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 3njp_1_A DATA FIRST_RESID 1 DATA SEQUENCE LEEKKVcQGT SNKLTQLGTF EDHFLSLQRM FNNcEVVLGN LEITYVQRNY DATA SEQUENCE DLSFLKTIQE VAGYVLIALN TVERIPLENL QIIRGNMYYE NSYALAVLSN DATA SEQUENCE YDANKTGLKE LPMRNLQEIL HGAVRFSNNP ALcNVESIQW RDIVSSDFLS DATA SEQUENCE NMSMDFQNHL GScQKcDPSc PNGScWGAGE ENcQKLTKII cAQQcSGRcR DATA SEQUENCE GKSPSDccHN QcAAGcTGPR ESDcLVcRKF RDEATcKDTc PPLMLYNPTT DATA SEQUENCE YQMDVNPEGK YSFGATcVKK cPRNYVVTDH GScVRAcGAD SYEMEEDGVR DATA SEQUENCE KcKKcEGPcR KVcNGIGIGE FKDSLSINAT NIKHFKNcTS ISGDLHILPV DATA SEQUENCE AFRGDSFTHT PPLDPQELDI LKTVKEITGF LLIQAWPENR TDLHAFENLE DATA SEQUENCE IIRGRTKQHG QFSLAVVSLN ITSLGLRSLK EISDGDVIIS GNKNLcYANT DATA SEQUENCE INWKKLFGTS GQKTKIISNR GENScKATGQ VcHALcSPEG cWGPEPRDcV DATA SEQUENCE ScRNVSRGRE cVDKcKLLEG EPREFVENSE cIQcHPEcLP QAMNITcTGR DATA SEQUENCE GPDNcIQcAH YIDGPHcVKT cPAGVMGENN TLVWKYADAG HVcHLcHPNc DATA SEQUENCE TYGcTGPGLE GcPT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.872 176.870 0.004 0.000 1.165 1 L CA 0.000 54.842 54.840 0.003 0.000 0.813 1 L CB 0.000 42.061 42.059 0.003 0.000 0.961 2 E N 1.722 121.924 120.200 0.004 0.000 2.013 2 E HA -0.033 4.317 4.350 0.000 0.000 0.194 2 E C 0.278 176.883 176.600 0.008 0.000 0.973 2 E CA 0.955 57.358 56.400 0.006 0.000 0.842 2 E CB 0.074 29.778 29.700 0.006 0.000 0.801 2 E HN 0.772 nan 8.360 nan 0.000 0.476 3 E N 0.583 120.788 120.200 0.009 0.000 2.239 3 E HA 0.466 4.816 4.350 0.000 0.000 0.261 3 E C -0.632 175.972 176.600 0.008 0.000 1.016 3 E CA -0.731 55.675 56.400 0.011 0.000 0.882 3 E CB 1.486 31.194 29.700 0.013 0.000 1.190 3 E HN -0.181 nan 8.360 nan 0.000 0.415 4 K N 0.720 121.126 120.400 0.009 0.000 2.328 4 K HA 0.360 4.680 4.320 0.000 0.000 0.246 4 K C -0.895 175.708 176.600 0.005 0.000 0.955 4 K CA -1.026 55.266 56.287 0.007 0.000 0.817 4 K CB 1.934 34.439 32.500 0.008 0.000 1.208 4 K HN 0.326 nan 8.250 nan 0.000 0.432 5 K N 1.493 121.895 120.400 0.004 0.000 2.322 5 K HA 0.200 4.520 4.320 0.000 0.000 0.283 5 K C -0.093 176.506 176.600 -0.000 0.000 1.042 5 K CA -0.563 55.723 56.287 -0.002 0.000 0.958 5 K CB 0.830 33.328 32.500 -0.003 0.000 0.984 5 K HN 0.381 nan 8.250 nan 0.000 0.473 6 V N -0.371 119.537 119.914 -0.010 0.000 2.769 6 V HA 0.661 4.781 4.120 0.000 0.000 0.312 6 V C -0.163 175.909 176.094 -0.037 0.000 1.058 6 V CA -1.079 61.213 62.300 -0.013 0.000 0.952 6 V CB 1.129 32.945 31.823 -0.012 0.000 1.019 6 V HN 1.027 nan 8.190 nan 0.000 0.445 7 c N 2.183 120.758 118.600 -0.042 0.000 2.634 7 c HA 0.683 5.253 4.570 0.000 0.000 0.313 7 c C 1.069 175.094 174.090 -0.108 0.000 1.198 7 c CA -0.428 55.836 56.329 -0.108 0.000 1.605 7 c CB 1.378 43.786 42.510 -0.169 0.000 2.196 7 c HN 0.963 nan 8.230 nan 0.000 0.486 8 Q N 1.517 121.230 119.800 -0.145 0.000 2.167 8 Q HA 0.364 4.704 4.340 0.000 0.000 0.202 8 Q C 1.115 177.059 176.000 -0.093 0.000 0.970 8 Q CA 2.192 57.936 55.803 -0.098 0.000 0.855 8 Q CB -0.537 28.152 28.738 -0.081 0.000 0.911 8 Q HN 1.960 nan 8.270 nan 0.000 0.438 9 G N -0.691 108.003 108.800 -0.176 0.000 2.733 9 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 9 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 9 G C -0.184 174.672 174.900 -0.073 0.000 1.373 9 G CA -0.220 44.828 45.100 -0.086 0.000 0.838 9 G HN 0.545 nan 8.290 nan 0.000 0.588 10 T N -2.152 112.423 114.554 0.035 0.000 2.936 10 T HA 0.811 5.161 4.350 0.000 0.000 0.282 10 T C 0.575 175.298 174.700 0.038 0.000 1.003 10 T CA 0.324 62.447 62.100 0.038 0.000 1.005 10 T CB 2.080 71.009 68.868 0.101 0.000 1.097 10 T HN 1.563 nan 8.240 nan 0.000 0.532 11 S N 0.976 116.720 115.700 0.073 0.000 2.801 11 S HA 0.252 4.723 4.470 0.000 0.000 0.236 11 S C 0.219 174.906 174.600 0.145 0.000 0.852 11 S CA -0.752 57.514 58.200 0.109 0.000 1.089 11 S CB -0.209 63.050 63.200 0.099 0.000 1.376 11 S HN 0.748 nan 8.310 nan 0.000 0.470 12 N N 1.760 120.552 118.700 0.154 0.000 2.254 12 N HA 0.180 4.921 4.740 0.000 0.000 0.190 12 N C 0.705 176.335 175.510 0.200 0.000 1.107 12 N CA 0.036 53.185 53.050 0.165 0.000 0.869 12 N CB 0.273 38.858 38.487 0.163 0.000 0.983 12 N HN 0.393 nan 8.380 nan 0.000 0.487 13 K N 0.045 120.589 120.400 0.240 0.000 2.081 13 K HA -0.242 4.078 4.320 0.000 0.000 0.150 13 K C 0.669 177.395 176.600 0.209 0.000 0.905 13 K CA 1.698 58.157 56.287 0.286 0.000 0.333 13 K CB -1.278 31.400 32.500 0.296 0.000 0.733 13 K HN 0.011 nan 8.250 nan 0.000 0.766 14 L N 1.638 122.982 121.223 0.202 0.000 2.592 14 L HA 0.091 4.431 4.340 0.000 0.000 0.227 14 L C 0.551 177.592 176.870 0.285 0.000 1.127 14 L CA -0.058 54.878 54.840 0.161 0.000 0.884 14 L CB 0.189 42.338 42.059 0.151 0.000 1.065 14 L HN 0.346 nan 8.230 nan 0.000 0.457 15 T N 0.847 115.560 114.554 0.266 0.000 2.930 15 T HA 0.017 4.367 4.350 0.000 0.000 0.306 15 T C 0.074 175.018 174.700 0.405 0.000 1.045 15 T CA 0.226 62.487 62.100 0.267 0.000 1.134 15 T CB 0.992 69.970 68.868 0.184 0.000 0.961 15 T HN 0.181 nan 8.240 nan 0.000 0.545 16 Q N 3.074 123.034 119.800 0.266 0.000 2.325 16 Q HA 0.390 4.730 4.340 0.000 0.000 0.262 16 Q C -0.955 175.184 176.000 0.233 0.000 0.968 16 Q CA -0.681 55.231 55.803 0.183 0.000 0.877 16 Q CB 0.529 29.024 28.738 -0.406 0.000 1.253 16 Q HN 0.602 nan 8.270 nan 0.000 0.448 17 L N 5.446 126.966 121.223 0.495 0.000 2.356 17 L HA 0.408 4.748 4.340 0.000 0.000 0.282 17 L C 0.948 177.914 176.870 0.161 0.000 1.132 17 L CA 0.135 55.114 54.840 0.232 0.000 0.923 17 L CB -0.715 41.419 42.059 0.124 0.000 1.278 17 L HN 1.069 nan 8.230 nan 0.000 0.436 18 G N 2.794 111.635 108.800 0.068 0.000 2.528 18 G HA2 -0.290 3.670 3.960 0.000 0.000 0.262 18 G HA3 -0.290 3.670 3.960 0.000 0.000 0.262 18 G C 0.092 174.976 174.900 -0.025 0.000 1.200 18 G CA -0.067 45.046 45.100 0.020 0.000 0.951 18 G HN 0.691 nan 8.290 nan 0.000 0.566 19 T N -1.603 112.938 114.554 -0.022 0.000 2.847 19 T HA 0.612 4.962 4.350 0.000 0.000 0.279 19 T C 1.409 176.139 174.700 0.050 0.000 0.984 19 T CA 0.462 62.501 62.100 -0.102 0.000 0.988 19 T CB 0.926 69.750 68.868 -0.074 0.000 1.040 19 T HN 0.593 nan 8.240 nan 0.000 0.528 20 F N 0.019 119.977 119.950 0.013 0.000 2.115 20 F HA -0.177 4.350 4.527 0.000 0.000 0.300 20 F C 2.792 178.642 175.800 0.084 0.000 1.092 20 F CA 1.758 59.771 58.000 0.023 0.000 1.245 20 F CB -0.175 38.830 39.000 0.008 0.000 0.995 20 F HN 0.798 nan 8.300 nan 0.000 0.481 21 E N 0.690 121.078 120.200 0.313 0.000 2.028 21 E HA -0.219 4.131 4.350 0.000 0.000 0.191 21 E C 1.812 178.582 176.600 0.283 0.000 0.988 21 E CA 1.548 58.130 56.400 0.303 0.000 0.799 21 E CB -0.098 29.764 29.700 0.270 0.000 0.755 21 E HN 0.261 nan 8.360 nan 0.000 0.447 22 D N -0.236 120.286 120.400 0.203 0.000 2.127 22 D HA -0.256 4.385 4.640 0.000 0.000 0.190 22 D C 1.877 178.285 176.300 0.180 0.000 1.000 22 D CA 1.860 55.953 54.000 0.154 0.000 0.839 22 D CB -0.755 40.106 40.800 0.101 0.000 0.955 22 D HN 0.358 nan 8.370 nan 0.000 0.446 23 H N -0.287 118.865 119.070 0.137 0.000 2.265 23 H HA -0.209 4.347 4.556 0.000 0.000 0.293 23 H C 2.050 177.471 175.328 0.155 0.000 1.089 23 H CA 2.239 58.379 56.048 0.153 0.000 1.244 23 H CB -0.640 29.255 29.762 0.221 0.000 1.355 23 H HN 0.136 nan 8.280 nan 0.000 0.485 24 F N 0.211 120.256 119.950 0.159 0.000 2.120 24 F HA -0.222 4.305 4.527 0.000 0.000 0.300 24 F C 2.402 178.236 175.800 0.057 0.000 1.095 24 F CA 1.580 59.614 58.000 0.056 0.000 1.249 24 F CB -0.474 38.441 39.000 -0.142 0.000 0.995 24 F HN 0.271 nan 8.300 nan 0.000 0.480 25 L N -0.774 120.550 121.223 0.169 0.000 2.083 25 L HA -0.222 4.118 4.340 0.000 0.000 0.209 25 L C 2.490 179.290 176.870 -0.118 0.000 1.083 25 L CA 1.626 56.491 54.840 0.043 0.000 0.752 25 L CB -0.529 41.604 42.059 0.122 0.000 0.899 25 L HN 0.103 nan 8.230 nan 0.000 0.433 26 S N -0.162 115.472 115.700 -0.109 0.000 2.356 26 S HA -0.211 4.259 4.470 0.000 0.000 0.223 26 S C 1.757 176.232 174.600 -0.208 0.000 1.032 26 S CA 1.542 59.645 58.200 -0.161 0.000 1.005 26 S CB -0.420 62.687 63.200 -0.157 0.000 0.867 26 S HN 0.393 nan 8.310 nan 0.000 0.449 27 L N 1.893 122.987 121.223 -0.215 0.000 2.042 27 L HA -0.181 4.160 4.340 0.000 0.000 0.210 27 L C 2.467 179.244 176.870 -0.156 0.000 1.076 27 L CA 1.981 56.771 54.840 -0.083 0.000 0.749 27 L CB -0.614 41.401 42.059 -0.074 0.000 0.893 27 L HN 0.350 nan 8.230 nan 0.000 0.432 28 Q N -0.705 118.812 119.800 -0.473 0.000 2.046 28 Q HA -0.228 4.112 4.340 0.000 0.000 0.200 28 Q C 2.362 177.987 176.000 -0.626 0.000 0.975 28 Q CA 1.627 56.900 55.803 -0.883 0.000 0.836 28 Q CB -0.123 28.170 28.738 -0.741 0.000 0.896 28 Q HN 0.512 nan 8.270 nan 0.000 0.428 29 R N -0.235 120.038 120.500 -0.378 0.000 2.096 29 R HA -0.166 4.174 4.340 0.000 0.000 0.235 29 R C 2.342 178.458 176.300 -0.306 0.000 1.127 29 R CA 1.645 57.573 56.100 -0.287 0.000 0.968 29 R CB -0.312 29.863 30.300 -0.208 0.000 0.861 29 R HN 0.353 nan 8.270 nan 0.000 0.440 30 M N -0.108 119.279 119.600 -0.356 0.000 2.098 30 M HA -0.066 4.414 4.480 0.000 0.000 0.262 30 M C 1.023 176.997 176.300 -0.543 0.000 1.072 30 M CA 1.823 56.818 55.300 -0.507 0.000 1.133 30 M CB -0.041 32.124 32.600 -0.726 0.000 1.344 30 M HN 0.003 nan 8.290 nan 0.000 0.414 31 F N -0.105 119.732 119.950 -0.188 0.000 2.693 31 F HA 0.285 4.813 4.527 0.000 0.000 0.303 31 F C 0.446 176.191 175.800 -0.091 0.000 1.097 31 F CA -0.602 57.351 58.000 -0.078 0.000 1.330 31 F CB -0.685 38.363 39.000 0.080 0.000 1.067 31 F HN 0.125 nan 8.300 nan 0.000 0.565 32 N N 1.822 120.429 118.700 -0.155 0.000 2.438 32 N HA -0.043 4.697 4.740 0.000 0.000 0.267 32 N C 0.375 175.872 175.510 -0.022 0.000 1.222 32 N CA 0.749 53.710 53.050 -0.148 0.000 0.930 32 N CB -0.374 37.959 38.487 -0.256 0.000 1.083 32 N HN 0.414 nan 8.380 nan 0.000 0.476 33 N N 0.032 118.767 118.700 0.058 0.000 2.972 33 N HA -0.257 4.483 4.740 0.000 0.000 0.225 33 N C -0.247 175.293 175.510 0.049 0.000 0.883 33 N CA 0.748 53.826 53.050 0.047 0.000 1.010 33 N CB -1.302 37.190 38.487 0.009 0.000 1.052 33 N HN 0.564 nan 8.380 nan 0.000 0.598 34 c N 1.850 120.492 118.600 0.069 0.000 2.596 34 c HA 0.035 4.605 4.570 0.000 0.000 0.414 34 c C 1.633 175.771 174.090 0.080 0.000 1.396 34 c CA 0.475 56.847 56.329 0.072 0.000 1.698 34 c CB 0.162 42.744 42.510 0.119 0.000 2.572 34 c HN 0.353 nan 8.230 nan 0.000 0.604 35 E N 2.511 122.740 120.200 0.049 0.000 2.330 35 E HA 0.164 4.514 4.350 0.000 0.000 0.200 35 E C -0.393 176.227 176.600 0.034 0.000 0.922 35 E CA 0.347 56.770 56.400 0.037 0.000 0.935 35 E CB 0.593 30.306 29.700 0.021 0.000 0.917 35 E HN 0.554 nan 8.360 nan 0.000 0.491 36 V N 2.294 122.228 119.914 0.034 0.000 2.483 36 V HA 0.199 4.319 4.120 0.000 0.000 0.297 36 V C -0.473 175.645 176.094 0.040 0.000 1.027 36 V CA -0.790 61.527 62.300 0.028 0.000 0.855 36 V CB 2.065 33.895 31.823 0.012 0.000 0.995 36 V HN -0.098 nan 8.190 nan 0.000 0.424 37 V N 6.677 126.624 119.914 0.055 0.000 2.320 37 V HA 0.227 4.347 4.120 0.000 0.000 0.265 37 V C 1.247 177.357 176.094 0.026 0.000 1.048 37 V CA -0.099 62.246 62.300 0.076 0.000 0.865 37 V CB 0.862 32.774 31.823 0.148 0.000 1.043 37 V HN 0.781 nan 8.190 nan 0.000 0.474 38 L N 3.365 124.590 121.223 0.003 0.000 2.131 38 L HA -0.018 4.322 4.340 0.000 0.000 0.210 38 L C 1.950 178.807 176.870 -0.020 0.000 1.092 38 L CA 1.797 56.628 54.840 -0.016 0.000 0.759 38 L CB -0.371 41.675 42.059 -0.023 0.000 0.903 38 L HN 0.778 nan 8.230 nan 0.000 0.435 39 G N -1.063 107.726 108.800 -0.019 0.000 3.387 39 G HA2 0.187 4.147 3.960 0.000 0.000 0.195 39 G HA3 0.187 4.147 3.960 0.000 0.000 0.195 39 G C -0.161 174.693 174.900 -0.076 0.000 1.853 39 G CA -0.359 44.720 45.100 -0.036 0.000 0.879 39 G HN 0.084 nan 8.290 nan 0.000 0.651 40 N N -0.571 118.059 118.700 -0.116 0.000 2.362 40 N HA 0.485 5.225 4.740 0.000 0.000 0.299 40 N C -1.499 173.975 175.510 -0.061 0.000 1.170 40 N CA -0.529 52.359 53.050 -0.269 0.000 0.825 40 N CB 2.370 40.455 38.487 -0.669 0.000 1.299 40 N HN 0.234 nan 8.380 nan 0.000 0.502 41 L N 1.033 122.168 121.223 -0.147 0.000 2.371 41 L HA 0.362 4.702 4.340 0.000 0.000 0.262 41 L C -0.629 176.137 176.870 -0.174 0.000 1.054 41 L CA -0.200 54.550 54.840 -0.150 0.000 0.924 41 L CB -0.030 41.895 42.059 -0.223 0.000 1.295 41 L HN 0.414 nan 8.230 nan 0.000 0.441 42 E N 5.669 125.826 120.200 -0.071 0.000 2.055 42 E HA 0.374 4.724 4.350 0.000 0.000 0.274 42 E C -0.779 175.793 176.600 -0.046 0.000 0.949 42 E CA -0.151 56.228 56.400 -0.035 0.000 0.775 42 E CB 1.345 31.080 29.700 0.059 0.000 1.097 42 E HN 0.531 nan 8.360 nan 0.000 0.404 43 I N 3.723 124.232 120.570 -0.101 0.000 2.337 43 I HA 0.184 4.354 4.170 0.000 0.000 0.285 43 I C 0.032 176.110 176.117 -0.064 0.000 1.041 43 I CA -0.380 60.875 61.300 -0.075 0.000 1.199 43 I CB 0.691 38.612 38.000 -0.131 0.000 1.370 43 I HN 0.391 nan 8.210 nan 0.000 0.470 44 T N 0.351 114.925 114.554 0.033 0.000 2.906 44 T HA 0.495 4.845 4.350 0.000 0.000 0.295 44 T C 0.023 174.642 174.700 -0.136 0.000 1.061 44 T CA -0.609 61.378 62.100 -0.188 0.000 1.000 44 T CB 1.100 69.742 68.868 -0.376 0.000 1.103 44 T HN 0.570 nan 8.240 nan 0.000 0.486 45 Y N -1.208 118.997 120.300 -0.157 0.000 3.825 45 Y HA -0.181 4.369 4.550 0.000 0.000 0.221 45 Y C 0.282 176.012 175.900 -0.284 0.000 1.195 45 Y CA -0.167 57.756 58.100 -0.296 0.000 1.699 45 Y CB -2.301 35.930 38.460 -0.382 0.000 1.531 45 Y HN 0.562 nan 8.280 nan 0.000 0.640 46 V N 2.337 122.213 119.914 -0.064 0.000 2.389 46 V HA 0.088 4.208 4.120 0.000 0.000 0.264 46 V C 0.626 176.635 176.094 -0.140 0.000 1.049 46 V CA -0.648 61.617 62.300 -0.059 0.000 0.932 46 V CB 0.988 32.849 31.823 0.064 0.000 1.011 46 V HN 0.155 nan 8.190 nan 0.000 0.475 47 Q N 3.769 123.433 119.800 -0.227 0.000 2.308 47 Q HA 0.401 4.741 4.340 0.000 0.000 0.207 47 Q C 0.511 176.596 176.000 0.141 0.000 1.035 47 Q CA -0.588 55.174 55.803 -0.069 0.000 1.008 47 Q CB 0.543 29.274 28.738 -0.012 0.000 1.168 47 Q HN 0.493 nan 8.270 nan 0.000 0.565 48 R N 1.032 121.586 120.500 0.089 0.000 2.924 48 R HA -0.105 4.235 4.340 0.000 0.000 0.272 48 R C 0.963 177.294 176.300 0.052 0.000 1.012 48 R CA 0.537 56.674 56.100 0.062 0.000 1.171 48 R CB -0.405 29.910 30.300 0.026 0.000 1.086 48 R HN 0.845 nan 8.270 nan 0.000 0.489 49 N N -0.474 118.220 118.700 -0.009 0.000 2.065 49 N HA -0.340 4.400 4.740 0.000 0.000 0.169 49 N C -1.043 174.445 175.510 -0.037 0.000 0.608 49 N CA 2.115 55.115 53.050 -0.082 0.000 1.363 49 N CB -1.460 36.891 38.487 -0.226 0.000 1.390 49 N HN 0.580 nan 8.380 nan 0.000 0.417 50 Y N 0.859 121.062 120.300 -0.162 0.000 2.583 50 Y HA -0.178 4.372 4.550 0.000 0.000 0.122 50 Y C 0.122 175.990 175.900 -0.053 0.000 1.728 50 Y CA 1.365 59.295 58.100 -0.284 0.000 1.356 50 Y CB -0.684 37.485 38.460 -0.484 0.000 1.995 