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 3muu_1_C DATA FIRST_RESID 5 DATA SEQUENCE DFTLTSPYLG TcSYcHHTVP cFSPVKIEQV WDEADDNTIR IQTSAQFGYD DATA SEQUENCE QSGAASANKY RYXSLKQDHT VKEGTXDDIK ISTSGPcRRL SYKGYFLLAK DATA SEQUENCE cPPGDSVTVS IVSSNSATSc TLARKIKPKF VGREKYDLPP VHGKKIPcTV DATA SEQUENCE YDRLXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE LHLPFKLIPS TcXVPVAHAP NVIHGFKHIS LQLDTDHLTL LTTRRLGANP DATA SEQUENCE EPTTEWIVGK TVRNFTVDRD GLEYIWGNHE PVRVYAQXXX XXXXXXXXXX DATA SEQUENCE XXXXXGYEHA TTVPNVPQIP YKALVERAGY APLNLEITVX SSEVLPSTNQ DATA SEQUENCE EYITcKFTTV VPSPKIKccG SLEcQPAAHA GYTcKVFGGV YPFXWGGAQc DATA SEQUENCE FcDSENSQXS EAYVELSADc ASDHAQAIKV HTAAXKVGLR IVYGNTTSFL DATA SEQUENCE DVYVNGVTPG TSKDLKVIAG PISASFTPFD HKVVIHRGLV YNYDFPEYGA DATA SEQUENCE XKPGAFGDIQ ATSLTSKDLI ASTDIRLLKP SAKNVHVPYT QASSGFEXWK DATA SEQUENCE NNSGRPLQET APFGcKIAVN PLRAVDcSYG NIPISIDIPN AAFIRTSDAP DATA SEQUENCE LVSTVKcEVS EcTYSADFGG XATLQYVSDR EGQcPVHSHS STATLQESTV DATA SEQUENCE HVLEKGAVTV HFSTASPQAN FIVSLcGKKT TcNAEc 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.479 176.300 0.299 0.000 2.045 5 D CA 0.000 54.102 54.000 0.170 0.000 0.868 5 D CB 0.000 40.840 40.800 0.066 0.000 0.688 6 F N 1.414 121.424 119.950 0.100 0.000 2.541 6 F HA 0.729 5.256 4.527 0.000 0.000 0.331 6 F C 0.398 176.159 175.800 -0.065 0.000 1.057 6 F CA -0.796 57.230 58.000 0.045 0.000 0.975 6 F CB 1.248 40.262 39.000 0.023 0.000 1.246 6 F HN -0.001 nan 8.300 nan 0.000 0.484 7 T N -0.284 114.184 114.554 -0.144 0.000 2.943 7 T HA 0.538 4.888 4.350 0.001 0.000 0.284 7 T C 0.114 174.755 174.700 -0.098 0.000 1.015 7 T CA -0.665 61.267 62.100 -0.280 0.000 1.042 7 T CB 1.705 70.240 68.868 -0.556 0.000 1.055 7 T HN 0.860 nan 8.240 nan 0.000 0.500 8 L N -1.171 119.997 121.223 -0.091 0.000 2.858 8 L HA 0.533 4.873 4.340 0.001 0.000 0.251 8 L C 0.601 177.461 176.870 -0.017 0.000 1.149 8 L CA -0.465 54.361 54.840 -0.023 0.000 0.955 8 L CB -0.166 41.877 42.059 -0.027 0.000 1.289 8 L HN 0.781 nan 8.230 nan 0.000 0.542 9 T N -0.046 114.497 114.554 -0.017 0.000 2.903 9 T HA 0.773 5.124 4.350 0.001 0.000 0.299 9 T C -0.567 174.161 174.700 0.048 0.000 1.093 9 T CA 0.089 62.211 62.100 0.037 0.000 1.002 9 T CB 1.589 70.510 68.868 0.089 0.000 1.127 9 T HN 0.375 nan 8.240 nan 0.000 0.488 10 S N 3.168 118.920 115.700 0.086 0.000 2.638 10 S HA 0.825 5.295 4.470 0.001 0.000 0.302 10 S C -3.065 171.645 174.600 0.183 0.000 1.096 10 S CA -1.638 56.596 58.200 0.058 0.000 0.953 10 S CB 1.175 64.376 63.200 0.003 0.000 1.107 10 S HN 0.542 nan 8.310 nan 0.000 0.503 11 P HA 0.246 nan 4.420 nan 0.000 0.268 11 P C -0.914 176.533 177.300 0.244 0.000 1.204 11 P CA -0.086 63.112 63.100 0.163 0.000 0.768 11 P CB -0.125 31.587 31.700 0.019 0.000 0.842 12 Y N 1.020 121.386 120.300 0.110 0.000 2.730 12 Y HA 0.780 5.330 4.550 0.001 0.000 0.325 12 Y C -0.943 174.969 175.900 0.021 0.000 1.132 12 Y CA -1.552 56.581 58.100 0.054 0.000 1.206 12 Y CB 0.854 39.336 38.460 0.036 0.000 1.390 12 Y HN 0.041 nan 8.280 nan 0.000 0.555 13 L N 1.109 122.305 121.223 -0.046 0.000 2.346 13 L HA 0.814 5.154 4.340 0.001 0.000 0.274 13 L C -0.108 176.512 176.870 -0.416 0.000 1.007 13 L CA -0.905 53.774 54.840 -0.268 0.000 0.818 13 L CB 2.089 44.063 42.059 -0.141 0.000 1.284 13 L HN 0.988 nan 8.230 nan 0.000 0.424 14 G N -0.382 108.084 108.800 -0.556 0.000 2.667 14 G HA2 0.514 4.475 3.960 0.001 0.000 0.298 14 G HA3 0.514 4.475 3.960 0.001 0.000 0.298 14 G C -0.677 173.946 174.900 -0.461 0.000 1.377 14 G CA -0.522 44.311 45.100 -0.444 0.000 0.964 14 G HN 0.483 nan 8.290 nan 0.000 0.493 15 T N -1.397 112.979 114.554 -0.296 0.000 2.867 15 T HA 0.366 4.716 4.350 0.001 0.000 0.297 15 T C 0.290 174.972 174.700 -0.030 0.000 0.989 15 T CA -0.420 61.645 62.100 -0.059 0.000 1.159 15 T CB 0.724 69.662 68.868 0.117 0.000 0.928 15 T HN 0.667 nan 8.240 nan 0.000 0.538 16 c N 2.969 121.566 118.600 -0.004 0.000 2.595 16 c HA 0.711 5.281 4.570 0.001 0.000 0.338 16 c C 1.641 175.752 174.090 0.035 0.000 1.219 16 c CA -0.086 56.251 56.329 0.012 0.000 1.811 16 c CB 1.404 43.922 42.510 0.013 0.000 2.313 16 c HN 1.085 nan 8.230 nan 0.000 0.499 17 S N 0.277 116.007 115.700 0.050 0.000 2.512 17 S HA 0.208 4.679 4.470 0.001 0.000 0.216 17 S C -0.316 174.360 174.600 0.125 0.000 1.006 17 S CA 0.057 58.293 58.200 0.060 0.000 0.915 17 S CB -0.012 63.214 63.200 0.043 0.000 0.824 17 S HN 0.823 nan 8.310 nan 0.000 0.497 18 Y N 0.532 120.827 120.300 -0.009 0.000 2.330 18 Y HA 0.454 5.005 4.550 0.001 0.000 0.324 18 Y C -1.683 174.209 175.900 -0.013 0.000 1.093 18 Y CA -1.116 56.980 58.100 -0.007 0.000 1.103 18 Y CB 1.238 39.683 38.460 -0.024 0.000 1.183 18 Y HN 0.120 nan 8.280 nan 0.000 0.433 19 c N 7.053 125.626 118.600 -0.044 0.000 3.328 19 c HA 0.337 4.907 4.570 0.001 0.000 0.230 19 c C 0.576 174.664 174.090 -0.003 0.000 1.232 19 c CA -0.467 55.889 56.329 0.045 0.000 1.431 19 c CB -0.988 41.568 42.510 0.075 0.000 1.818 19 c HN 1.178 nan 8.230 nan 0.000 0.484 20 H N 0.192 119.210 119.070 -0.086 0.000 4.807 20 H HA -0.160 4.396 4.556 0.001 0.000 0.103 20 H C 0.342 175.309 175.328 -0.602 0.000 0.622 20 H CA 2.338 58.225 56.048 -0.270 0.000 1.203 20 H CB -0.856 28.691 29.762 -0.359 0.000 0.637 20 H HN 0.759 nan 8.280 nan 0.000 0.601 21 H N 0.019 119.003 119.070 -0.144 0.000 2.529 21 H HA 0.203 4.759 4.556 0.001 0.000 0.348 21 H C 1.549 176.526 175.328 -0.585 0.000 1.079 21 H CA 0.442 56.336 56.048 -0.256 0.000 1.198 21 H CB 1.485 31.170 29.762 -0.129 0.000 1.521 21 H HN 0.226 nan 8.280 nan 0.000 0.514 22 T N -0.441 113.777 114.554 -0.560 0.000 2.946 22 T HA -0.085 4.265 4.350 0.001 0.000 0.270 22 T C 1.022 175.525 174.700 -0.328 0.000 1.129 22 T CA 0.365 62.045 62.100 -0.700 0.000 1.103 22 T CB -0.606 68.148 68.868 -0.189 0.000 0.839 22 T HN 0.198 nan 8.240 nan 0.000 0.544 23 V N 3.370 123.173 119.914 -0.186 0.000 2.555 23 V HA 0.258 4.378 4.120 0.001 0.000 0.286 23 V C -2.037 174.023 176.094 -0.057 0.000 1.044 23 V CA -2.055 60.194 62.300 -0.084 0.000 1.026 23 V CB 0.551 32.340 31.823 -0.057 0.000 0.981 23 V HN 0.234 nan 8.190 nan 0.000 0.480 24 P HA 0.175 nan 4.420 nan 0.000 0.265 24 P C -0.206 177.114 177.300 0.034 0.000 1.193 24 P CA 0.021 63.129 63.100 0.013 0.000 0.765 24 P CB 0.373 32.079 31.700 0.009 0.000 0.823 25 c N 1.941 120.580 118.600 0.066 0.000 3.327 25 c HA 0.706 5.277 4.570 0.001 0.000 0.366 25 c C -0.508 173.697 174.090 0.192 0.000 2.438 25 c CA -0.748 55.648 56.329 0.111 0.000 1.438 25 c CB 0.512 43.084 42.510 0.103 0.000 2.876 25 c HN 0.419 nan 8.230 nan 0.000 0.483 26 F N 2.406 122.367 119.950 0.019 0.000 2.566 26 F HA 0.489 5.017 4.527 0.001 0.000 0.352 26 F C 0.424 176.244 175.800 0.033 0.000 1.534 26 F CA 0.071 58.086 58.000 0.025 0.000 1.097 26 F CB 0.264 39.277 39.000 0.020 0.000 1.488 26 F HN 0.943 nan 8.300 nan 0.000 0.562 27 S N 1.522 117.204 115.700 -0.031 0.000 2.722 27 S HA 0.759 5.230 4.470 0.001 0.000 0.292 27 S C -2.766 171.775 174.600 -0.099 0.000 1.135 27 S CA -1.501 56.695 58.200 -0.007 0.000 1.003 27 S CB 1.945 65.170 63.200 0.041 0.000 1.067 27 S HN 0.168 nan 8.310 nan 0.000 0.546 28 P HA 0.189 nan 4.420 nan 0.000 0.293 28 P C 0.225 177.471 177.300 -0.090 0.000 1.298 28 P CA -0.167 62.892 63.100 -0.069 0.000 0.757 28 P CB -0.068 31.695 31.700 0.104 0.000 1.262 29 V N -4.305 115.544 119.914 -0.109 0.000 4.112 29 V HA -0.214 3.907 4.120 0.001 0.000 0.233 29 V C 0.932 176.975 176.094 -0.086 0.000 0.458 29 V CA 1.204 63.458 62.300 -0.077 0.000 0.909 29 V CB -2.151 29.645 31.823 -0.046 0.000 0.963 29 V HN 0.729 nan 8.190 nan 0.000 1.260 30 K N 1.484 121.790 120.400 -0.157 0.000 2.416 30 K HA 0.282 4.603 4.320 0.001 0.000 0.283 30 K C 0.002 176.557 176.600 -0.074 0.000 1.037 30 K CA -0.208 56.001 56.287 -0.130 0.000 0.995 30 K CB 0.511 32.891 32.500 -0.201 0.000 0.938 30 K HN 0.610 nan 8.250 nan 0.000 0.475 31 I N 5.474 126.024 120.570 -0.033 0.000 2.337 31 I HA 0.022 4.193 4.170 0.001 0.000 0.291 31 I C 1.457 177.574 176.117 0.001 0.000 1.046 31 I CA -0.116 61.179 61.300 -0.008 0.000 1.324 31 I CB 0.938 38.932 38.000 -0.010 0.000 1.409 31 I HN 0.598 nan 8.210 nan 0.000 0.494 32 E N 4.718 124.927 120.200 0.017 0.000 2.132 32 E HA 0.133 4.484 4.350 0.001 0.000 0.193 32 E C 0.304 176.893 176.600 -0.019 0.000 0.951 32 E CA 0.620 57.038 56.400 0.030 0.000 0.843 32 E CB 0.619 30.363 29.700 0.072 0.000 0.807 32 E HN 0.660 nan 8.360 nan 0.000 0.467 33 Q N -0.278 119.486 119.800 -0.059 0.000 2.626 33 Q HA 0.564 4.904 4.340 0.001 0.000 0.300 33 Q C -1.444 174.377 176.000 -0.299 0.000 0.988 33 Q CA -0.648 54.991 55.803 -0.273 0.000 0.761 33 Q CB 3.244 31.677 28.738 -0.509 0.000 1.494 33 Q HN -0.120 nan 8.270 nan 0.000 0.439 34 V N 0.229 119.803 119.914 -0.568 0.000 3.048 34 V HA 0.477 4.597 4.120 0.001 0.000 0.303 34 V C -1.730 174.112 176.094 -0.420 0.000 1.214 34 V CA -0.696 61.448 62.300 -0.259 0.000 0.984 34 V CB 2.501 34.270 31.823 -0.090 0.000 1.054 34 V HN 0.643 nan 8.190 nan 0.000 0.430 35 W N 2.112 123.450 121.300 0.063 0.000 2.600 35 W HA 0.502 5.162 4.660 0.001 0.000 0.325 35 W C -0.847 175.750 176.519 0.129 0.000 1.034 35 W CA -0.439 56.970 57.345 0.107 0.000 1.226 35 W CB 2.059 31.609 29.460 0.151 0.000 1.379 35 W HN 0.594 nan 8.180 nan 0.000 0.466 36 D N 2.111 122.692 120.400 0.302 0.000 2.513 36 D HA 0.209 4.850 4.640 0.001 0.000 0.295 36 D C 0.309 176.741 176.300 0.220 0.000 1.202 36 D CA 0.154 54.288 54.000 0.225 0.000 0.849 36 D CB 0.511 41.367 40.800 0.094 0.000 1.116 36 D HN 0.401 nan 8.370 nan 0.000 0.502 37 E N -0.043 120.342 120.200 0.309 0.000 2.568 37 E HA 0.301 4.651 4.350 0.001 0.000 0.220 37 E C 0.567 177.206 176.600 0.065 0.000 0.869 37 E CA -0.379 56.136 56.400 0.192 0.000 1.268 37 E CB 0.867 30.722 29.700 0.258 0.000 1.252 37 E HN 0.312 nan 8.360 nan 0.000 0.606 38 A N 1.608 124.439 122.820 0.019 0.000 2.466 38 A HA -0.010 4.311 4.320 0.001 0.000 0.238 38 A C 0.455 178.025 177.584 -0.023 0.000 1.074 38 A CA 0.094 52.056 52.037 -0.125 0.000 0.774 38 A CB 0.214 19.130 19.000 -0.140 0.000 1.015 38 A HN -0.019 nan 8.150 nan 0.000 0.498 39 D N 0.012 120.393 120.400 -0.033 0.000 2.194 39 D HA -0.028 4.612 4.640 0.001 0.000 0.204 39 D C 0.503 176.819 176.300 0.026 0.000 0.964 39 D CA 0.893 54.890 54.000 -0.006 0.000 0.846 39 D CB -0.194 40.609 40.800 0.006 0.000 0.962 39 D HN 0.685 nan 8.370 nan 0.000 0.490 40 D N 0.370 120.788 120.400 0.031 0.000 2.362 40 D HA -0.086 4.555 4.640 0.001 0.000 0.238 40 D C 0.398 176.742 176.300 0.073 0.000 1.212 40 D CA -0.049 53.991 54.000 0.066 0.000 0.902 40 D CB 0.476 41.309 40.800 0.055 0.000 1.180 40 D HN -0.258 nan 8.370 nan 0.000 0.445 41 N N 0.510 119.258 118.700 0.079 0.000 2.484 41 N HA 0.049 4.790 4.740 0.001 0.000 0.245 41 N C -0.937 174.619 175.510 0.076 0.000 1.184 41 N CA -0.186 52.901 53.050 0.062 0.000 0.884 41 N CB -0.284 38.229 38.487 0.044 0.000 1.182 41 N HN 0.353 nan 8.380 nan 0.000 0.493 42 T N -2.191 112.439 114.554 0.126 0.000 2.943 42 T HA 0.673 5.023 4.350 0.001 0.000 0.284 42 T C 0.055 174.864 174.700 0.182 0.000 1.015 42 T CA -0.727 61.458 62.100 0.143 0.000 1.042 42 T CB 1.730 70.712 68.868 0.189 0.000 1.055 42 T HN -0.059 nan 8.240 nan 0.000 0.500 43 I N 0.491 121.088 120.570 0.046 0.000 2.647 43 I HA 0.515 4.685 4.170 0.001 0.000 0.295 43 I C -0.117 175.901 176.117 -0.164 0.000 1.078 43 I CA -0.856 60.441 61.300 -0.005 0.000 1.048 43 I CB 2.424 40.435 38.000 0.018 0.000 1.239 43 I HN 0.624 nan 8.210 nan 0.000 0.421 44 R N 6.098 126.503 120.500 -0.158 0.000 2.343 44 R HA 0.754 5.094 4.340 0.001 0.000 0.320 44 R C -1.538 174.957 176.300 0.324 0.000 0.956 44 R CA -0.426 55.656 56.100 -0.030 0.000 0.836 44 R CB 0.922 31.094 30.300 -0.214 0.000 1.151 44 R HN 0.628 nan 8.270 nan 0.000 0.450 45 I N 3.387 124.150 120.570 0.321 0.000 2.474 45 I HA 0.230 4.400 4.170 0.001 0.000 0.294 45 I C -0.397 175.948 176.117 0.380 0.000 1.005 45 I CA -0.710 60.773 61.300 0.306 0.000 1.113 45 I CB 2.123 40.225 38.000 0.169 0.000 1.289 45 I HN 0.546 nan 8.210 nan 0.000 0.436 46 Q N 5.856 125.828 119.800 0.287 0.000 2.425 46 Q HA 0.367 4.707 4.340 0.001 0.000 0.254 46 Q C -0.558 175.451 176.000 0.014 0.000 1.032 46 Q CA -0.587 55.243 55.803 0.044 0.000 0.798 46 Q CB 1.238 30.060 28.738 0.140 0.000 1.210 46 Q HN 0.831 nan 8.270 nan 0.000 0.491 47 T N -0.853 113.720 114.554 0.031 0.000 2.893 47 T HA 0.353 4.703 4.350 0.001 0.000 0.279 47 T C 0.995 175.721 174.700 0.043 0.000 0.991 47 T CA -0.010 62.116 62.100 0.044 0.000 0.950 47 T CB 1.269 70.200 68.868 0.105 0.000 1.223 47 T HN 0.477 nan 8.240 nan 0.000 0.585 48 S N -1.095 114.549 115.700 -0.094 0.000 2.524 48 S HA 0.484 4.954 4.470 0.001 0.000 0.215 48 S C 0.784 175.320 174.600 -0.106 0.000 0.986 48 S CA -0.239 57.784 58.200 -0.295 0.000 0.911 48 S CB -0.397 62.220 63.200 -0.972 0.000 0.805 48 S HN 1.087 nan 8.310 nan 0.000 0.501 49 A N 1.282 123.992 122.820 -0.184 0.000 2.303 49 A HA 0.654 4.974 4.320 0.001 0.000 0.317 49 A C -0.209 176.916 177.584 -0.766 0.000 1.149 49 A CA -0.700 51.135 52.037 -0.336 0.000 0.822 49 A CB 0.698 19.527 19.000 -0.286 0.000 1.131 49 A HN 0.501 nan 8.150 nan 0.000 0.493 50 Q N 0.399 119.807 119.800 -0.652 0.000 2.243 50 Q HA 0.558 4.899 4.340 0.001 0.000 0.252 50 Q C -1.526 174.186 176.000 -0.480 0.000 0.909 50 Q CA 0.152 55.560 55.803 -0.658 0.000 0.922 50 Q CB 1.405 29.918 28.738 -0.375 0.000 1.215 50 Q HN 0.656 nan 8.270 nan 0.000 0.427 51 F N -0.977 119.032 119.950 0.098 0.000 2.556 51 F HA 0.551 5.078 4.527 0.001 0.000 0.327 51 F C 1.160 176.850 175.800 -0.183 0.000 1.059 51 F CA -0.469 57.543 58.000 0.021 0.000 0.953 51 F CB 1.992 40.965 39.000 -0.044 0.000 1.227 51 F HN 0.749 nan 8.300 nan 0.000 0.478 52 G N 0.617 109.362 108.800 -0.092 0.000 2.176 52 G HA2 -0.269 3.691 3.960 0.001 0.000 0.253 52 G HA3 -0.269 3.691 3.960 0.001 0.000 0.253 52 G C -0.784 173.681 174.900 -0.724 0.000 0.979 52 G CA -0.248 44.578 45.100 -0.456 0.000 0.641 52 G HN 0.614 nan 8.290 nan 0.000 0.530 53 Y N 0.345 120.696 120.300 0.085 0.000 2.553 53 Y HA 0.558 5.108 4.550 0.001 0.000 0.347 53 Y C 0.714 176.623 175.900 0.016 0.000 1.019 53 Y CA -0.778 57.351 58.100 0.048 0.000 1.032 53 Y CB 1.329 39.808 38.460 0.031 0.000 1.284 53 Y HN 0.119 nan 8.280 nan 0.000 0.466 54 D N -0.276 120.219 120.400 0.158 0.000 2.502 54 D HA -0.024 4.616 4.640 0.001 0.000 0.271 54 D C 1.116 177.442 176.300 0.042 0.000 1.228 54 D CA 0.724 54.760 54.000 0.060 0.000 1.032 54 D CB -0.200 40.623 40.800 0.039 0.000 0.925 54 D HN 0.461 nan 8.370 nan 0.000 0.248 55 Q N 0.009 119.825 119.800 0.028 0.000 2.062 55 Q HA 0.136 4.476 4.340 0.001 0.000 0.196 55 Q C 0.926 176.937 176.000 0.018 0.000 0.967 55 Q CA 0.707 56.516 55.803 0.010 0.000 0.832 55 Q CB -0.034 28.704 28.738 0.001 0.000 0.899 55 Q HN 0.283 nan 8.270 nan 0.000 0.442 56 S N -0.619 115.102 115.700 0.035 0.000 2.738 56 S HA 0.485 4.955 4.470 0.001 0.000 0.284 56 S C 0.385 175.021 174.600 0.060 0.000 1.146 56 S CA -0.465 57.755 58.200 0.032 0.000 0.997 56 S CB 1.263 64.482 63.200 0.031 0.000 1.081 56 S HN 0.359 nan 8.310 nan 0.000 0.553 57 G N 0.391 109.200 108.800 0.015 0.000 3.008 57 G HA2 0.481 4.441 3.960 0.001 0.000 0.272 57 G HA3 0.481 4.441 3.960 0.001 0.000 0.272 57 G C 0.126 175.149 174.900 0.206 0.000 0.764 57 G CA 0.003 45.060 45.100 -0.071 0.000 2.029 57 G HN 0.738 nan 8.290 nan 0.000 0.587 58 A N 1.344 124.385 122.820 0.368 0.000 3.444 58 A HA 0.918 5.238 4.320 0.001 0.000 0.189 58 A C 0.689 178.483 177.584 0.350 0.000 1.542 58 A CA -0.011 52.210 52.037 0.306 0.000 0.867 58 A CB 0.802 19.904 19.000 0.169 0.000 1.712 58 A HN 1.293 nan 8.150 nan 0.000 0.556 59 A N 0.842 123.772 122.820 0.182 0.000 3.165 59 A HA 0.554 4.874 4.320 0.001 0.000 0.331 59 A C -0.021 177.593 177.584 0.050 0.000 1.034 59 A CA 0.128 52.230 52.037 0.108 0.000 0.906 59 A CB -0.731 18.336 19.000 0.111 0.000 1.054 59 A HN 1.192 nan 8.150 nan 0.000 0.484 60 S N 0.547 116.257 115.700 0.016 0.000 2.434 60 S HA 0.501 4.971 4.470 0.001 0.000 0.318 60 S C 1.152 175.747 174.600 -0.008 0.000 1.062 60 S CA -0.006 58.200 58.200 0.011 0.000 1.116 60 S CB 1.344 64.556 63.200 0.020 0.000 0.977 60 S HN 0.993 nan 8.310 nan 0.000 0.480 61 A N 2.928 125.763 122.820 0.024 0.000 2.032 61 A HA -0.148 4.172 4.320 0.001 0.000 0.221 61 A C 1.440 179.079 177.584 0.092 0.000 1.165 61 A CA 1.791 53.863 52.037 0.058 0.000 0.645 61 A CB -0.575 18.462 19.000 0.063 0.000 0.807 61 A HN 0.773 nan 8.150 nan 0.000 0.453 62 N N -0.566 118.169 118.700 0.057 0.000 2.642 62 N HA 0.190 4.931 4.740 0.001 0.000 0.308 62 N C -1.312 174.217 175.510 0.032 0.000 1.914 62 N CA -0.215 52.867 53.050 0.053 0.000 0.893 62 N CB 0.179 38.705 38.487 0.065 0.000 1.322 62 N HN 0.063 nan 8.380 nan 0.000 0.490 63 K N 0.963 121.378 120.400 0.024 0.000 2.527 63 K HA 0.283 4.604 4.320 0.001 0.000 0.260 63 K C -1.394 175.269 176.600 0.106 0.000 0.937 63 K CA -0.591 55.714 56.287 0.030 0.000 0.826 63 K CB 1.784 34.277 32.500 -0.011 0.000 1.359 63 K HN 0.233 nan 8.250 nan 0.000 0.434 64 Y N -0.928 119.401 120.300 0.050 0.000 2.662 64 Y HA 0.765 5.315 4.550 0.001 0.000 0.335 64 Y C -0.424 175.542 175.900 0.110 0.000 1.066 64 Y CA -1.271 56.887 58.100 0.097 0.000 1.116 64 Y CB 1.508 40.087 38.460 0.198 0.000 1.308 64 Y HN 0.596 nan 8.280 nan 0.000 0.502 65 R N 0.590 121.205 120.500 0.191 0.000 2.739 65 R HA 0.734 5.075 4.340 0.001 0.000 0.271 65 R C -2.030 174.468 176.300 0.329 0.000 1.010 65 R CA -0.835 55.376 56.100 0.184 0.000 0.897 65 R CB 2.380 32.719 30.300 0.066 0.000 1.236 65 R HN 0.979 nan 8.270 nan 0.000 0.466 69 L N 1.459 122.733 121.223 0.085 0.000 2.141 69 L HA 0.025 4.366 4.340 0.001 0.000 0.209 69 L C 1.622 178.543 176.870 0.086 0.000 1.094 69 L CA 1.966 56.876 54.840 0.116 0.000 0.763 69 L CB -0.630 41.494 42.059 0.108 0.000 0.908 69 L HN 0.666 nan 8.230 nan 0.000 0.437 70 K N -0.980 119.453 120.400 0.055 0.000 3.383 70 K HA 0.008 4.329 4.320 0.001 0.000 0.164 70 K C 0.779 177.411 176.600 0.054 0.000 1.145 70 K CA 0.168 56.479 56.287 0.040 0.000 1.507 70 K CB 0.331 32.839 32.500 0.013 0.000 2.086 70 K HN 0.028 nan 8.250 nan 0.000 0.502 71 Q N 0.036 119.850 119.800 0.024 0.000 1.820 71 Q HA 0.017 4.358 4.340 0.001 0.000 0.179 71 Q C -0.927 175.041 176.000 -0.053 0.000 0.798 71 Q CA 0.162 55.983 55.803 0.030 0.000 0.887 71 Q CB 0.844 29.599 28.738 0.029 0.000 1.240 71 Q HN 0.502 nan 8.270 nan 0.000 0.394 72 D N -0.074 120.302 120.400 -0.039 0.000 2.379 72 D HA -0.072 4.568 4.640 0.001 0.000 0.243 72 D C -0.031 176.268 176.300 -0.001 0.000 1.088 72 D CA 0.340 54.299 54.000 -0.067 0.000 0.925 72 D CB 0.008 40.791 40.800 -0.029 0.000 0.888 72 D HN 0.193 nan 8.370 nan 0.000 0.529 73 H N -1.646 117.426 119.070 0.003 0.000 3.179 73 H HA -0.154 4.403 4.556 0.001 0.000 0.250 73 H C -0.335 174.976 175.328 -0.030 0.000 1.142 73 H CA 0.913 56.960 56.048 -0.001 0.000 1.165 73 H CB -2.747 27.021 29.762 0.009 0.000 1.253 73 H HN 0.235 nan 8.280 nan 0.000 0.325 74 T N 0.030 114.621 114.554 0.062 0.000 2.754 74 T HA 0.340 4.691 4.350 0.001 0.000 0.282 74 T C 1.060 175.705 174.700 -0.091 0.000 0.923 74 T CA -0.081 62.010 62.100 -0.016 0.000 1.164 74 T CB 1.022 69.867 68.868 -0.039 0.000 0.873 74 T HN 0.128 nan 8.240 nan 0.000 0.537 75 V N 5.215 125.077 119.914 -0.088 0.000 2.096 75 V HA 0.130 4.250 4.120 0.001 0.000 0.259 75 V C 1.111 177.097 176.094 -0.180 0.000 1.420 75 V CA -0.878 61.333 62.300 -0.148 0.000 1.336 75 V CB -1.317 30.459 31.823 -0.078 0.000 1.394 75 V HN 0.820 nan 8.190 nan 0.000 0.494 76 K N 2.123 122.344 120.400 -0.298 0.000 2.120 76 K HA 0.518 4.838 4.320 0.001 0.000 0.245 76 K C -0.089 176.442 176.600 -0.115 0.000 1.024 76 K CA -0.596 55.573 56.287 -0.197 0.000 0.906 76 K CB 1.665 34.072 32.500 -0.154 0.000 1.051 76 K HN 0.558 nan 8.250 nan 0.000 0.491 77 E N 0.000 120.197 120.200 -0.005 0.000 2.336 77 E HA 0.520 4.870 4.350 0.001 0.000 0.267 77 E C -0.995 175.503 176.600 -0.169 0.000 0.906 77 E CA -1.092 55.266 56.400 -0.070 0.000 0.781 77 E CB 2.077 31.718 29.700 -0.098 0.000 1.261 77 E HN 0.800 nan 8.360 nan 0.000 0.436 78 G N 0.287 108.697 108.800 -0.651 0.000 3.022 78 G HA2 0.417 4.377 3.960 0.001 0.000 0.284 78 G HA3 0.417 4.377 3.960 0.001 0.000 0.284 78 G C -0.896 173.721 174.900 -0.472 0.000 1.375 78 G CA -0.252 44.512 45.100 -0.560 0.000 0.902 78 G HN 0.489 nan 8.290 nan 0.000 0.538 82 D N 0.598 121.018 120.400 0.032 0.000 2.388 82 D HA 0.281 4.921 4.640 0.001 