.000 0.462 692 A N 1.294 124.031 122.820 -0.138 0.000 2.076 692 A HA 0.060 4.380 4.320 0.001 0.000 0.220 692 A C 2.100 179.676 177.584 -0.014 0.000 1.160 692 A CA 1.228 53.202 52.037 -0.104 0.000 0.653 692 A CB -0.739 18.158 19.000 -0.171 0.000 0.801 692 A HN 0.616 nan 8.150 nan 0.000 0.455 693 L N -0.866 120.358 121.223 0.001 0.000 2.291 693 L HA -0.114 4.227 4.340 0.001 0.000 0.214 693 L C 2.001 178.870 176.870 -0.001 0.000 1.120 693 L CA 0.919 55.766 54.840 0.011 0.000 0.799 693 L CB -0.379 41.692 42.059 0.020 0.000 0.925 693 L HN 0.450 nan 8.230 nan 0.000 0.446 694 E N -0.290 119.913 120.200 0.005 0.000 2.511 694 E HA -0.041 4.309 4.350 0.001 0.000 0.196 694 E C 0.540 177.146 176.600 0.011 0.000 1.066 694 E CA 0.389 56.793 56.400 0.006 0.000 0.871 694 E CB 0.151 29.866 29.700 0.024 0.000 0.863 694 E HN 0.454 nan 8.360 nan 0.000 0.520 695 T N -3.116 111.447 114.554 0.015 0.000 2.896 695 T HA 0.240 4.591 4.350 0.001 0.000 0.297 695 T C 0.509 175.231 174.700 0.037 0.000 1.108 695 T CA -0.892 61.225 62.100 0.029 0.000 1.004 695 T CB 1.725 70.612 68.868 0.032 0.000 1.159 695 T HN -0.069 nan 8.240 nan 0.000 0.499 696 L N 2.094 123.347 121.223 0.050 0.000 2.005 696 L HA 0.210 4.551 4.340 0.001 0.000 0.207 696 L C -0.646 176.274 176.870 0.083 0.000 1.072 696 L CA 1.648 56.526 54.840 0.065 0.000 0.744 696 L CB -1.181 40.923 42.059 0.074 0.000 0.895 696 L HN 0.629 nan 8.230 nan 0.000 0.433 697 P HA -0.110 nan 4.420 nan 0.000 0.218 697 P C 1.571 178.935 177.300 0.107 0.000 1.149 697 P CA 1.916 65.066 63.100 0.083 0.000 0.817 697 P CB -0.320 31.411 31.700 0.052 0.000 0.785 698 G N 0.320 109.169 108.800 0.081 0.000 2.421 698 G HA2 -0.178 3.783 3.960 0.001 0.000 0.217 698 G HA3 -0.178 3.783 3.960 0.001 0.000 0.217 698 G C 1.792 176.770 174.900 0.131 0.000 1.143 698 G CA 0.156 45.310 45.100 0.092 0.000 0.784 698 G HN 0.239 nan 8.290 nan 0.000 0.541 699 R N 0.116 120.678 120.500 0.104 0.000 2.148 699 R HA 0.047 4.388 4.340 0.001 0.000 0.223 699 R C 2.269 178.651 176.300 0.137 0.000 1.088 699 R CA 0.768 56.931 56.100 0.105 0.000 0.985 699 R CB -0.037 30.316 30.300 0.088 0.000 0.880 699 R HN 0.247 nan 8.270 nan 0.000 0.451 700 E N 0.377 120.675 120.200 0.163 0.000 2.107 700 E HA -0.163 4.188 4.350 0.001 0.000 0.191 700 E C 1.638 178.309 176.600 0.120 0.000 0.982 700 E CA 0.873 57.368 56.400 0.158 0.000 0.809 700 E CB -0.195 29.610 29.700 0.174 0.000 0.756 700 E HN 0.224 nan 8.360 nan 0.000 0.459 701 F N 1.719 121.675 119.950 0.010 0.000 2.146 701 F HA -0.165 4.363 4.527 0.002 0.000 0.298 701 F C 2.019 177.778 175.800 -0.069 0.000 1.096 701 F CA 0.889 58.874 58.000 -0.025 0.000 1.275 701 F CB -0.080 38.920 39.000 -0.000 0.000 1.008 701 F HN -0.107 nan 8.300 nan 0.000 0.480 702 I N -0.112 120.388 120.570 -0.117 0.000 2.226 702 I HA -0.293 3.878 4.170 0.001 0.000 0.245 702 I C 2.491 178.452 176.117 -0.260 0.000 1.100 702 I CA 1.497 62.654 61.300 -0.237 0.000 1.374 702 I CB -1.700 36.267 38.000 -0.054 0.000 1.057 702 I HN 0.250 nan 8.210 nan 0.000 0.413 703 F N 1.975 121.744 119.950 -0.302 0.000 2.146 703 F HA -0.157 4.370 4.527 0.001 0.000 0.298 