50 Y HN 0.408 nan 8.280 nan 0.000 0.268 51 D N 4.718 125.236 120.400 0.197 0.000 2.338 51 D HA 0.178 4.819 4.640 0.000 0.000 0.255 51 D C 0.061 176.536 176.300 0.291 0.000 1.237 51 D CA 0.019 54.153 54.000 0.222 0.000 0.883 51 D CB 0.474 41.397 40.800 0.205 0.000 1.087 51 D HN 0.574 nan 8.370 nan 0.000 0.485 52 L N 3.363 124.614 121.223 0.046 0.000 3.034 52 L HA 0.123 4.463 4.340 0.000 0.000 0.245 52 L C 1.668 178.277 176.870 -0.435 0.000 1.295 52 L CA -0.193 54.462 54.840 -0.307 0.000 1.068 52 L CB 0.142 42.086 42.059 -0.193 0.000 1.426 52 L HN 0.268 nan 8.230 nan 0.000 0.531 53 S N 0.464 116.026 115.700 -0.230 0.000 2.428 53 S HA -0.120 4.350 4.470 0.000 0.000 0.230 53 S C 1.704 176.233 174.600 -0.118 0.000 1.014 53 S CA 0.894 59.022 58.200 -0.120 0.000 0.957 53 S CB -0.078 63.128 63.200 0.011 0.000 0.784 53 S HN 0.645 nan 8.310 nan 0.000 0.499 54 F N 1.069 121.043 119.950 0.041 0.000 2.494 54 F HA 0.126 4.653 4.527 0.000 0.000 0.298 54 F C 1.372 177.177 175.800 0.009 0.000 1.106 54 F CA 0.422 58.437 58.000 0.025 0.000 1.452 54 F CB -0.941 38.075 39.000 0.027 0.000 1.085 54 F HN 0.075 nan 8.300 nan 0.000 0.569 55 L N 0.420 121.473 121.223 -0.284 0.000 2.291 55 L HA -0.052 4.288 4.340 0.000 0.000 0.214 55 L C 2.295 179.119 176.870 -0.077 0.000 1.120 55 L CA 0.808 55.550 54.840 -0.164 0.000 0.799 55 L CB -0.610 41.258 42.059 -0.318 0.000 0.925 55 L HN 0.146 nan 8.230 nan 0.000 0.446 56 K N -0.134 120.227 120.400 -0.066 0.000 2.281 56 K HA -0.148 4.172 4.320 0.000 0.000 0.203 56 K C 1.739 178.331 176.600 -0.014 0.000 1.046 56 K CA 1.769 58.030 56.287 -0.042 0.000 0.938 56 K CB -0.255 32.227 32.500 -0.029 0.000 0.737 56 K HN 0.412 nan 8.250 nan 0.000 0.458 57 T N -1.347 113.220 114.554 0.022 0.000 3.188 57 T HA 0.207 4.558 4.350 0.000 0.000 0.250 57 T C 0.585 175.304 174.700 0.032 0.000 1.077 57 T CA -0.218 61.901 62.100 0.032 0.000 0.967 57 T CB -0.247 68.655 68.868 0.057 0.000 1.006 57 T HN -0.033 nan 8.240 nan 0.000 0.552 58 I N 2.269 122.849 120.570 0.017 0.000 2.312 58 I HA 0.240 4.410 4.170 0.000 0.000 0.291 58 I C 1.089 177.198 176.117 -0.014 0.000 1.031 58 I CA -0.445 60.863 61.300 0.014 0.000 1.293 58 I CB 1.483 39.482 38.000 -0.003 0.000 1.403 58 I HN 0.240 nan 8.210 nan 0.000 0.484 59 Q N 5.091 124.888 119.800 -0.004 0.000 2.324 59 Q HA 0.091 4.432 4.340 0.000 0.000 0.207 59 Q C -0.364 175.627 176.000 -0.016 0.000 0.928 59 Q CA 0.450 56.243 55.803 -0.016 0.000 0.890 59 Q CB 0.604 29.336 28.738 -0.009 0.000 1.001 59 Q HN 0.703 nan 8.270 nan 0.000 0.517 60 E N -0.280 119.918 120.200 -0.003 0.000 2.321 60 E HA 0.539 4.889 4.350 0.000 0.000 0.278 60 E C -1.362 175.243 176.600 0.009 0.000 0.902 60 E CA -0.740 55.660 56.400 0.001 0.000 0.758 60 E CB 2.228 31.929 29.700 0.003 0.000 1.213 60 E HN -0.218 nan 8.360 nan 0.000 0.426 61 V N 2.232 122.152 119.914 0.010 0.000 2.409 61 V HA 0.435 4.555 4.120 0.000 0.000 0.291 61 V C 0.849 176.953 176.094 0.016 0.000 1.020 61 V CA -0.003 62.304 62.300 0.012 0.000 0.848 61 V CB 1.117 32.939 31.823 -0.001 0.000 0.990 61 V HN 1.008 nan 8.190 nan 0.000 0.430 62 A N 4.330 127.154 122.820 0.006 0.000 1.841 62 A HA 0.155 4.475 4.320 0.000 0.000 0.214 62 A C 1.777 179.370 177.584 0.014 0.000 1.195 62 A CA 1.635 53.673 52.037 0.002 0.000 0.611 62 A CB -0.827 18.161 19.000 -0.019 0.000 0.835 62 A HN 0.950 nan 8.150 nan 0.000 0.443 63 G N -1.121 107.675 108.800 -0.007 0.000 2.913 63 G HA2 0.352 4.312 3.960 0.000 0.000 0.145 63 G HA3 0.352 4.312 3.960 0.000 0.000 0.145 63 G C 0.246 175.204 174.900 0.097 0.000 1.801 63 G CA 0.512 45.619 45.100 0.012 0.000 1.033 63 G HN 0.796 nan 8.290 nan 0.000 0.495 64 Y N -2.291 118.057 120.300 0.080 0.000 2.587 64 Y HA 0.721 5.271 4.550 0.000 0.000 0.337 64 Y C -0.712 175.211 175.900 0.039 0.000 1.065 64 Y CA -1.785 56.368 58.100 0.089 0.000 1.126 64 Y CB 1.594 40.145 38.460 0.151 0.000 1.279 64 Y HN 0.221 nan 8.280 nan 0.000 0.489 65 V N 4.025 124.059 119.914 0.199 0.000 2.347 65 V HA 0.324 4.444 4.120 0.000 0.000 0.280 65 V C -0.856 175.277 176.094 0.066 0.000 1.021 65 V CA -0.560 61.769 62.300 0.048 0.000 0.847 65 V CB 0.982 32.805 31.823 -0.001 0.000 0.990 65 V HN 0.717 nan 8.190 nan 0.000 0.444 66 L N 7.413 128.643 121.223 0.012 0.000 2.296 66 L HA 0.651 4.991 4.340 0.000 0.000 0.286 66 L C -0.493 176.266 176.870 -0.185 0.000 1.023 66 L CA 0.147 54.910 54.840 -0.128 0.000 0.812 66 L CB 1.148 43.160 42.059 -0.078 0.000 1.223 66 L HN 0.562 nan 8.230 nan 0.000 0.421 67 I N 6.020 126.440 120.570 -0.249 0.000 2.563 67 I HA 0.636 4.806 4.170 0.000 0.000 0.276 67 I C -0.514 175.450 176.117 -0.254 0.000 1.074 67 I CA -0.297 60.874 61.300 -0.214 0.000 1.124 67 I CB 1.121 39.023 38.000 -0.164 0.000 1.225 67 I HN 0.758 nan 8.210 nan 0.000 0.482 68 A N 5.808 128.466 122.820 -0.270 0.000 2.486 68 A HA 0.829 5.149 4.320 0.000 0.000 0.300 68 A C 0.106 177.481 177.584 -0.348 0.000 1.048 68 A CA -0.450 51.408 52.037 -0.298 0.000 0.696 68 A CB 1.512 20.328 19.000 -0.307 0.000 1.278 68 A HN 0.678 nan 8.150 nan 0.000 0.405 69 L N 0.761 121.786 121.223 -0.330 0.000 3.598 69 L HA -0.174 4.166 4.340 0.000 0.000 0.422 69 L C -0.548 176.159 176.870 -0.273 0.000 1.262 69 L CA 0.039 54.680 54.840 -0.332 0.000 0.889 69 L CB -1.864 39.916 42.059 -0.466 0.000 1.857 69 L HN 0.753 nan 8.230 nan 0.000 0.858 70 N N 0.245 118.818 118.700 -0.211 0.000 2.417 70 N HA 0.363 5.103 4.740 0.000 0.000 0.274 70 N C 1.146 176.599 175.510 -0.096 0.000 0.987 70 N CA 0.254 53.217 53.050 -0.145 0.000 0.912 70 N CB 1.822 40.243 38.487 -0.110 0.000 1.177 70 N HN 0.265 nan 8.380 nan 0.000 0.490 71 T N -2.129 112.374 114.554 -0.086 0.000 3.081 71 T HA 0.046 4.396 4.350 0.000 0.000 0.250 71 T C 1.079 175.776 174.700 -0.004 0.000 1.100 71 T CA -0.069 62.011 62.100 -0.033 0.000 1.038 71 T CB 0.019 68.863 68.868 -0.039 0.000 0.962 71 T HN 0.219 nan 8.240 nan 0.000 0.516 72 V N 1.650 121.560 119.914 -0.007 0.000 3.178 72 V HA 0.112 4.232 4.120 0.000 0.000 0.306 72 V C 1.426 177.535 176.094 0.026 0.000 1.107 72 V CA 0.444 62.759 62.300 0.024 0.000 1.195 72 V CB 1.238 33.083 31.823 0.036 0.000 0.993 72 V HN 0.609 nan 8.190 nan 0.000 0.493 73 E N 3.216 123.435 120.200 0.032 0.000 2.389 73 E HA 0.198 4.548 4.350 0.000 0.000 0.199 73 E C 0.794 177.416 176.600 0.036 0.000 0.978 73 E CA -0.136 56.285 56.400 0.035 0.000 0.912 73 E CB 0.355 30.073 29.700 0.031 0.000 0.907 73 E HN 0.673 nan 8.360 nan 0.000 0.494 74 R N 0.333 120.851 120.500 0.029 0.000 2.626 74 R HA 0.419 4.759 4.340 0.000 0.000 0.274 74 R C -1.811 174.492 176.300 0.005 0.000 1.031 74 R CA -0.522 55.593 56.100 0.024 0.000 0.898 74 R CB 1.155 31.467 30.300 0.019 0.000 1.222 74 R HN -0.036 nan 8.270 nan 0.000 0.455 75 I N 4.810 125.381 120.570 0.001 0.000 2.476 75 I HA 0.342 4.512 4.170 0.000 0.000 0.281 75 I C -2.134 173.954 176.117 -0.048 0.000 1.040 75 I CA -2.307 58.971 61.300 -0.037 0.000 1.094 75 I CB 2.536 40.516 38.000 -0.033 0.000 1.219 75 I HN 0.480 nan 8.210 nan 0.000 0.450 76 P HA 0.189 nan 4.420 nan 0.000 0.220 76 P C 0.370 177.611 177.300 -0.100 0.000 1.778 76 P CA 0.064 63.117 63.100 -0.079 0.000 0.912 76 P CB -0.124 31.526 31.700 -0.084 0.000 1.861 77 L N 0.855 122.017 121.223 -0.102 0.000 2.930 77 L HA 0.019 4.359 4.340 0.000 0.000 0.250 77 L C 1.684 178.470 176.870 -0.139 0.000 1.320 77 L CA 0.160 54.929 54.840 -0.118 0.000 1.163 77 L CB -0.714 41.277 42.059 -0.114 0.000 1.542 77 L HN 0.264 nan 8.230 nan 0.000 0.428 78 E N -0.891 119.235 120.200 -0.123 0.000 2.072 78 E HA -0.190 4.160 4.350 0.000 0.000 0.191 78 E C 0.939 177.452 176.600 -0.145 0.000 0.985 78 E CA 0.950 57.263 56.400 -0.144 0.000 0.801 78 E CB -0.093 29.549 29.700 -0.097 0.000 0.750 78 E HN 0.441 nan 8.360 nan 0.000 0.452 79 N N 0.718 119.356 118.700 -0.103 0.000 2.461 79 N HA 0.037 4.777 4.740 0.000 0.000 0.188 79 N C -0.052 175.407 175.510 -0.085 0.000 1.134 79 N CA 0.035 53.035 53.050 -0.083 0.000 0.878 79 N CB -0.029 38.427 38.487 -0.052 0.000 0.972 79 N HN 0.119 nan 8.380 nan 0.000 0.456 80 L N 1.506 122.664 121.223 -0.108 0.000 2.562 80 L HA -0.018 4.322 4.340 0.000 0.000 0.271 80 L C 1.118 177.926 176.870 -0.104 0.000 1.167 80 L CA 0.637 55.420 54.840 -0.095 0.000 0.917 80 L CB 0.443 42.439 42.059 -0.105 0.000 1.187 80 L HN 0.104 nan 8.230 nan 0.000 0.482 81 Q N 4.580 124.342 119.800 -0.064 0.000 2.324 81 Q HA 0.341 4.681 4.340 0.000 0.000 0.207 81 Q C 0.029 176.013 176.000 -0.027 0.000 0.928 81 Q CA 0.556 56.327 55.803 -0.054 0.000 0.890 81 Q CB 0.822 29.540 28.738 -0.034 0.000 1.001 81 Q HN 0.718 nan 8.270 nan 0.000 0.517 82 I N -0.001 120.564 120.570 -0.008 0.000 2.752 82 I HA 0.366 4.537 4.170 0.000 0.000 0.295 82 I C -1.805 174.332 176.117 0.034 0.000 1.219 82 I CA -1.018 60.294 61.300 0.021 0.000 1.030 82 I CB 2.007 40.022 38.000 0.025 0.000 1.259 82 I HN -0.035 nan 8.210 nan 0.000 0.423 83 I N 7.459 128.066 120.570 0.063 0.000 2.382 83 I HA 0.413 4.584 4.170 0.000 0.000 0.285 83 I C 1.021 177.199 176.117 0.100 0.000 1.007 83 I CA -0.631 60.716 61.300 0.078 0.000 1.142 83 I CB 1.578 39.638 38.000 0.100 0.000 1.289 83 I HN 0.620 nan 8.210 nan 0.000 0.453 84 R N 3.971 124.528 120.500 0.096 0.000 2.115 84 R HA 0.038 4.378 4.340 0.000 0.000 0.226 84 R C 1.357 177.773 176.300 0.193 0.000 1.100 84 R CA 0.805 56.984 56.100 0.132 0.000 0.980 84 R CB -0.044 30.305 30.300 0.082 0.000 0.875 84 R HN 0.995 nan 8.270 nan 0.000 0.445 85 G N 1.843 110.744 108.800 0.169 0.000 2.221 85 G HA2 -0.267 3.693 3.960 0.000 0.000 0.265 85 G HA3 -0.267 3.693 3.960 0.000 0.000 0.265 85 G C 0.279 175.222 174.900 0.071 0.000 1.041 85 G CA 0.472 45.716 45.100 0.240 0.000 0.807 85 G HN 0.270 nan 8.290 nan 0.000 0.502 86 N N -0.545 118.153 118.700 -0.004 0.000 2.334 86 N HA -0.027 4.713 4.740 0.000 0.000 0.187 86 N C 1.280 176.674 175.510 -0.194 0.000 1.016 86 N CA 1.457 54.434 53.050 -0.123 0.000 0.879 86 N CB -0.070 38.369 38.487 -0.079 0.000 0.965 86 N HN 0.692 nan 8.380 nan 0.000 0.438 87 M N -1.562 117.986 119.600 -0.088 0.000 2.631 87 M HA 0.335 4.815 4.480 0.000 0.000 0.288 87 M C -1.159 175.203 176.300 0.103 0.000 1.260 87 M CA -0.637 54.613 55.300 -0.084 0.000 0.842 87 M CB 2.395 35.078 32.600 0.138 0.000 1.743 87 M HN -0.153 nan 8.290 nan 0.000 0.461 88 Y N -0.769 119.573 120.300 0.070 0.000 2.562 88 Y HA 0.446 4.996 4.550 0.000 0.000 0.343 88 Y C -1.145 174.507 175.900 -0.414 0.000 1.025 88 Y CA -1.127 56.910 58.100 -0.106 0.000 1.082 88 Y CB 1.972 40.355 38.460 -0.128 0.000 1.264 88 Y HN 0.519 nan 8.280 nan 0.000 0.478 89 Y N 2.575 122.570 120.300 -0.509 0.000 2.353 89 Y HA 0.228 4.778 4.550 0.000 0.000 0.340 89 Y C -0.019 175.759 175.900 -0.203 0.000 0.972 89 Y CA -0.840 56.905 58.100 -0.591 0.000 1.157 89 Y CB 0.450 38.522 38.460 -0.647 0.000 1.157 89 Y HN 0.717 nan 8.280 nan 0.000 0.495 90 E N 4.313 124.143 120.200 -0.616 0.000 2.694 90 E HA -0.318 4.032 4.350 0.000 0.000 0.272 90 E C -0.415 176.020 176.600 -0.274 0.000 1.040 90 E CA 1.009 57.145 56.400 -0.439 0.000 0.809 90 E CB -1.746 27.718 29.700 -0.394 0.000 1.389 90 E HN 0.962 nan 8.360 nan 0.000 0.413 91 N N -1.981 116.617 118.700 -0.169 0.000 2.754 91 N HA -0.218 4.522 4.740 0.000 0.000 0.248 91 N C 0.251 175.662 175.510 -0.165 0.000 1.093 91 N CA 1.442 54.456 53.050 -0.059 0.000 0.699 91 N CB -1.458 36.988 38.487 -0.068 0.000 1.016 91 N HN 0.413 nan 8.380 nan 0.000 0.552 92 S N -1.898 113.565 115.700 -0.395 0.000 4.696 92 S HA 0.115 4.585 4.470 0.000 0.000 0.185 92 S C -0.337 173.719 174.600 -0.907 0.000 1.139 92 S CA -0.325 57.418 58.200 -0.762 0.000 1.227 92 S CB 0.362 62.853 63.200 -1.182 0.000 1.682 92 S HN 0.286 nan 8.310 nan 0.000 0.551 93 Y N 1.694 121.820 120.300 -0.291 0.000 2.308 93 Y HA 0.696 5.246 4.550 0.000 0.000 0.329 93 Y C 1.204 176.996 175.900 -0.180 0.000 1.111 93 Y CA -0.319 57.627 58.100 -0.257 0.000 1.179 93 Y CB 0.780 39.155 38.460 -0.141 0.000 1.201 93 Y HN 0.347 nan 8.280 nan 0.000 0.483 94 A N 2.712 125.520 122.820 -0.020 0.000 2.021 94 A HA 0.128 4.448 4.320 0.000 0.000 0.216 94 A C 0.049 177.727 177.584 0.158 0.000 1.163 94 A CA 0.631 52.752 52.037 0.139 0.000 0.676 94 A CB 0.132 19.184 19.000 0.087 0.000 0.818 94 A HN 0.567 nan 8.150 nan 0.000 0.453 95 L N -0.831 120.427 121.223 0.060 0.000 2.406 95 L HA 0.743 5.083 4.340 0.000 0.000 0.272 95 L C -0.731 176.006 176.870 -0.222 0.000 0.980 95 L CA -0.565 54.254 54.840 -0.035 0.000 0.831 95 L CB 1.589 43.643 42.059 -0.008 0.000 1.253 95 L HN 0.130 nan 8.230 nan 0.000 0.406 96 A N 5.269 127.908 122.820 -0.302 0.000 2.410 96 A HA 0.712 5.032 4.320 0.000 0.000 0.289 96 A C -1.375 175.877 177.584 -0.553 0.000 1.200 96 A CA -0.476 51.265 52.037 -0.492 0.000 0.751 96 A CB 1.099 19.835 19.000 -0.441 0.000 1.161 96 A HN 0.457 nan 8.150 nan 0.000 0.459 97 V N 4.516 123.989 119.914 -0.735 0.000 2.318 97 V HA 0.452 4.572 4.120 0.000 0.000 0.271 97 V C -0.289 175.546 176.094 -0.432 0.000 1.030 97 V CA -0.040 61.907 62.300 -0.589 0.000 0.844 97 V CB 0.393 31.767 31.823 -0.748 0.000 1.015 97 V HN 0.729 nan 8.190 nan 0.000 0.460 98 L N 2.766 123.795 121.223 -0.323 0.000 2.381 98 L HA 0.535 4.875 4.340 0.000 0.000 0.268 98 L C 0.661 177.382 176.870 -0.248 0.000 0.997 98 L CA -0.904 53.782 54.840 -0.257 0.000 0.818 98 L CB 2.017 43.936 42.059 -0.234 0.000 1.310 98 L HN 0.561 nan 8.230 nan 0.000 0.416 99 S N 1.943 117.498 115.700 -0.242 0.000 3.280 99 S HA -0.178 4.292 4.470 0.000 0.000 0.349 99 S C 0.275 174.538 174.600 -0.561 0.000 0.936 99 S CA 0.369 58.295 58.200 -0.457 0.000 1.301 99 S CB -1.217 61.709 63.200 -0.458 0.000 0.907 99 S HN 0.664 nan 8.310 nan 0.000 0.516 100 N N 1.930 120.428 118.700 -0.338 0.000 3.131 100 N HA 0.294 5.034 4.740 0.000 0.000 0.312 100 N C -0.544 174.907 175.510 -0.098 0.000 1.433 100 N CA -0.081 52.838 53.050 -0.218 0.000 1.141 100 N CB 0.231 38.662 38.487 -0.094 0.000 1.431 100 N HN 0.684 nan 8.380 nan 0.000 0.523 101 Y N -2.056 118.242 120.300 -0.003 0.000 2.524 101 Y HA 0.622 5.172 4.550 0.000 0.000 0.344 101 Y C 0.102 176.006 175.900 0.008 0.000 1.012 101 Y CA -1.856 56.249 58.100 0.009 0.000 1.068 101 Y CB 0.555 39.023 38.460 0.014 0.000 1.249 101 Y HN -0.159 nan 8.280 nan 0.000 0.468 102 D N 0.704 121.266 120.400 0.269 0.000 2.398 102 D HA 0.381 5.021 4.640 0.000 0.000 0.247 102 D C 1.124 177.541 176.300 0.195 0.000 1.227 102 D CA 0.344 54.450 54.000 0.177 0.000 0.980 102 D CB 1.676 42.535 40.800 0.100 0.000 1.106 102 D HN 0.805 nan 8.370 nan 0.000 0.493 103 A N 1.164 124.061 122.820 0.128 0.000 2.070 103 A HA -0.147 4.173 4.320 0.000 0.000 0.220 103 A C 1.362 178.964 177.584 0.030 0.000 1.159 103 A CA 1.040 53.128 52.037 0.085 0.000 0.656 103 A CB -0.339 18.706 19.000 0.076 0.000 0.800 103 