0.000 0.221 82 D C 0.137 176.385 176.300 -0.085 0.000 1.133 82 D CA 0.039 54.039 54.000 0.002 0.000 0.831 82 D CB 0.929 41.759 40.800 0.050 0.000 0.962 82 D HN 0.383 nan 8.370 nan 0.000 0.502 83 I N 1.381 121.848 120.570 -0.171 0.000 2.312 83 I HA 0.204 4.374 4.170 0.001 0.000 0.290 83 I C 0.242 176.259 176.117 -0.167 0.000 1.008 83 I CA -0.329 60.819 61.300 -0.253 0.000 1.226 83 I CB 0.969 38.706 38.000 -0.437 0.000 1.371 83 I HN -0.471 nan 8.210 nan 0.000 0.468 84 K N 7.118 127.445 120.400 -0.122 0.000 2.371 84 K HA 0.657 4.978 4.320 0.001 0.000 0.251 84 K C -0.903 175.648 176.600 -0.081 0.000 0.934 84 K CA -0.811 55.425 56.287 -0.085 0.000 0.798 84 K CB 3.134 35.600 32.500 -0.056 0.000 1.204 84 K HN 0.442 nan 8.250 nan 0.000 0.427 85 I N 1.149 121.677 120.570 -0.069 0.000 2.676 85 I HA 0.329 4.500 4.170 0.001 0.000 0.309 85 I C 0.117 176.199 176.117 -0.058 0.000 0.990 85 I CA -0.498 60.765 61.300 -0.062 0.000 1.168 85 I CB 1.907 39.875 38.000 -0.053 0.000 1.343 85 I HN 0.718 nan 8.210 nan 0.000 0.482 86 S N 0.751 116.413 115.700 -0.063 0.000 2.543 86 S HA 0.477 4.948 4.470 0.001 0.000 0.274 86 S C -0.294 174.264 174.600 -0.071 0.000 1.149 86 S CA -0.188 57.974 58.200 -0.063 0.000 0.866 86 S CB 1.872 65.030 63.200 -0.069 0.000 1.111 86 S HN 0.772 nan 8.310 nan 0.000 0.457 87 T N -1.743 112.772 114.554 -0.066 0.000 3.397 87 T HA 0.373 4.723 4.350 0.001 0.000 0.233 87 T C 1.206 175.858 174.700 -0.080 0.000 0.969 87 T CA 0.781 62.837 62.100 -0.073 0.000 1.316 87 T CB -0.304 68.531 68.868 -0.056 0.000 1.175 87 T HN 1.076 nan 8.240 nan 0.000 0.381 88 S N 0.640 116.303 115.700 -0.063 0.000 2.937 88 S HA 0.653 5.123 4.470 0.001 0.000 0.252 88 S C 0.300 174.872 174.600 -0.047 0.000 1.022 88 S CA 0.197 58.361 58.200 -0.060 0.000 1.079 88 S CB -0.106 63.061 63.200 -0.055 0.000 1.035 88 S HN 1.078 nan 8.310 nan 0.000 0.594 89 G N 1.348 110.121 108.800 -0.044 0.000 2.578 89 G HA2 0.528 4.489 3.960 0.001 0.000 0.302 89 G HA3 0.528 4.489 3.960 0.001 0.000 0.302 89 G C -3.379 171.500 174.900 -0.035 0.000 1.243 89 G CA -0.700 44.379 45.100 -0.035 0.000 0.843 89 G HN 0.199 nan 8.290 nan 0.000 0.486 90 P HA 0.528 nan 4.420 nan 0.000 0.272 90 P C -0.769 176.513 177.300 -0.030 0.000 1.240 90 P CA -0.252 62.832 63.100 -0.027 0.000 0.791 90 P CB 0.949 32.637 31.700 -0.021 0.000 0.978 91 c N 1.418 119.999 118.600 -0.032 0.000 2.701 91 c HA 0.422 4.993 4.570 0.001 0.000 0.336 91 c C -0.673 173.396 174.090 -0.035 0.000 1.123 91 c CA -0.661 55.648 56.329 -0.034 0.000 1.326 91 c CB 1.567 44.053 42.510 -0.039 0.000 1.833 91 c HN 0.461 nan 8.230 nan 0.000 0.473 92 R N 3.009 123.488 120.500 -0.035 0.000 2.265 92 R HA 0.407 4.748 4.340 0.001 0.000 0.328 92 R C 0.327 176.594 176.300 -0.055 0.000 0.969 92 R CA -0.414 55.663 56.100 -0.038 0.000 0.832 92 R CB 0.938 31.218 30.300 -0.033 0.000 1.139 92 R HN 0.837 nan 8.270 nan 0.000 0.457 93 R N 2.170 122.636 120.500 -0.057 0.000 2.822 93 R HA 0.151 4.491 4.340 0.001 0.000 0.277 93 R C 0.127 176.341 176.300 -0.144 0.000 1.102 93 R CA -0.467 55.578 56.100 -0.092 0.000 1.207 93 R CB 0.523 30.798 30.300 -0.043 0.000 1.139 93 R HN 0.428 nan 8.270 nan 0.000 0.557 94 L N -0.695 120.392 121.223 -0.228 0.000 2.688 94 L HA 0.159 4.499 4.340 0.001 0.000 0.216 94 L C -0.041 176.597 176.870 -0.387 0.000 1.036 94 L CA 1.084 55.770 54.840 -0.256 0.000 0.906 94 L CB -0.032 41.898 42.059 -0.214 0.000 1.501 94 L HN 0.946 nan 8.230 nan 0.000 0.489 95 S N -1.168 114.265 115.700 -0.445 0.000 2.569 95 S HA 0.671 5.142 4.470 0.001 0.000 0.280 95 S C -1.504 172.962 174.600 -0.223 0.000 1.111 95 S CA -0.534 57.423 58.200 -0.404 0.000 0.887 95 S CB 1.868 64.990 63.200 -0.129 0.000 1.095 95 S HN 0.088 nan 8.310 nan 0.000 0.476 96 Y N 0.329 120.737 120.300 0.180 0.000 2.335 96 Y HA 0.735 5.285 4.550 0.001 0.000 0.338 96 Y C 0.236 176.349 175.900 0.355 0.000 0.977 96 Y CA -1.283 56.940 58.100 0.204 0.000 1.114 96 Y CB 1.603 40.089 38.460 0.042 0.000 1.182 96 Y HN 0.717 nan 8.280 nan 0.000 0.463 97 K N 2.054 122.812 120.400 0.596 0.000 3.022 97 K HA 0.500 4.821 4.320 0.001 0.000 0.178 97 K C 0.734 177.604 176.600 0.449 0.000 1.089 97 K CA 0.284 56.748 56.287 0.295 0.000 0.916 97 K CB 0.156 32.470 32.500 -0.311 0.000 1.159 97 K HN 0.863 nan 8.250 nan 0.000 0.592 98 G N 1.268 110.340 108.800 0.454 0.000 3.729 98 G HA2 -0.423 3.538 3.960 0.001 0.000 0.327 98 G HA3 -0.423 3.538 3.960 0.001 0.000 0.327 98 G C 0.785 175.777 174.900 0.153 0.000 1.293 98 G CA 0.789 46.109 45.100 0.368 0.000 1.011 98 G HN 0.452 nan 8.290 nan 0.000 0.673 99 Y N 1.039 121.509 120.300 0.283 0.000 2.482 99 Y HA 0.544 5.094 4.550 0.001 0.000 0.270 99 Y C 1.103 177.040 175.900 0.062 0.000 1.152 99 Y CA 0.130 58.247 58.100 0.028 0.000 1.292 99 Y CB 0.226 38.615 38.460 -0.119 0.000 1.070 99 Y HN 0.216 nan 8.280 nan 0.000 0.528 100 F N 0.155 120.412 119.950 0.512 0.000 2.458 100 F HA 0.535 5.062 4.527 0.001 0.000 0.330 100 F C -0.175 175.970 175.800 0.575 0.000 1.082 100 F CA -1.029 57.271 58.000 0.500 0.000 0.995 100 F CB 1.181 40.404 39.000 0.373 0.000 1.170 100 F HN -0.383 nan 8.300 nan 0.000 0.478 101 L N 2.860 124.435 121.223 0.587 0.000 2.303 101 L HA 0.707 5.048 4.340 0.001 0.000 0.266 101 L C -1.278 175.674 176.870 0.136 0.000 1.011 101 L CA -1.200 53.818 54.840 0.298 0.000 0.818 101 L CB 2.517 44.653 42.059 0.128 0.000 1.326 101 L HN 0.537 nan 8.230 nan 0.000 0.435 102 L N 1.613 122.755 121.223 -0.134 0.000 2.580 102 L HA 0.763 5.104 4.340 0.001 0.000 0.266 102 L C -1.204 175.521 176.870 -0.242 0.000 0.955 102 L CA 0.055 54.694 54.840 -0.334 0.000 0.886 102 L CB 1.535 43.050 42.059 -0.907 0.000 1.263 102 L HN 0.761 nan 8.230 nan 0.000 0.406 103 A N 4.179 126.911 122.820 -0.147 0.000 2.569 103 A HA 0.731 5.051 4.320 0.001 0.000 0.290 103 A C -1.546 176.003 177.584 -0.059 0.000 1.136 103 A CA -0.789 51.189 52.037 -0.099 0.000 0.710 103 A CB 1.967 20.925 19.000 -0.069 0.000 1.303 103 A HN 0.555 nan 8.150 nan 0.000 0.413 104 K N 0.261 120.637 120.400 -0.041 0.000 2.265 104 K HA 0.572 4.893 4.320 0.001 0.000 0.267 104 K C -1.443 175.148 176.600 -0.016 0.000 0.994 104 K CA -0.253 56.025 56.287 -0.014 0.000 0.860 104 K CB 1.151 33.648 32.500 -0.006 0.000 1.099 104 K HN 0.706 nan 8.250 nan 0.000 0.448 105 c N 3.699 122.293 118.600 -0.010 0.000 2.719 105 c HA 0.488 5.058 4.570 0.001 0.000 0.327 105 c C -1.427 172.654 174.090 -0.015 0.000 1.238 105 c CA -1.468 54.850 56.329 -0.017 0.000 1.727 105 c CB 1.552 44.048 42.510 -0.022 0.000 2.256 105 c HN 0.700 nan 8.230 nan 0.000 0.489 106 P HA 0.164 nan 4.420 nan 0.000 0.200 106 P C -1.588 175.696 177.300 -0.027 0.000 1.204 106 P CA 1.123 64.210 63.100 -0.022 0.000 0.886 106 P CB -0.988 30.698 31.700 -0.024 0.000 0.718 107 P HA 0.079 nan 4.420 nan 0.000 0.203 107 P C 0.435 177.713 177.300 -0.037 0.000 1.211 107 P CA 1.630 64.708 63.100 -0.036 0.000 0.913 107 P CB -0.490 31.186 31.700 -0.039 0.000 0.745 108 G N -0.299 108.476 108.800 -0.041 0.000 2.511 108 G HA2 -0.080 3.880 3.960 0.001 0.000 0.205 108 G HA3 -0.080 3.880 3.960 0.001 0.000 0.205 108 G C 0.034 174.905 174.900 -0.048 0.000 1.098 108 G CA 0.084 45.159 45.100 -0.042 0.000 0.812 108 G HN 0.262 nan 8.290 nan 0.000 0.497 109 D N -0.002 120.364 120.400 -0.057 0.000 2.338 109 D HA 0.234 4.875 4.640 0.001 0.000 0.224 109 D C 1.719 177.974 176.300 -0.075 0.000 0.967 109 D CA 1.718 55.680 54.000 -0.063 0.000 0.896 109 D CB 0.650 41.411 40.800 -0.064 0.000 1.028 109 D HN 0.806 nan 8.370 nan 0.000 0.493 110 S N -1.366 114.281 115.700 -0.089 0.000 2.705 110 S HA 0.680 5.151 4.470 0.001 0.000 0.280 110 S C -1.156 173.386 174.600 -0.097 0.000 1.174 110 S CA -0.752 57.386 58.200 -0.103 0.000 0.823 110 S CB 1.979 65.090 63.200 -0.149 0.000 1.162 110 S HN -0.190 nan 8.310 nan 0.000 0.487 111 V N 1.156 121.012 119.914 -0.097 0.000 2.638 111 V HA 0.684 4.804 4.120 0.001 0.000 0.306 111 V C -0.853 175.185 176.094 -0.094 0.000 1.052 111 V CA -0.421 61.831 62.300 -0.081 0.000 0.885 111 V CB 1.795 33.587 31.823 -0.052 0.000 0.999 111 V HN 1.035 nan 8.190 nan 0.000 0.424 112 T N 3.915 118.411 114.554 -0.098 0.000 2.864 112 T HA 0.539 4.889 4.350 0.001 0.000 0.299 112 T C -0.509 174.140 174.700 -0.086 0.000 1.011 112 T CA -0.398 61.636 62.100 -0.110 0.000 0.975 112 T CB 1.460 70.235 68.868 -0.154 0.000 0.962 112 T HN 0.349 nan 8.240 nan 0.000 0.448 113 V N 3.892 123.766 119.914 -0.067 0.000 2.398 113 V HA 0.799 4.919 4.120 0.001 0.000 0.286 113 V C 0.116 176.167 176.094 -0.071 0.000 1.026 113 V CA -0.647 61.620 62.300 -0.055 0.000 0.868 113 V CB 1.291 33.106 31.823 -0.014 0.000 0.982 113 V HN 1.064 nan 8.190 nan 0.000 0.443 114 S N 4.641 120.290 115.700 -0.086 0.000 2.607 114 S HA 0.793 5.263 4.470 0.001 0.000 0.273 114 S C -1.058 173.486 174.600 -0.092 0.000 1.148 114 S CA -0.920 57.229 58.200 -0.084 0.000 0.833 114 S CB 1.988 65.121 63.200 -0.112 0.000 1.130 114 S HN 0.457 nan 8.310 nan 0.000 0.470 115 I N 1.717 122.244 120.570 -0.072 0.000 2.362 115 I HA 0.405 4.576 4.170 0.001 0.000 0.289 115 I C -0.184 175.927 176.117 -0.010 0.000 0.994 115 I CA -1.188 60.053 61.300 -0.098 0.000 1.158 115 I CB 1.978 39.879 38.000 -0.165 0.000 1.315 115 I HN 0.644 nan 8.210 nan 0.000 0.451 116 V N 1.827 121.736 119.914 -0.007 0.000 2.776 116 V HA 0.262 4.382 4.120 0.001 0.000 0.332 116 V C 0.726 176.832 176.094 0.019 0.000 1.201 116 V CA -0.228 62.086 62.300 0.023 0.000 1.401 116 V CB 0.083 31.921 31.823 0.025 0.000 1.552 116 V HN 0.821 nan 8.190 nan 0.000 0.605 117 S N 2.512 118.227 115.700 0.025 0.000 2.110 117 S HA 0.025 4.496 4.470 0.001 0.000 0.152 117 S C 1.423 176.043 174.600 0.033 0.000 1.404 117 S CA 0.969 59.194 58.200 0.042 0.000 2.390 117 S CB -0.069 63.169 63.200 0.063 0.000 0.276 117 S HN 1.167 nan 8.310 nan 0.000 0.349 118 S N 1.287 117.009 115.700 0.037 0.000 3.812 118 S HA 0.380 4.851 4.470 0.001 0.000 0.195 118 S C 0.138 174.751 174.600 0.022 0.000 1.460 118 S CA -0.245 57.973 58.200 0.029 0.000 1.052 118 S CB -0.714 62.506 63.200 0.033 0.000 1.385 118 S HN 0.654 nan 8.310 nan 0.000 0.490 119 N N 0.201 118.908 118.700 0.012 0.000 2.825 119 N HA -0.182 4.558 4.740 0.001 0.000 0.206 119 N C -0.156 175.347 175.510 -0.011 0.000 1.057 119 N CA 1.884 54.933 53.050 -0.002 0.000 1.343 119 N CB -1.958 36.529 38.487 0.001 0.000 0.942 119 N HN 0.808 nan 8.380 nan 0.000 0.562 120 S N 0.395 116.100 115.700 0.009 0.000 2.465 120 S HA 0.631 5.101 4.470 0.001 0.000 0.280 120 S C 0.279 174.882 174.600 0.005 0.000 1.232 120 S CA -0.046 58.163 58.200 0.014 0.000 1.066 120 S CB 1.647 64.878 63.200 0.051 0.000 0.929 120 S HN 0.579 nan 8.310 nan 0.000 0.494 121 A N 3.849 126.646 122.820 -0.038 0.000 2.360 121 A HA 0.626 4.946 4.320 0.001 0.000 0.309 121 A C 0.298 177.952 177.584 0.117 0.000 1.311 121 A CA -0.877 51.145 52.037 -0.025 0.000 0.805 121 A CB 0.298 19.140 19.000 -0.263 0.000 1.144 121 A HN 0.798 nan 8.150 nan 0.000 0.486 122 T N 0.363 115.018 114.554 0.167 0.000 2.867 122 T HA 0.743 5.093 4.350 0.001 0.000 0.282 122 T C -0.043 174.746 174.700 0.148 0.000 1.000 122 T CA -0.368 61.844 62.100 0.187 0.000 1.042 122 T CB 1.352 70.284 68.868 0.106 0.000 0.973 122 T HN 1.351 nan 8.240 nan 0.000 0.465 123 S N 0.700 116.452 115.700 0.086 0.000 2.652 123 S HA 0.431 4.902 4.470 0.001 0.000 0.273 123 S C -0.543 174.047 174.600 -0.017 0.000 1.172 123 S CA -1.056 57.108 58.200 -0.061 0.000 1.009 123 S CB 0.547 63.549 63.200 -0.329 0.000 1.094 123 S HN 1.088 nan 8.310 nan 0.000 0.471 124 c N 3.716 122.308 118.600 -0.014 0.000 2.405 124 c HA 0.920 5.490 4.570 0.001 0.000 0.365 124 c C 0.601 174.685 174.090 -0.010 0.000 1.233 124 c CA 0.626 56.960 56.329 0.010 0.000 2.230 124 c CB 0.435 42.938 42.510 -0.012 0.000 2.443 124 c HN 1.178 nan 8.230 nan 0.000 0.556 125 T N 5.031 119.592 114.554 0.011 0.000 2.909 125 T HA 0.625 4.975 4.350 0.001 0.000 0.299 125 T C -1.277 173.392 174.700 -0.051 0.000 1.073 125 T CA -0.628 61.433 62.100 -0.064 0.000 0.999 125 T CB 1.421 70.172 68.868 -0.195 0.000 1.098 125 T HN 0.836 nan 8.240 nan 0.000 0.477 126 L N 3.191 124.371 121.223 -0.071 0.000 2.342 126 L HA 0.873 5.214 4.340 0.001 0.000 0.271 126 L C 0.291 177.119 176.870 -0.071 0.000 1.008 126 L CA -0.613 54.195 54.840 -0.054 0.000 0.818 126 L CB 1.670 43.702 42.059 -0.045 0.000 1.296 126 L HN 0.916 nan 8.230 nan 0.000 0.427 127 A N 4.985 127.771 122.820 -0.056 0.000 3.135 127 A HA 0.367 4.688 4.320 0.001 0.000 0.253 127 A C 0.377 177.926 177.584 -0.058 0.000 1.638 127 A CA -0.296 51.706 52.037 -0.059 0.000 1.295 127 A CB -0.769 18.204 19.000 -0.044 0.000 1.106 127 A HN 0.654 nan 8.150 nan 0.000 0.648 128 R N 0.440 120.902 120.500 -0.063 0.000 2.668 128 R HA 0.461 4.801 4.340 0.001 0.000 0.279 128 R C -0.728 175.538 176.300 -0.056 0.000 0.976 128 R CA -0.591 55.473 56.100 -0.061 0.000 0.978 128 R CB 1.079 31.338 30.300 -0.068 0.000 1.133 128 R HN 0.361 nan 8.270 nan 0.000 0.484 129 K N 4.264 124.633 120.400 -0.051 0.000 2.316 129 K HA 0.332 4.653 4.320 0.001 0.000 0.267 129 K C -0.744 175.833 176.600 -0.039 0.000 1.025 129 K CA -0.422 55.837 56.287 -0.046 0.000 0.896 129 K CB 0.712 33.186 32.500 -0.044 0.000 1.124 129 K HN 0.442 nan 8.250 nan 0.000 0.451 130 I N 3.426 123.975 120.570 -0.035 0.000 2.440 130 I HA 0.297 4.468 4.170 0.001 0.000 0.294 130 I C -0.110 175.988 176.117 -0.032 0.000 0.995 130 I CA -0.709 60.576 61.300 -0.025 0.000 1.306 130 I CB 1.443 39.433 38.000 -0.017 0.000 1.407 130 I HN 0.386 nan 8.210 nan 0.000 0.501 131 K N 4.974 125.355 120.400 -0.032 0.000 2.267 131 K HA 0.508 4.829 4.320 0.001 0.000 0.246 131 K C -2.589 173.986 176.600 -0.042 0.000 0.954 131 K CA -1.737 54.523 56.287 -0.044 0.000 0.824 131 K CB 1.145 33.611 32.500 -0.057 0.000 1.167 131 K HN 0.244 nan 8.250 nan 0.000 0.431 132 P HA 0.028 nan 4.420 nan 0.000 0.265 132 P C -1.288 175.982 177.300 -0.049 0.000 1.222 132 P CA 0.019 63.094 63.100 -0.042 0.000 0.767 132 P CB 0.342 32.019 31.700 -0.039 0.000 0.801 133 K N 3.938 124.306 120.400 -0.053 0.000 2.293 133 K HA 0.480 4.800 4.320 0.001 0.000 0.267 133 K C -0.547 175.998 176.600 -0.091 0.000 1.010 133 K CA -0.618 55.618 56.287 -0.085 0.000 0.875 133 K CB 0.909 33.377 32.500 -0.053 0.000 1.106 133 K HN 0.428 nan 8.250 nan 0.000 0.450 134 F N 0.642 120.438 119.950 -0.256 0.000 2.539 134 F HA 0.343 4.870 4.527 0.001 0.000 0.318 134 F C 0.344 176.096 175.800 -0.079 0.000 1.135 134 F CA -1.120 56.642 58.000 -0.397 0.000 0.915 134 F CB 0.842 39.375 39.000 -0.778 0.000 1.176 134 F HN 0.227 nan 8.300 nan 0.000 0.440 135 V N 4.388 124.379 119.914 0.129 0.000 2.302 135 V HA 0.194 4.315 4.120 0.001 0.000 0.243 135 V C 1.607 177.785 176.094 0.141 0.000 1.036 135 V CA 1.813 64.155 62.300 0.069 0.000 1.020 135 V CB -0.730 31.178 31.823 0.142 0.000 0.657 135 V HN 1.102 nan 8.190 nan 0.000 0.453 136 G N -0.234 108.828 108.800 0.437 0.000 2.597 136 G HA2 -0.030 3.930 3.960 0.001 0.000 0.283 136 G HA3 -0.030 3.930 3.960 0.001 0.000 0.283 136 G C 0.556 175.688 174.900 0.387 0.000 1.319 136 G CA -0.148 45.167 45.100 0.358 0.000 1.054 136 G HN 0.519 nan 8.290 nan 0.000 0.583 137 R N -0.254 120.396 120.500 0.249 0.000 2.334 137 R HA 0.116 4.456 4.340 0.001 0.000 0.220 137 R C -0.053 176.366 176.300 0.199 0.000 0.917 137 R CA 0.259 56.459 56.100 0.167 0.000 1.073 137 R CB 0.392 30.622 30.300 -0.117 0.000 1.056 137 R HN 0.529 nan 8.270 nan 0.000 0.506 138 E N 1.526 121.931 120.200 0.342 0.000 2.191 138 E HA 0.137 4.488 4.350 0.001 0.000 0.263 138 E C -1.113 175.436 176.600 -0.085 0.000 0.881 138 E CA -0.809 55.672 56.400 0.135 0.000 0.757 138 E CB 2.088 31.742 29.700 -0.077 0.000 1.147 138 E HN -0.199 nan 8.360 nan 0.000 0.414 139 K N 3.409 123.495 120.400 -0.525 0.000 2.416 139 K HA 0.060 4.381 4.320 0.001 0.000 0.283 139 K C -1.401 174.845 176.600 -0.590 0.000 1.037 139 K CA 0.277 55.788 56.287 -1.295 0.000 0.995 139 K CB 0.084 32.107 32.500 -0.794 0.000 0.938 139 K HN 0.431 nan 8.250 nan 0.000 0.475 140 Y N 0.425 120.375 120.300 -0.583 0.000 2.588 140 Y HA 0.469 5.019 4.550 0.001 0.000 0.343 140 Y C -0.553 175.262 175.900 -0.142 0.000 1.065 140 Y CA -1.133 56.801 58.100 -0.277 0.000 1.038 140 Y CB 1.576 39.921 38.460 -0.191 0.000 1.297 140 Y HN 0.497 nan 8.280 nan 0.000 0.467 141 D N 1.664 122.072 120.400 0.013 0.000 2.433 141 D HA 0.302 4.942 4.640 0.001 0.000 0.211 141 D C -0.597 175.759 176.300 0.093 0.000 1.114 141 D CA 0.597 54.586 54.000 -0.019 0.000 0.837 141 D CB 1.156 41.941 40.800 -0.025 0.000 0.984 141 D HN 0.505 nan 8.370 nan 0.000 0.505 142 L N 0.884 122.246 121.223 0.232 0.000 2.549 142 L HA 0.299 4.639 4.340 0.001 0.000 0.259 142 L C -2.678 174.319 176.870 0.211 0.000 0.934 142 L CA -1.829 53.133 54.840 0.203 0.000 0.865 142 L CB 3.014 45.132 42.059 0.098 0.000 1.352 142 L HN -0.354 nan 8.230 nan 0.000 0.410 143 P HA 0.135 nan 4.420 nan 0.000 0.263 143 P C -2.433 174.837 177.300 -0.051 0.000 1.195 143 P CA -0.608 62.449 63.100 -0.071 0.000 0.762 143 P CB -0.178 31.508 31.700 -0.024 0.000 0.799 144 P HA 0.022 nan 4.420 nan 0.000 0.271 144 P C 0.861 178.148 177.300 -0.021 0.000 1.218 144 P CA -0.175 62.960 63.100 0.059 0.000 0.780 144 P CB 0.526 32.297 31.700 0.119 0.000 0.901 145 V N 0.824 120.645 119.914 -0.155 0.000 2.720 145 V HA -0.167 3.953 4.120 0.001 0.000 0.256 145 V C 1.310 177.194 176.094 -0.350 0.000 1.082 145 V CA 1.583 63.675 62.300 -0.347 0.000 1.101 145 V CB -1.413 30.070 31.823 -0.566 0.000 0.693 145 V HN 0.615 nan 8.190 nan 0.000 0.479 146 H N -0.367 118.684 119.070 -0.033 0.000 3.209 146 H HA 0.615 5.172 4.556 0.001 0.000 0.225 146 H C 0.941 176.243 175.328 -0.044 0.000 1.599 146 H CA -0.094 55.939 56.048 -0.026 0.000 1.691 146 H CB 0.148 29.905 29.762 -0.009 0.000 1.473 146 H HN 0.264 nan 8.280 nan 0.000 0.981 147 G N 0.308 109.185 108.800 0.128 0.000 2.796 147 G HA2 -0.254 3.706 3.960 0.001 0.000 0.226 147 G HA3 -0.254 3.706 3.960 0.001 0.000 0.226 147 G C -0.390 174.507 174.900 -0.006 0.000 1.381 147 G CA -0.015 45.106 45.100 0.034 0.000 0.867 147 G HN 0.660 nan 8.290 nan 0.000 0.552 148 K N -0.025 120.359 120.400 -0.027 0.000 2.090 148 K HA 0.494 4.814 4.320 0.001 0.000 0.250 148 K C 0.283 176.861 176.600 -0.036 0.000 1.004 148 K CA -0.488 55.782 56.287 -0.028 0.000 0.919 148 K CB 0.454 32.939 32.500 -0.025 0.000 1.045 148 K HN 0.463 nan 8.250 nan 0.000 0.471 149 K N 2.226 122.610 120.400 -0.026 0.000 2.185 149 K HA 0.387 4.707 4.320 0.001 0.000 0.269 149 K C -0.903 175.689 176.600 -0.013 0.000 0.987 149 K CA -0.671 55.602 56.287 -0.023 0.000 0.865 149 K CB 1.133 33.622 32.500 -0.018 0.000 1.090 149 K HN 0.299 nan 8.250 nan 0.000 0.450 150 I N 3.579 124.144 120.570 -0.008 0.000 2.828 150 I HA 0.305 4.475 4.170 0.001 0.000 0.302 150 I C -2.481 173.642 176.117 0.011 0.000 1.101 150 I CA -2.631 58.672 61.300 0.005 0.000 1.031 150 I CB 1.916 39.925 38.000 0.015 0.000 1.231 150 I HN 0.387 nan 8.210 nan 0.000 0.427 151 P HA 0.243 nan 4.420 nan 0.000 0.271 151 P C -1.205 176.110 177.300 0.024 0.000 1.220 151 P CA -0.240 62.870 63.100 0.018 0.000 0.768 151 P CB 0.286 31.999 31.700 0.022 0.000 0.848 152 c N 0.510 119.121 118.600 0.018 0.000 3.321 152 c HA 0.872 5.443 4.570 0.001 0.000 0.329 152 c C -0.206 173.884 174.090 -0.000 0.000 1.394 152 c CA -0.616 55.724 56.329 0.018 0.000 1.291 152 c CB 1.383 43.909 42.510 0.027 0.000 1.606 152 c HN 0.619 nan 8.230 nan 0.000 0.463 153 T N -0.784 113.761 114.554 -0.015 0.000 2.940 153 T HA 0.833 5.183 4.350 0.001 0.000 0.288 153 T C -0.655 173.986 174.700 -0.099 0.000 1.033 153 T CA -0.452 61.616 62.100 -0.053 0.000 1.033 153 T CB 1.531 70.364 68.868 -0.059 0.000 1.079 153 T HN 2.414 nan 8.240 nan 0.000 0.496 154 V N 1.092 120.916 119.914 -0.149 0.000 3.264 154 V HA 0.472 4.593 4.120 0.001 0.000 0.294 154 V C -1.940 174.021 176.094 -0.222 0.000 1.429 154 V CA -1.290 60.897 62.300 -0.190 0.000 1.053 154 V CB 1.816 33.608 31.823 -0.051 0.000 1.128 154 V HN 1.001 nan 8.190 nan 0.000 0.452 155 Y N 2.255 122.561 120.300 0.010 0.000 2.346 155 Y HA 0.352 4.903 4.550 0.001 0.000 0.330 155 Y C 0.914 176.817 175.900 0.005 0.000 1.178 155 Y CA 0.170 58.275 58.100 0.008 0.000 1.331 155 Y CB 0.480 38.929 38.460 -0.018 0.000 1.253 155 Y HN 0.664 nan 8.280 nan 0.000 0.529 156 D N 1.242 121.770 120.400 0.214 0.000 2.369 156 D HA 0.129 4.770 4.640 0.001 0.000 0.241 156 D C 0.207 176.607 176.300 0.166 0.000 1.271 156 D CA 0.233 54.327 54.000 0.158 0.000 0.942 156 D CB 0.539 41.431 40.800 0.153 