703 F C 2.520 178.111 175.800 -0.349 0.000 1.096 703 F CA 1.642 59.431 58.000 -0.352 0.000 1.275 703 F CB -0.012 38.631 39.000 -0.595 0.000 1.008 703 F HN 0.013 nan 8.300 nan 0.000 0.480 704 A N 0.137 122.634 122.820 -0.538 0.000 2.019 704 A HA -0.187 4.134 4.320 0.001 0.000 0.219 704 A C 1.227 178.478 177.584 -0.554 0.000 1.164 704 A CA 1.914 53.616 52.037 -0.558 0.000 0.644 704 A CB -0.759 18.064 19.000 -0.294 0.000 0.805 704 A HN 0.597 nan 8.150 nan 0.000 0.449 705 N N -1.166 117.151 118.700 -0.638 0.000 2.235 705 N HA 0.218 4.959 4.740 0.001 0.000 0.231 705 N C 0.799 175.990 175.510 -0.531 0.000 1.177 705 N CA -0.269 52.402 53.050 -0.631 0.000 0.874 705 N CB 0.575 38.485 38.487 -0.962 0.000 1.097 705 N HN 0.261 nan 8.380 nan 0.000 0.518 706 L N 1.254 122.202 121.223 -0.459 0.000 1.990 706 L HA -0.195 4.145 4.340 0.001 0.000 0.213 706 L C 1.958 178.670 176.870 -0.264 0.000 1.072 706 L CA 1.950 56.590 54.840 -0.332 0.000 0.755 706 L CB -0.566 41.350 42.059 -0.238 0.000 0.889 706 L HN 0.324 nan 8.230 nan 0.000 0.432 707 D N -0.178 120.080 120.400 -0.238 0.000 2.106 707 D HA -0.286 4.355 4.640 0.001 0.000 0.191 707 D C 2.142 178.362 176.300 -0.133 0.000 0.997 707 D CA 2.020 55.925 54.000 -0.160 0.000 0.834 707 D CB -0.014 40.700 40.800 -0.144 0.000 0.956 707 D HN 0.593 nan 8.370 nan 0.000 0.448 708 R N -0.343 120.067 120.500 -0.151 0.000 2.189 708 R HA -0.033 4.308 4.340 0.001 0.000 0.218 708 R C 2.379 178.648 176.300 -0.052 0.000 1.074 708 R CA 0.642 56.701 56.100 -0.068 0.000 0.991 708 R CB -0.386 29.898 30.300 -0.026 0.000 0.883 708 R HN 0.169 nan 8.270 nan 0.000 0.457 709 I N 1.547 121.991 120.570 -0.210 0.000 2.233 709 I HA -0.128 4.043 4.170 0.001 0.000 0.243 709 I C 2.238 178.234 176.117 -0.202 0.000 1.093 709 I CA 1.072 62.196 61.300 -0.294 0.000 1.380 709 I CB -0.141 37.474 38.000 -0.641 0.000 1.067 709 I HN 0.094 nan 8.210 nan 0.000 0.413 710 I N -0.133 120.333 120.570 -0.173 0.000 2.142 710 I HA -0.297 3.874 4.170 0.001 0.000 0.240 710 I C 2.578 178.683 176.117 -0.020 0.000 1.078 710 I CA 1.305 62.550 61.300 -0.092 0.000 1.343 710 I CB -0.476 37.475 38.000 -0.081 0.000 1.046 710 I HN 0.120 nan 8.210 nan 0.000 0.405 711 R N 0.484 120.974 120.500 -0.016 0.000 2.117 711 R HA -0.208 4.133 4.340 0.001 0.000 0.243 711 R C 2.362 178.699 176.300 0.063 0.000 1.143 711 R CA 1.513 57.627 56.100 0.024 0.000 0.968 711 R CB -0.589 29.721 30.300 0.017 0.000 0.863 711 R HN 0.369 nan 8.270 nan 0.000 0.444 712 L N 0.543 121.791 121.223 0.042 0.000 2.005 712 L HA -0.161 4.180 4.340 0.001 0.000 0.207 712 L C 2.149 179.065 176.870 0.076 0.000 1.072 712 L CA 1.290 56.139 54.840 0.015 0.000 0.744 712 L CB -0.180 41.852 42.059 -0.047 0.000 0.895 712 L HN -0.063 nan 8.230 nan 0.000 0.433 713 V N 0.366 120.354 119.914 0.124 0.000 2.332 713 V HA -0.339 3.782 4.120 0.001 0.000 0.248 713 V C 2.427 178.739 176.094 0.363 0.000 1.055 713 V CA 2.265 64.749 62.300 0.307 0.000 1.038 713 V CB -0.534 31.398 31.823 0.183 0.000 0.651 713 V HN 0.432 nan 8.190 nan 0.000 0.450 714 I N -0.496 120.195 120.570 0.202 0.000 2.208 714 I HA -0.277 3.893 4.170 