A HN 0.544 nan 8.150 nan 0.000 0.453 104 N N 0.154 118.876 118.700 0.036 0.000 2.313 104 N HA 0.039 4.779 4.740 0.000 0.000 0.207 104 N C -0.461 175.050 175.510 0.002 0.000 1.141 104 N CA 0.157 53.215 53.050 0.014 0.000 0.830 104 N CB 0.363 38.864 38.487 0.024 0.000 1.008 104 N HN 0.230 nan 8.380 nan 0.000 0.481 105 K N -0.013 120.377 120.400 -0.017 0.000 3.129 105 K HA -0.122 4.198 4.320 0.000 0.000 0.273 105 K C -0.407 176.222 176.600 0.048 0.000 1.123 105 K CA 0.755 57.017 56.287 -0.042 0.000 0.800 105 K CB -2.753 29.694 32.500 -0.088 0.000 1.238 105 K HN 0.496 nan 8.250 nan 0.000 0.492 106 T N -3.214 111.391 114.554 0.085 0.000 3.176 106 T HA 0.628 4.979 4.350 0.000 0.000 0.337 106 T C 0.595 175.350 174.700 0.092 0.000 0.957 106 T CA -0.107 62.043 62.100 0.083 0.000 1.092 106 T CB 1.877 70.778 68.868 0.055 0.000 1.018 106 T HN 0.214 nan 8.240 nan 0.000 0.473 107 G N 2.368 111.232 108.800 0.106 0.000 3.054 107 G HA2 0.534 4.494 3.960 0.000 0.000 0.201 107 G HA3 0.534 4.494 3.960 0.000 0.000 0.201 107 G C -0.379 174.559 174.900 0.063 0.000 1.694 107 G CA -0.749 44.397 45.100 0.077 0.000 0.742 107 G HN 0.779 nan 8.290 nan 0.000 0.790 108 L N 1.602 122.858 121.223 0.055 0.000 2.615 108 L HA 0.337 4.677 4.340 0.000 0.000 0.271 108 L C 1.388 178.309 176.870 0.085 0.000 1.183 108 L CA 0.726 55.603 54.840 0.061 0.000 0.933 108 L CB 0.662 42.754 42.059 0.055 0.000 1.199 108 L HN 0.615 nan 8.230 nan 0.000 0.487 109 K N 3.258 123.703 120.400 0.076 0.000 2.344 109 K HA 0.196 4.516 4.320 0.000 0.000 0.200 109 K C 0.032 176.682 176.600 0.082 0.000 1.132 109 K CA 0.025 56.357 56.287 0.076 0.000 0.935 109 K CB 0.322 32.855 32.500 0.056 0.000 1.089 109 K HN 0.727 nan 8.250 nan 0.000 0.496 110 E N 0.991 121.239 120.200 0.080 0.000 2.224 110 E HA 0.237 4.587 4.350 0.000 0.000 0.265 110 E C -1.851 174.817 176.600 0.113 0.000 0.878 110 E CA -0.614 55.840 56.400 0.089 0.000 0.759 110 E CB 1.522 31.260 29.700 0.063 0.000 1.164 110 E HN 0.080 nan 8.360 nan 0.000 0.414 111 L N 7.429 128.757 121.223 0.174 0.000 2.502 111 L HA 0.390 4.730 4.340 0.000 0.000 0.247 111 L C -2.283 174.738 176.870 0.252 0.000 1.180 111 L CA -2.019 52.951 54.840 0.216 0.000 0.956 111 L CB 1.416 43.677 42.059 0.336 0.000 1.282 111 L HN 0.428 nan 8.230 nan 0.000 0.470 112 P HA 0.010 nan 4.420 nan 0.000 0.249 112 P C 0.018 177.252 177.300 -0.111 0.000 1.686 112 P CA 0.132 63.278 63.100 0.077 0.000 0.873 112 P CB -0.342 31.372 31.700 0.024 0.000 1.828 113 M N 1.006 120.438 119.600 -0.280 0.000 3.442 113 M HA 0.099 4.579 4.480 0.000 0.000 0.232 113 M C 1.538 177.002 176.300 -1.393 0.000 1.508 113 M CA 0.186 55.034 55.300 -0.752 0.000 1.647 113 M CB -0.244 31.863 32.600 -0.821 0.000 1.126 113 M HN 0.073 nan 8.290 nan 0.000 0.557 114 R N -1.065 118.995 120.500 -0.734 0.000 2.310 114 R HA 0.096 4.436 4.340 0.000 0.000 0.202 114 R C 0.516 176.587 176.300 -0.382 0.000 0.933 114 R CA 0.406 56.167 56.100 -0.564 0.000 1.054 114 R CB -0.030 30.174 30.300 -0.159 0.000 0.985 114 R HN 0.379 nan 8.270 nan 0.000 0.489 115 N N 0.510 118.981 118.700 -0.381 0.000 2.171 115 N HA 0.045 4.785 4.740 0.000 0.000 0.212 115 N C -0.523 174.855 175.510 -0.220 0.000 1.184 115 N CA -0.213 52.702 53.050 -0.225 0.000 0.888 115 N CB 0.610 39.006 38.487 -0.152 0.000 1.038 115 N HN 0.107 nan 8.380 nan 0.000 0.517 116 L N 2.462 123.473 121.223 -0.354 0.000 2.536 116 L HA 0.068 4.408 4.340 0.000 0.000 0.282 116 L C 0.857 177.658 176.870 -0.115 0.000 1.147 116 L CA 0.806 55.504 54.840 -0.238 0.000 0.936 116 L CB -0.050 41.809 42.059 -0.334 0.000 1.279 116 L HN 0.073 nan 8.230 nan 0.000 0.461 117 Q N 2.099 121.873 119.800 -0.043 0.000 2.245 117 Q HA 0.228 4.568 4.340 0.000 0.000 0.236 117 Q C -0.201 175.825 176.000 0.045 0.000 0.842 117 Q CA -0.027 55.779 55.803 0.005 0.000 0.945 117 Q CB 1.221 29.956 28.738 -0.005 0.000 1.122 117 Q HN 0.602 nan 8.270 nan 0.000 0.506 118 E N 0.905 121.136 120.200 0.052 0.000 2.292 118 E HA 0.432 4.782 4.350 0.000 0.000 0.272 118 E C -1.573 175.084 176.600 0.095 0.000 0.881 118 E CA -0.414 56.029 56.400 0.071 0.000 0.754 118 E CB 1.459 31.189 29.700 0.049 0.000 1.201 118 E HN 0.080 nan 8.360 nan 0.000 0.425 119 I N 6.904 127.539 120.570 0.110 0.000 2.641 119 I HA 0.137 4.307 4.170 0.000 0.000 0.275 119 I C 0.913 177.065 176.117 0.059 0.000 1.129 119 I CA -0.324 61.041 61.300 0.108 0.000 1.094 119 I CB 0.809 38.901 38.000 0.152 0.000 1.232 119 I HN 0.590 nan 8.210 nan 0.000 0.503 120 L N 3.246 124.500 121.223 0.051 0.000 2.051 120 L HA -0.189 4.151 4.340 0.000 0.000 0.214 120 L C 0.309 176.999 176.870 -0.300 0.000 1.076 120 L CA 1.790 56.599 54.840 -0.052 0.000 0.758 120 L CB -0.562 41.560 42.059 0.106 0.000 0.890 120 L HN 0.626 nan 8.230 nan 0.000 0.433 121 H N -2.548 116.541 119.070 0.031 0.000 2.980 121 H HA 0.620 5.176 4.556 0.000 0.000 0.367 121 H C 0.104 175.103 175.328 -0.549 0.000 1.206 121 H CA -0.191 55.760 56.048 -0.162 0.000 1.126 121 H CB 1.632 31.468 29.762 0.124 0.000 1.838 121 H HN 0.135 nan 8.280 nan 0.000 0.552 122 G N -0.434 107.371 108.800 -1.658 0.000 2.746 122 G HA2 0.329 4.290 3.960 0.000 0.000 0.685 122 G HA3 0.329 4.290 3.960 0.000 0.000 0.685 122 G C -0.528 173.843 174.900 -0.881 0.000 1.350 122 G CA -0.314 43.882 45.100 -1.506 0.000 0.837 122 G HN 0.861 nan 8.290 nan 0.000 0.564 123 A N -1.018 121.515 122.820 -0.478 0.000 2.580 123 A HA 0.994 5.314 4.320 0.000 0.000 0.275 123 A C 0.101 177.702 177.584 0.028 0.000 1.321 123 A CA 0.122 52.117 52.037 -0.071 0.000 0.924 123 A CB 1.297 20.331 19.000 0.058 0.000 1.512 123 A HN 2.062 nan 8.150 nan 0.000 0.492 124 V N -0.349 119.593 119.914 0.047 0.000 2.789 124 V HA 0.698 4.818 4.120 0.000 0.000 0.311 124 V C -0.609 175.287 176.094 -0.330 0.000 1.073 124 V CA -0.612 61.589 62.300 -0.166 0.000 0.921 124 V CB 1.732 33.313 31.823 -0.404 0.000 1.009 124 V HN 0.928 nan 8.190 nan 0.000 0.426 125 R N 2.898 123.016 120.500 -0.636 0.000 2.483 125 R HA 0.648 4.988 4.340 0.000 0.000 0.303 125 R C -2.115 173.745 176.300 -0.733 0.000 0.987 125 R CA -0.242 55.351 56.100 -0.845 0.000 0.881 125 R CB 0.975 30.314 30.300 -1.602 0.000 1.177 125 R HN 0.504 nan 8.270 nan 0.000 0.451 126 F N 2.256 121.891 119.950 -0.525 0.000 2.482 126 F HA 0.670 5.197 4.527 0.000 0.000 0.331 126 F C -0.051 175.470 175.800 -0.466 0.000 1.115 126 F CA -0.306 57.382 58.000 -0.519 0.000 0.955 126 F CB 2.576 41.099 39.000 -0.795 0.000 1.136 126 F HN 0.510 nan 8.300 nan 0.000 0.452 127 S N 3.408 118.993 115.700 -0.190 0.000 2.563 127 S HA 0.361 4.831 4.470 0.000 0.000 0.279 127 S C -1.320 173.238 174.600 -0.069 0.000 1.155 127 S CA -0.808 57.306 58.200 -0.142 0.000 0.928 127 S CB 0.444 63.558 63.200 -0.145 0.000 1.107 127 S HN 0.697 nan 8.310 nan 0.000 0.462 128 N N 2.961 121.660 118.700 -0.002 0.000 2.708 128 N HA -0.121 4.619 4.740 0.000 0.000 0.255 128 N C -1.378 174.213 175.510 0.135 0.000 1.046 128 N CA 0.704 53.821 53.050 0.112 0.000 0.715 128 N CB -1.353 37.237 38.487 0.172 0.000 0.895 128 N HN 0.653 nan 8.380 nan 0.000 0.545 129 N N 0.121 118.895 118.700 0.123 0.000 2.918 129 N HA 0.207 4.947 4.740 0.000 0.000 0.270 129 N C -1.788 173.827 175.510 0.174 0.000 1.536 129 N CA -0.961 52.179 53.050 0.151 0.000 0.877 129 N CB 1.347 39.935 38.487 0.168 0.000 1.190 129 N HN 0.100 nan 8.380 nan 0.000 0.492 130 P HA -0.110 nan 4.420 nan 0.000 0.217 130 P C 0.992 178.369 177.300 0.128 0.000 1.148 130 P CA 1.118 64.306 63.100 0.146 0.000 0.828 130 P CB 0.498 32.273 31.700 0.125 0.000 0.783 131 A N -1.788 121.110 122.820 0.130 0.000 2.267 131 A HA 0.124 4.444 4.320 0.000 0.000 0.213 131 A C 0.791 178.437 177.584 0.105 0.000 1.192 131 A CA -0.206 51.893 52.037 0.103 0.000 0.851 131 A CB -0.831 18.224 19.000 0.092 0.000 0.881 131 A HN 0.120 nan 8.150 nan 0.000 0.494 132 L N 1.217 122.524 121.223 0.140 0.000 2.559 132 L HA 0.175 4.515 4.340 0.000 0.000 0.274 132 L C -0.327 176.605 176.870 0.103 0.000 1.205 132 L CA 0.063 54.998 54.840 0.158 0.000 0.907 132 L CB -0.329 41.885 42.059 0.259 0.000 1.153 132 L HN 0.372 nan 8.230 nan 0.000 0.490 133 c N 4.839 123.474 118.600 0.057 0.000 2.493 133 c HA 0.502 5.072 4.570 0.000 0.000 0.326 133 c C 1.279 175.327 174.090 -0.071 0.000 1.200 133 c CA -0.241 56.083 56.329 -0.008 0.000 1.739 133 c CB 0.961 43.473 42.510 0.003 0.000 2.300 133 c HN 1.083 nan 8.230 nan 0.000 0.500 134 N N -0.294 118.318 118.700 -0.147 0.000 1.904 134 N HA -0.252 4.489 4.740 0.000 0.000 0.217 134 N C 0.851 176.121 175.510 -0.399 0.000 1.020 134 N CA 1.484 54.403 53.050 -0.218 0.000 3.606 134 N CB -1.192 37.219 38.487 -0.128 0.000 0.733 134 N HN 0.523 nan 8.380 nan 0.000 0.351 135 V N 2.308 121.983 119.914 -0.399 0.000 2.527 135 V HA -0.279 3.841 4.120 0.000 0.000 0.255 135 V C 2.186 177.683 176.094 -0.996 0.000 1.081 135 V CA 2.484 64.405 62.300 -0.632 0.000 1.092 135 V CB -0.799 30.850 31.823 -0.290 0.000 0.673 135 V HN 0.542 nan 8.190 nan 0.000 0.470 136 E N 1.201 120.674 120.200 -1.211 0.000 2.510 136 E HA -0.152 4.198 4.350 0.000 0.000 0.202 136 E C 1.697 177.855 176.600 -0.738 0.000 1.072 136 E CA 1.163 56.638 56.400 -1.541 0.000 0.883 136 E CB -0.289 28.797 29.700 -1.023 0.000 0.818 136 E HN 0.728 nan 8.360 nan 0.000 0.548 137 S N -0.183 115.160 115.700 -0.595 0.000 2.578 137 S HA 0.203 4.673 4.470 0.000 0.000 0.231 137 S C 0.350 174.689 174.600 -0.435 0.000 0.994 137 S CA -0.648 57.307 58.200 -0.408 0.000 0.956 137 S CB -0.064 62.940 63.200 -0.327 0.000 0.870 137 S HN 0.014 nan 8.310 nan 0.000 0.494 138 I N 3.024 123.231 120.570 -0.604 0.000 2.441 138 I HA 0.203 4.373 4.170 0.000 0.000 0.287 138 I C 0.353 176.174 176.117 -0.493 0.000 1.049 138 I CA -0.083 60.766 61.300 -0.752 0.000 1.381 138 I CB 1.064 38.209 38.000 -1.425 0.000 1.409 138 I HN 0.280 nan 8.210 nan 0.000 0.523 139 Q N 5.791 125.382 119.800 -0.348 0.000 2.402 139 Q HA 0.024 4.364 4.340 0.000 0.000 0.238 139 Q C -0.142 175.790 176.000 -0.113 0.000 1.126 139 Q CA 0.074 55.793 55.803 -0.140 0.000 0.904 139 Q CB 0.178 28.865 28.738 -0.085 0.000 1.357 139 Q HN 0.658 nan 8.270 nan 0.000 0.491 140 W N 1.240 122.549 121.300 0.015 0.000 2.825 140 W HA -0.006 4.654 4.660 0.000 0.000 0.243 140 W C 2.054 178.623 176.519 0.083 0.000 1.293 140 W CA -0.031 57.361 57.345 0.078 0.000 1.403 140 W CB 0.124 29.648 29.460 0.106 0.000 1.134 140 W HN 0.553 nan 8.180 nan 0.000 0.666 141 R N 0.825 121.462 120.500 0.227 0.000 2.241 141 R HA -0.173 4.167 4.340 0.000 0.000 0.224 141 R C 1.816 178.190 176.300 0.124 0.000 1.101 141 R CA 1.805 58.000 56.100 0.159 0.000 0.995 141 R CB -0.423 29.941 30.300 0.106 0.000 0.870 141 R HN 0.124 nan 8.270 nan 0.000 0.463 142 D N -0.052 120.407 120.400 0.099 0.000 2.262 142 D HA -0.037 4.603 4.640 0.000 0.000 0.212 142 D C 1.802 178.160 176.300 0.097 0.000 0.964 142 D CA 0.738 54.781 54.000 0.071 0.000 0.875 142 D CB 0.217 41.034 40.800 0.028 0.000 0.996 142 D HN 0.311 nan 8.370 nan 0.000 0.497 143 I N 0.740 121.390 120.570 0.134 0.000 2.333 143 I HA -0.066 4.104 4.170 0.000 0.000 0.246 143 I C 0.948 177.207 176.117 0.236 0.000 1.106 143 I CA 0.279 61.687 61.300 0.181 0.000 1.411 143 I CB 0.182 38.315 38.000 0.221 0.000 1.082 143 I HN -0.202 nan 8.210 nan 0.000 0.420 144 V N 0.243 120.331 119.914 0.291 0.000 2.863 144 V HA 0.193 4.313 4.120 0.000 0.000 0.307 144 V C 0.328 176.543 176.094 0.201 0.000 1.061 144 V CA -0.627 61.827 62.300 0.257 0.000 1.024 144 V CB 1.659 33.658 31.823 0.293 0.000 1.049 144 V HN 0.189 nan 8.190 nan 0.000 0.471 145 S N 1.006 116.834 115.700 0.213 0.000 2.562 145 S HA 0.170 4.640 4.470 0.000 0.000 0.275 145 S C 1.493 176.200 174.600 0.179 0.000 1.281 145 S CA -0.001 58.311 58.200 0.187 0.000 1.045 145 S CB 1.180 64.500 63.200 0.201 0.000 0.962 145 S HN 1.081 nan 8.310 nan 0.000 0.503 146 S N 3.296 119.055 115.700 0.098 0.000 2.402 146 S HA -0.176 4.294 4.470 0.000 0.000 0.233 146 S C 1.042 175.647 174.600 0.008 0.000 1.030 146 S CA 1.646 59.882 58.200 0.059 0.000 1.003 146 S CB -0.630 62.589 63.200 0.031 0.000 0.813 146 S HN 0.804 nan 8.310 nan 0.000 0.477 147 D N 0.746 121.107 120.400 -0.066 0.000 2.218 147 D HA 0.030 4.670 4.640 0.000 0.000 0.204 147 D C 1.075 177.132 176.300 -0.405 0.000 0.976 147 D CA 0.938 54.766 54.000 -0.287 0.000 0.853 147 D CB -0.313 40.201 40.800 -0.477 0.000 0.939 147 D HN 0.614 nan 8.370 nan 0.000 0.481 148 F N -0.329 119.630 119.950 0.016 0.000 2.717 148 F HA 0.112 4.640 4.527 0.000 0.000 0.297 148 F C 1.663 177.466 175.800 0.006 0.000 1.113 148 F CA -0.335 57.662 58.000 -0.004 0.000 1.319 148 F CB -0.082 38.906 39.000 -0.019 0.000 1.097 148 F HN -0.124 nan 8.300 nan 0.000 0.595 149 L N -0.581 120.747 121.223 0.175 0.000 2.549 149 L HA -0.047 4.294 4.340 0.000 0.000 0.230 149 L C 1.959 178.882 176.870 0.087 0.000 1.162 149 L CA 1.422 56.341 54.840 0.132 0.000 0.834 149 L CB -2.098 40.035 42.059 0.124 0.000 0.947 149 L HN 0.096 nan 8.230 nan 0.000 0.452 150 S N -1.021 114.716 115.700 0.062 0.000 2.436 150 S HA -0.011 4.459 4.470 0.000 0.000 0.228 150 S C 1.653 176.279 174.600 0.044 0.000 1.014 150 S CA 0.683 58.905 58.200 0.036 0.000 0.950 150 S CB -0.550 62.653 63.200 0.005 0.000 0.784 150 S HN 0.502 nan 8.310 nan 0.000 0.504 151 N N 0.780 119.518 118.700 0.064 0.000 2.353 151 N HA 0.296 5.036 4.740 0.000 0.000 0.185 151 N C -0.103 175.475 175.510 0.113 0.000 1.098 151 N CA 0.155 53.239 53.050 0.056 0.000 0.872 151 N CB -0.260 38.236 38.487 0.016 0.000 0.970 151 N HN 0.480 nan 8.380 nan 0.000 0.467 152 M N 1.243 120.909 119.600 0.111 0.000 2.307 152 M HA 0.029 4.509 4.480 0.000 0.000 0.346 152 M C -0.096 176.244 176.300 0.066 0.000 1.552 152 M CA 0.348 55.707 55.300 0.098 0.000 1.116 152 M CB 0.078 32.709 32.600 0.053 0.000 1.889 152 M HN -0.003 nan 8.290 nan 0.000 0.460 153 S N 6.440 122.176 115.700 0.060 0.000 2.640 153 S HA 0.815 5.285 4.470 0.000 0.000 0.320 153 S C -0.590 173.935 174.600 -0.124 0.000 1.097 153 S CA -0.993 57.202 58.200 -0.009 0.000 1.092 153 S CB 0.874 64.096 63.200 0.037 0.000 0.988 153 S HN 0.782 nan 8.310 nan 0.000 0.470 154 M N 1.239 120.772 119.600 -0.111 0.000 2.265 154 M HA 0.528 5.008 4.480 0.000 0.000 0.262 154 M C -2.420 173.774 176.300 -0.176 0.000 1.026 154 M CA -0.668 54.519 55.300 -0.188 0.000 0.987 154 M CB 2.001 34.492 32.600 -0.181 0.000 1.937 154 M HN 0.510 nan 8.290 nan 0.000 0.481 155 D N 2.884 123.134 120.400 -0.251 0.000 2.646 155 D HA 0.642 5.282 4.640 0.000 0.000 0.245 155 D C -1.605 174.533 176.300 -0.269 0.000 1.099 155 D CA -0.247 53.675 54.000 -0.130 0.000 0.849 155 D CB 1.411 42.192 40.800 -0.032 0.000 1.448 155 D HN 0.473 nan 8.370 nan 0.000 0.489 156 F N 0.164 120.103 119.950 -0.019 0.000 2.436 156 F HA 0.367 4.894 4.527 0.000 