0.000 1.129 156 D HN 0.544 nan 8.370 nan 0.000 0.476 157 R N -0.574 120.003 120.500 0.129 0.000 2.637 157 R HA 0.462 4.802 4.340 0.001 0.000 0.446 157 R C -0.049 176.327 176.300 0.126 0.000 1.024 157 R CA -0.113 56.048 56.100 0.102 0.000 1.080 157 R CB 0.260 30.558 30.300 -0.003 0.000 1.421 157 R HN 0.207 nan 8.270 nan 0.000 0.593 256 H N 4.210 123.260 119.070 -0.034 0.000 3.157 256 H HA 0.321 4.878 4.556 0.001 0.000 0.260 256 H C -0.049 175.210 175.328 -0.114 0.000 1.232 256 H CA -0.080 55.919 56.048 -0.081 0.000 1.488 256 H CB 0.691 30.413 29.762 -0.067 0.000 1.548 256 H HN 0.218 nan 8.280 nan 0.000 0.487 257 L N 3.246 124.415 121.223 -0.091 0.000 3.515 257 L HA 0.207 4.547 4.340 0.001 0.000 0.322 257 L C -1.979 174.559 176.870 -0.553 0.000 1.225 257 L CA -0.631 54.090 54.840 -0.198 0.000 1.104 257 L CB -0.179 41.850 42.059 -0.048 0.000 1.506 257 L HN 0.368 nan 8.230 nan 0.000 0.624 258 P HA 0.256 nan 4.420 nan 0.000 0.333 258 P C -0.523 176.346 177.300 -0.718 0.000 1.315 258 P CA -0.313 62.133 63.100 -1.091 0.000 0.746 258 P CB 0.421 31.561 31.700 -0.933 0.000 1.575 259 F N -0.265 119.467 119.950 -0.363 0.000 2.368 259 F HA 0.291 4.818 4.527 0.001 0.000 0.362 259 F C 1.264 177.039 175.800 -0.042 0.000 1.137 259 F CA -0.412 57.501 58.000 -0.145 0.000 1.161 259 F CB 0.034 38.983 39.000 -0.085 0.000 1.265 259 F HN -0.135 nan 8.300 nan 0.000 0.530 260 K N 2.733 123.178 120.400 0.075 0.000 2.286 260 K HA 0.206 4.527 4.320 0.001 0.000 0.256 260 K C -0.315 176.349 176.600 0.107 0.000 0.999 260 K CA -0.365 55.950 56.287 0.046 0.000 0.908 260 K CB 0.761 33.242 32.500 -0.033 0.000 0.981 260 K HN 0.572 nan 8.250 nan 0.000 0.500 261 L N 3.454 124.694 121.223 0.029 0.000 2.287 261 L HA 0.276 4.616 4.340 0.001 0.000 0.280 261 L C -0.660 176.174 176.870 -0.060 0.000 1.055 261 L CA -0.724 54.072 54.840 -0.073 0.000 0.863 261 L CB 0.469 42.456 42.059 -0.120 0.000 1.245 261 L HN 0.488 nan 8.230 nan 0.000 0.432 262 I N 7.050 127.589 120.570 -0.051 0.000 2.428 262 I HA 0.519 4.689 4.170 0.001 0.000 0.296 262 I C -2.172 173.921 176.117 -0.041 0.000 0.985 262 I CA -2.231 59.049 61.300 -0.033 0.000 1.260 262 I CB 1.554 39.545 38.000 -0.015 0.000 1.389 262 I HN 0.316 nan 8.210 nan 0.000 0.484 263 P HA 0.269 nan 4.420 nan 0.000 0.279 263 P C -1.263 176.029 177.300 -0.013 0.000 1.239 263 P CA -0.084 63.004 63.100 -0.020 0.000 0.789 263 P CB 1.181 32.875 31.700 -0.010 0.000 0.933 264 S N 1.121 116.815 115.700 -0.010 0.000 3.813 264 S HA 0.500 4.970 4.470 0.001 0.000 0.309 264 S C -0.730 173.869 174.600 -0.002 0.000 1.136 264 S CA -0.441 57.755 58.200 -0.006 0.000 1.190 264 S CB 0.868 64.064 63.200 -0.007 0.000 1.582 264 S HN 0.491 nan 8.310 nan 0.000 0.647 265 T N 0.180 114.733 114.554 -0.002 0.000 2.824 265 T HA 0.702 5.052 4.350 0.001 0.000 0.282 265 T C -0.678 174.021 174.700 -0.001 0.000 0.993 265 T CA -0.359 61.740 62.100 -0.002 0.000 0.967 265 T CB 0.209 69.074 68.868 -0.006 0.000 0.960 265 T HN 0.808 nan 8.240 nan 0.000 0.441 269 P HA 0.426 nan 4.420 nan 0.000 0.276 269 P C -1.376 175.891 177.300 -0.055 0.000 1.244 269 P CA -0.168 62.848 63.100 -0.140 0.000 0.801 269 P CB 1.261 32.838 31.700 -0.205 0.000 1.006 270 V N 1.029 120.956 119.914 0.022 0.000 2.513 270 V HA 0.673 4.793 4.120 0.001 0.000 0.299 270 V C -0.113 176.098 176.094 0.194 0.000 1.035 270 V CA -0.813 61.556 62.300 0.115 0.000 0.889 270 V CB 1.104 32.989 31.823 0.103 0.000 0.988 270 V HN 0.748 nan 8.190 nan 0.000 0.440 271 A N 4.077 126.991 122.820 0.156 0.000 2.313 271 A HA 0.389 4.709 4.320 0.001 0.000 0.261 271 A C -0.071 177.735 177.584 0.369 0.000 1.090 271 A CA -0.201 51.848 52.037 0.020 0.000 0.807 271 A CB -0.102 18.337 19.000 -0.935 0.000 1.055 271 A HN 1.238 nan 8.150 nan 0.000 0.492 272 H N 1.302 120.593 119.070 0.368 0.000 3.232 272 H HA 0.427 4.983 4.556 0.001 0.000 0.254 272 H C 0.687 176.248 175.328 0.389 0.000 1.213 272 H CA 0.195 56.448 56.048 0.342 0.000 1.503 272 H CB -0.392 29.484 29.762 0.189 0.000 1.563 272 H HN 0.854 nan 8.280 nan 0.000 0.490 273 A N 6.177 129.041 122.820 0.073 0.000 2.602 273 A HA -0.043 4.277 4.320 0.001 0.000 0.257 273 A C -2.079 175.260 177.584 -0.408 0.000 0.973 273 A CA -0.545 51.490 52.037 -0.002 0.000 0.862 273 A CB -0.562 18.459 19.000 0.035 0.000 0.855 273 A HN 0.719 nan 8.150 nan 0.000 0.492 274 P HA 0.048 nan 4.420 nan 0.000 0.267 274 P C -0.150 176.948 177.300 -0.337 0.000 1.209 274 P CA -0.165 62.568 63.100 -0.612 0.000 0.763 274 P CB 0.409 31.609 31.700 -0.833 0.000 0.816 275 N N 4.016 122.561 118.700 -0.258 0.000 2.400 275 N HA 0.055 4.796 4.740 0.001 0.000 0.267 275 N C -0.813 174.575 175.510 -0.204 0.000 1.208 275 N CA 0.272 53.219 53.050 -0.171 0.000 0.951 275 N CB -0.132 38.293 38.487 -0.104 0.000 1.227 275 N HN -0.022 nan 8.380 nan 0.000 0.488 276 V N 4.545 124.343 119.914 -0.194 0.000 2.743 276 V HA 0.456 4.577 4.120 0.001 0.000 0.301 276 V C 0.647 176.563 176.094 -0.297 0.000 1.057 276 V CA -0.642 61.492 62.300 -0.276 0.000 1.006 276 V CB 1.223 32.880 31.823 -0.278 0.000 1.024 276 V HN 0.514 nan 8.190 nan 0.000 0.473 277 I N 3.326 123.675 120.570 -0.368 0.000 2.497 277 I HA 0.349 4.520 4.170 0.001 0.000 0.284 277 I C -0.392 175.551 176.117 -0.290 0.000 1.060 277 I CA -0.401 60.737 61.300 -0.269 0.000 1.071 277 I CB 1.132 39.030 38.000 -0.171 0.000 1.216 277 I HN 0.658 nan 8.210 nan 0.000 0.442 278 H N 4.485 123.550 119.070 -0.009 0.000 2.562 278 H HA 0.657 5.214 4.556 0.001 0.000 0.352 278 H C 0.281 175.642 175.328 0.056 0.000 1.125 278 H CA -0.301 55.762 56.048 0.025 0.000 1.379 278 H CB 1.877 31.661 29.762 0.037 0.000 1.464 278 H HN 0.762 nan 8.280 nan 0.000 0.563 279 G N 0.806 109.740 108.800 0.224 0.000 2.846 279 G HA2 0.251 4.211 3.960 0.001 0.000 0.299 279 G HA3 0.251 4.211 3.960 0.001 0.000 0.299 279 G C -1.509 173.565 174.900 0.290 0.000 1.242 279 G CA -0.806 44.449 45.100 0.257 0.000 0.800 279 G HN 0.439 nan 8.290 nan 0.000 0.538 280 F N 2.468 122.518 119.950 0.167 0.000 2.490 280 F HA 0.331 4.859 4.527 0.001 0.000 0.357 280 F C 1.239 177.080 175.800 0.069 0.000 1.166 280 F CA -0.136 57.925 58.000 0.101 0.000 1.116 280 F CB -0.257 38.773 39.000 0.050 0.000 1.171 280 F HN 0.489 nan 8.300 nan 0.000 0.576 281 K N 3.431 123.611 120.400 -0.367 0.000 3.156 281 K HA -0.285 4.036 4.320 0.001 0.000 0.266 281 K C -1.020 175.577 176.600 -0.005 0.000 0.966 281 K CA 0.676 56.799 56.287 -0.274 0.000 0.719 281 K CB -1.857 30.343 32.500 -0.500 0.000 1.333 281 K HN 0.666 nan 8.250 nan 0.000 0.468 282 H N -0.156 118.912 119.070 -0.004 0.000 2.954 282 H HA 0.541 5.098 4.556 0.001 0.000 0.361 282 H C -0.982 174.364 175.328 0.029 0.000 1.122 282 H CA -0.986 55.080 56.048 0.029 0.000 1.217 282 H CB 0.981 30.778 29.762 0.059 0.000 1.776 282 H HN 0.193 nan 8.280 nan 0.000 0.533 283 I N 3.149 123.743 120.570 0.041 0.000 2.540 283 I HA 0.187 4.358 4.170 0.001 0.000 0.280 283 I C -0.066 175.887 176.117 -0.273 0.000 1.083 283 I CA -0.795 60.438 61.300 -0.111 0.000 1.080 283 I CB 1.513 39.513 38.000 0.000 0.000 1.205 283 I HN 0.475 nan 8.210 nan 0.000 0.459 284 S N 6.534 122.000 115.700 -0.391 0.000 2.545 284 S HA 0.668 5.138 4.470 0.001 0.000 0.275 284 S C -0.497 173.887 174.600 -0.360 0.000 1.299 284 S CA -0.548 57.413 58.200 -0.399 0.000 1.048 284 S CB 1.466 64.444 63.200 -0.369 0.000 0.938 284 S HN 0.575 nan 8.310 nan 0.000 0.496 285 L N 2.919 123.910 121.223 -0.386 0.000 2.408 285 L HA 0.305 4.645 4.340 0.001 0.000 0.257 285 L C -0.023 176.624 176.870 -0.372 0.000 1.053 285 L CA -0.358 54.237 54.840 -0.408 0.000 0.922 285 L CB 0.993 42.769 42.059 -0.472 0.000 1.261 285 L HN 0.745 nan 8.230 nan 0.000 0.458 286 Q N 3.985 123.600 119.800 -0.309 0.000 2.262 286 Q HA 0.339 4.679 4.340 0.001 0.000 0.272 286 Q C -0.934 174.897 176.000 -0.281 0.000 1.076 286 Q CA 0.305 55.962 55.803 -0.244 0.000 0.905 286 Q CB 0.753 29.385 28.738 -0.176 0.000 1.182 286 Q HN 0.488 nan 8.270 nan 0.000 0.390 287 L N 2.306 123.381 121.223 -0.246 0.000 2.354 287 L HA 0.510 4.850 4.340 0.001 0.000 0.269 287 L C -0.538 176.291 176.870 -0.068 0.000 1.005 287 L CA -0.620 54.066 54.840 -0.257 0.000 0.819 287 L CB 1.873 43.766 42.059 -0.276 0.000 1.311 287 L HN 0.456 nan 8.230 nan 0.000 0.423 288 D N 0.629 121.055 120.400 0.044 0.000 2.527 288 D HA 0.229 4.870 4.640 0.001 0.000 0.242 288 D C -1.213 175.121 176.300 0.056 0.000 1.285 288 D CA -0.182 53.836 54.000 0.031 0.000 0.886 288 D CB 1.250 42.028 40.800 -0.036 0.000 1.402 288 D HN 0.484 nan 8.370 nan 0.000 0.528 289 T N -1.022 113.557 114.554 0.042 0.000 2.779 289 T HA 0.203 4.554 4.350 0.001 0.000 0.280 289 T C 1.105 175.688 174.700 -0.195 0.000 0.987 289 T CA -0.788 61.247 62.100 -0.108 0.000 0.966 289 T CB 2.283 71.015 68.868 -0.226 0.000 0.933 289 T HN -0.064 nan 8.240 nan 0.000 0.442 290 D N 1.568 121.834 120.400 -0.222 0.000 2.239 290 D HA -0.179 4.462 4.640 0.001 0.000 0.202 290 D C 0.937 177.197 176.300 -0.067 0.000 0.993 290 D CA 1.640 55.576 54.000 -0.107 0.000 0.874 290 D CB 0.091 40.893 40.800 0.003 0.000 0.922 290 D HN 0.898 nan 8.370 nan 0.000 0.464 291 H N -2.895 116.182 119.070 0.012 0.000 3.038 291 H HA 0.334 4.890 4.556 0.001 0.000 0.289 291 H C -0.552 174.789 175.328 0.023 0.000 1.510 291 H CA -1.107 54.937 56.048 -0.006 0.000 1.227 291 H CB 0.087 29.828 29.762 -0.035 0.000 1.880 291 H HN -0.152 nan 8.280 nan 0.000 0.594 292 L N 2.644 124.029 121.223 0.270 0.000 2.295 292 L HA 0.184 4.524 4.340 0.001 0.000 0.288 292 L C 0.214 177.371 176.870 0.478 0.000 1.079 292 L CA -0.141 54.883 54.840 0.307 0.000 0.830 292 L CB 0.759 42.935 42.059 0.196 0.000 1.200 292 L HN 0.737 nan 8.230 nan 0.000 0.438 293 T N 2.646 117.364 114.554 0.273 0.000 2.855 293 T HA 0.453 4.804 4.350 0.001 0.000 0.281 293 T C -0.357 174.129 174.700 -0.357 0.000 1.007 293 T CA -0.777 61.278 62.100 -0.074 0.000 1.009 293 T CB 1.632 70.236 68.868 -0.440 0.000 0.983 293 T HN 0.368 nan 8.240 nan 0.000 0.455 294 L N 3.764 124.430 121.223 -0.927 0.000 2.326 294 L HA 0.535 4.876 4.340 0.001 0.000 0.278 294 L C -0.563 176.004 176.870 -0.506 0.000 1.092 294 L CA -0.948 53.196 54.840 -1.160 0.000 0.810 294 L CB 1.040 42.204 42.059 -1.492 0.000 1.153 294 L HN 0.652 nan 8.230 nan 0.000 0.439 295 L N 4.709 125.787 121.223 -0.242 0.000 2.345 295 L HA 0.441 4.782 4.340 0.001 0.000 0.274 295 L C -0.728 176.139 176.870 -0.006 0.000 0.999 295 L CA -0.262 54.614 54.840 0.060 0.000 0.849 295 L CB 1.654 43.884 42.059 0.286 0.000 1.220 295 L HN 0.614 nan 8.230 nan 0.000 0.422 296 T N 1.220 115.767 114.554 -0.013 0.000 2.929 296 T HA 0.720 5.071 4.350 0.001 0.000 0.284 296 T C 0.070 174.731 174.700 -0.067 0.000 1.014 296 T CA -0.528 61.544 62.100 -0.047 0.000 1.051 296 T CB 1.848 70.682 68.868 -0.056 0.000 1.028 296 T HN 0.696 nan 8.240 nan 0.000 0.485 297 T N -0.816 113.651 114.554 -0.145 0.000 2.816 297 T HA 0.856 5.206 4.350 0.001 0.000 0.299 297 T C -1.329 173.266 174.700 -0.175 0.000 1.230 297 T CA -1.315 60.648 62.100 -0.228 0.000 1.007 297 T CB 2.073 70.597 68.868 -0.574 0.000 1.289 297 T HN 1.058 nan 8.240 nan 0.000 0.508 298 R N -0.337 120.058 120.500 -0.175 0.000 2.728 298 R HA 0.527 4.868 4.340 0.001 0.000 0.259 298 R C -1.303 174.913 176.300 -0.141 0.000 1.057 298 R CA -1.180 54.837 56.100 -0.138 0.000 0.908 298 R CB 1.049 31.284 30.300 -0.108 0.000 1.259 298 R HN 0.628 nan 8.270 nan 0.000 0.472 299 R N 1.747 122.169 120.500 -0.131 0.000 2.615 299 R HA 0.279 4.620 4.340 0.001 0.000 0.270 299 R C 0.476 176.700 176.300 -0.127 0.000 1.081 299 R CA -0.497 55.528 56.100 -0.124 0.000 1.154 299 R CB 0.657 30.889 30.300 -0.112 0.000 1.063 299 R HN 0.617 nan 8.270 nan 0.000 0.519 300 L N 0.915 122.075 121.223 -0.105 0.000 2.607 300 L HA 0.169 4.509 4.340 0.001 0.000 0.228 300 L C 1.394 178.233 176.870 -0.052 0.000 1.123 300 L CA -0.102 54.700 54.840 -0.062 0.000 0.890 300 L CB -0.159 41.884 42.059 -0.025 0.000 1.103 300 L HN 0.719 nan 8.230 nan 0.000 0.468 301 G N -0.363 108.371 108.800 -0.109 0.000 2.508 301 G HA2 0.350 4.310 3.960 0.001 0.000 0.278 301 G HA3 0.350 4.310 3.960 0.001 0.000 0.278 301 G C 1.076 175.681 174.900 -0.493 0.000 1.389 301 G CA 0.283 45.297 45.100 -0.142 0.000 1.050 301 G HN 0.114 nan 8.290 nan 0.000 0.522 302 A N -0.484 122.005 122.820 -0.552 0.000 1.873 302 A HA 0.019 4.339 4.320 0.001 0.000 0.215 302 A C 1.441 178.620 177.584 -0.675 0.000 1.186 302 A CA 1.298 52.704 52.037 -1.052 0.000 0.616 302 A CB -0.414 18.367 19.000 -0.364 0.000 0.823 302 A HN 0.466 nan 8.150 nan 0.000 0.442 303 N N -0.135 118.360 118.700 -0.342 0.000 2.485 303 N HA 0.356 5.096 4.740 0.001 0.000 0.243 303 N C -2.268 173.132 175.510 -0.184 0.000 0.987 303 N CA -2.163 50.757 53.050 -0.215 0.000 0.940 303 N CB 1.552 39.967 38.487 -0.122 0.000 1.122 303 N HN 0.044 nan 8.380 nan 0.000 0.509 304 P HA 0.057 nan 4.420 nan 0.000 0.234 304 P C -0.839 176.400 177.300 -0.101 0.000 1.175 304 P CA 0.341 63.352 63.100 -0.148 0.000 0.801 304 P CB 0.134 31.743 31.700 -0.151 0.000 0.891 305 E N -0.387 119.767 120.200 -0.077 0.000 2.149 305 E HA -0.176 4.175 4.350 0.001 0.000 0.191 305 E C -1.839 174.730 176.600 -0.050 0.000 1.384 305 E CA -0.358 56.014 56.400 -0.048 0.000 0.698 305 E CB -1.931 27.749 29.700 -0.033 0.000 1.086 305 E HN 0.407 nan 8.360 nan 0.000 0.338 306 P HA -0.042 nan 4.420 nan 0.000 0.267 306 P C -0.454 176.822 177.300 -0.039 0.000 1.201 306 P CA 0.446 63.511 63.100 -0.058 0.000 0.775 306 P CB 0.727 32.403 31.700 -0.041 0.000 0.854 307 T N 0.262 114.784 114.554 -0.055 0.000 3.313 307 T HA 0.282 4.632 4.350 0.001 0.000 0.333 307 T C -0.537 174.153 174.700 -0.017 0.000 0.904 307 T CA -0.559 61.529 62.100 -0.020 0.000 1.079 307 T CB 0.617 69.479 68.868 -0.010 0.000 1.017 307 T HN 0.360 nan 8.240 nan 0.000 0.471 308 T N 2.158 116.718 114.554 0.010 0.000 2.928 308 T HA 0.704 5.054 4.350 0.001 0.000 0.284 308 T C -0.797 173.936 174.700 0.055 0.000 1.008 308 T CA -0.376 61.729 62.100 0.009 0.000 1.057 308 T CB 1.256 70.132 68.868 0.012 0.000 1.018 308 T HN 0.745 nan 8.240 nan 0.000 0.493 309 E N 2.627 122.848 120.200 0.036 0.000 2.388 309 E HA 0.294 4.644 4.350 0.001 0.000 0.282 309 E C -2.015 174.615 176.600 0.050 0.000 1.026 309 E CA -0.836 55.632 56.400 0.113 0.000 0.820 309 E CB 0.999 30.774 29.700 0.125 0.000 1.226 309 E HN 0.666 nan 8.360 nan 0.000 0.432 310 W N 4.970 126.310 121.300 0.068 0.000 2.391 310 W HA 0.503 5.163 4.660 0.001 0.000 0.311 310 W C 0.035 176.596 176.519 0.071 0.000 1.087 310 W CA -0.431 56.955 57.345 0.069 0.000 1.209 310 W CB 0.951 30.446 29.460 0.057 0.000 1.273 310 W HN 0.398 nan 8.180 nan 0.000 0.482 311 I N 1.342 122.070 120.570 0.264 0.000 2.797 311 I HA 0.896 5.067 4.170 0.001 0.000 0.307 311 I C -0.725 175.498 176.117 0.176 0.000 1.033 311 I CA -1.349 60.071 61.300 0.200 0.000 1.071 311 I CB 1.662 39.777 38.000 0.192 0.000 1.255 311 I HN 0.081 nan 8.210 nan 0.000 0.445 312 V N 2.298 122.281 119.914 0.115 0.000 3.049 312 V HA 0.862 4.983 4.120 0.001 0.000 0.309 312 V C 0.694 176.810 176.094 0.035 0.000 1.148 312 V CA 0.075 62.416 62.300 0.068 0.000 0.990 312 V CB 0.603 32.459 31.823 0.056 0.000 1.039 312 V HN 1.372 nan 8.190 nan 0.000 0.430 313 G N 2.549 111.352 108.800 0.005 0.000 2.556 313 G HA2 -0.237 3.723 3.960 0.001 0.000 0.283 313 G HA3 -0.237 3.723 3.960 0.001 0.000 0.283 313 G C -0.193 174.704 174.900 -0.006 0.000 1.177 313 G CA 0.795 45.890 45.100 -0.010 0.000 0.978 313 G HN 1.340 nan 8.290 nan 0.000 0.554 314 K N 0.936 121.326 120.400 -0.016 0.000 2.450 314 K HA 0.691 5.011 4.320 0.001 0.000 0.257 314 K C 0.111 176.689 176.600 -0.036 0.000 0.953 314 K CA 0.667 56.936 56.287 -0.030 0.000 0.844 314 K CB 1.449 33.926 32.500 -0.039 0.000 1.103 314 K HN 1.378 nan 8.250 nan 0.000 0.429 315 T N -0.526 113.998 114.554 -0.051 0.000 2.681 315 T HA 0.666 5.016 4.350 0.001 0.000 0.296 315 T C -1.119 173.512 174.700 -0.116 0.000 1.157 315 T CA -0.761 61.297 62.100 -0.070 0.000 1.025 315 T CB 1.031 69.866 68.868 -0.055 0.000 1.441 315 T HN 0.167 nan 8.240 nan 0.000 0.504 316 V N 0.271 120.103 119.914 -0.137 0.000 2.864 316 V HA 0.858 4.979 4.120 0.001 0.000 0.314 316 V C -0.534 175.416 176.094 -0.240 0.000 1.073 316 V CA -0.994 61.190 62.300 -0.194 0.000 0.956 316 V CB 2.002 33.719 31.823 -0.178 0.000 1.023 316 V HN 0.982 nan 8.190 nan 0.000 0.435 317 R N 2.435 122.726 120.500 -0.349 0.000 2.713 317 R HA 0.416 4.756 4.340 0.001 0.000 0.282 317 R C -0.805 175.010 176.300 -0.807 0.000 1.472 317 R CA -0.344 55.439 56.100 -0.528 0.000 1.060 317 R CB 0.521 30.537 30.300 -0.473 0.000 1.237 317 R HN 0.772 nan 8.270 nan 0.000 0.484 318 N N 2.123 120.422 118.700 -0.669 0.000 2.467 318 N HA 0.356 5.097 4.740 0.001 0.000 0.262 318 N C -0.995 174.004 175.510 -0.852 0.000 1.234 318 N CA 0.460 53.153 53.050 -0.595 0.000 0.952 318 N CB 0.436 38.735 38.487 -0.313 0.000 1.158 318 N HN 0.204 nan 8.380 nan 0.000 0.463 319 F N -1.370 118.556 119.950 -0.040 0.000 2.596 319 F HA 0.257 4.785 4.527 0.001 0.000 0.311 319 F C 0.656 176.497 175.800 0.068 0.000 1.116 319 F CA -1.056 56.944 58.000 -0.001 0.000 0.957 319 F CB 0.942 39.917 39.000 -0.042 0.000 1.250 319 F HN 0.326 nan 8.300 nan 0.000 0.444 320 T N -0.895 113.807 114.554 0.248 0.000 2.802 320 T HA 0.529 4.879 4.350 0.001 0.000 0.305 320 T C -0.556 174.211 174.700 0.111 0.000 1.053 320 T CA -0.440 61.745 62.100 0.143 0.000 1.058 320 T CB 1.093 70.006 68.868 0.076 0.000 0.988 320 T HN 0.414 nan 8.240 nan 0.000 0.539 321 V N 3.212 123.153 119.914 0.045 0.000 2.385 321 V HA 0.220 4.341 4.120 0.001 0.000 0.277 321 V C 0.354 176.432 176.094 -0.027 0.000 1.012 321 V CA -0.741 61.567 62.300 0.013 0.000 0.832 321 V CB 1.205 33.044 31.823 0.026 0.000 1.028 321 V HN 1.106 nan 8.190 nan 0.000 0.436 322 D N 4.521 124.908 120.400 -0.021 0.000 2.370 322 D HA -0.109 4.532 4.640 0.001 0.000 0.256 322 D C 1.302 177.592 176.300 -0.017 0.000 1.197 322 D CA 0.367 54.353 54.000 -0.024 0.000 0.922 322 D CB -0.167 40.618 40.800 -0.025 0.000 0.911 322 D HN 0.716 nan 8.370 nan 0.000 0.517 323 R N -0.680 119.811 120.500 -0.016 0.000 3.621 323 R HA -0.239 4.101 4.340 0.001 0.000 0.410 323 R C -0.299 176.038 176.300 0.061 0.000 0.541 323 R CA 1.873 57.979 56.100 0.009 0.000 1.518 323 R CB -1.917 28.383 30.300 0.001 0.000 2.022 323 R HN 0.215 nan 8.270 nan 0.000 0.356 324 D N 0.712 121.145 120.400 0.055 0.000 2.339 324 D HA 0.293 4.933 4.640 0.001 0.000 0.217 324 D C 1.120 177.479 176.300 0.099 0.000 1.050 324 D CA 1.454 55.513 54.000 0.099 0.000 0.856 324 D CB 0.759 41.593 40.800 0.057 0.000 0.922 324 D HN 0.761 nan 8.370 nan 0.000 0.518 325 G N 0.677 109.491 108.800 0.023 0.000 2.598 325 G HA2 0.009 3.969 3.960 0.001 0.000 0.244 325 G HA3 0.009 3.969 3.960 0.001 0.000 0.244 325 G C -0.702 174.078 174.900 -0.199 0.000 1.302 325 G CA -0.210 44.785 45.100 -0.175 0.000 0.903 325 G HN 0.743 nan 8.290 nan 0.000 0.575 326 L N -3.989 117.052 121.223 -0.302 0.000 2.789 326 L HA 0.840 5.181 4.340 0.001 0.000 0.254 326 L C -0.821 175.926 176.870 -0.204 0.000 0.952 326 L CA -0.528 54.192 54.840 -0.201 0.000 0.942 326 L CB 1.701 43.682 42.059 -0.130 0.000 1.502 326 L HN 1.064 nan 8.230 nan 0.000 0.425 327 E N 1.555 121.655 120.200 -0.168 0.000 2.266 327 E HA 0.567 4.917 4.350 0.001 0.000 0.277 327 E C -1.819 174.729 176.600 -0.087 0.000 1.018 327 E CA -0.742 55.561 56.400 -0.161 0.000 0.840 327 E CB 1.215 30.836 29.700 -0.132 0.000 1.082 327 E HN 0.716 nan 8.360 nan 0.000 0.395 328 Y N 3.736 123.966 120.300 -0.117 0.000 2.354 328 Y HA 0.443 4.993 4.550 0.001 0.000 0.330 328 Y C -1.099 174.791 175.900 -0.016 0.000 1.011 328 Y CA -1.430 56.607 58.100 -0.105 0.000 1.099 328 Y CB 0.636 39.020 38.460 -0.127 0.000 1.179 328 Y HN 0.198 nan 8.280 nan 0.000 0.442 329 I N 2.434 123.082 120.570 0.130 0.000 2.440 329 I HA 0.244 4.415 4.170 0.001 0.000 0.294 329 I C -1.020 175.279 176.117 0.304 0.000 0.995 329 I CA -0.519 60.862 61.300 0.136 0.000 1.306 329 I CB 1.373 39.392 38.000 0.032 0.000 1.407 329 I HN 0.981 nan 8.210 nan 0.000 0.501 330 W N 5.863 127.218 121.300 0.091 0.000 2.387 330 W HA 0.572 5.232 4.660 0.001 0.000 0.285 330 W C 0.380 176.835 176.519 -0.106 0.000 1.011 330 W CA -0.666 56.672 57.345 -0.011 0.000 1.576 330 W CB 0.811 30.273 29.460 0.003 0.000 1.540 330 W HN 0.908 nan 8.180 nan 0.000 0.383 331 G N 5.437 113.948 108.800 -0.481 0.000 2.546 331 G HA2 -0.301 3.659 3.960 0.001 0.000 0.285 331 G HA3 -0.301 3.659 3.960 0.001 0.000 0.285 331 G C 0.416 