0.001 0.000 0.245 714 I C 2.752 178.990 176.117 0.201 0.000 1.097 714 I CA 1.885 63.288 61.300 0.171 0.000 1.363 714 I CB -0.358 37.700 38.000 0.096 0.000 1.051 714 I HN 0.204 nan 8.210 nan 0.000 0.413 715 R N 0.077 120.707 120.500 0.217 0.000 2.073 715 R HA -0.130 4.210 4.340 0.001 0.000 0.229 715 R C 2.274 178.714 176.300 0.233 0.000 1.120 715 R CA 1.307 57.535 56.100 0.214 0.000 0.967 715 R CB -0.248 30.195 30.300 0.238 0.000 0.862 715 R HN 0.322 nan 8.270 nan 0.000 0.436 716 Y N -1.220 119.083 120.300 0.005 0.000 2.571 716 Y HA -0.117 4.433 4.550 0.001 0.000 0.294 716 Y C 0.977 176.617 175.900 -0.433 0.000 1.141 716 Y CA 0.299 58.280 58.100 -0.198 0.000 1.308 716 Y CB 0.326 38.633 38.460 -0.254 0.000 1.002 716 Y HN 0.099 nan 8.280 nan 0.000 0.551 717 F N -1.989 118.062 119.950 0.168 0.000 2.495 717 F HA 0.160 4.688 4.527 0.001 0.000 0.272 717 F C 0.697 176.522 175.800 0.041 0.000 0.919 717 F CA 0.233 58.288 58.000 0.092 0.000 1.178 717 F CB -0.141 38.914 39.000 0.091 0.000 1.030 717 F HN -0.439 nan 8.300 nan 0.000 0.777 718 T N 1.137 115.828 114.554 0.228 0.000 0.690 718 T HA 0.322 4.672 4.350 0.001 0.000 0.758 718 T C -0.298 174.453 174.700 0.086 0.000 0.990 718 T CA 0.748 62.917 62.100 0.115 0.000 3.999 718 T CB -1.276 67.629 68.868 0.062 0.000 2.259 718 T HN 1.207 nan 8.240 nan 0.000 0.391 719 G N 2.921 111.751 108.800 0.050 0.000 2.653 719 G HA2 0.166 4.126 3.960 0.001 0.000 0.656 719 G HA3 0.166 4.126 3.960 0.001 0.000 0.656 719 G C -0.585 174.305 174.900 -0.016 0.000 1.419 719 G CA -0.435 44.666 45.100 0.002 0.000 0.862 719 G HN 0.937 nan 8.290 nan 0.000 0.639 720 N N 1.409 120.088 118.700 -0.036 0.000 2.484 720 N HA 0.161 4.902 4.740 0.001 0.000 0.295 720 N C 1.047 176.518 175.510 -0.065 0.000 1.240 720 N CA 0.649 53.678 53.050 -0.035 0.000 1.085 720 N CB 0.068 38.538 38.487 -0.028 0.000 1.465 720 N HN 0.769 nan 8.380 nan 0.000 0.496 721 R N 0.044 120.505 120.500 -0.064 0.000 5.615 721 R HA 0.037 4.377 4.340 0.001 0.000 0.087 721 R C 1.506 177.758 176.300 -0.081 0.000 0.786 721 R CA 0.146 56.196 56.100 -0.084 0.000 0.846 721 R CB -0.364 29.823 30.300 -0.188 0.000 1.105 721 R HN 0.229 nan 8.270 nan 0.000 0.383 722 T N 1.633 116.091 114.554 -0.160 0.000 2.607 722 T HA -0.189 4.162 4.350 0.001 0.000 0.267 722 T C 1.752 176.343 174.700 -0.182 0.000 1.049 722 T CA 1.961 63.889 62.100 -0.287 0.000 1.162 722 T CB -0.532 67.862 68.868 -0.791 0.000 0.863 722 T HN 0.476 nan 8.240 nan 0.000 0.424 723 A N 0.971 123.728 122.820 -0.105 0.000 1.908 723 A HA -0.135 4.185 4.320 0.001 0.000 0.218 723 A C 2.585 180.155 177.584 -0.023 0.000 1.181 723 A CA 2.312 54.334 52.037 -0.026 0.000 0.627 723 A CB -1.126 17.894 19.000 0.033 0.000 0.818 723 A HN 0.466 nan 8.150 nan 0.000 0.445 724 S N 0.030 115.719 115.700 -0.019 0.000 2.356 724 S HA -0.222 4.248 4.470 0.001 0.000 0.223 724 S C 2.240 176.844 174.600 0.005 0.000 1.032 724 S CA 1.634 59.833 58.200 -0.002 0.000 1.005 724 S CB -0.377 62.827 63.200 0.005 0.000 0.867 724 S HN 0.774 nan 8.310 nan 0.000 0.449 725 R N -0.083 120.417 120.500 0.001 0.000 2.115 725 R HA 0.048 4.389 4.340 0.001 