0.000 0.340 156 F C 0.722 176.527 175.800 0.008 0.000 1.113 156 F CA -0.827 57.164 58.000 -0.015 0.000 1.022 156 F CB 1.980 40.940 39.000 -0.067 0.000 1.128 156 F HN 0.266 nan 8.300 nan 0.000 0.466 157 Q N 2.691 122.593 119.800 0.170 0.000 2.394 157 Q HA 0.288 4.628 4.340 0.000 0.000 0.259 157 Q C -0.946 175.139 176.000 0.143 0.000 1.021 157 Q CA -0.543 55.340 55.803 0.134 0.000 0.805 157 Q CB 0.725 29.519 28.738 0.093 0.000 1.226 157 Q HN 0.563 nan 8.270 nan 0.000 0.476 158 N N 2.184 120.958 118.700 0.124 0.000 3.234 158 N HA 0.032 4.772 4.740 0.000 0.000 0.272 158 N C -0.632 174.930 175.510 0.086 0.000 1.254 158 N CA -0.014 53.092 53.050 0.093 0.000 1.087 158 N CB 0.225 38.741 38.487 0.047 0.000 1.356 158 N HN 0.633 nan 8.380 nan 0.000 0.511 159 H N 2.149 121.234 119.070 0.025 0.000 2.538 159 H HA 0.196 4.752 4.556 0.000 0.000 0.286 159 H C 0.568 175.901 175.328 0.008 0.000 1.035 159 H CA 0.290 56.345 56.048 0.012 0.000 1.169 159 H CB 0.601 30.366 29.762 0.006 0.000 1.417 159 H HN 0.454 nan 8.280 nan 0.000 0.567 160 L N -2.140 119.109 121.223 0.044 0.000 3.260 160 L HA 0.319 4.659 4.340 0.000 0.000 0.171 160 L C 1.562 178.422 176.870 -0.016 0.000 1.315 160 L CA 0.731 55.584 54.840 0.021 0.000 0.886 160 L CB 0.160 42.247 42.059 0.047 0.000 1.431 160 L HN 0.297 nan 8.230 nan 0.000 0.583 161 G N -0.131 108.667 108.800 -0.004 0.000 2.198 161 G HA2 -0.214 3.746 3.960 0.000 0.000 0.156 161 G HA3 -0.214 3.746 3.960 0.000 0.000 0.156 161 G C 0.718 175.612 174.900 -0.010 0.000 1.012 161 G CA 0.288 45.378 45.100 -0.017 0.000 0.692 161 G HN 0.329 nan 8.290 nan 0.000 0.492 162 S N -0.748 114.953 115.700 0.002 0.000 2.727 162 S HA 0.307 4.778 4.470 0.000 0.000 0.226 162 S C 1.051 175.652 174.600 0.001 0.000 0.963 162 S CA 0.440 58.641 58.200 0.003 0.000 0.950 162 S CB -0.536 62.671 63.200 0.012 0.000 0.779 162 S HN 0.618 nan 8.310 nan 0.000 0.532 163 c N 2.139 120.736 118.600 -0.005 0.000 2.459 163 c HA 0.484 5.054 4.570 0.000 0.000 0.374 163 c C 1.056 175.135 174.090 -0.019 0.000 1.241 163 c CA -0.829 55.493 56.329 -0.011 0.000 2.352 163 c CB 0.811 43.308 42.510 -0.021 0.000 2.490 163 c HN 0.630 nan 8.230 nan 0.000 0.583 164 Q N 0.758 120.546 119.800 -0.021 0.000 2.386 164 Q HA 0.489 4.829 4.340 0.000 0.000 0.172 164 Q C -0.429 175.550 176.000 -0.036 0.000 1.009 164 Q CA -0.654 55.135 55.803 -0.024 0.000 1.039 164 Q CB 0.840 29.568 28.738 -0.017 0.000 1.544 164 Q HN 0.579 nan 8.270 nan 0.000 0.515 165 K N -0.364 120.015 120.400 -0.035 0.000 2.313 165 K HA 0.499 4.819 4.320 0.000 0.000 0.235 165 K C -1.101 175.472 176.600 -0.045 0.000 1.035 165 K CA -0.770 55.489 56.287 -0.046 0.000 0.868 165 K CB 1.677 34.153 32.500 -0.041 0.000 1.232 165 K HN 0.531 nan 8.250 nan 0.000 0.459 166 c N 1.215 119.782 118.600 -0.055 0.000 2.463 166 c HA 0.137 4.707 4.570 0.000 0.000 0.380 166 c C 0.392 174.460 174.090 -0.038 0.000 1.264 166 c CA -0.868 55.429 56.329 -0.052 0.000 2.161 166 c CB 0.098 42.565 42.510 -0.073 0.000 2.515 166 c HN 0.674 nan 8.230 nan 0.000 0.565 167 D N 2.774 123.157 120.400 -0.028 0.000 2.533 167 D HA -0.011 4.629 4.640 0.000 0.000 0.236 167 D C -1.371 174.914 176.300 -0.025 0.000 1.137 167 D CA -0.705 53.282 54.000 -0.022 0.000 0.867 167 D CB 0.903 41.694 40.800 -0.014 0.000 1.170 167 D HN 0.292 nan 8.370 nan 0.000 0.474 168 P HA -0.148 nan 4.420 nan 0.000 0.222 168 P C 1.205 178.492 177.300 -0.022 0.000 1.142 168 P CA 1.087 64.174 63.100 -0.023 0.000 0.788 168 P CB 0.105 31.794 31.700 -0.019 0.000 0.767 169 S N -2.520 113.169 115.700 -0.019 0.000 2.436 169 S HA -0.064 4.406 4.470 0.000 0.000 0.228 169 S C 0.968 175.556 174.600 -0.019 0.000 1.014 169 S CA 0.009 58.199 58.200 -0.016 0.000 0.950 169 S CB -1.429 61.764 63.200 -0.012 0.000 0.784 169 S HN 0.064 nan 8.310 nan 0.000 0.504 170 c N 4.554 123.140 118.600 -0.024 0.000 2.538 170 c HA 0.248 4.818 4.570 0.000 0.000 0.408 170 c C -2.186 171.882 174.090 -0.036 0.000 1.421 170 c CA -1.092 55.220 56.329 -0.030 0.000 1.642 170 c CB -0.635 41.850 42.510 -0.041 0.000 2.553 170 c HN 0.389 nan 8.230 nan 0.000 0.604 171 P HA 0.088 nan 4.420 nan 0.000 0.264 171 P C 0.147 177.417 177.300 -0.050 0.000 1.229 171 P CA 0.752 63.831 63.100 -0.036 0.000 0.780 171 P CB 0.076 31.758 31.700 -0.029 0.000 0.808 172 N N 3.283 121.955 118.700 -0.047 0.000 2.735 172 N HA -0.180 4.560 4.740 0.000 0.000 0.248 172 N C 0.855 176.320 175.510 -0.074 0.000 1.083 172 N CA 1.606 54.623 53.050 -0.054 0.000 0.703 172 N CB -1.774 36.681 38.487 -0.053 0.000 1.005 172 N HN 0.818 nan 8.380 nan 0.000 0.550 173 G N -1.139 107.618 108.800 -0.073 0.000 2.283 173 G HA2 -0.329 3.631 3.960 0.000 0.000 0.280 173 G HA3 -0.329 3.631 3.960 0.000 0.000 0.280 173 G C -0.069 174.753 174.900 -0.130 0.000 1.029 173 G CA 0.654 45.700 45.100 -0.089 0.000 0.840 173 G HN 0.516 nan 8.290 nan 0.000 0.505 174 S N -0.138 115.480 115.700 -0.137 0.000 2.422 174 S HA 0.628 5.098 4.470 0.000 0.000 0.298 174 S C 0.402 174.889 174.600 -0.190 0.000 1.118 174 S CA 0.079 58.155 58.200 -0.207 0.000 1.083 174 S CB 1.252 64.331 63.200 -0.202 0.000 0.971 174 S HN 1.480 nan 8.310 nan 0.000 0.478 175 c N 1.904 120.348 118.600 -0.261 0.000 2.985 175 c HA 0.643 5.213 4.570 0.000 0.000 0.332 175 c C -0.082 173.858 174.090 -0.249 0.000 1.164 175 c CA -1.152 55.082 56.329 -0.158 0.000 1.347 175 c CB -0.220 42.243 42.510 -0.078 0.000 1.764 175 c HN 0.946 nan 8.230 nan 0.000 0.489 176 W N 2.589 123.824 121.300 -0.109 0.000 3.290 176 W HA 0.511 5.171 4.660 0.000 0.000 0.287 176 W C 1.275 177.759 176.519 -0.059 0.000 1.288 176 W CA 1.146 58.437 57.345 -0.090 0.000 1.725 176 W CB 0.334 29.748 29.460 -0.076 0.000 1.103 176 W HN 1.333 nan 8.180 nan 0.000 0.670 177 G N -1.175 107.692 108.800 0.111 0.000 2.340 177 G HA2 0.465 4.425 3.960 0.000 0.000 0.299 177 G HA3 0.465 4.425 3.960 0.000 0.000 0.299 177 G C -1.188 173.728 174.900 0.028 0.000 1.291 177 G CA -0.545 44.592 45.100 0.062 0.000 0.841 177 G HN 0.091 nan 8.290 nan 0.000 0.500 178 A N -1.330 121.501 122.820 0.018 0.000 2.292 178 A HA 0.897 5.217 4.320 0.000 0.000 0.265 178 A C 1.321 178.911 177.584 0.010 0.000 1.133 178 A CA 1.370 53.410 52.037 0.006 0.000 0.807 178 A CB -0.227 18.775 19.000 0.003 0.000 1.102 178 A HN 2.872 nan 8.150 nan 0.000 0.502 179 G N -1.141 107.661 108.800 0.003 0.000 2.781 179 G HA2 -0.143 3.817 3.960 0.000 0.000 0.683 179 G HA3 -0.143 3.817 3.960 0.000 0.000 0.683 179 G C 0.261 175.163 174.900 0.003 0.000 1.390 179 G CA 0.415 45.517 45.100 0.003 0.000 0.850 179 G HN 1.118 nan 8.290 nan 0.000 0.557 180 E N -0.176 120.025 120.200 0.001 0.000 2.435 180 E HA 0.007 4.357 4.350 0.000 0.000 0.195 180 E C 2.226 178.829 176.600 0.005 0.000 1.029 180 E CA 1.177 57.577 56.400 0.000 0.000 0.865 180 E CB -0.046 29.652 29.700 -0.002 0.000 0.833 180 E HN 0.721 nan 8.360 nan 0.000 0.510 181 E N -0.361 119.843 120.200 0.007 0.000 2.299 181 E HA -0.071 4.279 4.350 0.000 0.000 0.193 181 E C 0.824 177.435 176.600 0.019 0.000 0.998 181 E CA 0.376 56.780 56.400 0.007 0.000 0.851 181 E CB -0.012 29.689 29.700 0.001 0.000 0.795 181 E HN 0.057 nan 8.360 nan 0.000 0.492 182 N N 0.698 119.420 118.700 0.036 0.000 2.322 182 N HA 0.097 4.837 4.740 0.000 0.000 0.216 182 N C -0.934 174.645 175.510 0.115 0.000 1.144 182 N CA -0.107 52.993 53.050 0.084 0.000 0.830 182 N CB 0.101 38.645 38.487 0.095 0.000 1.034 182 N HN 0.164 nan 8.380 nan 0.000 0.484 183 c N 1.420 120.059 118.600 0.064 0.000 2.482 183 c HA 0.164 4.734 4.570 0.000 0.000 0.378 183 c C 1.176 175.312 174.090 0.076 0.000 1.284 183 c CA -1.196 55.160 56.329 0.044 0.000 1.826 183 c CB -0.845 41.671 42.510 0.010 0.000 2.473 183 c HN 0.432 nan 8.230 nan 0.000 0.562 184 Q N 3.012 122.861 119.800 0.081 0.000 2.320 184 Q HA -0.049 4.291 4.340 0.000 0.000 0.311 184 Q C -0.167 175.861 176.000 0.048 0.000 1.083 184 Q CA 0.945 56.815 55.803 0.112 0.000 1.001 184 Q CB 0.372 29.108 28.738 -0.004 0.000 1.074 184 Q HN 0.643 nan 8.270 nan 0.000 0.379 185 K N 5.309 125.740 120.400 0.050 0.000 2.180 185 K HA 0.176 4.496 4.320 0.000 0.000 0.250 185 K C -0.888 175.719 176.600 0.013 0.000 1.135 185 K CA -0.392 55.906 56.287 0.018 0.000 1.037 185 K CB 0.128 32.632 32.500 0.006 0.000 1.624 185 K HN 0.442 nan 8.250 nan 0.000 0.382 186 L N 2.239 123.466 121.223 0.006 0.000 2.462 186 L HA 0.028 4.368 4.340 0.000 0.000 0.272 186 L C 1.225 178.099 176.870 0.008 0.000 1.166 186 L CA 0.725 55.567 54.840 0.004 0.000 0.880 186 L CB 0.400 42.456 42.059 -0.005 0.000 1.142 186 L HN 0.624 nan 8.230 nan 0.000 0.473 187 T N -2.132 112.430 114.554 0.013 0.000 3.475 187 T HA 0.257 4.608 4.350 0.000 0.000 0.310 187 T C 0.651 175.364 174.700 0.021 0.000 0.963 187 T CA -0.333 61.777 62.100 0.016 0.000 0.985 187 T CB 0.210 69.088 68.868 0.016 0.000 1.198 187 T HN 0.492 nan 8.240 nan 0.000 0.508 188 K N 2.206 122.620 120.400 0.023 0.000 2.509 188 K HA 0.446 4.766 4.320 0.000 0.000 0.205 188 K C 1.395 178.010 176.600 0.024 0.000 1.336 188 K CA 0.411 56.715 56.287 0.028 0.000 0.912 188 K CB -0.149 32.375 32.500 0.039 0.000 1.568 188 K HN 0.387 nan 8.250 nan 0.000 0.475 189 I N -0.315 120.268 120.570 0.022 0.000 3.855 189 I HA 0.366 4.536 4.170 0.000 0.000 0.327 189 I C 0.485 176.608 176.117 0.011 0.000 1.359 189 I CA 0.078 61.389 61.300 0.018 0.000 1.142 189 I CB 0.089 38.101 38.000 0.020 0.000 1.041 189 I HN 0.010 nan 8.210 nan 0.000 0.403 190 I N 0.435 121.011 120.570 0.010 0.000 4.082 190 I HA 0.176 4.346 4.170 0.000 0.000 0.337 190 I C 0.349 176.470 176.117 0.007 0.000 1.352 190 I CA -0.136 61.168 61.300 0.006 0.000 1.097 190 I CB 0.217 38.219 38.000 0.004 0.000 1.048 190 I HN 0.275 nan 8.210 nan 0.000 0.393 191 c N 2.676 121.282 118.600 0.010 0.000 2.527 191 c HA 0.615 5.186 4.570 0.000 0.000 0.396 191 c C 1.436 175.530 174.090 0.007 0.000 1.289 191 c CA -0.880 55.455 56.329 0.009 0.000 2.047 191 c CB 0.387 42.904 42.510 0.012 0.000 2.568 191 c HN 0.488 nan 8.230 nan 0.000 0.573 192 A N 2.058 124.881 122.820 0.005 0.000 2.387 192 A HA 0.151 4.471 4.320 0.000 0.000 0.251 192 A C 1.424 179.010 177.584 0.004 0.000 1.113 192 A CA 0.213 52.253 52.037 0.004 0.000 0.794 192 A CB 0.044 19.046 19.000 0.002 0.000 1.069 192 A HN 0.902 nan 8.150 nan 0.000 0.506 193 Q N -0.748 119.053 119.800 0.003 0.000 2.119 193 Q HA -0.174 4.166 4.340 0.000 0.000 0.201 193 Q C 1.805 177.806 176.000 0.000 0.000 0.972 193 Q CA 2.406 58.210 55.803 0.002 0.000 0.847 193 Q CB -0.360 28.379 28.738 0.002 0.000 0.903 193 Q HN 0.790 nan 8.270 nan 0.000 0.433 194 Q N -0.912 118.887 119.800 -0.001 0.000 2.364 194 Q HA 0.021 4.361 4.340 0.000 0.000 0.209 194 Q C 0.066 176.063 176.000 -0.006 0.000 0.977 194 Q CA 0.476 56.277 55.803 -0.004 0.000 0.885 194 Q CB -0.256 28.480 28.738 -0.004 0.000 0.941 194 Q HN 0.254 nan 8.270 nan 0.000 0.464 195 c N 0.997 119.595 118.600 -0.002 0.000 2.632 195 c HA 0.089 4.659 4.570 0.000 0.000 0.415 195 c C 1.951 176.039 174.090 -0.003 0.000 1.332 195 c CA 0.114 56.442 56.329 -0.002 0.000 1.874 195 c CB 0.178 42.691 42.510 0.004 0.000 2.596 195 c HN 0.619 nan 8.230 nan 0.000 0.590 196 S N 2.969 118.664 115.700 -0.008 0.000 2.387 196 S HA 0.145 4.615 4.470 0.000 0.000 0.221 196 S C 1.111 175.714 174.600 0.005 0.000 1.041 196 S CA 0.656 58.851 58.200 -0.007 0.000 0.959 196 S CB -0.111 63.074 63.200 -0.025 0.000 0.843 196 S HN 0.888 nan 8.310 nan 0.000 0.488 197 G N 1.991 110.797 108.800 0.010 0.000 3.267 197 G HA2 0.522 4.482 3.960 0.000 0.000 0.200 197 G HA3 0.522 4.482 3.960 0.000 0.000 0.200 197 G C -0.265 174.651 174.900 0.027 0.000 1.603 197 G CA -0.698 44.417 45.100 0.025 0.000 0.753 197 G HN 0.205 nan 8.290 nan 0.000 0.755 198 R N -0.798 119.722 120.500 0.034 0.000 2.527 198 R HA 0.637 4.977 4.340 0.000 0.000 0.243 198 R C -0.261 176.055 176.300 0.027 0.000 1.206 198 R CA -0.052 56.067 56.100 0.032 0.000 1.134 198 R CB 0.142 30.463 30.300 0.036 0.000 1.347 198 R HN 0.834 nan 8.270 nan 0.000 0.580 199 c N -2.753 115.862 118.600 0.024 0.000 3.312 199 c HA 0.518 5.088 4.570 0.000 0.000 0.332 199 c C 1.128 175.228 174.090 0.018 0.000 1.340 199 c CA -0.974 55.367 56.329 0.020 0.000 1.265 199 c CB 1.984 44.503 42.510 0.015 0.000 1.563 199 c HN 0.849 nan 8.230 nan 0.000 0.471 200 R N 0.906 121.416 120.500 0.016 0.000 2.075 200 R HA 0.415 4.755 4.340 0.000 0.000 0.220 200 R C 1.170 177.475 176.300 0.009 0.000 1.118 200 R CA 1.424 57.531 56.100 0.012 0.000 0.986 200 R CB -0.010 30.297 30.300 0.012 0.000 0.884 200 R HN 0.950 nan 8.270 nan 0.000 0.439 201 G N -0.666 108.139 108.800 0.008 0.000 3.183 201 G HA2 0.167 4.127 3.960 0.000 0.000 0.247 201 G HA3 0.167 4.127 3.960 0.000 0.000 0.247 201 G C -0.424 174.479 174.900 0.005 0.000 1.211 201 G CA -0.423 44.680 45.100 0.006 0.000 0.835 201 G HN -0.049 nan 8.290 nan 0.000 0.604 202 K N -0.403 119.999 120.400 0.004 0.000 2.308 202 K HA 0.160 4.480 4.320 0.000 0.000 0.197 202 K C 1.161 177.763 176.600 0.003 0.000 1.049 202 K CA 0.643 56.932 56.287 0.003 0.000 0.991 202 K CB -0.022 32.478 32.500 0.002 0.000 0.836 202 K HN 0.484 nan 8.250 nan 0.000 0.500 203 S N 1.471 117.173 115.700 0.003 0.000 2.549 203 S HA 0.125 4.595 4.470 0.000 0.000 0.283 203 S C -2.073 172.530 174.600 0.004 0.000 1.320 203 S CA -1.203 56.999 58.200 0.003 0.000 1.058 203 S CB 1.025 64.227 63.200 0.003 0.000 0.882 203 S HN 0.015 nan 8.310 nan 0.000 0.498 204 P HA -0.022 nan 4.420 nan 0.000 0.223 204 P C 0.813 178.115 177.300 0.004 0.000 1.144 204 P CA 0.850 63.952 63.100 0.003 0.000 0.783 204 P CB -0.106 31.595 31.700 0.001 0.000 0.771 205 S N -0.825 114.878 115.700 0.005 0.000 2.607 205 S HA -0.022 4.448 4.470 0.000 0.000 0.224 205 S C 0.761 175.367 174.600 0.009 0.000 0.969 205 S CA 0.758 58.962 58.200 0.006 0.000 0.927 205 S CB -0.422 62.782 63.200 0.006 0.000 0.772 205 S HN 0.226 nan 8.310 nan 0.000 0.533 206 D N 0.087 120.493 120.400 0.009 0.000 2.469 206 D HA 0.204 4.844 4.640 0.000 0.000 0.213 206 D C -0.061 176.248 176.300 0.015 0.000 1.135 206 D CA -0.270 53.737 54.000 0.012 0.000 0.834 206 D CB -0.114 40.692 40.800 0.010 0.000 1.009 206 D HN 0.212 nan 8.370 nan 0.000 0.507 207 c N 1.546 120.154 118.600 0.013 0.000 2.596 207 c HA 0.042 4.612 4.570 0.000 0.000 0.414 207 c C 1.200 175.304 174.090 0.024 0.000 1.396 207 c CA -0.442 55.895 56.329 0.013 0.000 1.698 207 c CB -0.745 41.767 42.510 0.003 0.000 2.572 207 c HN 0.377 nan 8.230 nan 0.000 0.604 208 c N 5.042 123.661 118.600 0.033 0.000 2.539 208 c HA 0.198 4.768 4.570 0.000 0.000 0.392 208 c C 0.893 175.029 174.090 0.077 0.000 1.269 208 c CA -0.397 55.968 56.329 0.060 0.000 2.250 208 c CB -0.216 42.329 42.510 0.058 0.000 2.584 208 c HN 0.869 nan 8.230 nan 0.000 0.589 209 H N 2.419 121.499 119.070 0.017 