175.176 174.900 -0.232 0.000 1.105 331 G CA 0.062 44.823 45.100 -0.565 0.000 1.189 331 G HN 1.738 nan 8.290 nan 0.000 0.534 332 N N -1.292 117.351 118.700 -0.095 0.000 2.693 332 N HA -0.266 4.475 4.740 0.001 0.000 0.250 332 N C 0.219 175.796 175.510 0.112 0.000 1.033 332 N CA 2.246 55.302 53.050 0.010 0.000 0.747 332 N CB -1.518 36.980 38.487 0.018 0.000 0.964 332 N HN 0.926 nan 8.380 nan 0.000 0.540 333 H N -0.011 119.039 119.070 -0.033 0.000 2.408 333 H HA 0.440 4.996 4.556 0.001 0.000 0.352 333 H C 0.588 175.923 175.328 0.012 0.000 1.607 333 H CA -0.091 55.974 56.048 0.029 0.000 1.445 333 H CB 0.500 30.342 29.762 0.134 0.000 1.664 333 H HN 0.221 nan 8.280 nan 0.000 0.605 334 E N 0.823 121.071 120.200 0.081 0.000 2.283 334 E HA 0.220 4.571 4.350 0.001 0.000 0.271 334 E C -2.139 174.469 176.600 0.012 0.000 1.031 334 E CA -1.965 54.448 56.400 0.022 0.000 0.868 334 E CB 0.481 30.168 29.700 -0.021 0.000 1.094 334 E HN 0.378 nan 8.360 nan 0.000 0.401 335 P HA 0.060 nan 4.420 nan 0.000 0.231 335 P C 0.065 177.250 177.300 -0.191 0.000 1.811 335 P CA -0.186 62.858 63.100 -0.093 0.000 1.051 335 P CB 0.038 31.698 31.700 -0.066 0.000 1.951 336 V N 3.281 123.016 119.914 -0.299 0.000 2.928 336 V HA 0.078 4.198 4.120 0.001 0.000 0.307 336 V C 0.340 176.148 176.094 -0.477 0.000 1.105 336 V CA 0.281 62.357 62.300 -0.373 0.000 1.223 336 V CB 0.093 31.658 31.823 -0.429 0.000 0.930 336 V HN 0.528 nan 8.190 nan 0.000 0.499 337 R N 4.462 124.792 120.500 -0.283 0.000 2.725 337 R HA 0.849 5.189 4.340 0.001 0.000 0.277 337 R C -1.949 174.202 176.300 -0.249 0.000 0.987 337 R CA -0.943 54.985 56.100 -0.288 0.000 0.901 337 R CB 2.064 32.192 30.300 -0.286 0.000 1.207 337 R HN 0.473 nan 8.270 nan 0.000 0.463 338 V N 2.127 121.881 119.914 -0.266 0.000 2.769 338 V HA 0.527 4.647 4.120 0.001 0.000 0.312 338 V C -0.987 174.925 176.094 -0.305 0.000 1.061 338 V CA -0.795 61.438 62.300 -0.113 0.000 0.931 338 V CB 1.447 33.360 31.823 0.149 0.000 1.010 338 V HN 0.696 nan 8.190 nan 0.000 0.433 339 Y N 0.690 121.010 120.300 0.033 0.000 2.730 339 Y HA 0.771 5.321 4.550 0.001 0.000 0.325 339 Y C 0.495 176.393 175.900 -0.003 0.000 1.132 339 Y CA -1.028 57.074 58.100 0.004 0.000 1.206 339 Y CB 1.548 39.994 38.460 -0.023 0.000 1.390 339 Y HN 0.625 nan 8.280 nan 0.000 0.555 340 A N 1.562 124.481 122.820 0.165 0.000 2.838 340 A HA 0.431 4.752 4.320 0.001 0.000 0.337 340 A C -0.693 176.901 177.584 0.016 0.000 1.383 340 A CA -0.555 51.510 52.037 0.047 0.000 0.985 340 A CB -0.636 18.355 19.000 -0.015 0.000 1.157 340 A HN 0.610 nan 8.150 nan 0.000 0.497 361 Y N 1.883 122.124 120.300 -0.098 0.000 2.327 361 Y HA 0.592 5.142 4.550 0.001 0.000 0.336 361 Y C 0.170 176.072 175.900 0.004 0.000 1.035 361 Y CA -0.975 57.042 58.100 -0.139 0.000 1.165 361 Y CB 1.424 39.666 38.460 -0.363 0.000 1.181 361 Y HN 0.381 nan 8.280 nan 0.000 0.494 362 E N 5.924 125.855 120.200 -0.448 0.000 2.115 362 E HA 0.110 4.460 4.350 0.001 0.000 0.282 362 E C -1.687 174.591 176.600 -0.538 0.000 0.987 362 E CA -0.437 55.748 56.400 -0.359 0.000 0.797 362 E CB 0.289 29.860 29.700 -0.215 0.000 1.086 362 E HN 0.815 nan 8.360 nan 0.000 0.397 363 H N 2.361 121.189 119.070 -0.403 0.000 2.489 363 H HA 0.593 5.149 4.556 0.001 0.000 0.343 363 H C -1.454 173.782 175.328 -0.153 0.000 1.086 363 H CA -0.476 55.393 56.048 -0.297 0.000 1.198 363 H CB 1.573 31.252 29.762 -0.138 0.000 1.490 363 H HN 0.446 nan 8.280 nan 0.000 0.504 364 A N 4.656 127.101 122.820 -0.624 0.000 2.277 364 A HA 0.555 4.875 4.320 0.001 0.000 0.318 364 A C -0.200 177.092 177.584 -0.487 0.000 1.339 364 A CA -0.108 51.672 52.037 -0.429 0.000 0.875 364 A CB -0.052 18.799 19.000 -0.250 0.000 1.158 364 A HN 0.841 nan 8.150 nan 0.000 0.514 365 T N -1.046 113.305 114.554 -0.338 0.000 2.807 365 T HA 0.845 5.195 4.350 0.001 0.000 0.277 365 T C -0.118 174.491 174.700 -0.152 0.000 1.006 365 T CA -0.175 61.821 62.100 -0.174 0.000 1.006 365 T CB 1.607 70.471 68.868 -0.005 0.000 1.274 365 T HN 1.081 nan 8.240 nan 0.000 0.569 366 T N -1.010 113.446 114.554 -0.163 0.000 2.985 366 T HA 0.561 4.911 4.350 0.001 0.000 0.315 366 T C -0.779 173.673 174.700 -0.412 0.000 1.001 366 T CA -0.680 61.288 62.100 -0.220 0.000 1.016 366 T CB 0.477 69.258 68.868 -0.145 0.000 0.993 366 T HN 0.566 nan 8.240 nan 0.000 0.454 367 V N 6.470 126.114 119.914 -0.450 0.000 2.432 367 V HA 0.428 4.548 4.120 0.001 0.000 0.275 367 V C -1.908 173.966 176.094 -0.368 0.000 1.043 367 V CA -2.073 59.861 62.300 -0.609 0.000 0.925 367 V CB 1.143 32.704 31.823 -0.436 0.000 0.985 367 V HN 0.759 nan 8.190 nan 0.000 0.466 368 P HA -0.002 nan 4.420 nan 0.000 0.264 368 P C -0.452 176.745 177.300 -0.172 0.000 1.193 368 P CA -0.116 62.869 63.100 -0.192 0.000 0.763 368 P CB 0.422 32.056 31.700 -0.110 0.000 0.810 369 N N 3.690 122.273 118.700 -0.194 0.000 2.466 369 N HA 0.175 4.915 4.740 0.001 0.000 0.263 369 N C -1.296 174.141 175.510 -0.121 0.000 1.178 369 N CA -0.020 52.915 53.050 -0.193 0.000 0.983 369 N CB -0.589 37.704 38.487 -0.322 0.000 1.331 369 N HN 0.040 nan 8.380 nan 0.000 0.500 370 V N 4.907 124.781 119.914 -0.066 0.000 2.610 370 V HA 0.324 4.445 4.120 0.001 0.000 0.288 370 V C -2.250 173.844 176.094 -0.000 0.000 1.055 370 V CA -1.536 60.754 62.300 -0.018 0.000 0.902 370 V CB 1.800 33.618 31.823 -0.008 0.000 1.030 370 V HN 0.471 nan 8.190 nan 0.000 0.448 371 P HA 0.019 nan 4.420 nan 0.000 0.264 371 P C 0.525 177.840 177.300 0.025 0.000 1.173 371 P CA 0.780 63.896 63.100 0.027 0.000 0.761 371 P CB 0.291 32.016 31.700 0.041 0.000 0.794 372 Q N -0.821 119.000 119.800 0.035 0.000 2.217 372 Q HA -0.195 4.145 4.340 0.001 0.000 0.170 372 Q C 0.117 176.138 176.000 0.035 0.000 0.597 372 Q CA 1.268 57.092 55.803 0.034 0.000 1.426 372 Q CB -1.821 26.930 28.738 0.021 0.000 1.504 372 Q HN 0.423 nan 8.270 nan 0.000 0.860 373 I N 3.851 124.439 120.570 0.031 0.000 2.301 373 I HA 0.221 4.392 4.170 0.001 0.000 0.292 373 I C -1.625 174.538 176.117 0.077 0.000 1.046 373 I CA -2.488 58.838 61.300 0.043 0.000 1.282 373 I CB 0.324 38.338 38.000 0.024 0.000 1.409 373 I HN -0.100 nan 8.210 nan 0.000 0.484 374 P HA 0.066 nan 4.420 nan 0.000 0.271 374 P C -1.173 176.228 177.300 0.169 0.000 1.216 374 P CA -0.126 63.044 63.100 0.117 0.000 0.776 374 P CB 0.701 32.456 31.700 0.093 0.000 0.881 375 Y N 3.126 123.442 120.300 0.025 0.000 2.356 375 Y HA 0.274 4.825 4.550 0.001 0.000 0.334 375 Y C -0.076 175.836 175.900 0.020 0.000 0.958 375 Y CA -0.845 57.271 58.100 0.026 0.000 1.196 375 Y CB 1.044 39.509 38.460 0.009 0.000 1.137 375 Y HN 0.106 nan 8.280 nan 0.000 0.485 376 K N 4.942 125.158 120.400 -0.306 0.000 2.201 376 K HA 0.770 5.091 4.320 0.001 0.000 0.278 376 K C -0.765 175.448 176.600 -0.645 0.000 1.027 376 K CA -0.306 55.807 56.287 -0.290 0.000 0.909 376 K CB 1.386 33.841 32.500 -0.075 0.000 1.062 376 K HN 0.723 nan 8.250 nan 0.000 0.465 377 A N 3.161 125.646 122.820 -0.557 0.000 2.569 377 A HA 0.728 5.048 4.320 0.001 0.000 0.290 377 A C -1.337 175.976 177.584 -0.452 0.000 1.136 377 A CA -0.789 50.862 52.037 -0.643 0.000 0.710 377 A CB 1.313 20.180 19.000 -0.222 0.000 1.303 377 A HN 0.559 nan 8.150 nan 0.000 0.413 378 L N 1.507 122.516 121.223 -0.356 0.000 2.325 378 L HA 0.409 4.749 4.340 0.001 0.000 0.281 378 L C -0.841 175.969 176.870 -0.099 0.000 1.004 378 L CA -0.968 53.768 54.840 -0.174 0.000 0.823 378 L CB 1.806 43.812 42.059 -0.088 0.000 1.236 378 L HN 0.511 nan 8.230 nan 0.000 0.415 379 V N 3.130 122.969 119.914 -0.126 0.000 2.415 379 V HA 0.122 4.242 4.120 0.001 0.000 0.267 379 V C 0.270 176.379 176.094 0.025 0.000 1.042 379 V CA -0.508 61.722 62.300 -0.116 0.000 1.000 379 V CB 0.399 32.188 31.823 -0.056 0.000 1.015 379 V HN 0.613 nan 8.190 nan 0.000 0.478 380 E N 5.654 125.900 120.200 0.076 0.000 2.055 380 E HA 0.449 4.800 4.350 0.001 0.000 0.274 380 E C -0.375 176.246 176.600 0.035 0.000 0.949 380 E CA -0.381 56.064 56.400 0.075 0.000 0.775 380 E CB 2.041 31.802 29.700 0.101 0.000 1.097 380 E HN 0.526 nan 8.360 nan 0.000 0.404 381 R N 1.190 121.669 120.500 -0.035 0.000 2.686 381 R HA 0.510 4.850 4.340 0.001 0.000 0.286 381 R C -0.656 175.651 176.300 0.011 0.000 0.969 381 R CA -0.723 55.291 56.100 -0.143 0.000 0.898 381 R CB 1.904 31.900 30.300 -0.508 0.000 1.183 381 R HN 0.556 nan 8.270 nan 0.000 0.456 382 A N 1.580 124.408 122.820 0.012 0.000 2.567 382 A HA 0.320 4.640 4.320 0.001 0.000 0.240 382 A C 1.295 178.911 177.584 0.054 0.000 1.053 382 A CA 1.224 53.282 52.037 0.034 0.000 0.755 382 A CB -0.382 18.629 19.000 0.019 0.000 0.978 382 A HN 1.078 nan 8.150 nan 0.000 0.507 383 G N 1.236 110.032 108.800 -0.006 0.000 2.412 383 G HA2 -0.328 3.633 3.960 0.001 0.000 0.252 383 G HA3 -0.328 3.633 3.960 0.001 0.000 0.252 383 G C 0.295 175.106 174.900 -0.148 0.000 1.038 383 G CA 1.031 46.072 45.100 -0.099 0.000 0.628 383 G HN 0.860 nan 8.290 nan 0.000 0.531 384 Y N 1.292 121.558 120.300 -0.057 0.000 2.300 384 Y HA 0.571 5.121 4.550 0.001 0.000 0.328 384 Y C 0.934 176.833 175.900 -0.002 0.000 1.270 384 Y CA -0.038 58.044 58.100 -0.029 0.000 1.352 384 Y CB 1.118 39.543 38.460 -0.058 0.000 1.286 384 Y HN 0.446 nan 8.280 nan 0.000 0.536 385 A N 4.270 127.207 122.820 0.196 0.000 2.276 385 A HA 0.426 4.746 4.320 0.001 0.000 0.300 385 A C -2.361 175.292 177.584 0.115 0.000 1.235 385 A CA -1.778 50.327 52.037 0.112 0.000 0.867 385 A CB -0.573 18.471 19.000 0.074 0.000 1.137 385 A HN 0.497 nan 8.150 nan 0.000 0.527 386 P HA -0.087 nan 4.420 nan 0.000 0.266 386 P C -0.622 176.691 177.300 0.023 0.000 1.162 386 P CA 0.529 63.659 63.100 0.049 0.000 0.758 386 P CB 0.448 32.165 31.700 0.028 0.000 0.774 387 L N 2.681 123.904 121.223 0.000 0.000 2.322 387 L HA 0.299 4.639 4.340 0.001 0.000 0.281 387 L C 0.618 177.442 176.870 -0.077 0.000 1.014 387 L CA -1.049 53.758 54.840 -0.055 0.000 0.815 387 L CB 1.378 43.381 42.059 -0.093 0.000 1.247 387 L HN 0.286 nan 8.230 nan 0.000 0.421 388 N N 4.095 122.747 118.700 -0.080 0.000 2.386 388 N HA 0.063 4.804 4.740 0.001 0.000 0.273 388 N C -1.162 174.320 175.510 -0.046 0.000 1.331 388 N CA 0.313 53.321 53.050 -0.070 0.000 0.891 388 N CB 0.152 38.598 38.487 -0.068 0.000 1.139 388 N HN 0.369 nan 8.380 nan 0.000 0.487 389 L N 3.470 124.656 121.223 -0.062 0.000 2.446 389 L HA 0.408 4.748 4.340 0.001 0.000 0.268 389 L C -1.064 175.790 176.870 -0.027 0.000 0.975 389 L CA -0.474 54.346 54.840 -0.032 0.000 0.848 389 L CB 1.257 43.283 42.059 -0.055 0.000 1.225 389 L HN 0.678 nan 8.230 nan 0.000 0.410 390 E N 5.252 125.464 120.200 0.019 0.000 2.246 390 E HA 0.655 5.006 4.350 0.001 0.000 0.266 390 E C -1.494 175.152 176.600 0.075 0.000 0.880 390 E CA -0.696 55.728 56.400 0.040 0.000 0.762 390 E CB 1.928 31.645 29.700 0.029 0.000 1.180 390 E HN 0.524 nan 8.360 nan 0.000 0.416 391 I N 2.990 123.630 120.570 0.117 0.000 2.406 391 I HA 0.313 4.484 4.170 0.001 0.000 0.290 391 I C -0.443 175.728 176.117 0.090 0.000 0.999 391 I CA -0.850 60.503 61.300 0.088 0.000 1.124 391 I CB 2.164 40.213 38.000 0.080 0.000 1.289 391 I HN 0.645 nan 8.210 nan 0.000 0.441 392 T N 3.598 118.193 114.554 0.067 0.000 2.809 392 T HA 0.479 4.830 4.350 0.001 0.000 0.296 392 T C -0.227 174.504 174.700 0.051 0.000 1.015 392 T CA -0.662 61.480 62.100 0.071 0.000 0.954 392 T CB 1.393 70.316 68.868 0.092 0.000 0.950 392 T HN 0.342 nan 8.240 nan 0.000 0.450 396 S N 2.973 118.690 115.700 0.028 0.000 2.536 396 S HA 0.853 5.323 4.470 0.001 0.000 0.298 396 S C -1.067 173.551 174.600 0.030 0.000 1.083 396 S CA -0.778 57.427 58.200 0.010 0.000 0.995 396 S CB 1.862 65.065 63.200 0.005 0.000 1.058 396 S HN 0.757 nan 8.310 nan 0.000 0.488 397 E N 0.706 120.913 120.200 0.011 0.000 2.293 397 E HA 0.513 4.864 4.350 0.001 0.000 0.270 397 E C -1.543 175.087 176.600 0.051 0.000 0.879 397 E CA -0.972 55.448 56.400 0.034 0.000 0.756 397 E CB 2.452 32.152 29.700 0.001 0.000 1.208 397 E HN 0.488 nan 8.360 nan 0.000 0.428 398 V N 3.751 123.729 119.914 0.106 0.000 2.284 398 V HA 0.250 4.371 4.120 0.001 0.000 0.274 398 V C -0.913 175.247 176.094 0.110 0.000 1.023 398 V CA -0.651 61.726 62.300 0.130 0.000 0.808 398 V CB 0.373 32.319 31.823 0.205 0.000 1.035 398 V HN 0.430 nan 8.190 nan 0.000 0.445 399 L N 8.265 129.523 121.223 0.058 0.000 2.283 399 L HA 0.569 4.909 4.340 0.001 0.000 0.281 399 L C -2.209 174.663 176.870 0.003 0.000 1.033 399 L CA -1.331 53.524 54.840 0.024 0.000 0.848 399 L CB 1.109 43.187 42.059 0.032 0.000 1.226 399 L HN 0.374 nan 8.230 nan 0.000 0.429 400 P HA 0.341 nan 4.420 nan 0.000 0.285 400 P C -0.854 176.400 177.300 -0.078 0.000 1.269 400 P CA -0.797 62.255 63.100 -0.080 0.000 0.844 400 P CB 1.634 33.234 31.700 -0.166 0.000 1.094 401 S N -0.144 115.534 115.700 -0.037 0.000 2.505 401 S HA 0.372 4.842 4.470 0.001 0.000 0.276 401 S C 0.378 174.965 174.600 -0.022 0.000 1.274 401 S CA -0.366 57.828 58.200 -0.011 0.000 1.053 401 S CB -0.513 62.706 63.200 0.031 0.000 0.919 401 S HN 0.616 nan 8.310 nan 0.000 0.490 402 T N 0.827 115.360 114.554 -0.035 0.000 2.772 402 T HA 0.437 4.787 4.350 0.001 0.000 0.288 402 T C -0.833 173.851 174.700 -0.026 0.000 0.994 402 T CA -0.932 61.140 62.100 -0.046 0.000 0.951 402 T CB 0.027 68.849 68.868 -0.077 0.000 0.933 402 T HN 0.505 nan 8.240 nan 0.000 0.447 403 N N 4.115 122.806 118.700 -0.015 0.000 2.558 403 N HA 0.183 4.923 4.740 0.001 0.000 0.233 403 N C -0.161 175.330 175.510 -0.032 0.000 1.038 403 N CA -0.371 52.672 53.050 -0.012 0.000 0.934 403 N CB 1.033 39.526 38.487 0.010 0.000 1.175 403 N HN 0.656 nan 8.380 nan 0.000 0.512 404 Q N 1.025 120.792 119.800 -0.055 0.000 2.286 404 Q HA -0.069 4.271 4.340 0.001 0.000 0.290 404 Q C 0.290 176.233 176.000 -0.094 0.000 1.049 404 Q CA 0.709 56.454 55.803 -0.096 0.000 0.923 404 Q CB 0.832 29.515 28.738 -0.091 0.000 1.183 404 Q HN 0.558 nan 8.270 nan 0.000 0.383 405 E N 3.160 123.261 120.200 -0.165 0.000 2.083 405 E HA 0.037 4.388 4.350 0.001 0.000 0.193 405 E C -0.671 175.924 176.600 -0.009 0.000 0.950 405 E CA 0.869 57.222 56.400 -0.078 0.000 0.849 405 E CB 0.324 29.984 29.700 -0.067 0.000 0.827 405 E HN 0.608 nan 8.360 nan 0.000 0.465 406 Y N -2.246 118.007 120.300 -0.077 0.000 2.689 406 Y HA 0.565 5.116 4.550 0.001 0.000 0.333 406 Y C -0.609 175.222 175.900 -0.115 0.000 1.190 406 Y CA -1.610 56.459 58.100 -0.052 0.000 1.063 406 Y CB 0.489 39.006 38.460 0.096 0.000 1.294 406 Y HN -0.253 nan 8.280 nan 0.000 0.466 407 I N 0.962 121.593 120.570 0.102 0.000 2.783 407 I HA 0.685 4.855 4.170 0.001 0.000 0.312 407 I C 0.129 176.261 176.117 0.024 0.000 0.988 407 I CA -0.408 60.870 61.300 -0.036 0.000 1.182 407 I CB 1.636 39.546 38.000 -0.150 0.000 1.368 407 I HN 0.861 nan 8.210 nan 0.000 0.511 408 T N 3.235 117.694 114.554 -0.159 0.000 2.885 408 T HA 0.736 5.086 4.350 0.001 0.000 0.322 408 T C -1.046 173.309 174.700 -0.576 0.000 1.387 408 T CA -0.289 61.632 62.100 -0.297 0.000 1.041 408 T CB 0.639 69.260 68.868 -0.413 0.000 1.287 408 T HN 0.919 nan 8.240 nan 0.000 0.491 409 c N 1.241 119.537 118.600 -0.505 0.000 3.260 409 c HA 0.651 5.221 4.570 0.001 0.000 0.366 409 c C -1.069 172.975 174.090 -0.078 0.000 1.537 409 c CA -1.463 54.492 56.329 -0.624 0.000 1.160 409 c CB 0.406 42.746 42.510 -0.283 0.000 1.760 409 c HN 0.996 nan 8.230 nan 0.000 0.432 410 K N 1.379 121.873 120.400 0.156 0.000 2.402 410 K HA 0.424 4.744 4.320 0.001 0.000 0.285 410 K C -0.231 176.377 176.600 0.014 0.000 1.054 410 K CA 0.304 56.641 56.287 0.083 0.000 1.001 410 K CB 0.031 32.605 32.500 0.123 0.000 0.946 410 K HN 0.515 nan 8.250 nan 0.000 0.473 411 F N -0.158 119.856 119.950 0.106 0.000 2.375 411 F HA 0.416 4.943 4.527 0.001 0.000 0.313 411 F C 0.231 176.087 175.800 0.093 0.000 1.176 411 F CA -0.731 57.316 58.000 0.079 0.000 1.142 411 F CB 0.483 39.511 39.000 0.047 0.000 1.275 411 F HN 0.142 nan 8.300 nan 0.000 0.544 412 T N 0.098 114.906 114.554 0.422 0.000 2.861 412 T HA 0.476 4.826 4.350 0.001 0.000 0.287 412 T C -0.840 174.036 174.700 0.294 0.000 1.003 412 T CA -0.731 61.548 62.100 0.298 0.000 0.977 412 T CB 1.408 70.400 68.868 0.207 0.000 0.996 412 T HN 0.835 nan 8.240 nan 0.000 0.448 413 T N 0.942 115.626 114.554 0.216 0.000 2.744 413 T HA 0.597 4.948 4.350 0.001 0.000 0.291 413 T C 0.019 174.623 174.700 -0.160 0.000 0.957 413 T CA -0.747 61.358 62.100 0.008 0.000 1.002 413 T CB 0.668 69.560 68.868 0.041 0.000 0.919 413 T HN 0.299 nan 8.240 nan 0.000 0.468 414 V N 3.549 123.201 119.914 -0.436 0.000 2.439 414 V HA 0.460 4.580 4.120 0.001 0.000 0.282 414 V C -0.058 175.743 176.094 -0.489 0.000 1.039 414 V CA -0.794 61.190 62.300 -0.526 0.000 0.913 414 V CB 1.550 32.827 31.823 -0.911 0.000 0.983 414 V HN 0.826 nan 8.190 nan 0.000 0.460 415 V N 6.205 125.969 119.914 -0.250 0.000 2.327 415 V HA 0.340 4.461 4.120 0.001 0.000 0.272 415 V C -2.295 173.768 176.094 -0.052 0.000 1.019 415 V CA -1.351 60.847 62.300 -0.171 0.000 0.814 415 V CB 1.102 32.834 31.823 -0.153 0.000 1.040 415 V HN 0.819 nan 8.190 nan 0.000 0.440 416 P HA 0.293 nan 4.420 nan 0.000 0.275 416 P C 0.235 177.570 177.300 0.058 0.000 1.227 416 P CA -0.059 63.081 63.100 0.066 0.000 0.781 416 P CB 0.641 32.427 31.700 0.143 0.000 0.906 417 S N 4.045 119.779 115.700 0.056 0.000 2.593 417 S HA 0.055 4.526 4.470 0.001 0.000 0.300 417 S C -1.810 172.836 174.600 0.076 0.000 1.267 417 S CA -0.430 57.808 58.200 0.063 0.000 1.065 417 S CB -0.739 62.496 63.200 0.059 0.000 0.807 417 S HN 0.420 nan 8.310 nan 0.000 0.499 418 P HA 0.132 nan 4.420 nan 0.000 0.271 418 P C -0.829 176.533 177.300 0.104 0.000 1.216 418 P CA -0.375 62.788 63.100 0.105 0.000 0.771 418 P CB 0.458 32.238 31.700 0.134 0.000 0.864 419 K N 3.828 124.286 120.400 0.096 0.000 2.310 419 K HA 0.272 4.592 4.320 0.001 0.000 0.290 419 K C 0.336 176.995 176.600 0.098 0.000 1.077 419 K CA -0.450 55.888 56.287 0.085 0.000 0.922 419 K CB -0.115 32.427 32.500 0.071 0.000 1.057 419 K HN 0.478 nan 8.250 nan 0.000 0.479 420 I N -0.680 119.955 120.570 0.107 0.000 2.404 420 I HA 0.402 4.572 4.170 0.001 0.000 0.293 420 I C -0.170 176.008 176.117 0.101 0.000 0.992 420 I CA -0.545 60.832 61.300 0.129 0.000 1.149 420 I CB 1.588 39.706 38.000 0.196 0.000 1.315 420 I HN 0.271 nan 8.210 nan 0.000 0.446 421 K N 6.173 126.630 120.400 0.095 0.000 2.367 421 K HA 0.398 4.718 4.320 0.001 0.000 0.263 421 K C -1.086 175.570 176.600 0.093 0.000 1.000 421 K CA -0.571 55.764 56.287 0.079 0.000 0.891 421 K CB 1.185 33.722 32.500 0.062 0.000 1.117 421 K HN 0.958 nan 8.250 nan 0.000 0.443 422 c N 5.872 124.531 118.600 0.098 0.000 2.667 422 c HA 0.139 4.709 4.570 0.001 0.000 0.385 422 c C 0.409 174.576 174.090 0.128 0.000 1.299 422 c CA 0.111 56.514 56.329 0.124 0.000 1.554 422 c CB -2.277 40.312 42.510 0.130 0.000 2.275 422 c HN 1.024 nan 8.230 nan 0.000 0.588 423 c N 4.425 123.094 118.600 0.116 0.000 4.689 423 c HA 0.095 4.665 4.570 0.001 0.000 0.305 423 c C 0.685 174.820 174.090 0.075 0.000 1.194 423 c CA 0.451 56.841 56.329 0.102 0.000 2.314 423 c CB -2.589 40.022 42.510 0.169 0.000 1.188 423 c HN 1.404 nan 8.230 nan 0.000 0.746 424 G N -0.173 108.663 108.800 0.060 0.000 2.600 424 G HA2 0.801 4.761 3.960 0.001 0.000 0.293 424 G HA3 0.801 4.761 3.960 0.001 0.000 0.293 424 G C -0.694 174.227 174.900 0.036 0.000 1.408 424 G CA 0.336 45.462 45.100 0.044 0.000 0.782 424 G HN 1.159 nan 8.290 nan 0.000 0.482 425 S N -0.667 115.048 115.700 0.026 0.000 2.508 425 S HA 0.701 5.172 4.470 0.001 0.000 0.284 425 S C -0.346 174.264 174.600 0.017 0.000 1.192 425 S CA -0.683 57.528 58.200 0.018 0.000 1.070 425 S CB 1.629 64.835 63.200 0.010 0.000 1.004 425 S HN 0.534 nan 8.310 nan 0.000 0.493 426 L N 2.277 123.508 121.223 0.013 0.000 2.502 426 L HA 0.337 4.677 4.340 0.001 0.000 0.247 426 L C -0.128 176.741 176.870 -0.001 0.000 1.180 426 L CA -0.123 54.725 54.840 0.013 0.000 0.956 426 L CB 0.696 42.770 42.059 0.025 0.000 1.282 426 L HN 0.800 nan 8.230 nan 0.000 0.470 427 E N 1.640 121.838 120.200 -0.004 0.000 2.081 427 E HA 0.023 4.373 4.350 0.001 0.000 0.270 427 E C 0.139 176.737 176.600 -0.004 0.000 1.180 427 E CA -0.256 56.136 56.400 -0.012 0.000 0.926 427 E CB 0.871 30.564 29.700 -0.011 0.000 1.035 427 E HN 0.514 nan 8.360 nan 0.000 0.418 428 c N 3.857 122.452 118.600 -0.008 0.000 2.679 428 c HA 0.081 4.651 4.570 0.001 0.000 0.417 428 c C 0.257 174.365 174.090 0.030 0.000 1.302 428 c CA -0.235 56.105 56.329 0.019 0.000 1.973 428 c CB 0.218 42.737 42.510 0.015 0.000 2.715 428 c HN 0.762 nan 8.230 nan 0.000 0.628 429 Q N 3.957 123.789 119.800 0.053 0.000 2.337 429 Q