0.000 0.226 725 R C 2.034 178.343 176.300 0.014 0.000 1.100 725 R CA 1.755 57.867 56.100 0.020 0.000 0.980 725 R CB -1.282 29.037 30.300 0.031 0.000 0.875 725 R HN 0.255 nan 8.270 nan 0.000 0.445 726 T N 0.924 115.472 114.554 -0.009 0.000 2.746 726 T HA -0.064 4.287 4.350 0.001 0.000 0.267 726 T C 1.914 176.611 174.700 -0.004 0.000 1.039 726 T CA 1.497 63.594 62.100 -0.004 0.000 1.142 726 T CB -0.140 68.714 68.868 -0.023 0.000 0.866 726 T HN 0.054 nan 8.240 nan 0.000 0.444 727 V N 1.328 121.237 119.914 -0.009 0.000 2.358 727 V HA -0.134 3.987 4.120 0.001 0.000 0.246 727 V C 2.524 178.625 176.094 0.013 0.000 1.047 727 V CA 1.728 64.024 62.300 -0.007 0.000 1.035 727 V CB -0.516 31.304 31.823 -0.006 0.000 0.658 727 V HN 0.551 nan 8.190 nan 0.000 0.452 728 E N -0.250 119.963 120.200 0.023 0.000 2.153 728 E HA -0.262 4.089 4.350 0.001 0.000 0.194 728 E C 2.212 178.843 176.600 0.051 0.000 0.988 728 E CA 1.561 57.983 56.400 0.036 0.000 0.811 728 E CB -0.092 29.633 29.700 0.041 0.000 0.746 728 E HN 0.611 nan 8.360 nan 0.000 0.466 729 M N -0.147 119.485 119.600 0.053 0.000 2.098 729 M HA -0.133 4.348 4.480 0.001 0.000 0.262 729 M C 2.085 178.429 176.300 0.073 0.000 1.072 729 M CA 1.381 56.727 55.300 0.076 0.000 1.133 729 M CB 0.013 32.658 32.600 0.074 0.000 1.344 729 M HN 0.167 nan 8.290 nan 0.000 0.414 730 M N 0.397 120.022 119.600 0.042 0.000 2.123 730 M HA -0.159 4.322 4.480 0.001 0.000 0.263 730 M C 2.052 178.368 176.300 0.026 0.000 1.069 730 M CA 1.035 56.351 55.300 0.027 0.000 1.133 730 M CB -0.575 32.024 32.600 -0.003 0.000 1.356 730 M HN 0.266 nan 8.290 nan 0.000 0.415 731 I N 1.029 121.614 120.570 0.025 0.000 2.145 731 I HA -0.215 3.956 4.170 0.001 0.000 0.244 731 I C -0.374 175.755 176.117 0.020 0.000 1.075 731 I CA 1.921 63.235 61.300 0.024 0.000 1.332 731 I CB -2.752 35.261 38.000 0.022 0.000 1.033 731 I HN 0.189 nan 8.210 nan 0.000 0.410 732 P HA -0.043 nan 4.420 nan 0.000 0.226 732 P C 1.886 179.186 177.300 0.001 0.000 1.153 732 P CA 1.044 64.167 63.100 0.038 0.000 0.777 732 P CB 0.230 31.987 31.700 0.094 0.000 0.794 733 V N -0.064 119.843 119.914 -0.012 0.000 2.490 733 V HA -0.022 4.099 4.120 0.001 0.000 0.238 733 V C 2.581 178.648 176.094 -0.046 0.000 1.056 733 V CA 0.894 63.155 62.300 -0.065 0.000 1.075 733 V CB -0.736 31.045 31.823 -0.070 0.000 0.746 733 V HN -0.088 nan 8.190 nan 0.000 0.479 734 I N 1.399 121.965 120.570 -0.006 0.000 2.614 734 I HA -0.081 4.090 4.170 0.001 0.000 0.258 734 I C 2.417 178.523 176.117 -0.020 0.000 1.189 734 I CA 1.341 62.657 61.300 0.026 0.000 1.462 734 I CB -0.687 37.356 38.000 0.071 0.000 1.092 734 I HN 0.410 nan 8.210 nan 0.000 0.442 735 G N 0.977 109.759 108.800 -0.030 0.000 2.498 735 G HA2 -0.160 3.801 3.960 0.001 0.000 0.219 735 G HA3 -0.160 3.801 3.960 0.001 0.000 0.219 735 G C 1.487 176.331 174.900 -0.094 0.000 1.119 735 G CA 0.395 45.465 45.100 -0.050 0.000 0.766 735 G HN 0.163 nan 8.290 nan 0.000 0.552 736 L N 0.983 122.141 121.223 -0.107 0.000 2.005 736 L HA 0.049 4.390 4.340 0.001 0.000 0.207 736 L C 2.134 178.883 176.870 -0.201 0.000 1.072 736 L CA 1.646 56.410 54.840 -0.127 