0.000 3.016 209 H HA -0.065 4.491 4.556 0.000 0.000 0.345 209 H C 1.201 176.543 175.328 0.023 0.000 1.066 209 H CA 1.098 57.157 56.048 0.020 0.000 1.390 209 H CB 0.495 30.269 29.762 0.021 0.000 1.344 209 H HN 0.812 nan 8.280 nan 0.000 0.605 210 N N 2.438 121.037 118.700 -0.170 0.000 2.184 210 N HA -0.190 4.550 4.740 0.000 0.000 0.190 210 N C 0.741 176.370 175.510 0.199 0.000 1.011 210 N CA 1.469 54.523 53.050 0.007 0.000 0.867 210 N CB 0.134 38.564 38.487 -0.094 0.000 0.993 210 N HN 0.560 nan 8.380 nan 0.000 0.433 211 Q N -0.284 119.799 119.800 0.471 0.000 2.242 211 Q HA 0.166 4.506 4.340 0.000 0.000 0.246 211 Q C -0.705 175.377 176.000 0.138 0.000 0.883 211 Q CA -0.114 55.836 55.803 0.245 0.000 0.984 211 Q CB -0.138 28.712 28.738 0.186 0.000 1.096 211 Q HN 0.349 nan 8.270 nan 0.000 0.452 212 c N -0.731 117.951 118.600 0.137 0.000 2.365 212 c HA 0.729 5.299 4.570 0.000 0.000 0.349 212 c C 1.499 175.627 174.090 0.063 0.000 1.191 212 c CA -0.360 56.017 56.329 0.081 0.000 2.114 212 c CB 1.421 43.981 42.510 0.082 0.000 2.367 212 c HN 0.591 nan 8.230 nan 0.000 0.530 213 A N 1.786 124.633 122.820 0.045 0.000 2.106 213 A HA 0.517 4.837 4.320 0.000 0.000 0.218 213 A C 1.759 179.364 177.584 0.035 0.000 1.718 213 A CA 0.880 52.941 52.037 0.040 0.000 0.768 213 A CB -1.087 17.933 19.000 0.034 0.000 1.321 213 A HN 0.987 nan 8.150 nan 0.000 0.567 214 A N -1.206 121.629 122.820 0.026 0.000 2.251 214 A HA 0.516 4.837 4.320 0.000 0.000 0.209 214 A C 1.150 178.744 177.584 0.017 0.000 1.187 214 A CA 1.300 53.348 52.037 0.018 0.000 0.823 214 A CB -0.780 18.223 19.000 0.005 0.000 0.846 214 A HN 2.089 nan 8.150 nan 0.000 0.486 215 G N -1.981 106.833 108.800 0.024 0.000 2.293 215 G HA2 0.323 4.283 3.960 0.000 0.000 0.282 215 G HA3 0.323 4.283 3.960 0.000 0.000 0.282 215 G C -0.449 174.466 174.900 0.026 0.000 1.299 215 G CA -0.084 45.030 45.100 0.024 0.000 1.018 215 G HN 1.861 nan 8.290 nan 0.000 0.478 216 c N -3.008 115.606 118.600 0.023 0.000 3.321 216 c HA 0.876 5.446 4.570 0.000 0.000 0.329 216 c C 1.068 175.169 174.090 0.018 0.000 1.394 216 c CA 0.585 56.929 56.329 0.024 0.000 1.291 216 c CB 1.146 43.679 42.510 0.039 0.000 1.606 216 c HN 2.144 nan 8.230 nan 0.000 0.463 217 T N -1.911 112.652 114.554 0.016 0.000 3.174 217 T HA 0.608 4.959 4.350 0.000 0.000 0.269 217 T C 0.474 175.183 174.700 0.016 0.000 1.017 217 T CA 0.562 62.669 62.100 0.012 0.000 0.899 217 T CB -0.369 68.503 68.868 0.008 0.000 1.077 217 T HN 2.459 nan 8.240 nan 0.000 0.552 218 G N 1.675 110.489 108.800 0.023 0.000 2.377 218 G HA2 0.442 4.402 3.960 0.000 0.000 0.297 218 G HA3 0.442 4.402 3.960 0.000 0.000 0.297 218 G C -2.707 172.219 174.900 0.043 0.000 1.547 218 G CA -0.767 44.350 45.100 0.028 0.000 0.833 218 G HN -0.216 nan 8.290 nan 0.000 0.583 219 P HA -0.096 nan 4.420 nan 0.000 0.217 219 P C 0.927 178.293 177.300 0.109 0.000 1.150 219 P CA 0.588 63.727 63.100 0.065 0.000 0.832 219 P CB 0.267 31.994 31.700 0.044 0.000 0.787 220 R N 0.322 120.873 120.500 0.086 0.000 2.905 220 R HA -0.010 4.330 4.340 0.000 0.000 0.273 220 R C 1.691 178.039 176.300 0.079 0.000 1.033 220 R CA 0.143 56.302 56.100 0.099 0.000 1.182 220 R CB -0.011 30.318 30.300 0.048 0.000 1.097 220 R HN 0.132 nan 8.270 nan 0.000 0.504 221 E N 0.271 120.467 120.200 -0.006 0.000 2.482 221 E HA -0.099 4.251 4.350 0.000 0.000 0.196 221 E C 0.749 177.228 176.600 -0.203 0.000 1.047 221 E CA 0.937 57.123 56.400 -0.357 0.000 0.869 221 E CB 0.285 29.756 29.700 -0.382 0.000 0.836 221 E HN 0.611 nan 8.360 nan 0.000 0.520 222 S N -0.758 114.894 115.700 -0.080 0.000 2.512 222 S HA 0.051 4.521 4.470 0.000 0.000 0.216 222 S C 0.691 175.276 174.600 -0.025 0.000 1.006 222 S CA -0.262 57.909 58.200 -0.048 0.000 0.915 222 S CB 0.310 63.495 63.200 -0.025 0.000 0.824 222 S HN 0.078 nan 8.310 nan 0.000 0.497 223 D N 1.599 121.992 120.400 -0.012 0.000 2.325 223 D HA 0.262 4.902 4.640 0.000 0.000 0.225 223 D C 0.090 176.394 176.300 0.007 0.000 1.096 223 D CA -0.220 53.782 54.000 0.004 0.000 0.844 223 D CB -0.419 40.391 40.800 0.018 0.000 0.925 223 D HN 0.360 nan 8.370 nan 0.000 0.513 224 c N 0.435 119.032 118.600 -0.004 0.000 2.656 224 c HA 0.170 4.740 4.570 0.000 0.000 0.391 224 c C 2.330 176.422 174.090 0.004 0.000 1.300 224 c CA -0.573 55.760 56.329 0.005 0.000 2.302 224 c CB 0.374 42.881 42.510 -0.005 0.000 2.655 224 c HN 0.290 nan 8.230 nan 0.000 0.656 225 L N 1.735 122.963 121.223 0.008 0.000 2.145 225 L HA 0.162 4.503 4.340 0.000 0.000 0.201 225 L C 0.067 176.939 176.870 0.003 0.000 1.075 225 L CA 1.109 55.951 54.840 0.004 0.000 0.773 225 L CB -0.441 41.620 42.059 0.003 0.000 0.936 225 L HN 0.472 nan 8.230 nan 0.000 0.451 226 V N -1.125 118.793 119.914 0.007 0.000 2.808 226 V HA 0.225 4.345 4.120 0.000 0.000 0.308 226 V C -0.471 175.630 176.094 0.012 0.000 1.099 226 V CA -1.128 61.176 62.300 0.007 0.000 0.920 226 V CB 2.004 33.831 31.823 0.007 0.000 1.014 226 V HN 0.146 nan 8.190 nan 0.000 0.425 227 c N 3.376 121.981 118.600 0.009 0.000 2.662 227 c HA 0.183 4.753 4.570 0.000 0.000 0.420 227 c C 1.983 176.083 174.090 0.017 0.000 1.314 227 c CA 0.080 56.417 56.329 0.014 0.000 1.963 227 c CB -0.078 42.441 42.510 0.015 0.000 2.686 227 c HN 1.051 nan 8.230 nan 0.000 0.609 228 R N 0.963 121.484 120.500 0.034 0.000 2.140 228 R HA 0.039 4.379 4.340 0.000 0.000 0.213 228 R C 1.718 178.029 176.300 0.018 0.000 1.059 228 R CA 0.920 57.044 56.100 0.039 0.000 1.000 228 R CB 0.051 30.389 30.300 0.063 0.000 0.910 228 R HN 0.643 nan 8.270 nan 0.000 0.455 229 K N -1.064 119.346 120.400 0.016 0.000 3.332 229 K HA 0.224 4.544 4.320 0.000 0.000 0.254 229 K C -0.261 176.200 176.600 -0.231 0.000 1.304 229 K CA 0.252 56.497 56.287 -0.071 0.000 1.215 229 K CB -0.019 32.564 32.500 0.138 0.000 2.064 229 K HN -0.137 nan 8.250 nan 0.000 0.423 230 F N 1.162 121.124 119.950 0.019 0.000 2.483 230 F HA 0.461 4.988 4.527 0.000 0.000 0.329 230 F C 0.531 176.335 175.800 0.007 0.000 1.064 230 F CA -0.695 57.312 58.000 0.012 0.000 0.986 230 F CB 1.235 40.243 39.000 0.013 0.000 1.218 230 F HN -0.056 nan 8.300 nan 0.000 0.484 231 R N 1.716 122.331 120.500 0.192 0.000 2.358 231 R HA 0.225 4.565 4.340 0.000 0.000 0.309 231 R C -1.529 174.835 176.300 0.107 0.000 1.026 231 R CA -0.506 55.658 56.100 0.106 0.000 0.909 231 R CB 0.512 30.848 30.300 0.060 0.000 1.153 231 R HN 0.601 nan 8.270 nan 0.000 0.515 232 D N 4.660 125.107 120.400 0.079 0.000 2.524 232 D HA 0.110 4.750 4.640 0.000 0.000 0.222 232 D C 0.047 176.367 176.300 0.035 0.000 1.142 232 D CA 0.191 54.225 54.000 0.056 0.000 0.973 232 D CB 0.287 41.108 40.800 0.034 0.000 1.025 232 D HN 0.742 nan 8.370 nan 0.000 0.519 233 E N 0.897 121.120 120.200 0.039 0.000 3.296 233 E HA -0.407 3.944 4.350 0.000 0.000 0.422 233 E C 1.144 177.754 176.600 0.016 0.000 1.557 233 E CA 1.672 58.088 56.400 0.026 0.000 1.302 233 E CB -1.329 28.383 29.700 0.020 0.000 1.497 233 E HN 0.443 nan 8.360 nan 0.000 0.467 234 A N 0.484 123.308 122.820 0.008 0.000 1.929 234 A HA -0.017 4.303 4.320 0.000 0.000 0.216 234 A C 1.346 178.924 177.584 -0.010 0.000 1.176 234 A CA 2.087 54.123 52.037 -0.000 0.000 0.628 234 A CB -0.445 18.554 19.000 -0.002 0.000 0.816 234 A HN 0.505 nan 8.150 nan 0.000 0.444 235 T N -3.910 110.635 114.554 -0.015 0.000 2.945 235 T HA 0.507 4.857 4.350 0.000 0.000 0.286 235 T C -0.412 174.268 174.700 -0.034 0.000 1.025 235 T CA -0.866 61.209 62.100 -0.041 0.000 1.039 235 T CB 1.261 70.095 68.868 -0.055 0.000 1.068 235 T HN 0.152 nan 8.240 nan 0.000 0.497 236 c N 3.283 121.840 118.600 -0.071 0.000 2.347 236 c HA 0.656 5.226 4.570 0.000 0.000 0.353 236 c C 0.382 174.456 174.090 -0.028 0.000 1.273 236 c CA -0.817 55.492 56.329 -0.033 0.000 1.861 236 c CB -0.509 41.975 42.510 -0.044 0.000 2.420 236 c HN 0.740 nan 8.230 nan 0.000 0.542 237 K N 2.006 122.443 120.400 0.062 0.000 2.267 237 K HA 0.256 4.576 4.320 0.000 0.000 0.246 237 K C 0.402 177.105 176.600 0.171 0.000 0.954 237 K CA -0.485 55.849 56.287 0.080 0.000 0.824 237 K CB 1.740 34.267 32.500 0.045 0.000 1.167 237 K HN 0.649 nan 8.250 nan 0.000 0.431 238 D N 0.402 120.888 120.400 0.143 0.000 2.213 238 D HA -0.030 4.611 4.640 0.000 0.000 0.205 238 D C -0.600 175.788 176.300 0.146 0.000 0.961 238 D CA 1.153 55.268 54.000 0.193 0.000 0.853 238 D CB 0.625 41.506 40.800 0.135 0.000 0.967 238 D HN 0.454 nan 8.370 nan 0.000 0.496 239 T N -0.041 114.482 114.554 -0.051 0.000 3.071 239 T HA 0.284 4.634 4.350 0.000 0.000 0.311 239 T C -0.610 173.912 174.700 -0.296 0.000 1.042 239 T CA -0.750 61.174 62.100 -0.294 0.000 1.028 239 T CB 1.114 69.887 68.868 -0.159 0.000 1.068 239 T HN 0.014 nan 8.240 nan 0.000 0.451 240 c N 4.758 123.070 118.600 -0.480 0.000 2.611 240 c HA 0.175 4.745 4.570 0.000 0.000 0.416 240 c C -1.753 172.233 174.090 -0.174 0.000 1.366 240 c CA -0.823 55.345 56.329 -0.269 0.000 1.761 240 c CB -0.768 41.582 42.510 -0.266 0.000 2.619 240 c HN 0.604 nan 8.230 nan 0.000 0.606 241 P HA 0.084 nan 4.420 nan 0.000 0.256 241 P C -2.286 174.947 177.300 -0.112 0.000 1.173 241 P CA -0.244 62.802 63.100 -0.090 0.000 0.768 241 P CB -0.273 31.386 31.700 -0.067 0.000 0.758 242 P HA 0.013 nan 4.420 nan 0.000 0.267 242 P C 1.069 178.302 177.300 -0.112 0.000 1.200 242 P CA 0.189 63.234 63.100 -0.092 0.000 0.772 242 P CB 0.469 32.140 31.700 -0.048 0.000 0.855 243 L N 0.720 121.855 121.223 -0.146 0.000 2.131 243 L HA -0.046 4.294 4.340 0.000 0.000 0.210 243 L C 1.125 177.945 176.870 -0.084 0.000 1.092 243 L CA 1.540 56.283 54.840 -0.160 0.000 0.759 243 L CB -0.320 41.622 42.059 -0.195 0.000 0.903 243 L HN 0.429 nan 8.230 nan 0.000 0.435 244 M N -0.386 119.181 119.600 -0.054 0.000 2.386 244 M HA 0.424 4.904 4.480 0.000 0.000 0.293 244 M C -1.312 174.987 176.300 -0.001 0.000 1.120 244 M CA -0.353 54.932 55.300 -0.024 0.000 0.909 244 M CB 3.172 35.765 32.600 -0.012 0.000 1.661 244 M HN -0.135 nan 8.290 nan 0.000 0.452 245 L N 1.688 122.914 121.223 0.005 0.000 2.334 245 L HA 0.525 4.865 4.340 0.000 0.000 0.273 245 L C -0.877 176.030 176.870 0.061 0.000 1.013 245 L CA -0.981 53.876 54.840 0.029 0.000 0.816 245 L CB 1.403 43.464 42.059 0.004 0.000 1.278 245 L HN 0.541 nan 8.230 nan 0.000 0.431 246 Y N 2.323 122.601 120.300 -0.036 0.000 2.359 246 Y HA 0.143 4.693 4.550 0.000 0.000 0.330 246 Y C 0.210 176.074 175.900 -0.061 0.000 1.143 246 Y CA -0.207 57.868 58.100 -0.042 0.000 1.318 246 Y CB 0.703 39.138 38.460 -0.041 0.000 1.234 246 Y HN 0.497 nan 8.280 nan 0.000 0.522 247 N N 8.016 126.292 118.700 -0.707 0.000 2.462 247 N HA 0.270 5.011 4.740 0.000 0.000 0.242 247 N C -2.271 172.748 175.510 -0.818 0.000 1.010 247 N CA -2.479 50.236 53.050 -0.558 0.000 0.939 247 N CB 1.449 39.725 38.487 -0.351 0.000 1.127 247 N HN 0.396 nan 8.380 nan 0.000 0.509 248 P HA -0.053 nan 4.420 nan 0.000 0.221 248 P C 0.704 177.704 177.300 -0.500 0.000 1.145 248 P CA 1.238 64.081 63.100 -0.427 0.000 0.795 248 P CB 0.469 32.064 31.700 -0.175 0.000 0.775 249 T N -1.695 112.655 114.554 -0.340 0.000 2.901 249 T HA -0.049 4.301 4.350 0.000 0.000 0.252 249 T C 1.624 176.260 174.700 -0.107 0.000 1.035 249 T CA 1.906 63.893 62.100 -0.187 0.000 1.142 249 T CB -0.852 67.954 68.868 -0.104 0.000 0.869 249 T HN 0.250 nan 8.240 nan 0.000 0.442 250 T N -1.303 113.166 114.554 -0.142 0.000 3.086 250 T HA 0.132 4.482 4.350 0.000 0.000 0.250 250 T C 0.443 175.189 174.700 0.076 0.000 1.074 250 T CA -0.333 61.763 62.100 -0.007 0.000 0.988 250 T CB -0.734 68.107 68.868 -0.046 0.000 0.988 250 T HN 0.405 nan 8.240 nan 0.000 0.530 251 Y N 1.293 121.464 120.300 -0.216 0.000 3.721 251 Y HA -0.212 4.338 4.550 0.000 0.000 0.218 251 Y C 0.663 176.499 175.900 -0.107 0.000 1.188 251 Y CA 0.374 58.383 58.100 -0.152 0.000 1.607 251 Y CB -2.120 36.362 38.460 0.036 0.000 1.496 251 Y HN 0.401 nan 8.280 nan 0.000 0.626 252 Q N -1.054 118.642 119.800 -0.174 0.000 2.892 252 Q HA 0.684 5.024 4.340 0.000 0.000 0.307 252 Q C -0.601 175.334 176.000 -0.109 0.000 1.039 252 Q CA -1.313 54.463 55.803 -0.045 0.000 0.792 252 Q CB 1.329 30.059 28.738 -0.014 0.000 1.504 252 Q HN 0.241 nan 8.270 nan 0.000 0.487 253 M N 1.412 121.013 119.600 0.002 0.000 2.268 253 M HA 0.317 4.798 4.480 0.000 0.000 0.344 253 M C -1.396 174.893 176.300 -0.018 0.000 1.106 253 M CA -0.065 55.246 55.300 0.019 0.000 1.010 253 M CB 1.081 33.721 32.600 0.066 0.000 1.649 253 M HN 0.273 nan 8.290 nan 0.000 0.443 254 D N 2.413 122.795 120.400 -0.031 0.000 2.269 254 D HA 0.421 5.061 4.640 0.000 0.000 0.244 254 D C -0.803 175.484 176.300 -0.022 0.000 0.992 254 D CA -0.354 53.627 54.000 -0.033 0.000 0.894 254 D CB 1.855 42.626 40.800 -0.050 0.000 1.248 254 D HN 0.273 nan 8.370 nan 0.000 0.468 255 V N 2.282 122.183 119.914 -0.021 0.000 2.614 255 V HA 0.074 4.194 4.120 0.000 0.000 0.291 255 V C 0.453 176.532 176.094 -0.026 0.000 1.049 255 V CA -0.275 62.012 62.300 -0.022 0.000 1.038 255 V CB 0.820 32.634 31.823 -0.016 0.000 0.980 255 V HN 0.421 nan 8.190 nan 0.000 0.481 256 N N 6.364 125.044 118.700 -0.034 0.000 2.457 256 N HA 0.360 5.100 4.740 0.000 0.000 0.250 256 N C -1.743 173.745 175.510 -0.037 0.000 0.982 256 N CA -2.071 50.958 53.050 -0.036 0.000 0.941 256 N CB 1.916 40.377 38.487 -0.044 0.000 1.120 256 N HN 0.204 nan 8.380 nan 0.000 0.505 257 P HA -0.102 nan 4.420 nan 0.000 0.215 257 P C 0.428 177.714 177.300 -0.023 0.000 1.157 257 P CA 1.154 64.243 63.100 -0.019 0.000 0.868 257 P CB 0.327 32.019 31.700 -0.013 0.000 0.788 258 E N -0.137 120.048 120.200 -0.025 0.000 2.515 258 E HA 0.005 4.356 4.350 0.000 0.000 0.201 258 E C 1.150 177.724 176.600 -0.044 0.000 1.071 258 E CA 0.357 56.741 56.400 -0.026 0.000 0.880 258 E CB -0.824 28.862 29.700 -0.023 0.000 0.828 258 E HN 0.204 nan 8.360 nan 0.000 0.540 259 G N 1.615 110.377 108.800 -0.062 0.000 2.272 259 G HA2 0.090 4.050 3.960 0.000 0.000 0.247 259 G HA3 0.090 4.050 3.960 0.000 0.000 0.247 259 G C -0.043 174.778 174.900 -0.133 0.000 1.272 259 G CA 0.024 45.056 45.100 -0.113 0.000 0.921 259 G HN -0.067 nan 8.290 nan 0.000 0.495 260 K N 0.693 120.995 120.400 -0.163 0.000 2.395 260 K HA 0.604 4.924 4.320 0.000 0.000 0.245 260 K C -1.019 175.440 176.600 -0.235 0.000 1.017 260 K CA -0.719 55.496 56.287 -0.119 0.000 0.852 260 K CB 1.375 33.861 32.500 -0.024 0.000 1.311 260 K HN 0.513 nan 8.250 nan 0.000 0.452 261 Y N -0.564 119.741 120.300 0.008 0.000 2.419 261 Y HA 0.370 4.920 4.550 0.000 0.000 0.328 261 Y C 0.122 176.048 175.900 0.043 0.000 1.162 261 Y CA -0.478 57.637 58.100 0.024 0.000 1.174 261 Y CB 2.065 40.543 38.460 0.029 0.000 1.228 261 Y HN 0.315 nan 8.280 nan 0.000 0.473 262 S N 3.035 118.863 115.700 0.214 0.000 2.466 262 S HA 0.263 4.733 4.470 0.000 0.000 0.313 262 S C -1.274 173.473 174.600 0.246 0.000 1.078 