HA 0.452 4.792 4.340 0.001 0.000 0.266 429 Q C -2.442 173.597 176.000 0.064 0.000 1.023 429 Q CA -1.550 54.275 55.803 0.037 0.000 0.829 429 Q CB 1.616 30.358 28.738 0.008 0.000 1.306 429 Q HN 0.655 nan 8.270 nan 0.000 0.449 430 P HA -0.003 nan 4.420 nan 0.000 0.252 430 P C -1.391 175.877 177.300 -0.054 0.000 1.183 430 P CA 0.351 63.485 63.100 0.057 0.000 0.973 430 P CB 0.026 31.741 31.700 0.025 0.000 0.990 431 A N 3.986 126.670 122.820 -0.228 0.000 2.923 431 A HA 0.513 4.834 4.320 0.001 0.000 0.306 431 A C 0.893 178.235 177.584 -0.404 0.000 1.542 431 A CA -0.507 51.268 52.037 -0.437 0.000 1.225 431 A CB -0.459 18.122 19.000 -0.698 0.000 1.147 431 A HN 0.539 nan 8.150 nan 0.000 0.542 432 A N 4.087 126.803 122.820 -0.174 0.000 2.532 432 A HA 0.436 4.757 4.320 0.001 0.000 0.269 432 A C 0.547 178.111 177.584 -0.033 0.000 1.079 432 A CA 1.040 53.025 52.037 -0.088 0.000 0.800 432 A CB -0.728 18.239 19.000 -0.054 0.000 1.000 432 A HN 1.401 nan 8.150 nan 0.000 0.522 433 H N -0.244 118.726 119.070 -0.167 0.000 2.876 433 H HA 0.534 5.091 4.556 0.001 0.000 0.284 433 H C 0.532 175.821 175.328 -0.064 0.000 1.445 433 H CA -0.154 55.805 56.048 -0.150 0.000 1.141 433 H CB 0.224 29.833 29.762 -0.254 0.000 1.816 433 H HN 1.371 nan 8.280 nan 0.000 0.511 434 A N 0.440 123.112 122.820 -0.247 0.000 3.214 434 A HA -0.261 4.060 4.320 0.001 0.000 0.519 434 A C 1.443 178.922 177.584 -0.176 0.000 1.190 434 A CA 2.743 54.680 52.037 -0.167 0.000 1.775 434 A CB -1.850 17.127 19.000 -0.039 0.000 1.015 434 A HN 1.549 nan 8.150 nan 0.000 0.582 435 G N -2.537 106.171 108.800 -0.153 0.000 4.477 435 G HA2 0.464 4.425 3.960 0.001 0.000 0.319 435 G HA3 0.464 4.425 3.960 0.001 0.000 0.319 435 G C -0.313 174.524 174.900 -0.105 0.000 1.391 435 G CA 0.198 45.214 45.100 -0.140 0.000 1.261 435 G HN 0.655 nan 8.290 nan 0.000 0.556 436 Y N 2.604 122.751 120.300 -0.255 0.000 2.411 436 Y HA 0.473 5.023 4.550 0.000 0.000 0.333 436 Y C 0.467 176.304 175.900 -0.105 0.000 1.186 436 Y CA 0.019 58.004 58.100 -0.192 0.000 1.381 436 Y CB 1.123 39.448 38.460 -0.226 0.000 1.273 436 Y HN 0.299 nan 8.280 nan 0.000 0.546 437 T N 3.791 117.874 114.554 -0.784 0.000 3.041 437 T HA 0.519 4.869 4.350 0.001 0.000 0.321 437 T C -0.922 173.334 174.700 -0.739 0.000 1.184 437 T CA -0.946 60.783 62.100 -0.617 0.000 1.050 437 T CB -0.009 68.678 68.868 -0.301 0.000 1.159 437 T HN 0.915 nan 8.240 nan 0.000 0.469 438 c N 1.298 119.599 118.600 -0.499 0.000 2.848 438 c HA 0.961 5.531 4.570 0.001 0.000 0.317 438 c C -1.238 172.719 174.090 -0.222 0.000 1.260 438 c CA -0.644 55.497 56.329 -0.313 0.000 1.656 438 c CB 1.422 43.836 42.510 -0.160 0.000 2.174 438 c HN 1.208 nan 8.230 nan 0.000 0.479 439 K N 1.544 121.797 120.400 -0.244 0.000 2.542 439 K HA 0.576 4.897 4.320 0.001 0.000 0.259 439 K C -1.707 174.541 176.600 -0.586 0.000 0.932 439 K CA -0.450 55.574 56.287 -0.438 0.000 0.820 439 K CB 2.513 34.660 32.500 -0.587 0.000 1.345 439 K HN 0.719 nan 8.250 nan 0.000 0.432 440 V N 4.083 123.674 119.914 -0.537 0.000 2.385 440 V HA 0.412 4.533 4.120 0.001 0.000 0.269 440 V C -0.669 175.123 176.094 -0.504 0.000 1.043 440 V CA -0.471 61.603 62.300 -0.377 0.000 0.906 440 V CB 0.028 31.740 31.823 -0.185 0.000 0.995 440 V HN 0.475 nan 8.190 nan 0.000 0.467 441 F N 2.852 122.789 119.950 -0.021 0.000 2.444 441 F HA 0.746 5.274 4.527 0.000 0.000 0.342 441 F C 0.858 176.631 175.800 -0.045 0.000 1.121 441 F CA -0.621 57.357 58.000 -0.037 0.000 0.997 441 F CB 1.823 40.791 39.000 -0.052 0.000 1.130 441 F HN 0.575 nan 8.300 nan 0.000 0.454 442 G N 0.394 109.280 108.800 0.143 0.000 2.410 442 G HA2 0.471 4.432 3.960 0.001 0.000 0.330 442 G HA3 0.471 4.432 3.960 0.001 0.000 0.330 442 G C 0.408 175.327 174.900 0.032 0.000 1.142 442 G CA -0.501 44.635 45.100 0.061 0.000 0.902 442 G HN 1.165 nan 8.290 nan 0.000 0.491 443 G N -0.498 108.307 108.800 0.008 0.000 2.350 443 G HA2 -0.140 3.821 3.960 0.001 0.000 0.298 443 G HA3 -0.140 3.821 3.960 0.001 0.000 0.298 443 G C 0.825 175.696 174.900 -0.049 0.000 1.037 443 G CA 0.346 45.440 45.100 -0.011 0.000 1.074 443 G HN 0.907 nan 8.290 nan 0.000 0.511 444 V N -0.685 119.173 119.914 -0.093 0.000 2.261 444 V HA 0.124 4.245 4.120 0.001 0.000 0.235 444 V C 1.227 177.140 176.094 -0.302 0.000 1.044 444 V CA 1.343 63.465 62.300 -0.297 0.000 1.007 444 V CB -0.550 30.986 31.823 -0.479 0.000 0.647 444 V HN 0.396 nan 8.190 nan 0.000 0.462 445 Y N 1.482 121.815 120.300 0.054 0.000 2.330 445 Y HA 0.526 5.076 4.550 0.000 0.000 0.336 445 Y C -2.269 173.665 175.900 0.057 0.000 1.036 445 Y CA -3.497 54.638 58.100 0.058 0.000 1.125 445 Y CB 0.365 38.860 38.460 0.059 0.000 1.194 445 Y HN 0.182 nan 8.280 nan 0.000 0.469 446 P HA 0.029 nan 4.420 nan 0.000 0.274 446 P C 0.380 177.819 177.300 0.232 0.000 1.256 446 P CA -0.297 62.897 63.100 0.156 0.000 0.795 446 P CB 0.672 32.447 31.700 0.124 0.000 1.038 450 G N 0.735 109.685 108.800 0.249 0.000 2.411 450 G HA2 0.398 4.358 3.960 0.001 0.000 0.213 450 G HA3 0.398 4.358 3.960 0.001 0.000 0.213 450 G C 0.728 175.768 174.900 0.232 0.000 1.166 450 G CA 1.337 46.568 45.100 0.219 0.000 0.802 450 G HN 0.183 nan 8.290 nan 0.000 0.533 451 G N -0.973 107.965 108.800 0.230 0.000 2.976 451 G HA2 0.563 4.523 3.960 0.001 0.000 0.276 451 G HA3 0.563 4.523 3.960 0.001 0.000 0.276 451 G C -0.691 174.160 174.900 -0.082 0.000 1.207 451 G CA 0.037 45.311 45.100 0.291 0.000 0.803 451 G HN 0.636 nan 8.290 nan 0.000 0.572 452 A N -0.080 122.321 122.820 -0.697 0.000 2.548 452 A HA 0.452 4.772 4.320 0.001 0.000 0.247 452 A C 0.434 177.785 177.584 -0.388 0.000 1.067 452 A CA 0.092 51.667 52.037 -0.769 0.000 0.757 452 A CB -0.434 17.829 19.000 -1.227 0.000 0.996 452 A HN 0.558 nan 8.150 nan 0.000 0.504 453 Q N 0.625 120.128 119.800 -0.495 0.000 2.955 453 Q HA 0.182 4.523 4.340 0.001 0.000 0.361 453 Q C 0.080 175.976 176.000 -0.174 0.000 1.060 453 Q CA 1.229 56.779 55.803 -0.422 0.000 1.177 453 Q CB -0.169 28.268 28.738 -0.503 0.000 0.991 453 Q HN 0.837 nan 8.270 nan 0.000 0.414 454 c N 2.045 120.614 118.600 -0.052 0.000 3.255 454 c HA 0.568 5.138 4.570 0.001 0.000 0.370 454 c C -0.648 173.672 174.090 0.382 0.000 1.823 454 c CA -0.574 55.834 56.329 0.131 0.000 1.131 454 c CB 0.287 42.890 42.510 0.154 0.000 2.141 454 c HN 0.855 nan 8.230 nan 0.000 0.419 455 F N 1.101 121.225 119.950 0.289 0.000 2.699 455 F HA 0.544 5.071 4.527 0.000 0.000 0.295 455 F C 0.575 176.432 175.800 0.095 0.000 1.052 455 F CA 0.109 58.375 58.000 0.444 0.000 1.239 455 F CB -0.092 39.056 39.000 0.247 0.000 1.018 455 F HN 0.702 nan 8.300 nan 0.000 0.627 456 c N 1.455 119.936 118.600 -0.197 0.000 2.401 456 c HA 0.431 5.001 4.570 0.001 0.000 0.356 456 c C 1.031 175.008 174.090 -0.188 0.000 1.192 456 c CA -0.549 55.547 56.329 -0.388 0.000 2.028 456 c CB 1.419 43.804 42.510 -0.209 0.000 2.344 456 c HN 0.390 nan 8.230 nan 0.000 0.525 457 D N 0.637 120.912 120.400 -0.209 0.000 2.584 457 D HA -0.012 4.628 4.640 0.001 0.000 0.254 457 D C 1.800 178.070 176.300 -0.049 0.000 1.085 457 D CA 1.255 55.195 54.000 -0.101 0.000 0.971 457 D CB -0.360 40.366 40.800 -0.124 0.000 1.103 457 D HN 0.659 nan 8.370 nan 0.000 0.453 458 S N -0.259 115.403 115.700 -0.063 0.000 2.614 458 S HA 0.204 4.674 4.470 0.001 0.000 0.230 458 S C 0.510 175.093 174.600 -0.028 0.000 0.952 458 S CA -0.254 57.924 58.200 -0.037 0.000 0.949 458 S CB -0.074 63.103 63.200 -0.037 0.000 0.786 458 S HN 0.108 nan 8.310 nan 0.000 0.478 459 E N 1.295 121.476 120.200 -0.032 0.000 2.939 459 E HA 0.311 4.662 4.350 0.001 0.000 0.215 459 E C -0.871 175.739 176.600 0.017 0.000 1.025 459 E CA -0.336 56.057 56.400 -0.011 0.000 1.259 459 E CB 0.252 29.940 29.700 -0.020 0.000 1.228 459 E HN 0.318 nan 8.360 nan 0.000 0.443 460 N N 0.750 119.464 118.700 0.024 0.000 2.432 460 N HA 0.423 5.164 4.740 0.001 0.000 0.292 460 N C -1.046 174.489 175.510 0.042 0.000 1.193 460 N CA -0.490 52.591 53.050 0.051 0.000 0.878 460 N CB 1.836 40.368 38.487 0.074 0.000 1.252 460 N HN 0.050 nan 8.380 nan 0.000 0.520 461 S N -0.821 114.915 115.700 0.060 0.000 2.562 461 S HA 0.406 4.877 4.470 0.001 0.000 0.274 461 S C -1.036 173.612 174.600 0.080 0.000 1.160 461 S CA -0.931 57.303 58.200 0.056 0.000 0.933 461 S CB 1.894 65.119 63.200 0.042 0.000 1.100 461 S HN 0.591 nan 8.310 nan 0.000 0.468 465 E N 1.650 121.843 120.200 -0.011 0.000 2.266 465 E HA 0.918 5.268 4.350 0.001 0.000 0.268 465 E C -0.653 175.899 176.600 -0.079 0.000 0.879 465 E CA -1.345 55.002 56.400 -0.089 0.000 0.762 465 E CB 2.152 31.911 29.700 0.098 0.000 1.199 465 E HN 0.644 nan 8.360 nan 0.000 0.422 466 A N 1.651 124.359 122.820 -0.186 0.000 2.608 466 A HA 0.660 4.981 4.320 0.001 0.000 0.292 466 A C -1.840 175.693 177.584 -0.084 0.000 1.066 466 A CA -0.851 51.087 52.037 -0.166 0.000 0.676 466 A CB 0.892 19.656 19.000 -0.392 0.000 1.277 466 A HN 0.790 nan 8.150 nan 0.000 0.413 467 Y N -1.309 118.924 120.300 -0.112 0.000 2.829 467 Y HA 0.840 5.390 4.550 0.000 0.000 0.322 467 Y C -0.513 175.331 175.900 -0.095 0.000 1.357 467 Y CA -1.086 56.945 58.100 -0.115 0.000 1.081 467 Y CB 0.845 39.265 38.460 -0.067 0.000 1.339 467 Y HN 1.284 nan 8.280 nan 0.000 0.469 468 V N -1.577 118.383 119.914 0.077 0.000 2.864 468 V HA 0.823 4.944 4.120 0.001 0.000 0.314 468 V C -0.746 175.476 176.094 0.215 0.000 1.073 468 V CA -0.696 61.622 62.300 0.029 0.000 0.956 468 V CB 1.748 33.473 31.823 -0.164 0.000 1.023 468 V HN 1.006 nan 8.190 nan 0.000 0.435 469 E N 1.908 122.236 120.200 0.213 0.000 2.504 469 E HA 0.661 5.011 4.350 0.001 0.000 0.235 469 E C -1.274 175.452 176.600 0.209 0.000 0.827 469 E CA -1.122 55.414 56.400 0.227 0.000 0.903 469 E CB 2.015 31.857 29.700 0.237 0.000 1.622 469 E HN 0.659 nan 8.360 nan 0.000 0.392 470 L N 0.611 121.938 121.223 0.173 0.000 2.399 470 L HA 0.353 4.694 4.340 0.001 0.000 0.265 470 L C 0.487 177.465 176.870 0.179 0.000 1.089 470 L CA -0.531 54.401 54.840 0.155 0.000 0.802 470 L CB 1.376 43.496 42.059 0.103 0.000 1.180 470 L HN 0.344 nan 8.230 nan 0.000 0.454 471 S N 0.487 116.295 115.700 0.180 0.000 2.593 471 S HA 0.249 4.719 4.470 0.001 0.000 0.269 471 S C 1.176 175.907 174.600 0.218 0.000 1.334 471 S CA 0.060 58.397 58.200 0.228 0.000 1.015 471 S CB 1.340 64.683 63.200 0.238 0.000 0.912 471 S HN 0.695 nan 8.310 nan 0.000 0.541 472 A N 2.380 125.356 122.820 0.261 0.000 2.131 472 A HA -0.059 4.261 4.320 0.001 0.000 0.220 472 A C 1.056 178.722 177.584 0.137 0.000 1.158 472 A CA 1.689 53.833 52.037 0.177 0.000 0.665 472 A CB -0.323 18.728 19.000 0.085 0.000 0.795 472 A HN 0.825 nan 8.150 nan 0.000 0.460 473 D N -2.548 117.952 120.400 0.166 0.000 2.503 473 D HA 0.123 4.764 4.640 0.001 0.000 0.218 473 D C 1.120 177.507 176.300 0.145 0.000 1.183 473 D CA -0.173 53.909 54.000 0.137 0.000 0.827 473 D CB -0.579 40.317 40.800 0.159 0.000 1.034 473 D HN 0.296 nan 8.370 nan 0.000 0.510 474 c N 1.281 119.968 118.600 0.144 0.000 2.392 474 c HA -0.225 4.345 4.570 0.001 0.000 0.276 474 c C 2.815 176.997 174.090 0.153 0.000 1.212 474 c CA 1.675 58.076 56.329 0.121 0.000 1.791 474 c CB -0.743 41.811 42.510 0.074 0.000 2.063 474 c HN 0.462 nan 8.230 nan 0.000 0.481 475 A N -1.535 121.360 122.820 0.125 0.000 1.898 475 A HA -0.148 4.172 4.320 0.001 0.000 0.216 475 A C 2.341 180.065 177.584 0.232 0.000 1.181 475 A CA 2.119 54.241 52.037 0.141 0.000 0.620 475 A CB -0.897 18.138 19.000 0.059 0.000 0.819 475 A HN 0.523 nan 8.150 nan 0.000 0.442 476 S N -1.207 114.569 115.700 0.127 0.000 2.453 476 S HA -0.054 4.416 4.470 0.001 0.000 0.231 476 S C 0.038 174.651 174.600 0.021 0.000 1.005 476 S CA 0.955 59.191 58.200 0.061 0.000 0.949 476 S CB -0.169 63.044 63.200 0.022 0.000 0.774 476 S HN 0.556 nan 8.310 nan 0.000 0.510 477 D N 0.757 121.202 120.400 0.074 0.000 2.336 477 D HA 0.249 4.889 4.640 0.001 0.000 0.248 477 D C -0.471 175.887 176.300 0.098 0.000 1.326 477 D CA -0.539 53.497 54.000 0.061 0.000 0.973 477 D CB 0.448 41.378 40.800 0.216 0.000 1.255 477 D HN 0.551 nan 8.370 nan 0.000 0.558 478 H N 0.364 119.387 119.070 -0.080 0.000 3.199 478 H HA 0.936 5.492 4.556 0.001 0.000 0.292 478 H C -1.319 173.848 175.328 -0.268 0.000 1.600 478 H CA -1.194 54.670 56.048 -0.306 0.000 1.235 478 H CB 0.940 30.547 29.762 -0.258 0.000 1.839 478 H HN 0.262 nan 8.280 nan 0.000 0.623 479 A N -0.094 122.673 122.820 -0.088 0.000 2.524 479 A HA 0.527 4.847 4.320 0.001 0.000 0.286 479 A C -1.466 176.151 177.584 0.056 0.000 1.203 479 A CA -0.891 51.168 52.037 0.036 0.000 0.736 479 A CB 2.018 21.138 19.000 0.200 0.000 1.322 479 A HN 0.648 nan 8.150 nan 0.000 0.424 480 Q N 0.229 120.032 119.800 0.006 0.000 2.337 480 Q HA 0.546 4.886 4.340 0.001 0.000 0.260 480 Q C -0.620 175.197 176.000 -0.305 0.000 0.982 480 Q CA -0.599 55.136 55.803 -0.114 0.000 0.734 480 Q CB 1.973 30.683 28.738 -0.048 0.000 1.272 480 Q HN 0.991 nan 8.270 nan 0.000 0.461 481 A N 3.767 126.194 122.820 -0.655 0.000 2.488 481 A HA 0.559 4.879 4.320 0.001 0.000 0.249 481 A C -0.260 176.772 177.584 -0.920 0.000 1.083 481 A CA 0.261 51.457 52.037 -1.403 0.000 0.768 481 A CB 0.133 17.645 19.000 -2.480 0.000 1.017 481 A HN 0.776 nan 8.150 nan 0.000 0.496 482 I N 2.838 123.071 120.570 -0.561 0.000 2.611 482 I HA 0.169 4.340 4.170 0.001 0.000 0.287 482 I C -0.298 175.931 176.117 0.186 0.000 1.184 482 I CA -0.468 60.788 61.300 -0.072 0.000 1.054 482 I CB 2.018 39.971 38.000 -0.079 0.000 1.257 482 I HN 0.654 nan 8.210 nan 0.000 0.435 483 K N 4.560 125.030 120.400 0.116 0.000 2.202 483 K HA 0.619 4.940 4.320 0.001 0.000 0.264 483 K C -0.815 175.749 176.600 -0.059 0.000 1.010 483 K CA -0.599 55.644 56.287 -0.073 0.000 0.940 483 K CB 2.222 34.630 32.500 -0.153 0.000 0.983 483 K HN 0.237 nan 8.250 nan 0.000 0.475 484 V N 2.959 122.830 119.914 -0.072 0.000 2.445 484 V HA 0.085 4.206 4.120 0.001 0.000 0.283 484 V C -0.885 175.287 176.094 0.131 0.000 1.014 484 V CA -0.771 61.523 62.300 -0.010 0.000 0.852 484 V CB 0.932 32.709 31.823 -0.077 0.000 1.021 484 V HN 0.706 nan 8.190 nan 0.000 0.435 485 H N 2.419 121.504 119.070 0.026 0.000 2.496 485 H HA 0.600 5.156 4.556 0.001 0.000 0.342 485 H C 0.593 175.942 175.328 0.034 0.000 1.170 485 H CA -0.026 56.060 56.048 0.065 0.000 1.274 485 H CB 1.591 31.400 29.762 0.078 0.000 1.538 485 H HN 0.643 nan 8.280 nan 0.000 0.542 486 T N 1.532 115.742 114.554 -0.574 0.000 2.906 486 T HA 0.347 4.697 4.350 0.001 0.000 0.329 486 T C 0.465 175.067 174.700 -0.162 0.000 1.091 486 T CA 0.588 62.492 62.100 -0.328 0.000 1.127 486 T CB 0.221 68.864 68.868 -0.374 0.000 1.035 486 T HN 0.694 nan 8.240 nan 0.000 0.547 487 A N 1.000 123.778 122.820 -0.069 0.000 2.869 487 A HA 0.945 5.266 4.320 0.001 0.000 0.244 487 A C 0.104 177.702 177.584 0.023 0.000 1.374 487 A CA -0.268 51.762 52.037 -0.012 0.000 0.913 487 A CB 0.569 19.581 19.000 0.018 0.000 1.589 487 A HN 1.165 nan 8.150 nan 0.000 0.485 491 V N 0.363 120.164 119.914 -0.187 0.000 2.851 491 V HA 0.443 4.563 4.120 0.001 0.000 0.307 491 V C -0.133 175.887 176.094 -0.123 0.000 1.129 491 V CA -0.839 61.387 62.300 -0.124 0.000 0.932 491 V CB 1.996 33.739 31.823 -0.132 0.000 1.024 491 V HN 0.883 nan 8.190 nan 0.000 0.426 492 G N 4.768 113.551 108.800 -0.029 0.000 2.639 492 G HA2 0.505 4.465 3.960 0.001 0.000 0.312 492 G HA3 0.505 4.465 3.960 0.001 0.000 0.312 492 G C -0.437 174.332 174.900 -0.220 0.000 0.911 492 G CA -0.216 44.922 45.100 0.064 0.000 1.410 492 G HN 0.529 nan 8.290 nan 0.000 0.469 493 L N 2.643 123.451 121.223 -0.691 0.000 2.276 493 L HA 0.459 4.799 4.340 0.001 0.000 0.286 493 L C 0.465 176.898 176.870 -0.727 0.000 1.061 493 L CA -0.696 53.833 54.840 -0.518 0.000 0.807 493 L CB 1.451 43.283 42.059 -0.377 0.000 1.177 493 L HN 0.340 nan 8.230 nan 0.000 0.429 494 R N 4.988 125.410 120.500 -0.131 0.000 2.320 494 R HA 0.457 4.798 4.340 0.001 0.000 0.319 494 R C -1.299 175.042 176.300 0.068 0.000 0.969 494 R CA -0.663 55.521 56.100 0.139 0.000 0.857 494 R CB 0.784 31.350 30.300 0.443 0.000 1.160 494 R HN 0.446 nan 8.270 nan 0.000 0.491 495 I N 3.810 124.397 120.570 0.028 0.000 2.392 495 I HA 0.349 4.519 4.170 0.001 0.000 0.295 495 I C -0.157 176.031 176.117 0.118 0.000 0.985 495 I CA -0.836 60.479 61.300 0.025 0.000 1.221 495 I CB 1.990 39.943 38.000 -0.078 0.000 1.366 495 I HN 0.111 nan 8.210 nan 0.000 0.467 496 V N 6.489 126.488 119.914 0.140 0.000 2.487 496 V HA 0.479 4.599 4.120 0.001 0.000 0.298 496 V C -1.111 175.142 176.094 0.266 0.000 1.028 496 V CA -0.712 61.717 62.300 0.216 0.000 0.860 496 V CB 1.324 33.209 31.823 0.103 0.000 0.991 496 V HN 0.654 nan 8.190 nan 0.000 0.427 497 Y N 2.352 122.611 120.300 -0.069 0.000 2.329 497 Y HA 0.769 5.319 4.550 0.001 0.000 0.328 497 Y C 0.734 176.552 175.900 -0.137 0.000 0.992 497 Y CA -0.393 57.633 58.100 -0.124 0.000 1.151 497 Y CB 1.519 39.880 38.460 -0.164 0.000 1.150 497 Y HN 0.978 nan 8.280 nan 0.000 0.450 498 G N 3.494 112.216 108.800 -0.130 0.000 2.622 498 G HA2 -0.445 3.515 3.960 0.001 0.000 0.307 498 G HA3 -0.445 3.515 3.960 0.001 0.000 0.307 498 G C 0.370 175.163 174.900 -0.179 0.000 1.226 498 G CA 1.002 45.996 45.100 -0.178 0.000 0.997 498 G HN 0.726 nan 8.290 nan 0.000 0.551 499 N N 1.776 120.353 118.700 -0.205 0.000 2.521 499 N HA 0.219 4.959 4.740 0.001 0.000 0.188 499 N C 0.820 176.220 175.510 -0.183 0.000 1.146 499 N CA 1.520 54.478 53.050 -0.153 0.000 0.893 499 N CB 0.142 38.558 38.487 -0.117 0.000 0.975 499 N HN 0.976 nan 8.380 nan 0.000 0.451 500 T N -2.598 111.765 114.554 -0.318 0.000 2.863 500 T HA 0.577 4.928 4.350 0.001 0.000 0.285 500 T C -0.144 174.455 174.700 -0.168 0.000 1.009 500 T CA -0.958 60.964 62.100 -0.297 0.000 0.989 500 T CB 2.103 70.711 68.868 -0.433 0.000 1.004 500 T HN 0.040 nan 8.240 nan 0.000 0.455 501 T N -0.548 114.013 114.554 0.013 0.000 2.812 501 T HA 0.712 5.063 4.350 0.001 0.000 0.282 501 T C -0.450 174.362 174.700 0.187 0.000 0.990 501 T CA -0.622 61.561 62.100 0.139 0.000 0.960 501 T CB 1.576 70.498 68.868 0.089 0.000 0.948 501 T HN 0.735 nan 8.240 nan 0.000 0.438 502 S N 2.509 118.359 115.700 0.250 0.000 2.671 502 S HA 0.857 5.327 4.470 0.001 0.000 0.299 502 S C -1.889 172.839 174.600 0.213 0.000 1.116 502 S CA -0.870 57.457 58.200 0.212 0.000 0.912 502 S CB 1.363 64.688 63.200 0.207 0.000 1.130 502 S HN 0.766 nan 8.310 nan 0.000 0.501 503 F N 3.196 123.167 119.950 0.035 0.000 2.585 503 F HA 0.633 5.160 4.527 0.001 0.000 0.319 503 F C -1.737 174.067 175.800 0.007 0.000 1.165 503 F CA -0.877 57.133 58.000 0.015 0.000 0.949 503 F CB 1.091 40.100 39.000 0.015 0.000 1.218 503 F HN 0.549 nan 8.300 nan 0.000 0.453 504 L N 2.353 123.268 121.223 -0.512 0.000 2.370 504 L HA 0.755 5.095 4.340 0.001 0.000 0.266 504 L C -1.405 175.181 176.870 -0.473 0.000 1.002 504 L CA -0.783 53.885 54.840 -0.287 0.000 0.818 504 L CB 1.622 43.585 42.059 -0.161 0.000 1.325 504 L HN 0.359 nan 8.230 nan 0.000 0.418 505 D N 0.827 121.131 120.400 -0.160 0.000 2.264 505 D HA 0.638 5.278 4.640 0.001 0.000 0.249 505 D C -0.809 175.428 176.300 -0.105 0.000 1.070 505 D CA -0.019 53.904 54.000 -0.130 0.000 0.912 505 D CB 2.161 42.954 40.800 -0.013 0.000 1.193 505 D HN 0.613 nan 8.370 nan 0.000 0.427 506 V N 2.948 122.782 119.914 -0.133 0.000 2.711 506 V HA 0.293 4.414 4.120 0.001 0.000 0.304 506 V C -1.536 174.511 176.094 -0.078 0.000 1.097 506 V CA -0.659 61.608 62.300 -0.056 0.000 0.906 506 V CB 0.746 32.527 31.823 -0.071 0.000 1.015 506 V HN 0.504 nan 8.190 nan 0.000 0.427 507 Y N 4.243 124.518 120.300 -0.042 0.000 2.497 507 Y HA 0.265 4.816 4.550 0.001 0.000 0.334 507 Y C 0.848 176.721 175.900 -0.045 0.000 1.199 507 Y CA 0.244 58.324 58.100 -0.034 0.000 1.425 507 Y CB 1.140 39.586 38.460 -0.024 0.000 1.291 507 Y HN 0.442 nan 8.280 nan 0.000 0.562 508 V N 5.472 125.428 119.914 0.071 0.000 2.221 508 V HA 0.194 4.314 4.120 0.001 0.000 0.258 508 V C -0.653 175.458 176.094 0.028 0.000 1.179 508 V CA -0.356 61.953 62.300 0.013 0.000 1.022 508 V CB -1.170 30.630 31.823 -0.037 0.000 1.228 508 V HN 0.811 nan 8.190 nan 0.000 0.487 509 N N 2.281 120.999 118.700 0.029 0.000 2.494 509 N HA 0.332 5.072 4.740 0.001 0.000 0.270 509 N C 0.793 176.299 175.510 -0.006 0.000 1.285 509 N CA -0.388 52.669 53.050 0.011 0.000 0.812 509 N CB 1.556 40.055 38.487 0.019 0.000 1.557 509 N HN 0.158 nan 8.380 nan 0.000 0.487 510 G N -1.021 107.770 108.800 -0.015 0.000 2.740 510 G HA2 0.067 4.027 3.960 0.001 0.000 0.208 510 G HA3 0.067 4.027 3.960 0.001 0.000 0.208 510 G C 0.743 175.628 174.900 -0.024 0.000 1.148 510 G CA 1.332 46.417 45.100 -0.024 0.000 0.795 510 G HN 0.636 nan 8.290 nan 0.000 0.526 511 V N -3.599 116.303 119.914 -0.019 0.000 3.444 511 V HA 0.297 4.417 4.120 0.001 0.000 0.210 511 V C 1.109 177.191 176.094 -0.020 0.000 1.217 511 V CA 0.442 62.729 62.300 -0.022 0.000 1.302 511 V CB -0.518 31.289 31.823 -0.026 0.000 1.341 511 V HN -0.080 nan 8.190 nan 0.000 0.522 512 T N 4.849 119.392 114.554 -0.018 0.000 2.792 512 T HA 0.320 4.670 4.350 0.001 0.000 0.286 512 T C -2.423 172.280 174.700 0.006 0.000 0.970 512 T CA 0.170 62.259 62.100 -0.018 0.000 1.187 512 T CB 0.295 69.138 68.868 -0.042 0.000 0.915 512 T HN 0.512 nan 8.240 nan 0.000 0.529 513 P HA 0.316 nan 4.420 nan 0.000 0.285 513 P C 0.240 177.543 177.300 0.005 0.000 1.259 513 P CA -0.535 62.560 63.100 -0.008 0.000 0.794 513 P CB 0.688 32.379 31.700 -0.015 0.000 0.940 514 G N 1.647 110.443 108.800 -0.007 0.000 2.494 514 G HA2 0.189 4.149 3.960 0.001 0.000 0.297 514 G HA3 0.189 4.149 3.960 0.001 0.000 0.297 514 G C 0.625 175.523 174.900 -0.004 0.000 0.971 514 G CA -0.316 44.781 45.100 -0.004 0.000 1.378 514 G HN 0.509 nan 8.290 nan 0.000 0.456 515 T N 0.196 114.759 114.554 0.015 0.000 4.496 515 T HA 0.085 4.435 4.350 0.001 0.000 0.248 515 T C 1.023 175.735 174.700 0.020 0.000 0.797 515 T CA -0.151 61.959 62.100 0.015 0.000 1.100 515 T CB -0.288 68.592 68.868 0.021 0.000 1.356 515 T HN 0.272 nan 8.240 nan 0.000 0.727 516 S N 1.292 116.998 115.700 0.010 0.000 2.531 516 S HA 0.150 4.621 4.470 0.001 0.000 0.279 516 S C 1.558 176.171 174.600 0.023 0.000 1.305 516 S CA -0.857 57.355 58.200 0.019 0.000 1.058 516 S CB 0.532 63.732 63.200 -0.001 0.000 0.899 516 S HN 0.413 nan 8.310 nan 0.000 0.493 517 K N 3.535 123.957 120.400 0.036 0.000 1.991 517 K HA -0.097 4.223 4.320 0.001 0.000 0.212 517 K C 1.023 177.647 176.600 0.040 0.000 1.049 517 K CA 1.733 58.042 56.287 0.036 0.000 0.932 517 K CB -0.478 32.047 32.500 0.040 0.000 0.717 517 K HN 0.583 nan 8.250 nan 0.000 0.441 518 D N -0.393 120.039 120.400 0.054 0.000 2.349 518 D HA 0.133 4.774 4.640 0.001 0.000 0.215 518 D C -0.254 176.079 176.300 0.055 0.000 1.016 518 D CA 0.241 54.284 54.000 0.072 0.000 0.870 518 D CB 0.416 41.282 40.800 0.110 0.000 0.917 518 D HN -0.046 nan 8.370 nan 0.000 0.524 519 L N 0.852 122.082 121.223 0.012 0.000 2.441 519 L HA 0.349 4.690 4.340 0.001 0.000 0.270 519 L C -0.914 175.925 176.870 -0.051 0.000 0.973 519 L CA -0.675 54.135 54.840 -0.052 0.000 0.842 519 L CB 1.656 43.633 42.059 -0.137 0.000 1.239 519 L HN -0.334 nan 8.230 nan 0.000 0.406 520 K N 4.260 124.633 120.400 -0.045 0.000 2.250 520 K HA 0.458 4.778 4.320 0.001 0.000 0.280 520 K C -0.918 175.646 176.600 -0.059 0.000 1.098 520 K CA -0.399 55.864 56.287 -0.040 0.000 0.916 520 K CB 1.649 34.135 32.500 -0.024 0.000 1.209 520 K HN 0.220 nan 8.250 nan 0.000 0.461 521 V N 4.959 124.833 119.914 -0.067 0.000 2.581 521 V HA 0.479 4.599 4.120 0.001 0.000 0.303 521 V C -0.126 175.931 176.094 -0.061 0.000 1.041 521 V CA -0.854 61.399 62.300 -0.077 0.000 0.907 521 V CB 1.740 33.501 31.823 -0.103 0.000 0.994 521 V HN 0.627 nan 8.190 nan 0.000 0.442 522 I N 3.235 123.768 120.570 -0.063 0.000 2.447 522 I HA 0.598 4.768 4.170 0.001 0.000 0.287 522 I C 0.054 176.133 176.117 -0.063 0.000 1.023 522 I CA -0.674 60.595 61.300 -0.051 0.000 1.083 522 I CB 1.964 39.937 38.000 -0.045 0.000 1.245 522 I HN 0.671 nan 8.210 nan 0.000 0.434 523 A N 5.449 128.235 122.820 -0.057 0.000 2.294 523 A HA 0.668 4.989 4.320 0.001 0.000 0.316 523 A C 0.614 178.163 177.584 -0.058 0.000 1.359 523 A CA -0.340 51.654 52.037 -0.071 0.000 0.956 523 A CB 0.171 19.123 19.000 -0.080 0.000 1.155 523 A HN 0.850 nan 8.150 nan 0.000 0.544 524 G N 2.728 111.487 108.800 -0.068 0.000 2.794 524 G HA2 0.375 4.335 3.960 0.001 0.000 0.249 524 G HA3 0.375 4.335 3.960 0.001 0.000 0.249 524 G C -2.625 172.243 174.900 -0.053 0.000 1.236 524 G CA -0.808 44.258 45.100 -0.058 0.000 0.880 524 G HN 0.507 nan 8.290 nan 0.000 0.586 525 P HA 0.085 nan 4.420 nan 0.000 0.267 525 P C 0.387 177.658 177.300 -0.049 0.000 1.209 525 P CA -0.435 62.646 63.100 -0.033 0.000 0.763 525 P CB 0.650 32.337 31.700 -0.022 0.000 0.816 526 I N 3.098 123.635 120.570 -0.055 0.000 3.058 526 I HA -0.170 4.000 4.170 0.001 0.000 0.299 526 I C 1.518 177.596 176.117 -0.065 0.000 1.238 526 I CA 0.942 62.188 61.300 -0.089 0.000 1.423 526 I CB 0.487 38.424 38.000 -0.105 0.000 1.330 526 I HN 0.440 nan 8.210 nan 0.000 0.589 527 S N 4.939 120.584 115.700 -0.092 0.000 2.453 527 S HA 0.289 4.759 4.470 0.001 0.000 0.231 527 S C 0.585 175.180 174.600 -0.010 0.000 1.005 527 S CA 0.307 58.473 58.200 -0.056 0.000 0.949 527 S CB -0.294 62.861 63.200 -0.075 0.000 0.774 527 S HN 1.082 nan 8.310 nan 0.000 0.510 528 A N 1.665 124.497 122.820 0.020 0.000 2.497 528 A HA 0.605 4.925 4.320 0.001 0.000 0.280 528 A C -0.130 177.578 177.584 0.206 0.000 1.065 528 A CA -0.595 51.504 52.037 0.104 0.000 0.781 528 A CB 0.862 19.934 19.000 0.121 0.000 1.289 528 A HN 0.543 nan 8.150 nan 0.000 0.415 529 S N 1.610 117.408 115.700 0.163 0.000 2.506 529 S HA 0.445 4.916 4.470 0.001 0.000 0.291 529 S C -0.440 174.316 174.600 0.260 0.000 1.230 529 S CA 0.147 58.456 58.200 0.181 0.000 1.107 529 S CB -0.444 62.814 63.200 0.097 0.000 0.942 529 S HN 1.302 nan 8.310 nan 0.000 0.502 530 F N 2.253 122.289 119.950 0.143 0.000 2.565 530 F HA 0.676 5.203 4.527 0.001 0.000 0.313 530 F C -0.439 175.334 175.800 -0.045 0.000 1.091 530 F CA -0.382 57.602 58.000 -0.027 0.000 0.915 530 F CB 2.186 40.981 39.000 -0.342 0.000 1.208 530 F HN 0.601 nan 8.300 nan 0.000 0.453 531 T N 5.676 119.492 114.554 -1.230 0.000 2.909 531 T HA 0.489 4.840 4.350 0.001 0.000 0.299 531 T C -2.422 171.522 174.700 -1.259 0.000 1.073 531 T CA -1.934 59.611 62.100 -0.924 0.000 0.999 531 T CB 2.021 70.747 68.868 -0.237 0.000 1.098 531 T HN 0.454 nan 8.240 nan 0.000 0.477 532 P HA 0.223 nan 4.420 nan 0.000 0.231 532 P C -0.319 176.603 177.300 -0.629 0.000 1.168 532 P CA 0.424 63.078 63.100 -0.743 0.000 0.779 532 P CB 0.023 31.170 31.700 -0.921 0.000 0.844 533 F N -0.160 119.700 119.950 -0.151 0.000 2.450 533 F HA 0.413 4.940 4.527 0.001 0.000 0.328 533 F C 0.923 176.703 175.800 -0.033 0.000 1.068 533 F CA -0.952 57.014 58.000 -0.056 0.000 1.007 533 F CB 0.418 39.400 39.000 -0.030 0.000 1.251 533 F HN -0.336 nan 8.300 nan 0.000 0.492 534 D N -1.176 119.354 120.400 0.218 0.000 2.326 534 D HA 0.117 4.757 4.640 0.001 0.000 0.251 534 D C 0.890 177.289 176.300 0.165 0.000 1.023 534 D CA -0.300 53.792 54.000 0.153 0.000 0.966 534 D CB 0.865 41.736 40.800 0.118 0.000 1.156 534 D HN 0.669 nan 8.370 nan 0.000 0.494 535 H N 0.835 119.943 119.070 0.064 0.000 2.437 535 H HA -0.115 4.442 4.556 0.001 0.000 0.296 535 H C -0.171 175.177 175.328 0.034 0.000 1.121 535 H CA 1.720 57.800 56.048 0.053 0.000 1.255 535 H CB 0.347 30.120 29.762 0.018 0.000 1.366 535 H HN 0.041 nan 8.280 nan 0.000 0.512 536 K N 0.098 120.416 120.400 -0.137 0.000 2.345 536 K HA 0.530 4.851 4.320 0.001 0.000 0.255 536 K C -1.627 175.035 176.600 0.105 0.000 0.934 536 K CA -0.850 55.322 56.287 -0.193 0.000 0.801 536 K CB 2.819 34.966 32.500 -0.588 0.000 1.137 536 K HN -0.052 nan 8.250 nan 0.000 0.424 537 V N 2.950 123.061 119.914 0.329 0.000 2.888 537 V HA 0.395 4.515 4.120 0.001 0.000 0.309 537 V C -0.871 175.403 176.094 0.301 0.000 1.114 537 V CA -0.934 61.552 62.300 0.309 0.000 0.940 537 V CB 2.333 34.280 31.823 0.207 0.000 1.021 537 V HN 0.453 nan 8.190 nan 0.000 0.426 538 V N 4.955 125.022 119.914 0.255 0.000 2.581 538 V HA 0.569 4.689 4.120 0.001 0.000 0.303 538 V C -0.367 175.858 176.094 0.218 0.000 1.041 538 V CA -0.530 61.823 62.300 0.087 0.000 0.907 538 V CB 1.932 33.636 31.823 -0.198 0.000 0.994 538 V HN 0.652 nan 8.190 nan 0.000 0.442 539 I N 3.120 123.778 120.570 0.147 0.000 2.382 539 I HA 0.366 4.537 4.170 0.001 0.000 0.286 539 I C 0.557 176.832 176.117 0.263 0.000 1.002 539 I CA -0.375 61.047 61.300 0.203 0.000 1.135 539 I CB 1.519 39.575 38.000 0.094 0.000 1.288 539 I HN 0.803 nan 8.210 nan 0.000 0.448 540 H N 5.999 125.293 119.070 0.374 0.000 2.366 540 H HA 0.211 4.767 4.556 0.001 0.000 0.330 540 H C 1.839 177.282 175.328 0.191 0.000 1.142 540 H CA 1.403 57.680 56.048 0.381 0.000 1.655 540 H CB 0.478 30.605 29.762 0.609 0.000 1.519 540 H HN 0.472 nan 8.280 nan 0.000 0.609 541 R N -1.292 119.457 120.500 0.416 0.000 1.981 541 R HA 0.214 4.554 4.340 0.001 0.000 0.207 541 R C 1.780 178.146 176.300 0.110 0.000 1.375 541 R CA 0.982 57.201 56.100 0.198 0.000 1.068 541 R CB -0.304 30.183 30.300 0.312 0.000 0.890 541 R HN 0.527 nan 8.270 nan 0.000 0.481 542 G N -0.424 108.445 108.800 0.116 0.000 3.324 542 G HA2 0.249 4.209 3.960 0.001 0.000 0.251 542 G HA3 0.249 4.209 3.960 0.001 0.000 0.251 542 G C -0.615 174.318 174.900 0.055 0.000 1.072 542 G CA -0.225 44.915 45.100 0.066 0.000 0.787 542 G HN -0.026 nan 8.290 nan 0.000 0.537 543 L N 1.106 122.381 121.223 0.087 0.000 2.322 543 L HA 0.618 4.959 4.340 0.001 0.000 0.281 543 L C -0.126 176.689 176.870 -0.091 0.000 1.014 543 L CA -1.082 53.728 54.840 -0.051 0.000 0.815 543 L CB 2.219 44.232 42.059 -0.076 0.000 1.247 543 L HN -0.086 nan 8.230 nan 0.000 0.421 544 V N 2.204 121.987 119.914 -0.218 0.000 2.513 544 V HA 0.641 4.762 4.120 0.001 0.000 0.299 544 V C -1.331 174.606 176.094 -0.262 0.000 1.035 544 V CA -0.329 61.932 62.300 -0.066 0.000 0.889 544 V CB 1.403 33.293 31.823 0.112 0.000 0.988 544 V HN 0.583 nan 8.190 nan 0.000 0.440 545 Y N 2.745 123.183 120.300 0.231 0.000 2.425 545 Y HA 0.476 5.026 4.550 0.001 0.000 0.344 545 Y C 0.452 176.500 175.900 0.246 0.000 0.969 545 Y CA -0.776 57.462 58.100 0.230 0.000 1.052 545 Y CB 1.639 40.278 38.460 0.298 0.000 1.215 545 Y HN 0.677 nan 8.280 nan 0.000 0.451 546 N N 2.524 121.434 118.700 0.351 0.000 2.416 546 N HA 0.111 4.851 4.740 0.001 0.000 0.265 546 N C -1.700 174.020 175.510 0.350 0.000 1.195 546 N CA 0.071 53.297 53.050 0.293 0.000 0.943 546 N CB 0.302 38.903 38.487 0.190 0.000 1.115 546 N HN 0.486 nan 8.380 nan 0.000 0.481 547 Y N 1.515 121.907 120.300 0.153 0.000 2.401 547 Y HA 0.156 4.706 4.550 0.001 0.000 0.330 547 Y C -1.001 174.913 175.900 0.022 0.000 1.071 547 Y CA -1.215 56.944 58.100 0.099 0.000 1.049 547 Y CB 1.271 39.759 38.460 0.048 0.000 1.239 547 Y HN 0.371 nan 8.280 nan 0.000 0.437 548 D N 6.579 126.647 120.400 -0.553 0.000 3.032 548 D HA 0.101 4.742 4.640 0.001 0.000 0.241 548 D C -0.254 175.696 176.300 -0.582 0.000 1.196 548 D CA 0.102 53.799 54.000 -0.506 0.000 0.927 548 D CB -1.019 39.589 40.800 -0.321 0.000 1.129 548 D HN 0.336 nan 8.370 nan 0.000 0.458 549 F N -0.035 119.724 119.950 -0.317 0.000 2.646 549 F HA 0.202 4.729 4.527 0.001 0.000 0.363 549 F C -1.994 173.914 175.800 0.181 0.000 1.143 549 F CA -1.918 56.137 58.000 0.092 0.000 1.356 549 F CB -0.725 38.513 39.000 0.397 0.000 1.055 549 F HN 0.014 nan 8.300 nan 0.000 0.606 550 P HA 0.047 nan 4.420 nan 0.000 0.274 550 P C -0.514 177.045 177.300 0.432 0.000 1.237 550 P CA -0.238 63.033 63.100 0.285 0.000 0.793 550 P CB 0.691 32.525 31.700 0.223 0.000 0.977 551 E N 0.553 120.908 120.200 0.258 0.000 2.418 551 E HA -0.050 4.300 4.350 0.001 0.000 0.261 551 E C -0.148 176.643 176.600 0.317 0.000 1.070 551 E CA -0.035 56.556 56.400 0.320 0.000 0.931 551 E CB -0.044 29.768 29.700 0.187 0.000 0.954 551 E HN 0.421 nan 8.360 nan 0.000 0.439 552 Y N 0.637 121.105 120.300 0.281 0.000 2.805 552 Y HA 0.084 4.634 4.550 0.001 0.000 0.331 552 Y C 1.440 177.338 175.900 -0.004 0.000 1.241 552 Y CA 1.801 59.942 58.100 0.069 0.000 1.546 552 Y CB 0.089 38.638 38.460 0.148 0.000 1.248 552 Y HN 0.703 nan 8.280 nan 0.000 0.559 553 G N 2.888 111.298 108.800 -0.650 0.000 2.199 553 G HA2 -0.196 3.764 3.960 0.001 0.000 0.254 553 G HA3 -0.196 3.764 3.960 0.001 0.000 0.254 553 G C 0.112 174.888 174.900 -0.205 0.000 0.982 553 G CA 0.139 44.967 45.100 -0.454 0.000 0.632 553 G HN 1.278 nan 8.290 nan 0.000 0.529 557 P HA 0.194 nan 4.420 nan 0.000 0.284 557 P C 0.623 177.984 177.300 0.101 0.000 1.258 557 P CA 0.291 63.421 63.100 0.050 0.000 0.824 557 P CB 1.195 32.906 31.700 0.018 0.000 1.038 558 G N 0.832 109.719 108.800 0.143 0.000 2.353 558 G HA2 -0.268 3.693 3.960 0.001 0.000 0.258 558 G HA3 -0.268 3.693 3.960 0.001 0.000 0.258 558 G C 0.511 175.531 174.900 0.199 0.000 1.013 558 G CA 0.446 45.650 45.100 0.173 0.000 0.622 558 G HN 0.910 nan 8.290 nan 0.000 0.535 559 A N -0.211 122.730 122.820 0.202 0.000 2.257 559 A HA 0.713 5.034 4.320 0.001 0.000 0.289 559 A C 0.184 177.975 177.584 0.346 0.000 1.095 559 A CA -0.030 52.176 52.037 0.282 0.000 0.836 559 A CB 0.422 19.577 19.000 0.259 0.000 1.111 559 A HN 1.378 nan 8.150 nan 0.000 0.497 560 F N 0.744 120.892 119.950 0.330 0.000 2.602 560 F HA 0.378 4.905 4.527 0.001 0.000 0.367 560 F C 1.406 177.372 175.800 0.276 0.000 1.126 560 F CA 1.467 59.644 58.000 0.295 0.000 1.321 560 F CB 0.316 39.441 39.000 0.208 0.000 1.094 560 F HN 1.234 nan 8.300 nan 0.000 0.594 561 G N 4.253 112.715 108.800 -0.562 0.000 2.147 561 G HA2 -0.353 3.607 3.960 0.001 0.000 0.244 561 G HA3 -0.353 3.607 3.960 0.001 0.000 0.244 561 G C 0.715 175.528 174.900 -0.145 0.000 1.005 561 G CA 0.474 45.391 45.100 -0.306 0.000 0.713 561 G HN 0.912 nan 8.290 nan 0.000 0.515 562 D N -0.022 120.342 120.400 -0.060 0.000 2.133 562 D HA -0.116 4.524 4.640 0.001 0.000 0.195 562 D C 1.567 177.808 176.300 -0.099 0.000 0.997 562 D CA 1.622 55.611 54.000 -0.018 0.000 0.840 562 D CB -0.173 40.684 40.800 0.095 0.000 0.947 562 D HN 1.188 nan 8.370 nan 0.000 0.452 563 I N -2.749 117.762 120.570 -0.098 0.000 2.693 563 I HA 0.490 4.661 4.170 0.001 0.000 0.303 563 I C -1.114 174.881 176.117 -0.204 0.000 1.025 563 I CA -0.923 60.297 61.300 -0.133 0.000 1.086 563 I CB 2.238 40.221 38.000 -0.028 0.000 1.268 563 I HN -0.203 nan 8.210 nan 0.000 0.440 564 Q N 4.044 123.706 119.800 -0.229 0.000 2.495 564 Q HA 0.887 5.227 4.340 0.001 0.000 0.287 564 Q C -1.503 174.494 176.000 -0.004 0.000 1.078 564 Q CA -1.314 54.347 55.803 -0.237 0.000 0.793 564 Q CB 2.678 31.041 28.738 -0.625 0.000 1.459 564 Q HN 0.974 nan 8.270 nan 0.000 0.422 565 A N -0.165 122.742 122.820 0.145 0.000 2.547 565 A HA 0.370 4.690 4.320 0.001 0.000 0.298 565 A C 0.242 177.901 177.584 0.126 0.000 1.062 565 A CA -0.418 51.703 52.037 0.138 0.000 0.748 565 A CB 0.654 19.680 19.000 0.043 0.000 1.288 565 A HN 0.772 nan 8.150 nan 0.000 0.396 566 T N -0.794 113.793 114.554 0.055 0.000 2.881 566 T HA 0.206 4.556 4.350 0.001 0.000 0.270 566 T C 0.987 175.665 174.700 -0.037 0.000 1.068 566 T CA 1.810 63.893 62.100 -0.028 0.000 1.131 566 T CB -0.129 68.677 68.868 -0.103 0.000 0.871 566 T HN 1.064 nan 8.240 nan 0.000 0.479 567 S N -1.280 114.398 115.700 -0.036 0.000 2.757 567 S HA 0.528 4.998 4.470 0.001 0.000 0.285 567 S C -0.069 174.484 174.600 -0.077 0.000 1.196 567 S CA -0.749 57.409 58.200 -0.070 0.000 0.856 567 S CB 0.748 63.907 63.200 -0.067 0.000 1.212 567 S HN 0.053 nan 8.310 nan 0.000 0.516 568 L N 1.867 123.025 121.223 -0.109 0.000 2.313 568 L HA 0.079 4.420 4.340 0.001 0.000 0.214 568 L C 2.061 178.905 176.870 -0.042 0.000 1.119 568 L CA 1.515 56.291 54.840 -0.106 0.000 0.809 568 L CB -2.111 39.863 42.059 -0.143 0.000 0.933 568 L HN 0.902 nan 8.230 nan 0.000 0.449 569 T N -2.039 112.496 114.554 -0.032 0.000 3.565 569 T HA 0.054 4.404 4.350 0.001 0.000 0.248 569 T C 0.972 175.672 174.700 0.001 0.000 1.033 569 T CA 0.394 62.489 62.100 -0.009 0.000 0.952 569 T CB -1.061 67.799 68.868 -0.012 0.000 1.072 569 T HN 0.421 nan 8.240 nan 0.000 0.609 570 S N 0.088 115.791 115.700 0.004 0.000 3.447 570 S HA -0.215 4.255 4.470 0.001 0.000 0.371 570 S C -0.126 174.484 174.600 0.017 0.000 0.951 570 S CA 0.438 58.650 58.200 0.019 0.000 1.269 570 S CB -2.291 60.931 63.200 0.036 0.000 0.919 570 S HN 0.863 nan 8.310 nan 0.000 0.516 571 K N 1.658 122.063 120.400 0.009 0.000 2.111 571 K HA 0.301 4.621 4.320 0.001 0.000 0.249 571 K C -0.198 176.419 176.600 0.028 0.000 1.157 571 K CA -0.141 56.150 56.287 0.006 0.000 1.048 571 K CB -0.416 32.075 32.500 -0.015 0.000 1.498 571 K HN 0.549 nan 8.250 nan 0.000 0.344 572 D N 1.622 122.045 120.400 0.038 0.000 3.187 572 D HA -0.133 4.507 4.640 0.001 0.000 0.244 572 D C -0.846 175.517 176.300 0.104 0.000 1.114 572 D CA 0.513 54.553 54.000 0.065 0.000 0.920 572 D CB -0.890 39.955 40.800 0.074 0.000 0.970 572 D HN 0.303 nan 8.370 nan 0.000 0.418 573 L N -0.430 120.832 121.223 0.065 0.000 2.281 573 L HA 0.599 4.940 4.340 0.001 0.000 0.285 573 L C 0.446 177.309 176.870 -0.012 0.000 1.074 573 L CA -0.710 54.156 54.840 0.044 0.000 0.817 573 L CB 0.225 42.305 42.059 0.034 0.000 1.168 573 L HN 0.302 nan 8.230 nan 0.000 0.434 574 I N 0.868 121.389 120.570 -0.082 0.000 2.382 574 I HA 0.964 5.134 4.170 0.001 0.000 0.285 574 I C -0.095 175.895 176.117 -0.212 0.000 1.007 574 I CA -0.733 60.466 61.300 -0.169 0.000 1.142 574 I CB 1.435 39.263 38.000 -0.285 0.000 1.289 574 I HN 0.782 nan 8.210 nan 0.000 0.453 575 A N 4.183 126.900 122.820 -0.171 0.000 2.354 575 A HA 0.831 5.151 4.320 0.001 0.000 0.321 575 A C -0.377 177.098 177.584 -0.180 0.000 1.125 575 A CA -0.709 51.217 52.037 -0.185 0.000 0.799 575 A CB 1.890 20.779 19.000 -0.186 0.000 1.293 575 A HN 0.732 nan 8.150 nan 0.000 0.452 576 S N 0.385 115.979 115.700 -0.176 0.000 2.652 576 S HA 0.448 4.918 4.470 0.001 0.000 0.252 576 S C 0.033 174.547 174.600 -0.143 0.000 1.219 576 S CA 0.258 58.372 58.200 -0.143 0.000 1.151 576 S CB 0.140 63.276 63.200 -0.106 0.000 1.080 576 S HN 1.445 nan 8.310 nan 0.000 0.481 577 T N 0.022 114.461 114.554 -0.192 0.000 3.266 577 T HA 0.300 4.650 4.350 0.001 0.000 0.278 577 T C -0.052 174.590 174.700 -0.097 0.000 1.010 577 T CA -0.225 61.751 62.100 -0.206 0.000 0.909 577 T CB -0.508 68.045 68.868 -0.526 0.000 1.122 577 T HN 0.481 nan 8.240 nan 0.000 0.536 578 D N 1.341 121.704 120.400 -0.062 0.000 2.720 578 D HA -0.137 4.504 4.640 0.001 0.000 0.229 578 D C -0.310 175.988 176.300 -0.004 0.000 1.198 578 D CA 0.520 54.507 54.000 -0.022 0.000 0.639 578 D CB -1.486 39.320 40.800 0.010 0.000 1.003 578 D HN 0.691 nan 8.370 nan 0.000 0.411 579 I N 0.327 120.877 120.570 -0.034 0.000 2.588 579 I HA 0.110 4.280 4.170 0.001 0.000 0.283 579 I C 0.985 177.117 176.117 0.024 0.000 1.119 579 I CA 0.271 61.574 61.300 0.005 0.000 1.419 579 I CB 0.705 38.654 38.000 -0.084 0.000 1.394 579 I HN -0.104 nan 8.210 nan 0.000 0.562 580 R N 6.399 126.956 120.500 0.094 0.000 2.468 580 R HA 0.442 4.782 4.340 0.001 0.000 0.302 580 R C -1.293 175.098 176.300 0.150 0.000 1.041 580 R CA -0.914 55.242 56.100 0.093 0.000 0.899 580 R CB 1.406 31.753 30.300 0.077 0.000 1.167 580 R HN 0.391 nan 8.270 nan 0.000 0.483 581 L N 4.428 125.744 121.223 0.154 0.000 2.397 581 L HA 0.402 4.742 4.340 0.001 0.000 0.271 581 L C 0.208 177.242 176.870 0.273 0.000 1.148 581 L CA 0.109 55.093 54.840 0.240 0.000 0.825 581 L CB 0.204 42.427 42.059 0.274 0.000 1.117 581 L HN 0.540 nan 8.230 nan 0.000 0.456 582 L N 2.324 123.614 121.223 0.111 0.000 2.354 582 L HA 0.431 4.771 4.340 0.001 0.000 0.269 582 L C 0.209 176.701 176.870 -0.630 0.000 1.005 582 L CA -1.013 53.747 54.840 -0.133 0.000 0.819 582 L CB 2.002 44.021 42.059 -0.066 0.000 1.311 582 L HN 0.516 nan 8.230 nan 0.000 0.423 583 K N 3.275 123.110 120.400 -0.942 0.000 2.419 583 K HA 0.139 4.459 4.320 0.001 0.000 0.282 583 K C -2.257 174.048 176.600 -0.492 0.000 1.056 583 K CA -1.224 54.399 56.287 -1.107 0.000 1.035 583 K CB -0.172 31.933 32.500 -0.658 0.000 0.921 583 K HN 0.271 nan 8.250 nan 0.000 0.472 584 P HA 0.062 nan 4.420 nan 0.000 0.280 584 P C -0.642 176.591 177.300 -0.112 0.000 1.244 584 P CA -0.321 62.696 63.100 -0.140 0.000 0.784 584 P CB 1.247 32.921 31.700 -0.043 0.000 0.913 585 S N 1.285 116.982 115.700 -0.005 0.000 2.617 585 S HA 0.440 4.910 4.470 0.001 0.000 0.269 585 S C 0.590 175.286 174.600 0.159 0.000 1.292 585 S CA -0.404 57.816 58.200 0.032 0.000 1.010 585 S CB 0.566 63.788 63.200 0.038 0.000 0.944 585 S HN 0.572 nan 8.310 nan 0.000 0.536 586 A N 1.744 124.675 122.820 0.185 0.000 3.094 586 A HA 0.379 4.700 4.320 0.001 0.000 0.288 586 A C 0.824 178.579 177.584 0.285 0.000 1.519 586 A CA -0.530 51.737 52.037 0.383 0.000 1.227 586 A CB -0.617 18.604 19.000 0.368 0.000 1.175 586 A HN 0.859 nan 8.150 nan 0.000 0.568 587 K N -0.689 119.860 120.400 0.249 0.000 2.538 587 K HA 0.270 4.591 4.320 0.001 0.000 0.215 587 K C -0.211 176.505 176.600 0.195 0.000 1.345 587 K CA -0.202 56.198 56.287 0.189 0.000 0.985 587 K CB 0.558 33.121 