0.000 0.744 736 L CB -0.500 41.491 42.059 -0.113 0.000 0.895 736 L HN 0.054 nan 8.230 nan 0.000 0.433 737 D N -2.235 117.978 120.400 -0.311 0.000 2.305 737 D HA 0.005 4.645 4.640 0.001 0.000 0.206 737 D C 0.417 176.196 176.300 -0.868 0.000 0.974 737 D CA 0.745 54.411 54.000 -0.557 0.000 0.871 737 D CB 0.111 40.510 40.800 -0.669 0.000 0.947 737 D HN 0.364 nan 8.370 nan 0.000 0.516 738 H N -0.429 118.417 119.070 -0.374 0.000 2.448 738 H HA 0.224 4.780 4.556 0.001 0.000 0.237 738 H C -1.913 173.200 175.328 -0.357 0.000 1.391 738 H CA -1.455 54.225 56.048 -0.612 0.000 1.477 738 H CB 1.453 30.339 29.762 -1.460 0.000 1.520 738 H HN -0.050 nan 8.280 nan 0.000 0.502 739 P HA -0.104 nan 4.420 nan 0.000 0.226 739 P C 0.839 178.140 177.300 0.002 0.000 1.146 739 P CA 0.954 64.019 63.100 -0.058 0.000 0.773 739 P CB 0.468 32.136 31.700 -0.054 0.000 0.772 740 D N -0.767 119.657 120.400 0.040 0.000 2.277 740 D HA -0.016 4.624 4.640 0.001 0.000 0.208 740 D C 2.006 178.426 176.300 0.199 0.000 0.962 740 D CA 0.822 54.905 54.000 0.139 0.000 0.865 740 D CB -0.677 40.269 40.800 0.243 0.000 0.939 740 D HN 0.045 nan 8.370 nan 0.000 0.510 741 A N 1.258 124.218 122.820 0.234 0.000 1.927 741 A HA -0.310 4.011 4.320 0.001 0.000 0.220 741 A C 2.113 179.760 177.584 0.105 0.000 1.185 741 A CA 2.100 54.280 52.037 0.238 0.000 0.639 741 A CB -0.695 18.413 19.000 0.181 0.000 0.820 741 A HN 0.358 nan 8.150 nan 0.000 0.451 742 E N -0.144 120.095 120.200 0.065 0.000 2.038 742 E HA -0.270 4.081 4.350 0.001 0.000 0.195 742 E C 1.269 177.887 176.600 0.031 0.000 1.000 742 E CA 1.614 58.035 56.400 0.036 0.000 0.803 742 E CB -0.282 29.431 29.700 0.022 0.000 0.750 742 E HN 0.608 nan 8.360 nan 0.000 0.448 743 D N 0.539 120.961 120.400 0.037 0.000 2.219 743 D HA -0.139 4.501 4.640 0.001 0.000 0.205 743 D C 2.033 178.345 176.300 0.021 0.000 0.970 743 D CA 0.621 54.637 54.000 0.027 0.000 0.851 743 D CB -0.017 40.801 40.800 0.030 0.000 0.943 743 D HN 0.298 nan 8.370 nan 0.000 0.488 744 I N 0.920 121.508 120.570 0.030 0.000 2.202 744 I HA -0.174 3.997 4.170 0.001 0.000 0.242 744 I C 2.598 178.706 176.117 -0.014 0.000 1.091 744 I CA 0.653 61.953 61.300 0.000 0.000 1.368 744 I CB -1.087 36.907 38.000 -0.009 0.000 1.058 744 I HN -0.094 nan 8.210 nan 0.000 0.410 745 V N 0.993 120.903 119.914 -0.006 0.000 2.407 745 V HA -0.250 3.871 4.120 0.001 0.000 0.248 745 V C 2.738 178.828 176.094 -0.008 0.000 1.055 745 V CA 1.812 64.103 62.300 -0.014 0.000 1.049 745 V CB -0.884 30.934 31.823 -0.007 0.000 0.662 745 V HN 0.385 nan 8.190 nan 0.000 0.455 746 R N 0.539 121.038 120.500 -0.001 0.000 2.073 746 R HA -0.178 4.162 4.340 0.001 0.000 0.234 746 R C 2.184 178.482 176.300 -0.002 0.000 1.134 746 R CA 2.005 58.105 56.100 0.000 0.000 0.952 746 R CB -0.337 29.966 30.300 0.004 0.000 0.850 746 R HN 0.500 nan 8.270 nan 0.000 0.433 747 N N 0.495 119.193 118.700 -0.005 0.000 2.322 747 N HA -0.171 4.570 4.740 0.001 0.000 0.189 747 N C 1.484 176.989 175.510 -0.010 0.000 1.012 747 N CA 1.342 54.388 53.050 -0.007 0.000 0.880 747 N CB -0.147 38.333 38.487 -0.012 0.000 0.967 747 N HN 0.343 nan 8.380 nan 