262 S CA -0.419 57.882 58.200 0.167 0.000 1.115 262 S CB -0.609 62.625 63.200 0.056 0.000 1.006 262 S HN 0.421 nan 8.310 nan 0.000 0.487 263 F N 3.427 123.421 119.950 0.074 0.000 2.402 263 F HA 0.594 5.121 4.527 0.000 0.000 0.355 263 F C 0.966 176.771 175.800 0.009 0.000 1.123 263 F CA 0.213 58.194 58.000 -0.031 0.000 1.021 263 F CB 0.235 39.173 39.000 -0.103 0.000 1.160 263 F HN 0.733 nan 8.300 nan 0.000 0.451 264 G N 4.330 112.821 108.800 -0.514 0.000 2.629 264 G HA2 -0.293 3.667 3.960 0.000 0.000 0.313 264 G HA3 -0.293 3.667 3.960 0.000 0.000 0.313 264 G C 0.624 175.441 174.900 -0.137 0.000 1.217 264 G CA 0.454 45.323 45.100 -0.385 0.000 0.994 264 G HN 1.599 nan 8.290 nan 0.000 0.549 265 A N 0.362 123.097 122.820 -0.140 0.000 2.535 265 A HA 0.669 4.990 4.320 0.000 0.000 0.273 265 A C 0.907 178.522 177.584 0.051 0.000 1.267 265 A CA 1.566 53.487 52.037 -0.193 0.000 0.940 265 A CB -0.220 18.625 19.000 -0.259 0.000 1.101 265 A HN 2.034 nan 8.150 nan 0.000 0.521 266 T N -3.596 111.055 114.554 0.162 0.000 2.908 266 T HA 0.502 4.852 4.350 0.000 0.000 0.290 266 T C -0.564 174.282 174.700 0.244 0.000 1.034 266 T CA -0.755 61.462 62.100 0.197 0.000 1.010 266 T CB 1.346 70.307 68.868 0.155 0.000 1.068 266 T HN 0.107 nan 8.240 nan 0.000 0.481 267 c N 3.560 122.269 118.600 0.181 0.000 2.223 267 c HA 0.694 5.264 4.570 0.000 0.000 0.324 267 c C 0.944 175.105 174.090 0.119 0.000 1.196 267 c CA -0.805 55.604 56.329 0.134 0.000 1.628 267 c CB -1.238 41.315 42.510 0.071 0.000 2.229 267 c HN 0.859 nan 8.230 nan 0.000 0.486 268 V N 2.732 122.735 119.914 0.148 0.000 3.096 268 V HA 0.642 4.762 4.120 0.000 0.000 0.319 268 V C 0.524 176.709 176.094 0.152 0.000 1.082 268 V CA -0.537 61.831 62.300 0.114 0.000 1.022 268 V CB 1.295 33.152 31.823 0.058 0.000 1.103 268 V HN 0.651 nan 8.190 nan 0.000 0.455 269 K N 0.645 121.112 120.400 0.111 0.000 2.211 269 K HA 0.224 4.544 4.320 0.000 0.000 0.201 269 K C 0.446 177.179 176.600 0.222 0.000 1.052 269 K CA 1.178 57.557 56.287 0.154 0.000 0.973 269 K CB -0.076 32.469 32.500 0.075 0.000 0.766 269 K HN 0.888 nan 8.250 nan 0.000 0.466 270 K N -1.454 118.961 120.400 0.026 0.000 2.532 270 K HA 0.440 4.760 4.320 0.000 0.000 0.265 270 K C -1.169 175.237 176.600 -0.323 0.000 0.948 270 K CA -0.852 55.298 56.287 -0.229 0.000 0.842 270 K CB 1.403 33.806 32.500 -0.162 0.000 1.392 270 K HN -0.180 nan 8.250 nan 0.000 0.436 271 c N 2.219 120.530 118.600 -0.481 0.000 2.539 271 c HA 0.367 4.938 4.570 0.000 0.000 0.392 271 c C -2.075 171.849 174.090 -0.278 0.000 1.269 271 c CA -0.976 55.135 56.329 -0.363 0.000 2.250 271 c CB -0.190 42.157 42.510 -0.271 0.000 2.584 271 c HN 0.650 nan 8.230 nan 0.000 0.589 272 P HA 0.071 nan 4.420 nan 0.000 0.262 272 P C 0.619 177.919 177.300 -0.001 0.000 1.182 272 P CA 0.413 63.416 63.100 -0.162 0.000 0.761 272 P CB 0.341 31.966 31.700 -0.126 0.000 0.795 273 R N 2.778 123.269 120.500 -0.014 0.000 2.133 273 R HA -0.228 4.112 4.340 0.000 0.000 0.247 273 R C 1.688 178.012 176.300 0.039 0.000 1.151 273 R CA 1.977 58.081 56.100 0.006 0.000 0.971 273 R CB -0.621 29.681 30.300 0.003 0.000 0.866 273 R HN 0.621 nan 8.270 nan 0.000 0.447 274 N N -0.106 118.627 118.700 0.055 0.000 2.457 274 N HA -0.136 4.604 4.740 0.000 0.000 0.180 274 N C 0.192 175.690 175.510 -0.021 0.000 1.050 274 N CA 0.831 53.887 53.050 0.011 0.000 0.906 274 N CB -0.274 38.198 38.487 -0.026 0.000 0.968 274 N HN 0.196 nan 8.380 nan 0.000 0.445 275 Y N 0.343 120.661 120.300 0.030 0.000 2.295 275 Y HA 0.329 4.879 4.550 0.000 0.000 0.331 275 Y C 0.654 176.581 175.900 0.044 0.000 1.311 275 Y CA -0.727 57.412 58.100 0.065 0.000 1.430 275 Y CB 1.060 39.590 38.460 0.116 0.000 1.339 275 Y HN -0.290 nan 8.280 nan 0.000 0.552 276 V N 2.831 122.899 119.914 0.256 0.000 2.407 276 V HA 0.218 4.338 4.120 0.000 0.000 0.278 276 V C -0.699 175.491 176.094 0.159 0.000 1.037 276 V CA -0.816 61.580 62.300 0.160 0.000 0.900 276 V CB 1.183 33.085 31.823 0.133 0.000 0.983 276 V HN 0.418 nan 8.190 nan 0.000 0.459 277 V N 5.262 125.237 119.914 0.103 0.000 2.364 277 V HA 0.347 4.467 4.120 0.000 0.000 0.272 277 V C 0.673 176.847 176.094 0.133 0.000 1.036 277 V CA -0.421 61.938 62.300 0.099 0.000 0.880 277 V CB 1.284 33.117 31.823 0.017 0.000 0.991 277 V HN 1.032 nan 8.190 nan 0.000 0.460 278 T N 0.273 114.935 114.554 0.179 0.000 2.847 278 T HA 0.253 4.603 4.350 0.000 0.000 0.279 278 T C 0.741 175.525 174.700 0.139 0.000 0.984 278 T CA -0.672 61.526 62.100 0.164 0.000 0.988 278 T CB 1.304 70.317 68.868 0.242 0.000 1.040 278 T HN 0.521 nan 8.240 nan 0.000 0.528 279 D N 0.028 120.443 120.400 0.025 0.000 2.144 279 D HA -0.076 4.565 4.640 0.000 0.000 0.200 279 D C 1.884 178.145 176.300 -0.065 0.000 0.978 279 D CA 1.475 55.443 54.000 -0.053 0.000 0.833 279 D CB -0.492 40.215 40.800 -0.155 0.000 0.961 279 D HN 0.769 nan 8.370 nan 0.000 0.470 280 H N 0.193 119.281 119.070 0.030 0.000 2.357 280 H HA -0.002 4.554 4.556 0.000 0.000 0.296 280 H C 1.263 176.574 175.328 -0.029 0.000 1.108 280 H CA 1.579 57.628 56.048 0.002 0.000 1.273 280 H CB -0.116 29.651 29.762 0.009 0.000 1.367 280 H HN 0.299 nan 8.280 nan 0.000 0.498 281 G N -0.236 108.649 108.800 0.141 0.000 2.629 281 G HA2 -0.077 3.884 3.960 0.000 0.000 0.154 281 G HA3 -0.077 3.884 3.960 0.000 0.000 0.154 281 G C -0.577 174.422 174.900 0.164 0.000 1.077 281 G CA -0.046 45.059 45.100 0.007 0.000 0.831 281 G HN 0.717 nan 8.290 nan 0.000 0.495 282 S N -1.600 114.285 115.700 0.307 0.000 2.533 282 S HA 0.657 5.127 4.470 0.000 0.000 0.271 282 S C -0.134 174.617 174.600 0.253 0.000 1.143 282 S CA -0.650 57.703 58.200 0.255 0.000 0.891 282 S CB 1.676 64.960 63.200 0.141 0.000 1.105 282 S HN 1.026 nan 8.310 nan 0.000 0.468 283 c N 3.408 122.145 118.600 0.229 0.000 2.394 283 c HA 0.753 5.323 4.570 0.000 0.000 0.362 283 c C 0.953 175.176 174.090 0.221 0.000 1.268 283 c CA -0.491 55.963 56.329 0.209 0.000 1.828 283 c CB -0.950 41.674 42.510 0.190 0.000 2.442 283 c HN 0.836 nan 8.230 nan 0.000 0.549 284 V N 2.522 122.610 119.914 0.290 0.000 3.158 284 V HA 0.647 4.767 4.120 0.000 0.000 0.315 284 V C 0.357 176.674 176.094 0.370 0.000 1.148 284 V CA -0.913 61.553 62.300 0.277 0.000 1.042 284 V CB 1.654 33.581 31.823 0.173 0.000 1.101 284 V HN 0.786 nan 8.190 nan 0.000 0.448 285 R N 0.333 120.977 120.500 0.239 0.000 2.365 285 R HA 0.732 5.073 4.340 0.000 0.000 0.223 285 R C 0.258 176.597 176.300 0.065 0.000 0.899 285 R CA 0.765 56.941 56.100 0.126 0.000 1.059 285 R CB 1.166 31.529 30.300 0.105 0.000 1.086 285 R HN 1.018 nan 8.270 nan 0.000 0.522 286 A N -0.160 122.709 122.820 0.083 0.000 2.612 286 A HA 0.521 4.841 4.320 0.000 0.000 0.293 286 A C -1.197 176.426 177.584 0.065 0.000 1.075 286 A CA -0.802 51.273 52.037 0.062 0.000 0.680 286 A CB 1.024 20.053 19.000 0.049 0.000 1.279 286 A HN 0.159 nan 8.150 nan 0.000 0.411 287 c N 0.648 119.281 118.600 0.056 0.000 2.366 287 c HA 0.762 5.332 4.570 0.000 0.000 0.345 287 c C 1.436 175.547 174.090 0.035 0.000 1.209 287 c CA -0.170 56.185 56.329 0.044 0.000 2.050 287 c CB 0.691 43.218 42.510 0.029 0.000 2.359 287 c HN 1.279 nan 8.230 nan 0.000 0.527 288 G N 0.979 109.795 108.800 0.028 0.000 2.647 288 G HA2 0.364 4.324 3.960 0.000 0.000 0.234 288 G HA3 0.364 4.324 3.960 0.000 0.000 0.234 288 G C 0.959 175.870 174.900 0.018 0.000 1.252 288 G CA 0.290 45.403 45.100 0.021 0.000 0.846 288 G HN 1.245 nan 8.290 nan 0.000 0.589 289 A N 0.250 123.081 122.820 0.018 0.000 2.259 289 A HA 0.013 4.333 4.320 0.000 0.000 0.212 289 A C 1.572 179.169 177.584 0.022 0.000 1.178 289 A CA 1.543 53.594 52.037 0.024 0.000 0.734 289 A CB -0.109 18.902 19.000 0.017 0.000 0.774 289 A HN 0.535 nan 8.150 nan 0.000 0.481 290 D N -0.263 120.142 120.400 0.008 0.000 2.349 290 D HA 0.063 4.704 4.640 0.000 0.000 0.215 290 D C 0.846 177.127 176.300 -0.032 0.000 1.016 290 D CA 1.109 55.107 54.000 -0.003 0.000 0.870 290 D CB 0.175 40.971 40.800 -0.008 0.000 0.917 290 D HN 0.567 nan 8.370 nan 0.000 0.524 291 S N -0.966 114.707 115.700 -0.045 0.000 2.752 291 S HA 0.617 5.087 4.470 0.000 0.000 0.284 291 S C -0.934 173.624 174.600 -0.070 0.000 1.189 291 S CA -1.013 57.085 58.200 -0.170 0.000 0.835 291 S CB 1.514 64.571 63.200 -0.238 0.000 1.192 291 S HN 0.121 nan 8.310 nan 0.000 0.506 292 Y N -0.760 119.557 120.300 0.028 0.000 2.833 292 Y HA 0.783 5.333 4.550 0.000 0.000 0.319 292 Y C -0.621 175.298 175.900 0.031 0.000 1.254 292 Y CA -1.350 56.767 58.100 0.029 0.000 1.138 292 Y CB 0.404 38.879 38.460 0.025 0.000 1.352 292 Y HN 0.641 nan 8.280 nan 0.000 0.546 293 E N 1.390 121.784 120.200 0.322 0.000 2.063 293 E HA 0.310 4.660 4.350 0.000 0.000 0.265 293 E C -1.510 175.236 176.600 0.243 0.000 0.919 293 E CA -0.563 55.956 56.400 0.199 0.000 0.756 293 E CB 1.380 31.154 29.700 0.124 0.000 1.120 293 E HN 0.562 nan 8.360 nan 0.000 0.414 294 M N 3.233 122.971 119.600 0.231 0.000 2.061 294 M HA 0.143 4.623 4.480 0.000 0.000 0.346 294 M C -0.473 175.894 176.300 0.113 0.000 1.112 294 M CA -0.143 55.281 55.300 0.206 0.000 1.021 294 M CB 0.539 33.294 32.600 0.257 0.000 1.530 294 M HN 0.190 nan 8.290 nan 0.000 0.437 295 E N 2.908 123.160 120.200 0.087 0.000 2.480 295 E HA -0.028 4.322 4.350 0.000 0.000 0.258 295 E C -0.414 176.219 176.600 0.055 0.000 0.984 295 E CA 0.353 56.789 56.400 0.061 0.000 0.930 295 E CB 0.449 30.178 29.700 0.048 0.000 0.936 295 E HN 0.453 nan 8.360 nan 0.000 0.466 296 E N 3.535 123.763 120.200 0.046 0.000 2.916 296 E HA 0.054 4.404 4.350 0.000 0.000 0.217 296 E C -0.988 175.631 176.600 0.032 0.000 1.100 296 E CA -0.228 56.197 56.400 0.041 0.000 0.891 296 E CB 0.035 29.760 29.700 0.041 0.000 1.311 296 E HN 0.471 nan 8.360 nan 0.000 0.421 297 D N 1.066 121.484 120.400 0.030 0.000 2.653 297 D HA -0.214 4.426 4.640 0.000 0.000 0.184 297 D C 0.913 177.225 176.300 0.021 0.000 0.993 297 D CA 1.691 55.706 54.000 0.024 0.000 1.027 297 D CB -1.009 39.805 40.800 0.023 0.000 1.089 297 D HN 0.637 nan 8.370 nan 0.000 0.447 298 G N -1.399 107.413 108.800 0.021 0.000 4.226 298 G HA2 0.272 4.232 3.960 0.000 0.000 0.220 298 G HA3 0.272 4.232 3.960 0.000 0.000 0.220 298 G C -0.174 174.733 174.900 0.012 0.000 0.817 298 G CA 0.351 45.460 45.100 0.016 0.000 0.879 298 G HN 0.966 nan 8.290 nan 0.000 0.669 299 V N -1.209 118.714 119.914 0.015 0.000 2.531 299 V HA 0.772 4.892 4.120 0.000 0.000 0.301 299 V C -0.199 175.912 176.094 0.028 0.000 1.034 299 V CA -1.676 60.630 62.300 0.011 0.000 0.865 299 V CB 1.624 33.442 31.823 -0.008 0.000 0.995 299 V HN 0.146 nan 8.190 nan 0.000 0.424 300 R N 3.348 123.870 120.500 0.036 0.000 2.473 300 R HA 0.334 4.674 4.340 0.000 0.000 0.315 300 R C -0.229 176.105 176.300 0.057 0.000 0.972 300 R CA 0.365 56.495 56.100 0.051 0.000 1.047 300 R CB 0.043 30.376 30.300 0.055 0.000 0.932 300 R HN 0.769 nan 8.270 nan 0.000 0.411 301 K N 1.277 121.712 120.400 0.058 0.000 2.350 301 K HA 0.461 4.781 4.320 0.000 0.000 0.241 301 K C -0.769 175.855 176.600 0.040 0.000 0.994 301 K CA -0.641 55.677 56.287 0.052 0.000 0.839 301 K CB 2.038 34.564 32.500 0.043 0.000 1.244 301 K HN 0.490 nan 8.250 nan 0.000 0.443 302 c N 2.157 120.767 118.600 0.017 0.000 2.322 302 c HA 0.434 5.004 4.570 0.000 0.000 0.324 302 c C 0.460 174.498 174.090 -0.086 0.000 1.284 302 c CA -0.662 55.647 56.329 -0.033 0.000 1.606 302 c CB 0.467 42.975 42.510 -0.004 0.000 2.251 302 c HN 0.816 nan 8.230 nan 0.000 0.502 303 K N 1.705 121.982 120.400 -0.205 0.000 3.705 303 K HA 0.573 4.893 4.320 0.000 0.000 0.259 303 K C -0.750 175.690 176.600 -0.266 0.000 0.995 303 K CA -0.626 55.532 56.287 -0.216 0.000 1.722 303 K CB 0.338 32.707 32.500 -0.218 0.000 3.149 303 K HN 0.286 nan 8.250 nan 0.000 0.897 304 K N 0.069 120.273 120.400 -0.327 0.000 2.508 304 K HA 0.352 4.672 4.320 0.000 0.000 0.260 304 K C -1.492 174.966 176.600 -0.237 0.000 0.949 304 K CA -0.448 55.695 56.287 -0.240 0.000 0.834 304 K CB 2.064 34.505 32.500 -0.099 0.000 1.365 304 K HN 0.470 nan 8.250 nan 0.000 0.437 305 c N 1.354 119.903 118.600 -0.085 0.000 2.466 305 c HA 0.238 4.808 4.570 0.000 0.000 0.379 305 c C 0.938 175.094 174.090 0.111 0.000 1.251 305 c CA -0.299 56.112 56.329 0.137 0.000 2.263 305 c CB 0.562 43.167 42.510 0.159 0.000 2.511 305 c HN 0.803 nan 8.230 nan 0.000 0.573 306 E N 0.654 120.944 120.200 0.149 0.000 2.351 306 E HA 0.415 4.765 4.350 0.000 0.000 0.236 306 E C 0.764 177.403 176.600 0.064 0.000 1.341 306 E CA 0.750 57.204 56.400 0.089 0.000 1.579 306 E CB -0.595 29.157 29.700 0.087 0.000 1.393 306 E HN 0.966 nan 8.360 nan 0.000 0.438 307 G N 0.361 109.197 108.800 0.060 0.000 2.295 307 G HA2 -0.099 3.861 3.960 0.000 0.000 0.155 307 G HA3 -0.099 3.861 3.960 0.000 0.000 0.155 307 G C -2.307 172.620 174.900 0.046 0.000 1.307 307 G CA -0.765 44.361 45.100 0.044 0.000 1.140 307 G HN 0.157 nan 8.290 nan 0.000 0.470 308 P HA 0.495 nan 4.420 nan 0.000 0.273 308 P C 0.118 177.450 177.300 0.053 0.000 1.319 308 P CA -0.358 62.765 63.100 0.038 0.000 0.885 308 P CB 0.287 32.004 31.700 0.028 0.000 1.015 309 c N 3.792 122.431 118.600 0.065 0.000 2.665 309 c HA 0.066 4.636 4.570 0.000 0.000 0.416 309 c C 1.484 175.616 174.090 0.069 0.000 1.305 309 c CA -0.417 55.967 56.329 0.093 0.000 1.903 309 c CB -0.564 42.005 42.510 0.098 0.000 2.704 309 c HN 0.559 nan 8.230 nan 0.000 0.629 310 R N 1.457 122.001 120.500 0.074 0.000 2.697 310 R HA 0.035 4.376 4.340 0.000 0.000 0.265 310 R C 0.335 176.666 176.300 0.051 0.000 1.009 310 R CA 0.179 56.309 56.100 0.051 0.000 1.099 310 R CB 0.330 30.655 30.300 0.042 0.000 0.965 310 R HN 0.645 nan 8.270 nan 0.000 0.428 311 K N 2.126 122.550 120.400 0.040 0.000 2.472 311 K HA 0.005 4.325 4.320 0.000 0.000 0.280 311 K C -0.450 176.177 176.600 0.045 0.000 1.028 311 K CA -0.064 56.245 56.287 0.037 0.000 1.045 311 K CB 0.656 33.174 32.500 0.030 0.000 0.902 311 K HN 0.317 nan 8.250 nan 0.000 0.478 312 V N 6.810 126.749 119.914 0.042 0.000 2.383 312 V HA 0.250 4.370 4.120 0.000 0.000 0.275 312 V C -0.902 175.217 176.094 0.041 0.000 1.036 312 V CA -0.664 61.665 62.300 0.048 0.000 0.889 312 V CB 0.384 32.235 31.823 0.046 0.000 0.985 312 V HN 0.938 nan 8.190 nan 0.000 0.459 313 c N 7.064 125.702 118.600 0.064 0.000 2.255 313 c HA 0.445 5.015 4.570 0.000 0.000 0.326 313 c C 0.392 174.547 174.090 0.109 0.000 1.258 313 c CA -1.081 55.283 56.329 0.059 0.000 1.676 313 c CB -0.505 42.063 42.510 0.097 0.000 2.314 313 c HN 0.876 nan 8.230 nan 0.000 0.509 314 N N 1.909 120.665 118.700 0.092 0.000 2.483 314 N HA 0.229 4.969 4.740 0.000 0.000 0.264 314 N C 0.546 176.231 175.510 0.292 0.000 1.197 314 N CA 0.534 53.672 53.050 0.146 0.000 0.927 314 N CB 0.967 39.505 38.487 0.085 0.000 1.065 314 N HN 0.925 nan 8.380 nan 0.000 0.461 315 G N 1.765 110.701 108.800 0.226 