32.500 0.106 0.000 1.116 587 K HN 0.346 nan 8.250 nan 0.000 0.582 588 N N 0.248 119.069 118.700 0.202 0.000 2.591 588 N HA 0.187 4.928 4.740 0.001 0.000 0.263 588 N C -1.585 174.043 175.510 0.197 0.000 1.308 588 N CA -0.645 52.512 53.050 0.178 0.000 0.837 588 N CB 2.630 41.217 38.487 0.166 0.000 1.548 588 N HN -0.135 nan 8.380 nan 0.000 0.493 589 V N 2.014 122.012 119.914 0.140 0.000 2.276 589 V HA 0.129 4.250 4.120 0.001 0.000 0.249 589 V C -0.589 175.672 176.094 0.278 0.000 1.160 589 V CA 0.064 62.482 62.300 0.196 0.000 1.042 589 V CB -1.158 30.716 31.823 0.085 0.000 1.224 589 V HN 0.570 nan 8.190 nan 0.000 0.496 590 H N 2.674 121.858 119.070 0.191 0.000 2.744 590 H HA 0.521 5.078 4.556 0.000 0.000 0.339 590 H C -0.846 174.569 175.328 0.146 0.000 1.004 590 H CA -0.490 55.648 56.048 0.150 0.000 1.257 590 H CB 1.933 31.771 29.762 0.127 0.000 1.552 590 H HN 0.353 nan 8.280 nan 0.000 0.522 591 V N 8.124 127.947 119.914 -0.152 0.000 2.368 591 V HA 0.481 4.601 4.120 0.001 0.000 0.266 591 V C -2.476 173.588 176.094 -0.049 0.000 1.045 591 V CA -1.521 60.754 62.300 -0.041 0.000 0.899 591 V CB 0.562 32.395 31.823 0.016 0.000 1.006 591 V HN 0.737 nan 8.190 nan 0.000 0.470 592 P HA 0.553 nan 4.420 nan 0.000 0.282 592 P C -1.687 175.736 177.300 0.204 0.000 1.259 592 P CA -0.233 62.917 63.100 0.083 0.000 0.826 592 P CB 0.976 32.706 31.700 0.049 0.000 1.064 593 Y N -2.891 117.406 120.300 -0.006 0.000 2.522 593 Y HA 0.515 5.065 4.550 0.001 0.000 0.326 593 Y C -0.701 175.206 175.900 0.011 0.000 1.198 593 Y CA -1.027 57.075 58.100 0.003 0.000 1.112 593 Y CB -0.043 38.413 38.460 -0.008 0.000 1.342 593 Y HN 0.562 nan 8.280 nan 0.000 0.460 594 T N 0.203 114.788 114.554 0.051 0.000 2.880 594 T HA 0.744 5.094 4.350 0.001 0.000 0.279 594 T C -0.607 174.197 174.700 0.173 0.000 0.990 594 T CA -0.241 61.859 62.100 0.001 0.000 0.938 594 T CB 2.265 71.143 68.868 0.016 0.000 1.206 594 T HN 1.035 nan 8.240 nan 0.000 0.573 595 Q N -1.261 118.614 119.800 0.124 0.000 2.702 595 Q HA 0.550 4.890 4.340 0.001 0.000 0.289 595 Q C -1.577 174.498 176.000 0.126 0.000 0.923 595 Q CA -1.012 54.889 55.803 0.164 0.000 0.787 595 Q CB 1.593 30.498 28.738 0.278 0.000 1.476 595 Q HN 1.128 nan 8.270 nan 0.000 0.402 596 A N 0.945 123.838 122.820 0.122 0.000 2.280 596 A HA 0.689 5.010 4.320 0.001 0.000 0.268 596 A C -0.278 177.426 177.584 0.200 0.000 1.111 596 A CA -0.081 52.033 52.037 0.128 0.000 0.814 596 A CB 0.536 19.598 19.000 0.102 0.000 1.093 596 A HN 0.670 nan 8.150 nan 0.000 0.498 597 S N -0.373 115.430 115.700 0.172 0.000 2.645 597 S HA 0.334 4.805 4.470 0.001 0.000 0.266 597 S C 0.525 175.269 174.600 0.239 0.000 1.258 597 S CA -0.295 58.005 58.200 0.167 0.000 0.990 597 S CB 1.055 64.319 63.200 0.107 0.000 0.967 597 S HN 0.757 nan 8.310 nan 0.000 0.556 598 S N 1.019 116.808 115.700 0.148 0.000 2.498 598 S HA 0.272 4.742 4.470 0.001 0.000 0.314 598 S C 1.598 176.329 174.600 0.219 0.000 1.141 598 S CA -0.406 57.880 58.200 0.143 0.000 1.087 598 S CB -0.834 62.297 63.200 -0.115 0.000 1.178 598 S HN 0.833 nan 8.310 nan 0.000 0.533 599 G N 4.671 113.642 108.800 0.285 0.000 2.606 599 G HA2 -0.276 3.685 3.960 0.001 0.000 0.223 599 G HA3 -0.276 3.685 3.960 0.001 0.000 0.223 599 G C 0.986 176.104 174.900 0.364 0.000 1.106 599 G CA 0.941 46.211 45.100 0.284 0.000 0.745 599 G HN 0.695 nan 8.290 nan 0.000 0.597 600 F N 1.213 121.249 119.950 0.144 0.000 2.009 600 F HA 0.199 4.726 4.527 0.001 0.000 0.293 600 F C 1.680 177.647 175.800 0.279 0.000 1.156 600 F CA 0.433 58.550 58.000 0.194 0.000 1.168 600 F CB -0.933 38.131 39.000 0.107 0.000 0.981 600 F HN 0.197 nan 8.300 nan 0.000 0.475 604 K N 0.997 121.245 120.400 -0.252 0.000 2.001 604 K HA -0.247 4.073 4.320 0.001 0.000 0.214 604 K C 1.295 177.539 176.600 -0.593 0.000 1.050 604 K CA 2.045 57.959 56.287 -0.622 0.000 0.934 604 K CB -0.692 31.504 32.500 -0.506 0.000 0.718 604 K HN 0.099 nan 8.250 nan 0.000 0.443 605 N N 0.920 119.399 118.700 -0.369 0.000 2.651 605 N HA -0.155 4.585 4.740 0.001 0.000 0.193 605 N C 0.564 175.891 175.510 -0.305 0.000 1.149 605 N CA 0.885 53.760 53.050 -0.292 0.000 0.933 605 N CB 0.024 38.397 38.487 -0.190 0.000 0.974 605 N HN 0.114 nan 8.380 nan 0.000 0.448 606 N N -1.164 117.275 118.700 -0.435 0.000 2.142 606 N HA 0.047 4.788 4.740 0.001 0.000 0.233 606 N C -1.252 173.884 175.510 -0.624 0.000 1.335 606 N CA -0.042 52.777 53.050 -0.386 0.000 0.837 606 N CB 0.288 38.646 38.487 -0.214 0.000 1.238 606 N HN 0.146 nan 8.380 nan 0.000 0.501 607 S N -0.815 114.226 115.700 -1.098 0.000 2.560 607 S HA 0.478 4.948 4.470 0.001 0.000 0.284 607 S C 1.129 175.368 174.600 -0.602 0.000 1.327 607 S CA -0.124 57.258 58.200 -1.363 0.000 1.055 607 S CB 1.047 63.011 63.200 -2.060 0.000 0.868 607 S HN 0.237 nan 8.310 nan 0.000 0.506 608 G N 1.890 110.501 108.800 -0.316 0.000 2.486 608 G HA2 0.310 4.270 3.960 0.001 0.000 0.272 608 G HA3 0.310 4.270 3.960 0.001 0.000 0.272 608 G C -0.091 174.874 174.900 0.108 0.000 1.426 608 G CA -0.927 44.156 45.100 -0.028 0.000 1.058 608 G HN 0.703 nan 8.290 nan 0.000 0.531 609 R N 1.199 121.769 120.500 0.116 0.000 2.347 609 R HA 0.200 4.541 4.340 0.001 0.000 0.304 609 R C -1.889 174.494 176.300 0.137 0.000 1.072 609 R CA -1.435 54.733 56.100 0.114 0.000 0.980 609 R CB 0.698 31.027 30.300 0.047 0.000 0.986 609 R HN 0.331 nan 8.270 nan 0.000 0.448 610 P HA -0.122 nan 4.420 nan 0.000 0.270 610 P C 0.945 178.164 177.300 -0.135 0.000 1.216 610 P CA -0.012 62.925 63.100 -0.272 0.000 0.788 610 P CB 0.759 32.269 31.700 -0.317 0.000 0.883 611 L N 0.645 121.766 121.223 -0.169 0.000 2.141 611 L HA -0.186 4.154 4.340 0.001 0.000 0.209 611 L C 2.548 179.362 176.870 -0.094 0.000 1.094 611 L CA 1.235 56.017 54.840 -0.095 0.000 0.763 611 L CB -0.531 41.474 42.059 -0.090 0.000 0.908 611 L HN 0.402 nan 8.230 nan 0.000 0.437 612 Q N -0.235 119.509 119.800 -0.094 0.000 2.368 612 Q HA -0.242 4.098 4.340 0.001 0.000 0.210 612 Q C 0.832 176.799 176.000 -0.055 0.000 0.982 612 Q CA 1.393 57.160 55.803 -0.061 0.000 0.884 612 Q CB -0.272 28.435 28.738 -0.051 0.000 0.933 612 Q HN 0.656 nan 8.270 nan 0.000 0.460 613 E N 0.284 120.447 120.200 -0.061 0.000 2.526 613 E HA 0.032 4.382 4.350 0.001 0.000 0.208 613 E C 1.049 177.618 176.600 -0.051 0.000 0.997 613 E CA 0.762 57.131 56.400 -0.051 0.000 0.961 613 E CB 0.834 30.507 29.700 -0.044 0.000 1.030 613 E HN 0.474 nan 8.360 nan 0.000 0.483 614 T N -2.593 111.930 114.554 -0.052 0.000 2.975 614 T HA 0.346 4.696 4.350 0.001 0.000 0.261 614 T C 0.922 175.586 174.700 -0.061 0.000 0.984 614 T CA -0.008 62.063 62.100 -0.048 0.000 0.911 614 T CB 0.373 69.227 68.868 -0.024 0.000 1.127 614 T HN 0.062 nan 8.240 nan 0.000 0.514 615 A N 3.308 126.088 122.820 -0.067 0.000 2.561 615 A HA 0.391 4.711 4.320 0.001 0.000 0.251 615 A C -1.148 176.411 177.584 -0.042 0.000 1.062 615 A CA -0.794 51.206 52.037 -0.061 0.000 0.761 615 A CB -0.056 18.902 19.000 -0.069 0.000 0.986 615 A HN 0.292 nan 8.150 nan 0.000 0.510 616 P HA 0.020 nan 4.420 nan 0.000 0.239 616 P C 0.011 176.989 177.300 -0.537 0.000 1.184 616 P CA 1.242 64.216 63.100 -0.209 0.000 0.760 616 P CB -0.020 31.637 31.700 -0.071 0.000 0.884 617 F N -2.087 117.813 119.950 -0.083 0.000 2.856 617 F HA 0.374 4.901 4.527 0.001 0.000 0.333 617 F C 1.318 177.096 175.800 -0.036 0.000 1.200 617 F CA -0.196 57.723 58.000 -0.136 0.000 1.128 617 F CB 0.486 39.301 39.000 -0.309 0.000 1.172 617 F HN -0.080 nan 8.300 nan 0.000 0.511 618 G N 0.654 109.501 108.800 0.079 0.000 2.160 618 G HA2 -0.308 3.652 3.960 0.001 0.000 0.251 618 G HA3 -0.308 3.652 3.960 0.001 0.000 0.251 618 G C 0.210 175.164 174.900 0.091 0.000 1.008 618 G CA -0.004 45.135 45.100 0.065 0.000 0.724 618 G HN 0.363 nan 8.290 nan 0.000 0.514 619 c N 0.212 118.877 118.600 0.108 0.000 2.676 619 c HA 0.414 4.984 4.570 0.001 0.000 0.416 619 c C 1.193 175.313 174.090 0.051 0.000 1.299 619 c CA 0.048 56.437 56.329 0.100 0.000 2.048 619 c CB 0.590 43.158 42.510 0.098 0.000 2.713 619 c HN 0.490 nan 8.230 nan 0.000 0.624 620 K N 2.498 122.934 120.400 0.059 0.000 2.655 620 K HA 0.269 4.589 4.320 0.001 0.000 0.213 620 K C -0.665 175.967 176.600 0.053 0.000 1.126 620 K CA -0.449 55.863 56.287 0.042 0.000 1.076 620 K CB 0.103 32.628 32.500 0.042 0.000 1.644 620 K HN 0.467 nan 8.250 nan 0.000 0.523 621 I N 2.427 123.024 120.570 0.046 0.000 3.089 621 I HA -0.235 3.935 4.170 0.001 0.000 0.321 621 I C 0.548 176.718 176.117 0.088 0.000 1.222 621 I CA 0.966 62.320 61.300 0.090 0.000 1.452 621 I CB -0.097 37.934 38.000 0.052 0.000 1.321 621 I HN 0.486 nan 8.210 nan 0.000 0.539 622 A N 6.032 128.922 122.820 0.117 0.000 2.401 622 A HA 0.873 5.194 4.320 0.001 0.000 0.310 622 A C -1.052 176.574 177.584 0.070 0.000 1.075 622 A CA -0.566 51.517 52.037 0.076 0.000 0.746 622 A CB 1.815 20.853 19.000 0.063 0.000 1.277 622 A HN 0.358 nan 8.150 nan 0.000 0.425 623 V N 2.816 122.758 119.914 0.047 0.000 2.398 623 V HA 0.426 4.547 4.120 0.001 0.000 0.282 623 V C -0.162 175.946 176.094 0.023 0.000 1.014 623 V CA -0.296 62.025 62.300 0.035 0.000 0.838 623 V CB 0.854 32.701 31.823 0.040 0.000 1.018 623 V HN 1.027 nan 8.190 nan 0.000 0.432 624 N N 3.519 122.228 118.700 0.015 0.000 2.584 624 N HA 0.217 4.958 4.740 0.001 0.000 0.318 624 N C -2.450 173.059 175.510 -0.001 0.000 0.669 624 N CA 0.205 53.260 53.050 0.009 0.000 1.248 624 N CB -0.006 38.488 38.487 0.012 0.000 1.659 624 N HN 0.455 nan 8.380 nan 0.000 1.460 625 P HA 0.148 nan 4.420 nan 0.000 0.271 625 P C -0.547 176.744 177.300 -0.016 0.000 1.226 625 P CA -0.142 62.953 63.100 -0.007 0.000 0.765 625 P CB 0.557 32.261 31.700 0.005 0.000 0.835 626 L N 5.522 126.710 121.223 -0.058 0.000 2.410 626 L HA 0.293 4.633 4.340 0.001 0.000 0.273 626 L C 0.418 177.234 176.870 -0.090 0.000 1.144 626 L CA 0.331 55.107 54.840 -0.107 0.000 0.863 626 L CB -0.253 41.660 42.059 -0.243 0.000 1.140 626 L HN 0.659 nan 8.230 nan 0.000 0.463 627 R N 3.924 124.452 120.500 0.047 0.000 2.692 627 R HA 0.719 5.059 4.340 0.001 0.000 0.269 627 R C -1.666 174.816 176.300 0.303 0.000 1.030 627 R CA -0.925 55.258 56.100 0.139 0.000 0.882 627 R CB 1.370 31.717 30.300 0.080 0.000 1.250 627 R HN 0.489 nan 8.270 nan 0.000 0.465 628 A N 2.007 124.997 122.820 0.283 0.000 2.786 628 A HA 0.432 4.752 4.320 0.001 0.000 0.346 628 A C -0.316 177.361 177.584 0.154 0.000 1.265 628 A CA -0.694 51.477 52.037 0.223 0.000 0.858 628 A CB 0.665 19.790 19.000 0.208 0.000 1.118 628 A HN 0.398 nan 8.150 nan 0.000 0.482 629 V N 2.632 122.616 119.914 0.118 0.000 2.599 629 V HA 0.070 4.191 4.120 0.001 0.000 0.300 629 V C 0.437 176.587 176.094 0.095 0.000 1.034 629 V CA 0.472 62.827 62.300 0.091 0.000 1.115 629 V CB 0.073 31.938 31.823 0.069 0.000 0.934 629 V HN 0.941 nan 8.190 nan 0.000 0.485 630 D N 1.718 122.172 120.400 0.089 0.000 2.772 630 D HA -0.170 4.470 4.640 0.001 0.000 0.233 630 D C 0.484 176.856 176.300 0.120 0.000 1.143 630 D CA 0.593 54.646 54.000 0.088 0.000 0.700 630 D CB -1.252 39.591 40.800 0.071 0.000 1.076 630 D HN 0.657 nan 8.370 nan 0.000 0.430 631 c N 0.151 118.853 118.600 0.169 0.000 2.758 631 c HA 0.338 4.908 4.570 0.001 0.000 0.371 631 c C 1.309 175.531 174.090 0.219 0.000 1.342 631 c CA -0.116 56.359 56.329 0.242 0.000 2.257 631 c CB 0.838 43.573 42.510 0.375 0.000 2.621 631 c HN 0.368 nan 8.230 nan 0.000 0.730 632 S N 0.814 116.667 115.700 0.255 0.000 2.721 632 S HA 0.615 5.085 4.470 0.001 0.000 0.264 632 S C -1.097 173.557 174.600 0.091 0.000 1.161 632 S CA -0.436 57.850 58.200 0.145 0.000 1.113 632 S CB 0.444 63.724 63.200 0.132 0.000 1.079 632 S HN 0.737 nan 8.310 nan 0.000 0.479 633 Y N -0.735 119.361 120.300 -0.340 0.000 2.604 633 Y HA 0.707 5.258 4.550 0.001 0.000 0.331 633 Y C 0.120 175.839 175.900 -0.302 0.000 1.158 633 Y CA -0.556 57.235 58.100 -0.515 0.000 1.056 633 Y CB 0.228 37.934 38.460 -1.258 0.000 1.330 633 Y HN 0.891 nan 8.280 nan 0.000 0.457 634 G N 2.143 110.805 108.800 -0.231 0.000 2.907 634 G HA2 -0.198 3.762 3.960 0.001 0.000 0.242 634 G HA3 -0.198 3.762 3.960 0.001 0.000 0.242 634 G C -1.405 173.351 174.900 -0.240 0.000 1.448 634 G CA -0.065 44.902 45.100 -0.222 0.000 0.911 634 G HN 0.966 nan 8.290 nan 0.000 0.553 635 N N -1.115 117.472 118.700 -0.189 0.000 2.384 635 N HA 0.685 5.426 4.740 0.001 0.000 0.301 635 N C -0.033 175.360 175.510 -0.195 0.000 1.133 635 N CA -0.615 52.322 53.050 -0.189 0.000 0.853 635 N CB 1.433 39.830 38.487 -0.150 0.000 1.241 635 N HN 0.595 nan 8.380 nan 0.000 0.502 636 I N 1.884 122.331 120.570 -0.206 0.000 2.330 636 I HA 0.356 4.526 4.170 0.001 0.000 0.289 636 I C -2.245 173.771 176.117 -0.169 0.000 1.001 636 I CA -2.115 59.075 61.300 -0.183 0.000 1.193 636 I CB 1.640 39.529 38.000 -0.185 0.000 1.345 636 I HN 0.206 nan 8.210 nan 0.000 0.461 637 P HA 0.323 nan 4.420 nan 0.000 0.271 637 P C -0.733 176.492 177.300 -0.126 0.000 1.216 637 P CA 0.085 63.108 63.100 -0.127 0.000 0.776 637 P CB 0.702 32.342 31.700 -0.100 0.000 0.881 638 I N 1.108 121.598 120.570 -0.132 0.000 2.571 638 I HA 0.208 4.378 4.170 0.001 0.000 0.289 638 I C -0.497 175.548 176.117 -0.121 0.000 1.115 638 I CA -0.489 60.740 61.300 -0.119 0.000 1.045 638 I CB 2.229 40.157 38.000 -0.119 0.000 1.238 638 I HN 0.107 nan 8.210 nan 0.000 0.424 639 S N 6.672 122.308 115.700 -0.107 0.000 2.433 639 S HA 0.654 5.124 4.470 0.001 0.000 0.310 639 S C -0.350 174.198 174.600 -0.087 0.000 1.097 639 S CA -0.495 57.639 58.200 -0.110 0.000 1.103 639 S CB 1.092 64.230 63.200 -0.104 0.000 0.992 639 S HN 0.334 nan 8.310 nan 0.000 0.469 640 I N 2.232 122.761 120.570 -0.068 0.000 2.433 640 I HA 0.321 4.491 4.170 0.001 0.000 0.292 640 I C -0.619 175.469 176.117 -0.049 0.000 1.001 640 I CA -0.672 60.594 61.300 -0.057 0.000 1.119 640 I CB 1.806 39.785 38.000 -0.035 0.000 1.289 640 I HN 0.438 nan 8.210 nan 0.000 0.438 641 D N 6.719 127.087 120.400 -0.053 0.000 2.485 641 D HA 0.423 5.063 4.640 0.001 0.000 0.221 641 D C -0.543 175.767 176.300 0.017 0.000 1.112 641 D CA -0.308 53.681 54.000 -0.018 0.000 0.911 641 D CB 0.415 41.203 40.800 -0.020 0.000 1.019 641 D HN 0.217 nan 8.370 nan 0.000 0.516 642 I N 4.259 124.895 120.570 0.109 0.000 2.416 642 I HA 0.259 4.430 4.170 0.001 0.000 0.288 642 I C -1.944 174.397 176.117 0.373 0.000 1.051 642 I CA -2.064 59.344 61.300 0.181 0.000 1.375 642 I CB 0.761 38.936 38.000 0.292 0.000 1.407 642 I HN 0.219 nan 8.210 nan 0.000 0.516 643 P HA 0.033 nan 4.420 nan 0.000 0.262 643 P C 0.375 177.933 177.300 0.431 0.000 1.199 643 P CA 0.098 63.367 63.100 0.282 0.000 0.763 643 P CB 0.358 32.195 31.700 0.228 0.000 0.790 644 N N 3.239 122.140 118.700 0.334 0.000 2.258 644 N HA -0.194 4.546 4.740 0.001 0.000 0.187 644 N C 1.471 177.212 175.510 0.385 0.000 1.012 644 N CA 1.336 54.581 53.050 0.324 0.000 0.870 644 N CB -0.313 38.206 38.487 0.053 0.000 0.977 644 N HN 0.419 nan 8.380 nan 0.000 0.434 645 A N -0.107 122.858 122.820 0.242 0.000 2.259 645 A HA 0.173 4.493 4.320 0.001 0.000 0.212 645 A C 1.729 179.380 177.584 0.112 0.000 1.178 645 A CA 1.349 53.480 52.037 0.156 0.000 0.734 645 A CB -0.136 18.927 19.000 0.106 0.000 0.774 645 A HN 0.298 nan 8.150 nan 0.000 0.481 646 A N -1.641 121.245 122.820 0.110 0.000 2.551 646 A HA 0.565 4.885 4.320 0.001 0.000 0.252 646 A C -0.005 177.481 177.584 -0.163 0.000 1.199 646 A CA -0.456 51.531 52.037 -0.083 0.000 0.972 646 A CB 0.154 19.024 19.000 -0.217 0.000 1.153 646 A HN 0.264 nan 8.150 nan 0.000 0.559 647 F N 0.754 120.720 119.950 0.027 0.000 2.410 647 F HA 0.474 5.001 4.527 0.001 0.000 0.348 647 F C 0.337 176.219 175.800 0.137 0.000 1.106 647 F CA -0.303 57.717 58.000 0.034 0.000 1.163 647 F CB 0.902 39.826 39.000 -0.127 0.000 1.129 647 F HN -0.005 nan 8.300 nan 0.000 0.516 648 I N 4.390 125.130 120.570 0.283 0.000 2.321 648 I HA 0.340 4.510 4.170 0.001 0.000 0.291 648 I C -0.451 175.821 176.117 0.259 0.000 0.998 648 I CA -0.944 60.486 61.300 0.217 0.000 1.227 648 I CB 1.226 39.285 38.000 0.098 0.000 1.368 648 I HN 0.549 nan 8.210 nan 0.000 0.466 649 R N 3.710 124.290 120.500 0.134 0.000 2.196 649 R HA 0.345 4.685 4.340 0.001 0.000 0.340 649 R C 0.259 176.496 176.300 -0.104 0.000 1.043 649 R CA -0.644 55.367 56.100 -0.149 0.000 0.883 649 R CB 0.100 30.026 30.300 -0.623 0.000 1.078 649 R HN 0.569 nan 8.270 nan 0.000 0.462 650 T N 1.389 115.904 114.554 -0.066 0.000 3.390 650 T HA -0.215 4.135 4.350 0.001 0.000 0.385 650 T C 0.544 175.223 174.700 -0.036 0.000 0.768 650 T CA 1.690 63.762 62.100 -0.046 0.000 1.948 650 T CB -0.926 67.904 68.868 -0.064 0.000 1.746 650 T HN 0.732 nan 8.240 nan 0.000 0.630 651 S N -0.406 115.283 115.700 -0.018 0.000 2.593 651 S HA 0.169 4.639 4.470 0.001 0.000 0.236 651 S C 0.190 174.790 174.600 0.001 0.000 0.991 651 S CA -0.483 57.709 58.200 -0.012 0.000 0.963 651 S CB 0.356 63.550 63.200 -0.009 0.000 0.865 651 S HN 0.445 nan 8.310 nan 0.000 0.488 652 D N 1.803 122.205 120.400 0.004 0.000 2.339 652 D HA 0.378 5.019 4.640 0.001 0.000 0.256 652 D C 0.983 177.287 176.300 0.007 0.000 1.214 652 D CA -0.047 53.959 54.000 0.009 0.000 0.877 652 D CB 1.331 42.138 40.800 0.011 0.000 1.111 652 D HN 0.212 nan 8.370 nan 0.000 0.478 653 A N 5.144 127.970 122.820 0.009 0.000 2.204 653 A HA -0.063 4.257 4.320 0.001 0.000 0.220 653 A C -1.448 176.144 177.584 0.013 0.000 1.165 653 A CA 0.561 52.604 52.037 0.009 0.000 0.671 653 A CB -0.892 18.114 19.000 0.009 0.000 0.792 653 A HN 0.436 nan 8.150 nan 0.000 0.473 654 P HA 0.378 nan 4.420 nan 0.000 0.301 654 P C -0.685 176.627 177.300 0.020 0.000 1.338 654 P CA -0.488 62.627 63.100 0.025 0.000 0.834 654 P CB 1.532 33.254 31.700 0.037 0.000 0.967 655 L N 4.216 125.453 121.223 0.023 0.000 2.380 655 L HA 0.291 4.631 4.340 0.001 0.000 0.273 655 L C 0.121 177.011 176.870 0.032 0.000 1.138 655 L CA -0.303 54.550 54.840 0.020 0.000 0.832 655 L CB 1.453 43.523 42.059 0.019 0.000 1.124 655 L HN 0.181 nan 8.230 nan 0.000 0.454 656 V N 3.108 123.034 119.914 0.020 0.000 2.495 656 V HA 0.666 4.786 4.120 0.001 0.000 0.298 656 V C -0.062 176.049 176.094 0.029 0.000 1.031 656 V CA -0.521 61.793 62.300 0.023 0.000 0.871 656 V CB 1.859 33.660 31.823 -0.038 0.000 0.988 656 V HN 0.954 nan 8.190 nan 0.000 0.432 657 S N 1.380 117.118 115.700 0.064 0.000 2.550 657 S HA 0.650 5.120 4.470 0.001 0.000 0.270 657 S C -0.131 174.519 174.600 0.082 0.000 1.145 657 S CA -0.004 58.229 58.200 0.055 0.000 0.852 657 S CB 1.822 65.049 63.200 0.044 0.000 1.119 657 S HN 2.266 nan 8.310 nan 0.000 0.465 658 T N -1.463 113.124 114.554 0.056 0.000 3.860 658 T HA -0.146 4.204 4.350 0.001 0.000 0.378 658 T C -0.114 174.639 174.700 0.089 0.000 0.761 658 T CA 0.282 62.417 62.100 0.058 0.000 2.004 658 T CB -2.925 65.974 68.868 0.051 0.000 1.778 658 T HN 1.492 nan 8.240 nan 0.000 0.801 659 V N 1.639 121.597 119.914 0.073 0.000 2.607 659 V HA 0.684 4.804 4.120 0.001 0.000 0.289 659 V C 0.734 176.860 176.094 0.054 0.000 1.053 659 V CA -0.364 61.989 62.300 0.088 0.000 0.996 659 V CB 1.638 33.482 31.823 0.034 0.000 0.995 659 V HN 0.718 nan 8.190 nan 0.000 0.476 660 K N 1.803 122.240 120.400 0.063 0.000 2.480 660 K HA 0.662 4.983 4.320 0.001 0.000 0.258 660 K C -1.586 175.028 176.600 0.023 0.000 0.990 660 K CA -0.551 55.752 56.287 0.027 0.000 0.857 660 K CB 2.357 34.870 32.500 0.021 0.000 1.384 660 K HN 0.695 nan 8.250 nan 0.000 0.446 661 c N 1.509 120.102 118.600 -0.011 0.000 2.369 661 c HA 0.462 5.033 4.570 0.001 0.000 0.322 661 c C -1.116 172.959 174.090 -0.025 0.000 1.258 661 c CA -0.216 56.099 56.329 -0.024 0.000 1.487 661 c CB 0.199 42.661 42.510 -0.080 0.000 2.165 661 c HN 0.755 nan 8.230 nan 0.000 0.483 662 E N 3.578 123.782 120.200 0.006 0.000 2.234 662 E HA 0.485 4.835 4.350 0.001 0.000 0.266 662 E C -1.300 175.333 176.600 0.055 0.000 0.877 662 E CA -0.557 55.854 56.400 0.018 0.000 0.758 662 E CB 2.278 31.992 29.700 0.025 0.000 1.170 662 E HN 0.498 nan 8.360 nan 0.000 0.415 663 V N 3.100 123.057 119.914 0.072 0.000 2.350 663 V HA 0.035 4.155 4.120 0.001 0.000 0.276 663 V C 1.153 177.325 176.094 0.130 0.000 1.028 663 V CA 0.004 62.397 62.300 0.155 0.000 0.860 663 V CB 1.105 33.056 31.823 0.214 0.000 0.990 663 V HN 0.879 nan 8.190 nan 0.000 0.453 664 S N 4.100 119.877 115.700 0.128 0.000 2.317 664 S HA 0.126 4.596 4.470 0.001 0.000 0.212 664 S C 0.492 175.146 174.600 0.091 0.000 1.030 664 S CA 0.245 58.498 58.200 0.088 0.000 0.970 664 S CB 0.060 63.301 63.200 0.068 0.000 0.928 664 S HN 0.745 nan 8.310 nan 0.000 0.451 665 E N -1.034 119.223 120.200 0.095 0.000 