0.000 0.439 748 I N -0.716 119.847 120.570 -0.011 0.000 2.394 748 I HA -0.095 4.076 4.170 0.001 0.000 0.251 748 I C 1.168 177.284 176.117 -0.003 0.000 1.136 748 I CA 0.671 61.966 61.300 -0.010 0.000 1.425 748 I CB -0.582 37.411 38.000 -0.012 0.000 1.079 748 I HN 0.195 nan 8.210 nan 0.000 0.425 749 G N 1.807 110.606 108.800 -0.001 0.000 2.324 749 G HA2 -0.257 3.704 3.960 0.001 0.000 0.292 749 G HA3 -0.257 3.704 3.960 0.001 0.000 0.292 749 G C 0.145 175.048 174.900 0.004 0.000 1.079 749 G CA 0.476 45.577 45.100 0.002 0.000 1.026 749 G HN 0.395 nan 8.290 nan 0.000 0.506 750 S N -0.709 114.994 115.700 0.005 0.000 2.640 750 S HA 0.528 4.998 4.470 0.001 0.000 0.320 750 S C 1.407 176.012 174.600 0.008 0.000 1.097 750 S CA -0.473 57.732 58.200 0.009 0.000 1.092 750 S CB 0.712 63.919 63.200 0.012 0.000 0.988 750 S HN 0.379 nan 8.310 nan 0.000 0.470 751 K N 2.989 123.393 120.400 0.007 0.000 2.442 751 K HA -0.003 4.318 4.320 0.001 0.000 0.198 751 K C 0.916 177.520 176.600 0.006 0.000 1.044 751 K CA 0.627 56.918 56.287 0.006 0.000 0.948 751 K CB -0.050 32.453 32.500 0.005 0.000 0.762 751 K HN 0.534 nan 8.250 nan 0.000 0.472 752 N N 1.141 119.846 118.700 0.008 0.000 2.521 752 N HA -0.057 4.684 4.740 0.001 0.000 0.188 752 N C 1.314 176.829 175.510 0.008 0.000 1.146 752 N CA 0.861 53.915 53.050 0.007 0.000 0.893 752 N CB 0.221 38.715 38.487 0.011 0.000 0.975 752 N HN 0.359 nan 8.380 nan 0.000 0.451 753 I N -3.258 117.317 120.570 0.009 0.000 4.338 753 I HA 0.217 4.388 4.170 0.001 0.000 0.329 753 I C 1.654 177.777 176.117 0.010 0.000 1.378 753 I CA -0.214 61.091 61.300 0.009 0.000 1.170 753 I CB -0.093 37.911 38.000 0.007 0.000 1.206 753 I HN -0.177 nan 8.210 nan 0.000 0.432 754 S N 1.311 117.017 115.700 0.010 0.000 2.387 754 S HA -0.257 4.214 4.470 0.001 0.000 0.230 754 S C 1.909 176.518 174.600 0.015 0.000 1.035 754 S CA 1.862 60.068 58.200 0.010 0.000 1.014 754 S CB -0.635 62.570 63.200 0.009 0.000 0.836 754 S HN 0.535 nan 8.310 nan 0.000 0.466 755 M N 2.839 122.450 119.600 0.018 0.000 2.156 755 M HA 0.218 4.699 4.480 0.001 0.000 0.264 755 M C 2.126 178.445 176.300 0.031 0.000 1.067 755 M CA 1.569 56.886 55.300 0.028 0.000 1.131 755 M CB -1.300 31.321 32.600 0.034 0.000 1.368 755 M HN 0.356 nan 8.290 nan 0.000 0.416 756 G N 0.008 108.825 108.800 0.027 0.000 2.422 756 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 756 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 756 G C 1.437 176.350 174.900 0.023 0.000 1.146 756 G CA 1.091 46.208 45.100 0.028 0.000 0.769 756 G HN 0.479 nan 8.290 nan 0.000 0.547 757 L N 1.287 122.520 121.223 0.017 0.000 2.056 757 L HA 0.190 4.530 4.340 0.001 0.000 0.207 757 L C 3.062 179.942 176.870 0.015 0.000 1.078 757 L CA 2.083 56.932 54.840 0.014 0.000 0.749 757 L CB -0.685 41.380 42.059 0.010 0.000 0.901 757 L HN 0.224 nan 8.230 nan 0.000 0.433 758 A N -0.388 122.442 122.820 0.017 0.000 1.883 758 A HA -0.255 4.066 4.320 0.001 0.000 0.217 758 A C 2.323 179.918 177.584 0.017 0.000 1.186 758 A CA 2.148 54.195 52.037 0.016 0.000 0.624 758 A CB -0.551 18.460 19.000 0.018 0.000 0.822 758 A HN 0.520 nan 8.150 nan 0.000 0.444 759 K N -0.847 119.568 120.400 0.024 0.000 2.097 759 K HA -0.077 4.244 4.320 0.001 0.000 0.206 759 K C 2.135 178.750 176.600 0.025 0.000 1.049 759 K CA 1.020 57.323 56.287 0.027 0.000 0.933 759 K CB -0.448 32.075 32.500 0.037 0.000 0.717 759 K HN 0.471 nan 8.250 nan 0.000 0.442 760 G N 1.639 110.455 108.800 0.026 0.000 2.418 760 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 760 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 760 G C 1.510 176.422 174.900 0.020 0.000 1.158 760 G CA 0.680 45.796 45.100 0.028 0.000 0.771 760 G HN 0.142 nan 8.290 nan 0.000 0.545 761 I N 0.394 120.972 120.570 0.013 0.000 2.361 761 I HA -0.120 4.050 4.170 0.001 0.000 0.251 761 I C 2.619 178.737 176.117 0.001 0.000 1.133 761 I CA 1.342 62.645 61.300 0.006 0.000 1.413 761 I CB -0.137 37.865 38.000 0.004 0.000 1.073 761 I HN 0.310 nan 8.210 nan 0.000 0.424 762 E N 0.798 120.999 120.200 0.001 0.000 2.047 762 E HA -0.233 4.118 4.350 0.001 0.000 0.191 762 E C 2.343 178.938 176.600 -0.008 0.000 0.987 762 E CA 1.125 57.520 56.400 -0.008 0.000 0.799 762 E CB 0.078 29.773 29.700 -0.009 0.000 0.752 762 E HN 0.226 nan 8.360 nan 0.000 0.449 763 M N 0.829 120.433 119.600 0.007 0.000 2.296 763 M HA -0.092 4.389 4.480 0.001 0.000 0.265 763 M C 2.243 178.556 176.300 0.022 0.000 1.064 763 M CA 0.936 56.247 55.300 0.019 0.000 1.109 763 M CB -0.665 31.965 32.600 0.049 0.000 1.396 763 M HN 0.318 nan 8.290 nan 0.000 0.430 764 L N -0.217 121.014 121.223 0.014 0.000 1.994 764 L HA -0.189 4.152 4.340 0.001 0.000 0.208 764 L C 2.337 179.200 176.870 -0.012 0.000 1.071 764 L CA 1.631 56.472 54.840 0.002 0.000 0.745 764 L CB -0.493 41.564 42.059 -0.004 0.000 0.892 764 L HN 0.263 nan 8.230 nan 0.000 0.431 765 A N -0.812 121.998 122.820 -0.016 0.000 1.978 765 A HA -0.177 4.143 4.320 0.001 0.000 0.220 765 A C 2.161 179.726 177.584 -0.031 0.000 1.170 765 A CA 1.896 53.918 52.037 -0.025 0.000 0.636 765 A CB -0.789 18.195 19.000 -0.027 0.000 0.810 765 A HN 0.368 nan 8.150 nan 0.000 0.448 766 V N 0.647 120.543 119.914 -0.029 0.000 2.379 766 V HA -0.208 3.913 4.120 0.001 0.000 0.245 766 V C 2.228 178.303 176.094 -0.031 0.000 1.044 766 V CA 2.021 64.298 62.300 -0.039 0.000 1.036 766 V CB -0.866 30.931 31.823 -0.044 0.000 0.664 766 V HN 0.545 nan 8.190 nan 0.000 0.453 767 N N 0.255 118.949 118.700 -0.010 0.000 2.188 767 N HA -0.098 4.643 4.740 0.001 0.000 0.184 767 N C 1.967 177.461 175.510 -0.027 0.000 1.018 767 N CA 1.109 54.154 53.050 -0.009 0.000 0.858 767 N CB -0.333 38.153 38.487 -0.001 0.000 0.989 767 N HN 0.437 nan 8.380 nan 0.000 0.426 768 R N 0.949 121.432 120.500 -0.030 0.000 2.096 768 R HA 0.006 4.347 4.340 0.001 0.000 0.235 768 R C 1.852 178.135 176.300 -0.029 0.000 1.127 768 R CA 1.102 57.182 56.100 -0.033 0.000 0.968 768 R CB 0.007 30.285 30.300 -0.035 0.000 0.861 768 R HN 0.265 nan 8.270 nan 0.000 0.440 769 K N 0.192 120.573 120.400 -0.032 0.000 2.155 769 K HA -0.093 4.227 4.320 0.001 0.000 0.203 769 K C 1.941 178.525 176.600 -0.027 0.000 1.052 769 K CA 0.629 56.897 56.287 -0.032 0.000 0.948 769 K CB -0.063 32.411 32.500 -0.042 0.000 0.728 769 