2.378 665 E HA 0.673 5.024 4.350 0.001 0.000 0.265 665 E C -1.677 174.967 176.600 0.073 0.000 0.932 665 E CA -0.932 55.513 56.400 0.075 0.000 0.795 665 E CB 2.308 32.035 29.700 0.046 0.000 1.296 665 E HN 0.432 nan 8.360 nan 0.000 0.438 666 c N 0.978 119.615 118.600 0.062 0.000 3.181 666 c HA 0.578 5.149 4.570 0.001 0.000 0.362 666 c C -1.313 172.809 174.090 0.053 0.000 1.125 666 c CA -0.217 56.140 56.329 0.046 0.000 1.265 666 c CB 0.886 43.503 42.510 0.178 0.000 1.632 666 c HN 0.860 nan 8.230 nan 0.000 0.525 667 T N 1.825 116.383 114.554 0.008 0.000 2.876 667 T HA 0.675 5.026 4.350 0.001 0.000 0.289 667 T C -0.846 173.877 174.700 0.038 0.000 1.014 667 T CA -0.473 61.634 62.100 0.012 0.000 0.986 667 T CB 1.243 70.061 68.868 -0.084 0.000 1.021 667 T HN 1.183 nan 8.240 nan 0.000 0.458 668 Y N 1.827 122.142 120.300 0.024 0.000 2.336 668 Y HA 0.486 5.037 4.550 0.001 0.000 0.335 668 Y C 0.830 176.739 175.900 0.014 0.000 1.046 668 Y CA -0.250 57.872 58.100 0.036 0.000 1.198 668 Y CB 0.530 39.025 38.460 0.057 0.000 1.182 668 Y HN 1.350 nan 8.280 nan 0.000 0.502 669 S N 0.965 116.689 115.700 0.041 0.000 3.706 669 S HA -0.164 4.307 4.470 0.001 0.000 0.363 669 S C -0.199 174.308 174.600 -0.156 0.000 0.999 669 S CA 0.145 58.322 58.200 -0.039 0.000 1.143 669 S CB -2.239 60.986 63.200 0.043 0.000 0.902 669 S HN 1.804 nan 8.310 nan 0.000 0.476 670 A N 0.233 122.946 122.820 -0.179 0.000 2.312 670 A HA 0.806 5.126 4.320 0.001 0.000 0.310 670 A C 0.912 178.336 177.584 -0.267 0.000 1.139 670 A CA -0.082 51.831 52.037 -0.207 0.000 0.886 670 A CB 0.372 19.259 19.000 -0.189 0.000 1.350 670 A HN 0.265 nan 8.150 nan 0.000 0.479 671 D N -0.731 119.497 120.400 -0.286 0.000 2.077 671 D HA -0.008 4.632 4.640 0.001 0.000 0.193 671 D C -0.389 175.420 176.300 -0.818 0.000 0.989 671 D CA 2.247 55.959 54.000 -0.481 0.000 0.831 671 D CB -0.137 40.499 40.800 -0.274 0.000 0.979 671 D HN 0.347 nan 8.370 nan 0.000 0.449 672 F N -1.248 118.629 119.950 -0.122 0.000 2.766 672 F HA 0.384 4.912 4.527 0.001 0.000 0.355 672 F C 1.056 176.750 175.800 -0.176 0.000 1.434 672 F CA -0.577 57.339 58.000 -0.141 0.000 1.139 672 F CB 1.387 40.312 39.000 -0.124 0.000 1.816 672 F HN -0.096 nan 8.300 nan 0.000 0.600 673 G N 0.055 108.799 108.800 -0.095 0.000 3.042 673 G HA2 0.305 4.266 3.960 0.001 0.000 0.212 673 G HA3 0.305 4.266 3.960 0.001 0.000 0.212 673 G C 0.899 175.655 174.900 -0.239 0.000 1.166 673 G CA 0.347 45.373 45.100 -0.123 0.000 0.767 673 G HN 0.635 nan 8.290 nan 0.000 0.546 677 T N -0.618 113.987 114.554 0.085 0.000 2.893 677 T HA 0.762 5.112 4.350 0.001 0.000 0.291 677 T C -0.830 173.912 174.700 0.070 0.000 1.028 677 T CA -0.631 61.507 62.100 0.062 0.000 0.995 677 T CB 1.250 70.146 68.868 0.047 0.000 1.051 677 T HN 0.780 nan 8.240 nan 0.000 0.470 678 L N 2.378 123.660 121.223 0.099 0.000 2.345 678 L HA 0.423 4.763 4.340 0.001 0.000 0.274 678 L C 0.200 177.212 176.870 0.236 0.000 0.999 678 L CA -0.766 54.156 54.840 0.138 0.000 0.849 678 L CB 1.712 43.843 42.059 0.120 0.000 1.220 678 L HN 0.660 nan 8.230 nan 0.000 0.422 679 Q N 2.998 122.889 119.800 0.152 0.000 2.260 679 Q HA 0.585 4.925 4.340 0.001 0.000 0.242 679 Q C -1.205 174.911 176.000 0.194 0.000 0.932 679 Q CA -0.292 55.559 55.803 0.079 0.000 0.891 679 Q CB 1.872 30.611 28.738 0.003 0.000 1.222 679 Q HN 0.540 nan 8.270 nan 0.000 0.453 680 Y N -3.116 117.185 120.300 0.003 0.000 2.965 680 Y HA 0.639 5.189 4.550 0.001 0.000 0.341 680 Y C -1.794 174.108 175.900 0.004 0.000 1.443 680 Y CA -1.292 56.810 58.100 0.003 0.000 1.101 680 Y CB 0.686 39.150 38.460 0.005 0.000 1.969 680 Y HN 0.251 nan 8.280 nan 0.000 0.419 681 V N 2.116 122.177 119.914 0.245 0.000 2.612 681 V HA 0.652 4.773 4.120 0.001 0.000 0.301 681 V C -0.964 175.279 176.094 0.248 0.000 1.059 681 V CA -0.180 62.193 62.300 0.122 0.000 0.886 681 V CB 1.550 33.404 31.823 0.052 0.000 1.007 681 V HN 1.040 nan 8.190 nan 0.000 0.426 682 S N 1.362 117.198 115.700 0.227 0.000 2.513 682 S HA 0.541 5.011 4.470 0.001 0.000 0.299 682 S C 0.155 174.814 174.600 0.099 0.000 1.087 682 S CA -0.718 57.595 58.200 0.189 0.000 1.012 682 S CB 2.188 65.547 63.200 0.266 0.000 1.044 682 S HN 0.540 nan 8.310 nan 0.000 0.485 683 D N 1.428 121.869 120.400 0.069 0.000 2.097 683 D HA 0.083 4.724 4.640 0.001 0.000 0.195 683 D C 1.060 177.385 176.300 0.041 0.000 0.989 683 D CA 1.500 55.526 54.000 0.043 0.000 0.827 683 D CB 0.110 40.928 40.800 0.031 0.000 0.966 683 D HN 0.580 nan 8.370 nan 0.000 0.456 684 R N -0.897 119.631 120.500 0.047 0.000 3.288 684 R HA 0.467 4.808 4.340 0.001 0.000 0.245 684 R C -0.432 175.902 176.300 0.057 0.000 1.436 684 R CA -0.758 55.367 56.100 0.042 0.000 1.036 684 R CB 1.156 31.474 30.300 0.029 0.000 1.500 684 R HN -0.136 nan 8.270 nan 0.000 0.493 685 E N -0.519 119.709 120.200 0.048 0.000 2.222 685 E HA 0.563 4.913 4.350 0.001 0.000 0.272 685 E C -0.493 176.138 176.600 0.051 0.000 0.982 685 E CA -0.585 55.850 56.400 0.058 0.000 0.842 685 E CB 2.015 31.746 29.700 0.051 0.000 1.144 685 E HN 0.656 nan 8.360 nan 0.000 0.397 686 G N 0.855 109.692 108.800 0.060 0.000 2.500 686 G HA2 0.257 4.218 3.960 0.001 0.000 0.299 686 G HA3 0.257 4.218 3.960 0.001 0.000 0.299 686 G C -1.612 173.321 174.900 0.056 0.000 1.242 686 G CA -0.643 44.485 45.100 0.048 0.000 0.859 686 G HN 0.395 nan 8.290 nan 0.000 0.481 687 Q N -0.555 119.255 119.800 0.016 0.000 2.294 687 Q HA 0.484 4.825 4.340 0.001 0.000 0.264 687 Q C -1.255 174.708 176.000 -0.062 0.000 0.992 687 Q CA -0.523 55.261 55.803 -0.033 0.000 0.747 687 Q CB 2.116 30.832 28.738 -0.037 0.000 1.262 687 Q HN 0.549 nan 8.270 nan 0.000 0.452 688 c N 3.431 121.980 118.600 -0.085 0.000 2.370 688 c HA 0.628 5.199 4.570 0.001 0.000 0.354 688 c C -2.199 171.840 174.090 -0.085 0.000 1.218 688 c CA -1.343 54.938 56.329 -0.081 0.000 2.154 688 c CB 0.614 43.063 42.510 -0.102 0.000 2.391 688 c HN 0.566 nan 8.230 nan 0.000 0.540 689 P HA 0.349 nan 4.420 nan 0.000 0.300 689 P C -1.018 176.267 177.300 -0.024 0.000 1.356 689 P CA -0.135 62.934 63.100 -0.051 0.000 0.823 689 P CB 0.776 32.449 31.700 -0.045 0.000 0.934 690 V N 4.832 124.734 119.914 -0.021 0.000 2.439 690 V HA 0.512 4.633 4.120 0.001 0.000 0.282 690 V C -0.060 176.064 176.094 0.052 0.000 1.039 690 V CA -0.080 62.223 62.300 0.005 0.000 0.913 690 V CB 0.675 32.492 31.823 -0.010 0.000 0.983 690 V HN 0.705 nan 8.190 nan 0.000 0.460 691 H N 2.139 121.148 119.070 -0.101 0.000 3.079 691 H HA 0.558 5.115 4.556 0.001 0.000 0.356 691 H C -0.546 174.650 175.328 -0.221 0.000 1.221 691 H CA -0.301 55.641 56.048 -0.177 0.000 1.185 691 H CB 1.960 31.579 29.762 -0.238 0.000 1.882 691 H HN 0.695 nan 8.280 nan 0.000 0.543 692 S N 2.733 117.864 115.700 -0.947 0.000 2.457 692 S HA 0.232 4.702 4.470 0.001 0.000 0.289 692 S C -0.184 173.960 174.600 -0.761 0.000 1.163 692 S CA -0.805 57.026 58.200 -0.616 0.000 1.078 692 S CB 0.651 63.616 63.200 -0.391 0.000 0.987 692 S HN 0.754 nan 8.310 nan 0.000 0.482 693 H N 2.384 121.339 119.070 -0.191 0.000 2.704 693 H HA 0.347 4.904 4.556 0.001 0.000 0.315 693 H C -0.019 175.298 175.328 -0.017 0.000 1.117 693 H CA 0.026 56.035 56.048 -0.066 0.000 1.129 693 H CB -0.473 29.296 29.762 0.012 0.000 1.439 693 H HN 0.823 nan 8.280 nan 0.000 0.528 694 S N -0.800 114.911 115.700 0.019 0.000 2.584 694 S HA 0.072 4.543 4.470 0.001 0.000 0.280 694 S C 0.850 175.450 174.600 -0.001 0.000 1.162 694 S CA -0.620 57.610 58.200 0.050 0.000 0.951 694 S CB 1.500 64.760 63.200 0.102 0.000 1.108 694 S HN 0.190 nan 8.310 nan 0.000 0.464 695 S N 1.035 116.747 115.700 0.020 0.000 2.500 695 S HA -0.128 4.342 4.470 0.001 0.000 0.239 695 S C 1.783 176.382 174.600 -0.003 0.000 0.989 695 S CA 1.158 59.364 58.200 0.009 0.000 0.951 695 S CB -1.243 61.981 63.200 0.041 0.000 0.759 695 S HN 1.260 nan 8.310 nan 0.000 0.523 696 T N -1.111 113.453 114.554 0.016 0.000 3.077 696 T HA 0.441 4.791 4.350 0.001 0.000 0.269 696 T C 0.511 175.186 174.700 -0.042 0.000 1.146 696 T CA 0.573 62.691 62.100 0.030 0.000 1.091 696 T CB -0.471 68.455 68.868 0.097 0.000 0.892 696 T HN 0.853 nan 8.240 nan 0.000 0.533 697 A N 0.496 123.221 122.820 -0.158 0.000 2.605 697 A HA 0.657 4.977 4.320 0.001 0.000 0.294 697 A C -0.331 177.081 177.584 -0.286 0.000 1.062 697 A CA -0.595 51.245 52.037 -0.328 0.000 0.682 697 A CB 1.242 19.668 19.000 -0.958 0.000 1.278 697 A HN 0.655 nan 8.150 nan 0.000 0.410 698 T N -0.430 114.019 114.554 -0.175 0.000 2.912 698 T HA 0.706 5.056 4.350 0.001 0.000 0.299 698 T C -0.654 174.064 174.700 0.031 0.000 1.052 698 T CA -0.626 61.418 62.100 -0.094 0.000 0.996 698 T CB 0.870 69.728 68.868 -0.016 0.000 1.070 698 T HN 0.655 nan 8.240 nan 0.000 0.465 699 L N 2.597 123.835 121.223 0.026 0.000 2.375 699 L HA 0.442 4.782 4.340 0.001 0.000 0.271 699 L C 2.072 179.018 176.870 0.128 0.000 1.107 699 L CA -0.799 54.104 54.840 0.105 0.000 0.806 699 L CB 1.189 43.271 42.059 0.039 0.000 1.146 699 L HN 0.872 nan 8.230 nan 0.000 0.447 700 Q N 1.216 121.056 119.800 0.067 0.000 2.172 700 Q HA -0.009 4.331 4.340 0.001 0.000 0.200 700 Q C -0.163 175.740 176.000 -0.161 0.000 0.964 700 Q CA 1.105 56.756 55.803 -0.254 0.000 0.855 700 Q CB 0.462 28.709 28.738 -0.818 0.000 0.918 700 Q HN 0.639 nan 8.270 nan 0.000 0.444 701 E N -0.906 119.254 120.200 -0.066 0.000 2.244 701 E HA 0.165 4.515 4.350 0.001 0.000 0.266 701 E C -0.150 176.436 176.600 -0.022 0.000 0.914 701 E CA 0.083 56.454 56.400 -0.048 0.000 0.794 701 E CB 1.958 31.636 29.700 -0.035 0.000 1.210 701 E HN 0.164 nan 8.360 nan 0.000 0.414 702 S N -0.535 115.145 115.700 -0.034 0.000 2.520 702 S HA 0.050 4.520 4.470 0.001 0.000 0.219 702 S C 0.696 175.263 174.600 -0.055 0.000 1.028 702 S CA -0.229 57.952 58.200 -0.032 0.000 0.921 702 S CB 0.168 63.343 63.200 -0.041 0.000 0.844 702 S HN 0.545 nan 8.310 nan 0.000 0.495 703 T N -0.405 114.101 114.554 -0.080 0.000 2.916 703 T HA 0.806 5.156 4.350 0.001 0.000 0.292 703 T C -0.929 173.674 174.700 -0.162 0.000 1.055 703 T CA -0.771 61.253 62.100 -0.127 0.000 1.009 703 T CB 1.980 70.750 68.868 -0.163 0.000 1.118 703 T HN 0.061 nan 8.240 nan 0.000 0.497 704 V N 1.756 121.549 119.914 -0.202 0.000 2.851 704 V HA 0.338 4.459 4.120 0.001 0.000 0.307 704 V C -0.864 175.095 176.094 -0.225 0.000 1.129 704 V CA -1.027 61.161 62.300 -0.187 0.000 0.932 704 V CB 2.109 33.887 31.823 -0.075 0.000 1.024 704 V HN 0.989 nan 8.190 nan 0.000 0.426 705 H N 3.170 122.245 119.070 0.008 0.000 3.109 705 H HA 0.247 4.803 4.556 0.001 0.000 0.266 705 H C -0.128 175.222 175.328 0.037 0.000 1.334 705 H CA -0.096 55.961 56.048 0.015 0.000 1.456 705 H CB 0.941 30.712 29.762 0.016 0.000 1.587 705 H HN 0.332 nan 8.280 nan 0.000 0.500 706 V N 6.134 126.110 119.914 0.103 0.000 2.485 706 V HA -0.018 4.103 4.120 0.001 0.000 0.287 706 V C 0.941 177.136 176.094 0.168 0.000 1.022 706 V CA 0.209 62.583 62.300 0.123 0.000 1.067 706 V CB 0.111 31.941 31.823 0.011 0.000 0.967 706 V HN 0.498 nan 8.190 nan 0.000 0.479 707 L N 3.905 125.256 121.223 0.213 0.000 2.421 707 L HA 0.483 4.824 4.340 0.001 0.000 0.267 707 L C 1.269 178.227 176.870 0.148 0.000 1.036 707 L CA -0.714 54.211 54.840 0.142 0.000 0.829 707 L CB 0.806 42.919 42.059 0.091 0.000 1.437 707 L HN 0.513 nan 8.230 nan 0.000 0.488 708 E N -0.398 119.842 120.200 0.068 0.000 2.371 708 E HA -0.074 4.276 4.350 0.001 0.000 0.194 708 E C 1.515 178.080 176.600 -0.058 0.000 1.012 708 E CA 0.351 56.768 56.400 0.029 0.000 0.860 708 E CB 0.197 29.908 29.700 0.018 0.000 0.811 708 E HN 0.416 nan 8.360 nan 0.000 0.502 709 K N 0.208 120.570 120.400 -0.063 0.000 2.089 709 K HA -0.144 4.176 4.320 0.001 0.000 0.210 709 K C 1.258 177.702 176.600 -0.261 0.000 1.048 709 K CA 1.135 57.355 56.287 -0.113 0.000 0.926 709 K CB -0.230 32.230 32.500 -0.066 0.000 0.714 709 K HN 0.276 nan 8.250 nan 0.000 0.448 710 G N 0.517 109.005 108.800 -0.521 0.000 2.203 710 G HA2 -0.136 3.824 3.960 0.001 0.000 0.231 710 G HA3 -0.136 3.824 3.960 0.001 0.000 0.231 710 G C -0.334 174.131 174.900 -0.725 0.000 1.058 710 G CA -0.014 44.384 45.100 -1.170 0.000 0.781 710 G HN 0.549 nan 8.290 nan 0.000 0.496 711 A N -0.679 121.952 122.820 -0.315 0.000 2.442 711 A HA 0.790 5.110 4.320 0.001 0.000 0.284 711 A C -0.663 177.008 177.584 0.145 0.000 1.058 711 A CA -0.301 51.722 52.037 -0.024 0.000 0.738 711 A CB 2.145 21.122 19.000 -0.039 0.000 1.242 711 A HN 1.324 nan 8.150 nan 0.000 0.421 712 V N 2.880 122.921 119.914 0.212 0.000 2.483 712 V HA 0.595 4.716 4.120 0.001 0.000 0.297 712 V C 0.244 176.386 176.094 0.079 0.000 1.027 712 V CA -0.164 62.233 62.300 0.162 0.000 0.855 712 V CB 2.064 33.992 31.823 0.175 0.000 0.995 712 V HN 1.047 nan 8.190 nan 0.000 0.424 713 T N 2.691 117.265 114.554 0.033 0.000 2.767 713 T HA 0.809 5.159 4.350 0.001 0.000 0.288 713 T C -0.604 174.041 174.700 -0.092 0.000 0.963 713 T CA -0.596 61.485 62.100 -0.032 0.000 1.019 713 T CB 1.482 70.317 68.868 -0.055 0.000 0.923 713 T HN 0.319 nan 8.240 nan 0.000 0.468 714 V N 3.470 123.316 119.914 -0.113 0.000 2.876 714 V HA 0.444 4.564 4.120 0.001 0.000 0.312 714 V C -0.552 175.457 176.094 -0.141 0.000 1.085 714 V CA -1.085 61.156 62.300 -0.099 0.000 0.945 714 V CB 2.065 33.910 31.823 0.037 0.000 1.017 714 V HN 0.928 nan 8.190 nan 0.000 0.428 715 H N 3.746 122.870 119.070 0.089 0.000 2.463 715 H HA 0.671 5.227 4.556 0.001 0.000 0.332 715 H C -0.770 174.659 175.328 0.169 0.000 1.127 715 H CA -0.123 55.959 56.048 0.056 0.000 1.238 715 H CB 1.911 31.626 29.762 -0.079 0.000 1.478 715 H HN 0.649 nan 8.280 nan 0.000 0.499 716 F N -0.498 119.577 119.950 0.208 0.000 2.692 716 F HA 0.638 5.166 4.527 0.001 0.000 0.320 716 F C -0.807 175.115 175.800 0.203 0.000 1.123 716 F CA -1.175 56.922 58.000 0.161 0.000 0.961 716 F CB 1.540 40.525 39.000 -0.026 0.000 1.383 716 F HN 0.388 nan 8.300 nan 0.000 0.483 717 S N 0.025 115.884 115.700 0.266 0.000 2.541 717 S HA 0.874 5.344 4.470 0.001 0.000 0.280 717 S C -0.816 173.819 174.600 0.057 0.000 1.112 717 S CA 0.067 58.278 58.200 0.019 0.000 0.925 717 S CB 1.600 64.652 63.200 -0.247 0.000 1.067 717 S HN 1.337 nan 8.310 nan 0.000 0.479 718 T N -1.996 112.581 114.554 0.038 0.000 2.618 718 T HA 0.865 5.215 4.350 0.001 0.000 0.286 718 T C -0.372 174.356 174.700 0.046 0.000 1.027 718 T CA -0.470 61.667 62.100 0.061 0.000 1.063 718 T CB 1.173 70.137 68.868 0.160 0.000 1.440 718 T HN 1.855 nan 8.240 nan 0.000 0.505 719 A N 0.804 123.675 122.820 0.085 0.000 3.214 719 A HA 0.679 5.000 4.320 0.001 0.000 0.203 719 A C 0.022 177.690 177.584 0.138 0.000 0.960 719 A CA 0.011 52.112 52.037 0.107 0.000 1.113 719 A CB -0.468 18.569 19.000 0.060 0.000 1.280 719 A HN 1.601 nan 8.150 nan 0.000 0.573 720 S N -1.086 114.710 115.700 0.161 0.000 2.607 720 S HA 0.823 5.293 4.470 0.001 0.000 0.273 720 S C -2.508 172.170 174.600 0.129 0.000 1.148 720 S CA -0.911 57.367 58.200 0.130 0.000 0.833 720 S CB 1.790 65.059 63.200 0.115 0.000 1.130 720 S HN -0.027 nan 8.310 nan 0.000 0.470 721 P HA 0.154 nan 4.420 nan 0.000 0.214 721 P C -0.341 177.002 177.300 0.072 0.000 1.163 721 P CA 0.950 64.069 63.100 0.030 0.000 0.881 721 P CB 0.002 31.683 31.700 -0.030 0.000 0.775 722 Q N -0.019 119.820 119.800 0.064 0.000 2.523 722 Q HA 0.625 4.965 4.340 0.001 0.000 0.251 722 Q C -0.816 175.233 176.000 0.083 0.000 1.033 722 Q CA -0.604 55.241 55.803 0.069 0.000 0.746 722 Q CB 1.557 30.318 28.738 0.038 0.000 1.189 722 Q HN 0.104 nan 8.270 nan 0.000 0.508 723 A N 2.593 125.493 122.820 0.133 0.000 2.286 723 A HA 0.574 4.895 4.320 0.001 0.000 0.286 723 A C -0.221 177.428 177.584 0.109 0.000 1.097 723 A CA -0.516 51.623 52.037 0.171 0.000 0.821 723 A CB 0.644 19.820 19.000 0.294 0.000 1.076 723 A HN 0.574 nan 8.150 nan 0.000 0.490 724 N N 0.629 119.395 118.700 0.109 0.000 2.540 724 N HA 0.564 5.304 4.740 0.001 0.000 0.275 724 N C -1.670 173.877 175.510 0.062 0.000 1.053 724 N CA -0.071 52.968 53.050 -0.019 0.000 0.876 724 N CB 1.171 39.647 38.487 -0.018 0.000 1.284 724 N HN 0.545 nan 8.380 nan 0.000 0.518 725 F N 0.347 120.259 119.950 -0.062 0.000 2.576 725 F HA 0.683 5.210 4.527 0.001 0.000 0.313 725 F C -0.477 175.282 175.800 -0.070 0.000 1.078 725 F CA -1.159 56.798 58.000 -0.071 0.000 0.921 725 F CB 1.149 40.083 39.000 -0.109 0.000 1.232 725 F HN 0.065 nan 8.300 nan 0.000 0.459 726 I N 4.021 124.672 120.570 0.135 0.000 2.287 726 I HA 0.287 4.458 4.170 0.001 0.000 0.290 726 I C -0.479 175.733 176.117 0.159 0.000 1.069 726 I CA -0.825 60.525 61.300 0.084 0.000 1.237 726 I CB 1.000 39.051 38.000 0.085 0.000 1.418 726 I HN 0.430 nan 8.210 nan 0.000 0.481 727 V N 5.280 125.265 119.914 0.118 0.000 2.732 727 V HA 0.295 4.415 4.120 0.001 0.000 0.297 727 V C 0.445 176.603 176.094 0.106 0.000 1.060 727 V CA -0.209 62.155 62.300 0.106 0.000 1.038 727 V CB 1.741 33.621 31.823 0.095 0.000 1.003 727 V HN 0.858 nan 8.190 nan 0.000 0.481 728 S N 5.091 120.855 115.700 0.106 0.000 2.707 728 S HA 0.703 5.174 4.470 0.001 0.000 0.303 728 S C -0.965 173.672 174.600 0.062 0.000 1.132 728 S CA -0.777 57.503 58.200 0.135 0.000 1.046 728 S CB 0.904 64.308 63.200 0.340 0.000 1.004 728 S HN 0.448 nan 8.310 nan 0.000 0.483 729 L N 1.985 123.215 121.223 0.012 0.000 2.454 729 L HA 0.397 4.738 4.340 0.001 0.000 0.256 729 L C 1.540 178.394 176.870 -0.026 0.000 1.136 729 L CA -1.132 53.683 54.840 -0.042 0.000 0.804 729 L CB 0.303 42.286 42.059 -0.127 0.000 1.181 729 L HN 0.935 nan 8.230 nan 0.000 0.469 730 c N 1.240 119.810 118.600 -0.050 0.000 2.119 730 c HA -0.338 4.232 4.570 0.001 0.000 0.221 730 c C 2.107 176.199 174.090 0.004 0.000 1.056 730 c CA 1.715 58.026 56.329 -0.029 0.000 1.803 730 c CB -1.425 41.055 42.510 -0.049 0.000 1.371 730 c HN 1.105 nan 8.230 nan 0.000 0.341 731 G N -0.239 108.559 108.800 -0.004 0.000 2.781 731 G HA2 0.165 4.125 3.960 0.001 0.000 0.208 731 G HA3 0.165 4.125 3.960 0.001 0.000 0.208 731 G C 0.345 175.251 174.900 0.009 0.000 1.099 731 G CA 0.119 45.226 45.100 0.011 0.000 0.776 731 G HN 0.497 nan 8.290 nan 0.000 0.532 732 K N 0.965 121.363 120.400 -0.004 0.000 2.107 732 K HA 0.533 4.853 4.320 0.001 0.000 0.251 732 K C -0.282 176.325 176.600 0.011 0.000 1.012 732 K CA 0.084 56.369 56.287 -0.004 0.000 0.920 732 K CB 1.258 33.748 32.500 -0.017 0.000 1.033 732 K HN 0.104 nan 8.250 nan 0.000 0.478 733 K N 0.200 120.603 120.400 0.005 0.000 2.469 733 K HA 0.418 4.738 4.320 0.001 0.000 0.254 733 K C -0.274 176.326 176.600 -0.000 0.000 0.939 733 K CA -0.650 55.646 56.287 0.015 0.000 0.812 733 K CB 2.122 34.617 32.500 -0.009 0.000 1.301 733 K HN 0.852 nan 8.250 nan 0.000 0.433 734 T N -2.617 111.936 114.554 -0.001 0.000 2.590 734 T HA 0.595 4.945 4.350 0.001 0.000 0.282 734 T C -0.677 173.988 174.700 -0.059 0.000 0.989 734 T CA -0.730 61.353 62.100 -0.028 0.000 1.091 734 T CB 1.536 70.388 68.868 -0.028 0.000 1.460 734 T HN 0.609 nan 8.240 nan 0.000 0.499 735 T N -1.408 113.085 114.554 -0.102 0.000 2.933 735 T HA 0.698 5.048 4.350 0.001 0.000 0.305 735 T C -0.601 173.939 174.700 -0.266 0.000 1.092 735 T CA -0.783 61.208 62.100 -0.182 0.000 1.008 735 T CB 0.614 69.398 68.868 -0.139 0.000 1.102 735 T HN 1.001 nan 8.240 nan 0.000 0.469 736 c N 2.359 120.657 118.600 -0.503 0.000 2.595 736 c HA 0.947 5.517 4.570 0.001 0.000 0.338 736 c C -0.283 173.497 174.090 -0.517 0.000 1.219 736 c CA -0.704 55.296 56.329 -0.548 0.000 1.811 736 c CB 1.364 43.397 42.510 -0.795 0.000 2.313 736 c HN 1.025 nan 8.230 nan 0.000 0.499 737 N N -0.043 118.483 118.700 -0.291 0.000 2.504 737 N HA 0.803 5.543 4.740 0.001 0.000 0.268 737 N C -1.168 174.324 175.510 -0.029 0.000 1.184 737 N CA 0.046 53.003 53.050 -0.154 0.000 0.875 737 N CB 2.134 40.557 38.487 -0.107 0.000 1.630 737 N HN 1.194 nan 8.380 nan 0.000 0.486 738 A N 0.700 123.541 122.820 0.036 0.000 2.489 738 A HA 0.525 4.845 4.320 0.001 0.000 0.293 738 A C -1.810 175.838 177.584 0.107 0.000 1.004 738 A CA -0.693 51.399 52.037 0.091 0.000 0.626 738 A CB 0.798 19.895 19.000 0.162 0.000 1.345 738 A HN 0.517 nan 8.150 nan 0.000 0.447 739 E N -0.192 120.069 120.200 0.101 0.000 2.183 739 E HA 0.606 4.957 4.350 0.001 0.000 0.271 739 E C -0.821 175.851 176.600 0.120 0.000 0.919 739 E CA -0.576 55.879 56.400 0.092 0.000 0.781 739 E CB 1.774 31.508 29.700 0.057 0.000 1.140 739 E HN 0.719 nan 8.360 nan 0.000 0.402 740 c N 0.000 118.680 118.600 0.133 0.000 2.653 740 c HA 0.000 4.570 4.570 0.001 0.000 0.325 740 c CA 0.000 56.446 56.329 0.195 0.000 1.963 740 c CB 0.000 42.658 42.510 0.246 0.000 2.134 740 c HN 0.000 nan 8.230 nan 0.000 0.568