K HN 0.038 nan 8.250 nan 0.000 0.448 770 L N 0.764 121.969 121.223 -0.030 0.000 2.044 770 L HA -0.100 4.241 4.340 0.001 0.000 0.205 770 L C 1.938 178.812 176.870 0.006 0.000 1.075 770 L CA 1.464 56.291 54.840 -0.023 0.000 0.747 770 L CB -0.392 41.638 42.059 -0.048 0.000 0.903 770 L HN -0.149 nan 8.230 nan 0.000 0.435 771 V N 0.110 120.024 119.914 0.000 0.000 2.392 771 V HA -0.269 3.852 4.120 0.001 0.000 0.249 771 V C 2.704 178.807 176.094 0.015 0.000 1.059 771 V CA 1.869 64.177 62.300 0.014 0.000 1.051 771 V CB -0.619 31.198 31.823 -0.009 0.000 0.658 771 V HN 0.592 nan 8.190 nan 0.000 0.455 772 E N 0.525 120.726 120.200 0.001 0.000 2.072 772 E HA -0.184 4.167 4.350 0.001 0.000 0.191 772 E C 2.328 178.933 176.600 0.009 0.000 0.985 772 E CA 1.400 57.800 56.400 -0.000 0.000 0.801 772 E CB -0.222 29.472 29.700 -0.011 0.000 0.750 772 E HN 0.487 nan 8.360 nan 0.000 0.452 773 R N -0.142 120.365 120.500 0.013 0.000 2.115 773 R HA -0.011 4.330 4.340 0.001 0.000 0.230 773 R C 2.470 178.796 176.300 0.044 0.000 1.111 773 R CA 1.299 57.413 56.100 0.022 0.000 0.976 773 R CB -0.344 29.968 30.300 0.020 0.000 0.870 773 R HN 0.300 nan 8.270 nan 0.000 0.445 774 I N 0.398 121.006 120.570 0.063 0.000 2.142 774 I HA -0.264 3.906 4.170 0.001 0.000 0.240 774 I C 2.540 178.687 176.117 0.050 0.000 1.078 774 I CA 1.171 62.524 61.300 0.088 0.000 1.343 774 I CB -0.241 37.838 38.000 0.132 0.000 1.046 774 I HN 0.074 nan 8.210 nan 0.000 0.405 775 R N 0.677 121.200 120.500 0.037 0.000 2.377 775 R HA -0.178 4.162 4.340 0.001 0.000 0.207 775 R C 1.744 178.054 176.300 0.015 0.000 1.075 775 R CA 0.729 56.842 56.100 0.023 0.000 1.035 775 R CB 0.023 30.333 30.300 0.016 0.000 0.857 775 R HN 0.283 nan 8.270 nan 0.000 0.475 776 Q N -1.019 118.791 119.800 0.018 0.000 2.360 776 Q HA 0.022 4.363 4.340 0.001 0.000 0.202 776 Q C 0.476 176.483 176.000 0.012 0.000 0.915 776 Q CA 1.127 56.937 55.803 0.012 0.000 0.943 776 Q CB 0.871 29.617 28.738 0.012 0.000 1.064 776 Q HN 0.432 nan 8.270 nan 0.000 0.511 777 T N -6.396 108.166 114.554 0.014 0.000 3.266 777 T HA 0.258 4.609 4.350 0.001 0.000 0.264 777 T C 1.617 176.315 174.700 -0.003 0.000 0.839 777 T CA 0.149 62.254 62.100 0.007 0.000 0.828 777 T CB -0.870 68.007 68.868 0.014 0.000 1.255 777 T HN 0.038 nan 8.240 nan 0.000 0.652 778 A N 2.030 124.848 122.820 -0.004 0.000 1.927 778 A HA -0.067 4.254 4.320 0.001 0.000 0.220 778 A C 2.369 179.939 177.584 -0.023 0.000 1.185 778 A CA 2.390 54.410 52.037 -0.028 0.000 0.639 778 A CB -1.321 17.672 19.000 -0.012 0.000 0.820 778 A HN 0.460 nan 8.150 nan 0.000 0.451 779 V N -1.207 118.702 119.914 -0.008 0.000 2.287 779 V HA -0.127 3.993 4.120 0.001 0.000 0.248 779 V C 1.190 177.279 176.094 -0.009 0.000 1.053 779 V CA 2.280 64.576 62.300 -0.006 0.000 1.027 779 V CB -0.755 31.067 31.823 -0.001 0.000 0.646 779 V HN 0.633 nan 8.190 nan 0.000 0.447 780 K N 0.000 120.395 120.400 -0.008 0.000 2.780 780 K HA 0.000 4.321 4.320 0.001 0.000 0.191 780 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 780 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 780 K HN 0.000 nan 8.250 nan 0.000 0.543