0.000 2.569 315 G HA2 0.226 4.186 3.960 0.000 0.000 0.249 315 G HA3 0.226 4.186 3.960 0.000 0.000 0.249 315 G C 0.545 175.575 174.900 0.217 0.000 1.216 315 G CA -0.615 44.620 45.100 0.225 0.000 0.845 315 G HN 0.489 nan 8.290 nan 0.000 0.568 316 I N 0.945 121.598 120.570 0.138 0.000 2.919 316 I HA 0.067 4.238 4.170 0.000 0.000 0.303 316 I C 1.601 177.703 176.117 -0.026 0.000 1.221 316 I CA 2.109 63.428 61.300 0.033 0.000 1.444 316 I CB -0.033 37.915 38.000 -0.086 0.000 1.331 316 I HN 1.043 nan 8.210 nan 0.000 0.572 317 G N 5.624 114.424 108.800 -0.000 0.000 2.159 317 G HA2 -0.212 3.748 3.960 0.000 0.000 0.227 317 G HA3 -0.212 3.748 3.960 0.000 0.000 0.227 317 G C -0.037 174.881 174.900 0.030 0.000 0.986 317 G CA 0.031 45.111 45.100 -0.032 0.000 0.651 317 G HN 0.560 nan 8.290 nan 0.000 0.523 318 I N -0.636 119.979 120.570 0.075 0.000 2.894 318 I HA 0.550 4.720 4.170 0.000 0.000 0.302 318 I C 1.355 177.484 176.117 0.020 0.000 1.188 318 I CA 0.332 61.658 61.300 0.044 0.000 1.014 318 I CB 1.617 39.641 38.000 0.040 0.000 1.242 318 I HN 1.159 nan 8.210 nan 0.000 0.430 319 G N 5.335 114.114 108.800 -0.035 0.000 2.685 319 G HA2 -0.394 3.566 3.960 0.000 0.000 0.329 319 G HA3 -0.394 3.566 3.960 0.000 0.000 0.329 319 G C 0.706 175.487 174.900 -0.199 0.000 1.271 319 G CA 0.933 45.972 45.100 -0.103 0.000 1.003 319 G HN 0.903 nan 8.290 nan 0.000 0.549 320 E N 0.245 120.212 120.200 -0.389 0.000 2.455 320 E HA 0.068 4.418 4.350 0.000 0.000 0.202 320 E C 1.029 177.108 176.600 -0.867 0.000 1.045 320 E CA 1.492 57.472 56.400 -0.700 0.000 0.872 320 E CB -0.150 28.934 29.700 -1.027 0.000 0.792 320 E HN 0.475 nan 8.360 nan 0.000 0.542 321 F N 0.028 119.926 119.950 -0.087 0.000 2.815 321 F HA 0.337 4.864 4.527 0.000 0.000 0.335 321 F C 1.299 177.071 175.800 -0.047 0.000 1.179 321 F CA -0.888 57.077 58.000 -0.057 0.000 1.204 321 F CB 0.799 39.788 39.000 -0.018 0.000 1.050 321 F HN -0.171 nan 8.300 nan 0.000 0.510 322 K N 0.954 121.384 120.400 0.051 0.000 2.147 322 K HA -0.138 4.182 4.320 0.000 0.000 0.205 322 K C 1.259 177.879 176.600 0.034 0.000 1.049 322 K CA 1.959 58.263 56.287 0.028 0.000 0.936 322 K CB -0.086 32.410 32.500 -0.007 0.000 0.722 322 K HN 0.079 nan 8.250 nan 0.000 0.446 323 D N -0.190 120.237 120.400 0.045 0.000 2.162 323 D HA -0.025 4.615 4.640 0.000 0.000 0.205 323 D C 0.082 176.418 176.300 0.061 0.000 0.964 323 D CA 0.780 54.809 54.000 0.049 0.000 0.847 323 D CB -0.319 40.508 40.800 0.044 0.000 0.988 323 D HN 0.265 nan 8.370 nan 0.000 0.480 324 S N 1.062 116.816 115.700 0.090 0.000 2.549 324 S HA 0.166 4.637 4.470 0.000 0.000 0.283 324 S C 0.967 175.559 174.600 -0.012 0.000 1.320 324 S CA -0.495 57.747 58.200 0.070 0.000 1.058 324 S CB 0.988 64.259 63.200 0.119 0.000 0.882 324 S HN 0.166 nan 8.310 nan 0.000 0.498 325 L N 0.021 121.230 121.223 -0.024 0.000 2.728 325 L HA 0.605 4.945 4.340 0.000 0.000 0.238 325 L C 0.364 177.191 176.870 -0.070 0.000 1.143 325 L CA -0.064 54.727 54.840 -0.083 0.000 0.937 325 L CB -0.505 41.552 42.059 -0.003 0.000 1.225 325 L HN 0.689 nan 8.230 nan 0.000 0.507 326 S N -0.037 115.632 115.700 -0.051 0.000 2.560 326 S HA 0.412 4.882 4.470 0.000 0.000 0.283 326 S C -0.792 173.756 174.600 -0.086 0.000 1.141 326 S CA -0.807 57.377 58.200 -0.027 0.000 0.902 326 S CB 0.880 64.072 63.200 -0.013 0.000 1.104 326 S HN 0.303 nan 8.310 nan 0.000 0.454 327 I N 4.880 125.373 120.570 -0.128 0.000 2.828 327 I HA 0.128 4.298 4.170 0.000 0.000 0.292 327 I C -0.213 175.798 176.117 -0.176 0.000 1.206 327 I CA 0.747 61.931 61.300 -0.195 0.000 1.420 327 I CB -0.285 37.523 38.000 -0.320 0.000 1.368 327 I HN 0.833 nan 8.210 nan 0.000 0.556 328 N N 5.298 123.931 118.700 -0.112 0.000 3.102 328 N HA 0.544 5.284 4.740 0.000 0.000 0.299 328 N C 0.292 175.776 175.510 -0.042 0.000 1.482 328 N CA -0.263 52.727 53.050 -0.100 0.000 0.785 328 N CB 0.996 39.451 38.487 -0.054 0.000 1.680 328 N HN 0.406 nan 8.380 nan 0.000 0.594 329 A N -0.680 122.123 122.820 -0.029 0.000 1.978 329 A HA -0.128 4.192 4.320 0.000 0.000 0.220 329 A C 1.665 179.271 177.584 0.036 0.000 1.170 329 A CA 2.188 54.227 52.037 0.003 0.000 0.636 329 A CB -1.480 17.527 19.000 0.011 0.000 0.810 329 A HN 0.738 nan 8.150 nan 0.000 0.448 330 T N 1.160 115.749 114.554 0.058 0.000 2.684 330 T HA -0.114 4.236 4.350 0.000 0.000 0.253 330 T C 1.786 176.588 174.700 0.171 0.000 1.057 330 T CA 1.406 63.567 62.100 0.101 0.000 1.162 330 T CB -0.489 68.447 68.868 0.112 0.000 0.868 330 T HN 0.818 nan 8.240 nan 0.000 0.409 331 N N 1.726 120.549 118.700 0.206 0.000 2.550 331 N HA 0.034 4.774 4.740 0.000 0.000 0.186 331 N C 1.521 177.246 175.510 0.360 0.000 1.110 331 N CA 0.365 53.628 53.050 0.356 0.000 0.912 331 N CB -0.870 37.715 38.487 0.163 0.000 0.968 331 N HN 0.442 nan 8.380 nan 0.000 0.448 332 I N 0.168 120.872 120.570 0.223 0.000 2.916 332 I HA -0.149 4.021 4.170 0.000 0.000 0.267 332 I C 1.327 177.571 176.117 0.211 0.000 1.263 332 I CA 0.729 62.185 61.300 0.260 0.000 1.471 332 I CB 0.040 38.088 38.000 0.080 0.000 1.089 332 I HN 0.116 nan 8.210 nan 0.000 0.468 333 K N -0.315 120.123 120.400 0.064 0.000 2.147 333 K HA -0.177 4.143 4.320 0.000 0.000 0.205 333 K C 1.043 177.522 176.600 -0.202 0.000 1.049 333 K CA 1.337 57.542 56.287 -0.136 0.000 0.936 333 K CB -0.373 31.933 32.500 -0.324 0.000 0.722 333 K HN 0.510 nan 8.250 nan 0.000 0.446 334 H N -1.087 117.985 119.070 0.004 0.000 2.555 334 H HA 0.114 4.671 4.556 0.000 0.000 0.283 334 H C -0.047 175.033 175.328 -0.414 0.000 1.037 334 H CA 0.238 56.197 56.048 -0.148 0.000 1.169 334 H CB -0.206 29.527 29.762 -0.049 0.000 1.375 334 H HN 0.098 nan 8.280 nan 0.000 0.582 335 F N -0.801 119.206 119.950 0.096 0.000 2.735 335 F HA 0.240 4.767 4.527 0.000 0.000 0.308 335 F C 1.640 177.449 175.800 0.015 0.000 1.112 335 F CA -0.404 57.625 58.000 0.048 0.000 1.235 335 F CB 0.644 39.644 39.000 0.001 0.000 1.027 335 F HN -0.120 nan 8.300 nan 0.000 0.528 336 K N 1.113 121.582 120.400 0.115 0.000 1.969 336 K HA -0.083 4.238 4.320 0.000 0.000 0.223 336 K C 0.625 177.261 176.600 0.061 0.000 1.048 336 K CA 1.571 57.897 56.287 0.064 0.000 0.983 336 K CB -0.208 32.303 32.500 0.018 0.000 0.738 336 K HN -0.055 nan 8.250 nan 0.000 0.446 337 N N 0.317 119.045 118.700 0.047 0.000 3.271 337 N HA 0.138 4.878 4.740 0.000 0.000 0.303 337 N C -1.347 174.196 175.510 0.055 0.000 1.415 337 N CA -0.135 52.940 53.050 0.041 0.000 1.159 337 N CB -0.193 38.309 38.487 0.025 0.000 1.432 337 N HN 0.151 nan 8.380 nan 0.000 0.521 338 c N -0.204 118.447 118.600 0.084 0.000 2.365 338 c HA 0.449 5.019 4.570 0.000 0.000 0.351 338 c C 1.854 175.991 174.090 0.079 0.000 1.240 338 c CA -0.575 55.814 56.329 0.101 0.000 2.062 338 c CB 0.807 43.425 42.510 0.180 0.000 2.387 338 c HN 0.592 nan 8.230 nan 0.000 0.537 339 T N -2.429 112.166 114.554 0.068 0.000 3.004 339 T HA 0.213 4.563 4.350 0.000 0.000 0.266 339 T C 0.243 174.978 174.700 0.059 0.000 0.986 339 T CA 0.051 62.182 62.100 0.052 0.000 0.902 339 T CB 0.175 69.063 68.868 0.033 0.000 1.118 339 T HN 0.643 nan 8.240 nan 0.000 0.522 340 S N 1.490 117.236 115.700 0.077 0.000 2.536 340 S HA 0.463 4.933 4.470 0.000 0.000 0.246 340 S C -1.085 173.573 174.600 0.097 0.000 1.077 340 S CA -0.818 57.427 58.200 0.075 0.000 1.091 340 S CB 0.099 63.337 63.200 0.063 0.000 1.148 340 S HN 0.289 nan 8.310 nan 0.000 0.447 341 I N 3.821 124.457 120.570 0.110 0.000 2.436 341 I HA 0.168 4.338 4.170 0.000 0.000 0.289 341 I C 1.092 177.261 176.117 0.086 0.000 1.083 341 I CA 0.156 61.539 61.300 0.138 0.000 1.372 341 I CB 0.887 38.972 38.000 0.141 0.000 1.408 341 I HN 0.629 nan 8.210 nan 0.000 0.516 342 S N 5.404 121.158 115.700 0.090 0.000 3.812 342 S HA 0.594 5.064 4.470 0.000 0.000 0.195 342 S C 0.419 175.044 174.600 0.043 0.000 1.460 342 S CA 0.162 58.395 58.200 0.055 0.000 1.052 342 S CB -0.705 62.528 63.200 0.055 0.000 1.385 342 S HN 1.024 nan 8.310 nan 0.000 0.490 343 G N 1.756 110.564 108.800 0.014 0.000 2.566 343 G HA2 0.200 4.161 3.960 0.000 0.000 0.138 343 G HA3 0.200 4.161 3.960 0.000 0.000 0.138 343 G C -2.101 172.719 174.900 -0.132 0.000 1.133 343 G CA -0.601 44.482 45.100 -0.028 0.000 1.037 343 G HN 0.432 nan 8.290 nan 0.000 0.491 344 D N 0.140 120.422 120.400 -0.196 0.000 2.374 344 D HA 0.675 5.315 4.640 0.000 0.000 0.239 344 D C -0.587 175.601 176.300 -0.186 0.000 0.991 344 D CA -0.255 53.474 54.000 -0.453 0.000 0.960 344 D CB 2.284 42.499 40.800 -0.974 0.000 1.284 344 D HN 0.297 nan 8.370 nan 0.000 0.512 345 L N 1.285 122.377 121.223 -0.218 0.000 2.349 345 L HA 0.305 4.645 4.340 0.000 0.000 0.278 345 L C -0.493 176.378 176.870 0.002 0.000 0.996 345 L CA -0.567 54.238 54.840 -0.058 0.000 0.825 345 L CB 1.402 43.424 42.059 -0.062 0.000 1.243 345 L HN 0.236 nan 8.230 nan 0.000 0.412 346 H N 5.623 124.657 119.070 -0.061 0.000 2.638 346 H HA 0.410 4.966 4.556 0.000 0.000 0.303 346 H C -0.534 174.791 175.328 -0.005 0.000 1.034 346 H CA -0.549 55.510 56.048 0.017 0.000 1.225 346 H CB 1.901 31.681 29.762 0.030 0.000 1.394 346 H HN 0.424 nan 8.280 nan 0.000 0.477 347 I N 5.519 126.167 120.570 0.129 0.000 2.347 347 I HA 0.089 4.259 4.170 0.000 0.000 0.283 347 I C -0.704 175.487 176.117 0.124 0.000 1.058 347 I CA -0.443 60.927 61.300 0.117 0.000 1.202 347 I CB 0.465 38.647 38.000 0.302 0.000 1.386 347 I HN 0.196 nan 8.210 nan 0.000 0.475 348 L N 8.606 129.852 121.223 0.038 0.000 2.313 348 L HA 0.530 4.870 4.340 0.000 0.000 0.268 348 L C -1.522 175.390 176.870 0.071 0.000 1.010 348 L CA -1.843 53.043 54.840 0.077 0.000 0.814 348 L CB 0.811 42.914 42.059 0.074 0.000 1.304 348 L HN 0.119 nan 8.230 nan 0.000 0.441 349 P HA -0.177 nan 4.420 nan 0.000 0.214 349 P C 1.834 179.212 177.300 0.130 0.000 1.163 349 P CA 1.056 64.276 63.100 0.200 0.000 0.889 349 P CB 0.221 32.005 31.700 0.141 0.000 0.790 350 V N -0.120 119.833 119.914 0.065 0.000 2.546 350 V HA -0.302 3.818 4.120 0.000 0.000 0.254 350 V C 2.067 178.157 176.094 -0.006 0.000 1.076 350 V CA 2.377 64.701 62.300 0.039 0.000 1.087 350 V CB -1.422 30.420 31.823 0.032 0.000 0.674 350 V HN 0.084 nan 8.190 nan 0.000 0.470 351 A N -1.257 121.502 122.820 -0.101 0.000 2.015 351 A HA -0.069 4.251 4.320 0.000 0.000 0.219 351 A C 1.939 179.365 177.584 -0.264 0.000 1.163 351 A CA 1.859 53.752 52.037 -0.240 0.000 0.646 351 A CB -0.614 18.133 19.000 -0.422 0.000 0.806 351 A HN 0.634 nan 8.150 nan 0.000 0.448 352 F N -0.255 119.698 119.950 0.005 0.000 2.262 352 F HA 0.026 4.553 4.527 0.000 0.000 0.292 352 F C 2.457 178.255 175.800 -0.004 0.000 1.081 352 F CA 0.996 58.988 58.000 -0.013 0.000 1.355 352 F CB 0.042 39.029 39.000 -0.022 0.000 1.069 352 F HN 0.211 nan 8.300 nan 0.000 0.506 353 R N 1.093 121.703 120.500 0.184 0.000 2.310 353 R HA 0.355 4.695 4.340 0.000 0.000 0.202 353 R C 0.540 176.883 176.300 0.072 0.000 0.933 353 R CA 0.683 56.848 56.100 0.109 0.000 1.054 353 R CB -0.397 29.957 30.300 0.090 0.000 0.985 353 R HN 0.152 nan 8.270 nan 0.000 0.489 354 G N 1.290 110.125 108.800 0.059 0.000 2.764 354 G HA2 -0.232 3.728 3.960 0.000 0.000 0.686 354 G HA3 -0.232 3.728 3.960 0.000 0.000 0.686 354 G C -1.607 173.316 174.900 0.039 0.000 1.258 354 G CA -0.138 44.986 45.100 0.040 0.000 0.846 354 G HN 0.384 nan 8.290 nan 0.000 0.596 355 D N 0.401 120.823 120.400 0.037 0.000 2.303 355 D HA 0.599 5.239 4.640 0.000 0.000 0.236 355 D C 1.613 177.929 176.300 0.027 0.000 1.068 355 D CA 0.245 54.273 54.000 0.047 0.000 0.830 355 D CB 1.339 42.178 40.800 0.065 0.000 1.109 355 D HN 0.640 nan 8.370 nan 0.000 0.496 356 S N 3.109 118.820 115.700 0.019 0.000 2.436 356 S HA -0.106 4.364 4.470 0.000 0.000 0.228 356 S C 1.886 176.385 174.600 -0.168 0.000 1.014 356 S CA -0.005 58.163 58.200 -0.055 0.000 0.950 356 S CB -0.412 62.780 63.200 -0.014 0.000 0.784 356 S HN 0.500 nan 8.310 nan 0.000 0.504 357 F N 3.978 123.822 119.950 -0.176 0.000 2.146 357 F HA -0.024 4.503 4.527 0.000 0.000 0.298 357 F C 2.472 178.156 175.800 -0.193 0.000 1.096 357 F CA 1.820 59.715 58.000 -0.175 0.000 1.275 357 F CB -0.581 38.376 39.000 -0.072 0.000 1.008 357 F HN 0.412 nan 8.300 nan 0.000 0.480 358 T N -3.700 110.831 114.554 -0.037 0.000 3.122 358 T HA 0.117 4.467 4.350 0.000 0.000 0.250 358 T C -0.022 174.701 174.700 0.039 0.000 1.067 358 T CA 0.336 62.423 62.100 -0.021 0.000 0.966 358 T CB -1.106 67.815 68.868 0.088 0.000 1.002 358 T HN 0.494 nan 8.240 nan 0.000 0.542 359 H N 1.724 120.791 119.070 -0.006 0.000 2.677 359 H HA -0.131 4.426 4.556 0.000 0.000 0.321 359 H C -0.290 175.047 175.328 0.015 0.000 1.171 359 H CA 0.902 56.948 56.048 -0.003 0.000 1.139 359 H CB -2.186 27.560 29.762 -0.027 0.000 1.515 359 H HN 0.694 nan 8.280 nan 0.000 0.423 360 T N -1.099 113.510 114.554 0.092 0.000 2.840 360 T HA 0.534 4.884 4.350 0.000 0.000 0.287 360 T C -2.679 172.054 174.700 0.054 0.000 0.991 360 T CA -2.161 59.983 62.100 0.073 0.000 0.964 360 T CB 2.837 71.740 68.868 0.059 0.000 0.954 360 T HN -0.101 nan 8.240 nan 0.000 0.438 361 P HA 0.296 nan 4.420 nan 0.000 0.270 361 P C -2.547 174.773 177.300 0.034 0.000 1.223 361 P CA -1.187 61.938 63.100 0.042 0.000 0.785 361 P CB -0.580 31.143 31.700 0.039 0.000 0.923 362 P HA 0.025 nan 4.420 nan 0.000 0.266 362 P C -0.531 176.796 177.300 0.044 0.000 1.195 362 P CA -0.023 63.106 63.100 0.049 0.000 0.768 362 P CB 0.217 31.954 31.700 0.062 0.000 0.838 363 L N 3.291 124.539 121.223 0.042 0.000 2.360 363 L HA 0.205 4.545 4.340 0.000 0.000 0.276 363 L C 0.098 177.029 176.870 0.101 0.000 1.121 363 L CA -0.081 54.775 54.840 0.028 0.000 0.845 363 L CB -0.215 41.784 42.059 -0.099 0.000 1.143 363 L HN 0.218 nan 8.230 nan 0.000 0.452 364 D N 6.962 127.394 120.400 0.053 0.000 2.346 364 D HA 0.168 4.808 4.640 0.000 0.000 0.260 364 D C -1.770 174.556 176.300 0.043 0.000 1.252 364 D CA -1.889 52.136 54.000 0.041 0.000 0.895 364 D CB 1.414 42.223 40.800 0.016 0.000 1.097 364 D HN 0.402 nan 8.370 nan 0.000 0.489 365 P HA -0.190 nan 4.420 nan 0.000 0.217 365 P C 1.061 178.344 177.300 -0.028 0.000 1.148 365 P CA 0.985 64.072 63.100 -0.023 0.000 0.828 365 P CB 0.242 31.864 31.700 -0.131 0.000 0.783 366 Q N 0.142 119.928 119.800 -0.022 0.000 2.364 366 Q HA -0.155 4.185 4.340 0.000 0.000 0.209 366 Q C 1.534 177.532 176.000 -0.002 0.000 0.977 366 Q CA 1.407 57.201 55.803 -0.015 0.000 0.885 366 Q CB -0.706 28.021 28.738 -0.019 0.000 0.941 366 Q HN 0.336 nan 8.270 nan 0.000 0.464 367 E N -0.942 119.254 120.200 -0.007 0.000 2.474 367 E HA 0.061 4.411 4.350 0.000 0.000 0.195 367 E C 1.068 177.643 176.600 -0.041 0.000 1.039 367 E CA -0.147 56.245 56.400 -0.015 0.000 0.881 367 E CB 0.242 29.936 29.700 -0.011 0.000 0.970 367 E HN 0.381 nan 8.360 nan 0.000 0.486 368 L N 0.900 122.087 121.223 -0.059 0.000 2.465 368 L HA -0.113 4.227 4.340 0.000 0.000 0.224 368 L C 1.125 177.903 176.870 -0.153 0.000 1.145 368 L CA 0.537 55.287 54.840 -0.149 0.000 0.834 368 L CB -0.066 41.831 42.059 -0.269 0.000 0.944 368 L HN 0.007 nan 8.230 nan 0.000 0.451 369 D N 0.257 120.631 120.400 -0.042 0.000 2.350 369 D HA -0.128 4.512 4.640 0.000 0.000 0.216 369 D C 2.144 178.412 176.300 -0.052 0.000 0.968 369 D CA 0.825 54.816 54.000 -0.015 0.000 0.894 369 D CB -0.004 40.819 40.800 0.039 0.000 0.909 369 D HN 0.314 nan 8.370 nan 0.000 0.520 370 I N 0.263 120.797 120.570 -0.059 0.000 2.264 370 I HA -0.254 3.916 4.170 0.000 0.000 0.248 370 I C 1.876 177.958 176.117 -0.058 0.000 1.111 370 I CA 0.895 62.173 61.300 -0.036 0.000 1.382 370 I CB -0.169 37.825 38.000 -0.010 0.000 1.060 370 I HN 0.055 nan 8.210 nan 0.000 0.418 371 L N 0.331 121.466 121.223 -0.147 0.000 2.551 371 L HA -0.101 4.239 4.340 0.000 0.000 0.228 371 L C 2.041 178.808 176.870 -0.171 0.000 1.153 371 L CA 0.615 55.334 54.840 -0.201 0.000 0.851 371 L CB -0.612 41.172 42.059 -0.457 0.000 0.959 371 L HN 0.178 nan 8.230 nan 0.000 0.451 372 K N 0.157 120.479 120.400 -0.130 0.000 2.519 372 K HA -0.106 4.214 4.320 0.000 0.000 0.196 372 K C 1.837 178.415 176.600 -0.036 0.000 1.041 372 K CA 1.553 57.792 56.287 -0.080 0.000 0.954 372 K CB -0.150 32.326 32.500 -0.041 0.000 0.774 372 K HN 0.494 nan 8.250 nan 0.000 0.480 373 T N -2.562 111.979 114.554 -0.023 0.000 3.037 373 T HA 0.087 4.438 4.350 0.000 0.000 0.251 373 T C 0.849 175.561 174.700 0.020 0.000 1.079 373 T CA -0.349 61.753 62.100 0.003 0.000 1.067 373 T CB -0.017 68.861 68.868 0.015 0.000 0.948 373 T HN -0.214 nan 8.240 nan 0.000 0.496 374 V N 2.568 122.497 119.914 0.024 0.000 2.599 374 V HA 0.197 4.317 4.120 0.000 0.000 0.300 374 V C 1.290 177.418 176.094 0.058 0.000 1.034 374 V CA 0.300 62.637 62.300 0.061 0.000 1.115 374 V CB 0.871 32.752 31.823 0.097 0.000 0.934 374 V HN 0.294 nan 8.190 nan 0.000 0.485 375 K N 2.648 123.079 120.400 0.053 0.000 2.344 375 K HA 0.197 4.517 4.320 0.000 0.000 0.200 375 K C 0.569 177.190 176.600 0.035 0.000 1.132 375 K CA 0.523 56.831 56.287 0.034 0.000 0.935 375 K CB 0.521 33.034 32.500 0.022 0.000 1.089 375 K HN 0.927 nan 8.250 nan 0.000 0.496 376 E N -0.276 119.949 120.200 0.042 0.000 2.367 376 E HA 0.419 4.769 4.350 0.000 0.000 0.273 376 E C -1.082 175.541 176.600 0.037 0.000 0.903 376 E CA -0.775 55.645 56.400 0.033 0.000 0.764 376 E CB 1.935 31.652 29.700 0.028 0.000 1.252 376 E HN -0.054 nan 8.360 nan 0.000 0.446 377 I N 2.836 123.417 120.570 0.019 0.000 2.448 377 I HA 0.122 4.292 4.170 0.000 0.000 0.281 377 I C 1.182 177.292 176.117 -0.011 0.000 1.027 377 I CA -0.663 60.639 61.300 0.004 0.000 1.111 377 I CB 1.977 39.963 38.000 -0.023 0.000 1.236 377 I HN 0.882 nan 8.210 nan 0.000 0.452 378 T N 1.424 115.971 114.554 -0.012 0.000 2.881 378 T HA -0.035 4.315 4.350 0.000 0.000 0.270 378 T C 1.079 175.748 174.700 -0.052 0.000 1.068 378 T CA 1.104 63.186 62.100 -0.031 0.000 1.131 378 T CB 0.021 68.874 68.868 -0.025 0.000 0.871 378 T HN 0.661 nan 8.240 nan 0.000 0.479 379 G N 1.099 109.860 108.800 -0.064 0.000 3.271 379 G HA2 0.554 4.514 3.960 0.000 0.000 0.174 379 G HA3 0.554 4.514 3.960 0.000 0.000 0.174 379 G C -0.451 174.436 174.900 -0.021 0.000 1.385 379 G CA -0.625 44.429 45.100 -0.076 0.000 0.979 379 G HN 0.525 nan 8.290 nan 0.000 0.610 380 F N -1.345 118.582 119.950 -0.037 0.000 2.541 380 F HA 0.817 5.344 4.527 0.000 0.000 0.331 380 F C -1.032 174.697 175.800 -0.118 0.000 1.057 380 F CA -2.099 55.858 58.000 -0.072 0.000 0.975 380 F CB 1.690 40.644 39.000 -0.076 0.000 1.246 380 F HN 0.328 nan 8.300 nan 0.000 0.484 381 L N 3.788 125.134 121.223 0.206 0.000 2.316 381 L HA 0.621 4.961 4.340 0.000 0.000 0.280 381 L C -1.713 175.187 176.870 0.051 0.000 1.006 381 L CA -0.807 54.031 54.840 -0.004 0.000 0.836 381 L CB 1.097 43.019 42.059 -0.229 0.000 1.221 381 L HN 0.811 nan 8.230 nan 0.000 0.418 382 L N 6.855 128.106 121.223 0.046 0.000 2.305 382 L HA 0.658 4.998 4.340 0.000 0.000 0.284 382 L C -1.145 175.698 176.870 -0.046 0.000 1.013 382 L CA -0.013 54.797 54.840 -0.050 0.000 0.819 382 L CB 1.179 43.168 42.059 -0.118 0.000 1.227 382 L HN 0.568 nan 8.230 nan 0.000 0.417 383 I N 5.607 126.154 120.570 -0.039 0.000 2.521 383 I HA 0.262 4.432 4.170 0.000 0.000 0.277 383 I C 0.282 176.440 176.117 0.068 0.000 1.054 383 I CA -0.135 61.196 61.300 0.052 0.000 1.117 383 I CB 1.507 39.518 38.000 0.018 0.000 1.217 383 I HN 0.703 nan 8.210 nan 0.000 0.469 384 Q N 3.691 123.552 119.800 0.101 0.000 2.360 384 Q HA 0.402 4.742 4.340 0.000 0.000 0.202 384 Q C 0.458 176.557 176.000 0.164 0.000 0.915 384 Q CA 0.068 55.927 55.803 0.093 0.000 0.943 384 Q CB 1.099 29.879 28.738 0.069 0.000 1.064 384 Q HN 0.749 nan 8.270 nan 0.000 0.511 385 A N 0.297 123.283 122.820 0.276 0.000 2.609 385 A HA 0.692 5.012 4.320 0.000 0.000 0.291 385 A C -2.203 175.763 177.584 0.637 0.000 1.096 385 A CA -0.551 51.717 52.037 0.386 0.000 0.684 385 A CB 1.680 20.934 19.000 0.423 0.000 1.282 385 A HN 0.262 nan 8.150 nan 0.000 0.412 386 W N 0.937 122.341 121.300 0.174 0.000 3.499 386 W HA 0.395 5.055 4.660 0.000 0.000 0.288 386 W C -3.229 173.096 176.519 -0.324 0.000 1.258 386 W CA -1.371 55.992 57.345 0.031 0.000 1.203 386 W CB 1.073 30.593 29.460 0.101 0.000 1.325 386 W HN 0.556 nan 8.180 nan 0.000 0.564 387 P HA -0.105 nan 4.420 nan 0.000 0.260 387 P C 0.952 178.111 177.300 -0.236 0.000 1.172 387 P CA 0.913 63.590 63.100 -0.706 0.000 0.760 387 P CB 0.554 31.843 31.700 -0.685 0.000 0.773 388 E N 3.259 123.350 120.200 -0.182 0.000 2.072 388 E HA -0.208 4.142 4.350 0.000 0.000 0.191 388 E C 0.723 177.308 176.600 -0.026 0.000 0.985 388 E CA 1.460 57.828 56.400 -0.052 0.000 0.801 388 E CB -0.875 28.792 29.700 -0.055 0.000 0.750 388 E HN 0.289 nan 8.360 nan 0.000 0.452 389 N N 0.584 119.242 118.700 -0.069 0.000 2.364 389 N HA -0.057 4.683 4.740 0.000 0.000 0.183 389 N C 0.339 175.830 175.510 -0.031 0.000 1.022 389 N CA 0.633 53.652 53.050 -0.052 0.000 0.883 389 N CB -0.090 38.351 38.487 -0.076 0.000 0.965 389 N HN 0.025 nan 8.380 nan 0.000 0.438 390 R N 0.025 120.516 120.500 -0.015 0.000 2.308 390 R HA 0.096 4.437 4.340 0.000 0.000 0.305 390 R C 1.023 177.432 176.300 0.181 0.000 1.053 390 R CA 0.088 56.225 56.100 0.062 0.000 0.957 390 R CB 0.849 31.219 30.300 0.118 0.000 1.022 390 R HN 0.018 nan 8.270 nan 0.000 0.461 391 T N -0.140 114.498 114.554 0.140 0.000 3.044 391 T HA 0.045 4.395 4.350 0.000 0.000 0.250 391 T C -0.230 174.563 174.700 0.156 0.000 1.081 391 T CA 0.383 62.564 62.100 0.134 0.000 1.040 391 T CB 0.154 69.072 68.868 0.084 0.000 0.962 391 T HN 0.419 nan 8.240 nan 0.000 0.506 392 D N -0.044 120.490 120.400 0.223 0.000 2.601 392 D HA 0.370 5.010 4.640 0.000 0.000 0.230 392 D C -0.460 176.011 176.300 0.284 0.000 1.106 392 D CA -0.650 53.462 54.000 0.187 0.000 0.873 392 D CB 1.707 42.600 40.800 0.155 0.000 1.515 392 D HN 0.058 nan 8.370 nan 0.000 0.468 393 L N 3.995 125.207 121.223 -0.019 0.000 2.650 393 L HA 0.072 4.412 4.340 0.000 0.000 0.239 393 L C 1.732 178.650 176.870 0.079 0.000 1.412 393 L CA -0.273 54.404 54.840 -0.271 0.000 1.219 393 L CB -0.568 41.230 42.059 -0.435 0.000 1.534 393 L HN 0.470 nan 8.230 nan 0.000 0.430 394 H N 0.487 119.714 119.070 0.261 0.000 2.319 394 H HA -0.214 4.342 4.556 0.000 0.000 0.297 394 H C 1.976 177.365 175.328 0.102 0.000 1.097 394 H CA 1.391 57.537 56.048 0.164 0.000 1.285 394 H CB -0.529 29.328 29.762 0.159 0.000 1.368 394 H HN 0.451 nan 8.280 nan 0.000 0.495 395 A N 1.309 123.838 122.820 -0.484 0.000 1.958 395 A HA -0.180 4.140 4.320 0.000 0.000 0.221 395 A C 1.519 178.797 177.584 -0.510 0.000 1.178 395 A CA 1.652 53.377 52.037 -0.520 0.000 0.642 395 A CB -1.291 17.309 19.000 -0.667 0.000 0.816 395 A HN 0.387 nan 8.150 nan 0.000 0.453 396 F N -0.218 119.690 119.950 -0.069 0.000 2.916 396 F HA 0.235 4.762 4.527 0.000 0.000 0.294 396 F C 1.513 177.241 175.800 -0.120 0.000 1.189 396 F CA 0.165 58.105 58.000 -0.099 0.000 1.369 396 F CB -0.015 38.900 39.000 -0.142 0.000 0.961 396 F HN 0.406 nan 8.300 nan 0.000 0.508 397 E N 0.853 121.058 120.200 0.010 0.000 2.204 397 E HA -0.172 4.178 4.350 0.000 0.000 0.194 397 E C 0.839 177.413 176.600 -0.043 0.000 0.989 397 E CA 1.160 57.550 56.400 -0.018 0.000 0.824 397 E CB 0.142 29.845 29.700 0.005 0.000 0.756 397 E HN 0.320 nan 8.360 nan 0.000 0.477 398 N N 0.519 119.206 118.700 -0.022 0.000 2.234 398 N HA 0.111 4.852 4.740 0.000 0.000 0.227 398 N C -0.353 175.148 175.510 -0.015 0.000 1.151 398 N CA -0.080 52.954 53.050 -0.026 0.000 0.865 398 N CB 0.563 39.041 38.487 -0.016 0.000 1.066 398 N HN 0.167 nan 8.380 nan 0.000 0.515 399 L N 1.244 122.466 121.223 -0.002 0.000 2.433 399 L HA 0.057 4.397 4.340 0.000 0.000 0.275 399 L C 0.962 177.799 176.870 -0.053 0.000 1.128 399 L CA 0.347 55.191 54.840 0.006 0.000 0.875 399 L CB 0.698 42.780 42.059 0.039 0.000 1.171 399 L HN 0.134 nan 8.230 nan 0.000 0.463 400 E N 4.838 125.022 120.200 -0.027 0.000 2.206 400 E HA 0.232 4.582 4.350 0.000 0.000 0.195 400 E C -0.242 176.351 176.600 -0.011 0.000 0.935 400 E CA 0.412 56.794 56.400 -0.029 0.000 0.875 400 E CB 0.717 30.410 29.700 -0.012 0.000 0.841 400 E HN 0.533 nan 8.360 nan 0.000 0.477 401 I N 1.464 122.036 120.570 0.003 0.000 2.619 401 I HA 0.347 4.517 4.170 0.000 0.000 0.292 401 I C -0.918 175.211 176.117 0.019 0.000 1.100 401 I CA -0.708 60.604 61.300 0.021 0.000 1.043 401 I CB 2.533 40.549 38.000 0.026 0.000 1.239 401 I HN -0.086 nan 8.210 nan 0.000 0.420 402 I N 5.683 126.275 120.570 0.035 0.000 2.420 402 I HA 0.350 4.520 4.170 0.000 0.000 0.282 402 I C 1.134 177.274 176.117 0.038 0.000 1.019 402 I CA -0.658 60.660 61.300 0.030 0.000 1.130 402 I CB 1.399 39.421 38.000 0.037 0.000 1.262 402 I HN 0.581 nan 8.210 nan 0.000 0.454 403 R N 3.936 124.443 120.500 0.013 0.000 2.115 403 R HA -0.013 4.327 4.340 0.000 0.000 0.230 403 R C 1.421 177.713 176.300 -0.014 0.000 1.111 403 R CA 0.963 57.059 56.100 -0.007 0.000 0.976 403 R CB -0.217 30.058 30.300 -0.042 0.000 0.870 403 R HN 0.985 nan 8.270 nan 0.000 0.445 404 G N 1.751 110.552 108.800 0.003 0.000 2.273 404 G HA2 -0.333 3.627 3.960 0.000 0.000 0.280 404 G HA3 -0.333 3.627 3.960 0.000 0.000 0.280 404 G C 0.765 175.657 174.900 -0.014 0.000 1.047 404 G CA 0.758 45.874 45.100 0.027 0.000 0.869 404 G HN 0.354 nan 8.290 nan 0.000 0.502 405 R N -0.369 120.076 120.500 -0.091 0.000 2.193 405 R HA 0.004 4.344 4.340 0.000 0.000 0.229 405 R C 1.294 177.578 176.300 -0.028 0.000 1.110 405 R CA 1.591 57.564 56.100 -0.212 0.000 0.988 405 R CB -0.123 29.956 30.300 -0.370 0.000 0.871 405 R HN 0.700 nan 8.270 nan 0.000 0.458 406 T N -0.965 113.617 114.554 0.048 0.000 2.893 406 T HA 0.547 4.897 4.350 0.000 0.000 0.293 406 T C -0.851 174.030 174.700 0.302 0.000 1.027 406 T CA -1.124 61.067 62.100 0.152 0.000 0.988 406 T CB 2.726 71.680 68.868 0.143 0.000 1.043 406 T HN -0.088 nan 8.240 nan 0.000 0.461 407 K N 1.391 121.941 120.400 0.250 0.000 2.385 407 K HA 0.491 4.812 4.320 0.000 0.000 0.248 407 K C -0.639 175.859 176.600 -0.169 0.000 0.955 407 K CA -1.007 55.341 56.287 0.102 0.000 0.816 407 K CB 2.423 34.898 32.500 -0.043 0.000 1.250 407 K HN 0.663 nan 8.250 nan 0.000 0.434 408 Q N 2.065 121.359 119.800 -0.843 0.000 2.327 408 Q HA -0.005 4.335 4.340 0.000 0.000 0.254 408 Q C -0.375 175.363 176.000 -0.436 0.000 0.952 408 Q CA 0.245 55.516 55.803 -0.885 0.000 0.884 408 Q CB 0.283 28.214 28.738 -1.345 0.000 1.224 408 Q HN 0.725 nan 8.270 nan 0.000 0.422 409 H N 1.836 120.850 119.070 -0.094 0.000 3.329 409 H HA -0.252 4.304 4.556 0.000 0.000 0.245 409 H C 0.898 176.169 175.328 -0.094 0.000 1.099 409 H CA 1.367 57.380 56.048 -0.058 0.000 1.186 409 H CB -1.742 28.019 29.762 -0.002 0.000 1.243 409 H HN 1.043 nan 8.280 nan 0.000 0.319 410 G N 0.091 108.869 108.800 -0.038 0.000 2.143 410 G HA2 -0.382 3.578 3.960 0.000 0.000 0.249 410 G HA3 -0.382 3.578 3.960 0.000 0.000 0.249 410 G C 0.704 175.523 174.900 -0.135 0.000 0.981 410 G CA 1.291 46.359 45.100 -0.053 0.000 0.665 410 G HN 0.660 nan 8.290 nan 0.000 0.528 411 Q N -1.443 118.211 119.800 -0.242 0.000 2.534 411 Q HA 0.428 4.768 4.340 0.000 0.000 0.252 411 Q C 0.041 175.678 176.000 -0.605 0.000 0.850 411 Q CA -0.174 55.322 55.803 -0.511 0.000 0.974 411 Q CB 0.619 28.855 28.738 -0.836 0.000 1.205 411 Q HN 0.411 nan 8.270 nan 0.000 0.593 412 F N 1.465 121.307 119.950 -0.181 0.000 2.415 412 F HA 0.269 4.796 4.527 0.000 0.000 0.348 412 F C 1.097 176.764 175.800 -0.222 0.000 1.119 412 F CA -0.429 57.447 58.000 -0.207 0.000 1.069 412 F CB 1.882 40.748 39.000 -0.222 0.000 1.124 412 F HN 0.070 nan 8.300 nan 0.000 0.472 413 S N 1.896 117.620 115.700 0.041 0.000 2.492 413 S HA 0.260 4.730 4.470 0.000 0.000 0.218 413 S C -0.122 174.535 174.600 0.095 0.000 1.016 413 S CA -0.054 58.201 58.200 0.091 0.000 0.916 413 S CB 0.273 63.513 63.200 0.067 0.000 0.791 413 S HN 0.432 nan 8.310 nan 0.000 0.513 414 L N 1.433 122.685 121.223 0.048 0.000 2.406 414 L HA 0.805 5.145 4.340 0.000 0.000 0.272 414 L C -1.309 175.525 176.870 -0.061 0.000 0.980 414 L CA -0.810 54.029 54.840 -0.001 0.000 0.831 414 L CB 1.553 43.623 42.059 0.018 0.000 1.253 414 L HN 0.167 nan 8.230 nan 0.000 0.406 415 A N 5.175 127.929 122.820 -0.110 0.000 2.522 415 A HA 0.700 5.020 4.320 0.000 0.000 0.285 415 A C -1.421 176.079 177.584 -0.140 0.000 1.198 415 A CA -0.432 51.500 52.037 -0.175 0.000 0.742 415 A CB 1.065 19.910 19.000 -0.258 0.000 1.176 415 A HN 0.434 nan 8.150 nan 0.000 0.444 416 V N 4.008 123.851 119.914 -0.117 0.000 2.257 416 V HA 0.496 4.616 4.120 0.000 0.000 0.269 416 V C 0.097 176.150 176.094 -0.069 0.000 1.040 416 V CA -0.390 61.858 62.300 -0.087 0.000 0.813 416 V CB 0.526 32.308 31.823 -0.068 0.000 1.065 416 V HN 0.946 nan 8.190 nan 0.000 0.457 417 V N 0.982 120.860 119.914 -0.061 0.000 2.914 417 V HA 0.792 4.912 4.120 0.000 0.000 0.314 417 V C 0.454 176.543 176.094 -0.009 0.000 1.084 417 V CA -0.487 61.782 62.300 -0.052 0.000 0.963 417 V CB 1.797 33.565 31.823 -0.091 0.000 1.025 417 V HN 0.741 nan 8.190 nan 0.000 0.432 418 S N 1.389 117.088 115.700 -0.002 0.000 3.561 418 S HA -0.143 4.327 4.470 0.000 0.000 0.318 418 S C 0.068 174.697 174.600 0.049 0.000 1.181 418 S CA 1.172 59.384 58.200 0.020 0.000 0.916 418 S CB -1.994 61.219 63.200 0.022 0.000 0.966 418 S HN 0.736 nan 8.310 nan 0.000 0.550 419 L N 0.289 121.541 121.223 0.049 0.000 2.569 419 L HA 0.489 4.829 4.340 0.000 0.000 0.247 419 L C 1.435 178.348 176.870 0.072 0.000 1.135 419 L CA -0.353 54.535 54.840 0.080 0.000 0.812 419 L CB 0.401 42.499 42.059 0.066 0.000 1.431 419 L HN 0.200 nan 8.230 nan 0.000 0.499 420 N N -0.579 118.177 118.700 0.094 0.000 2.143 420 N HA 0.159 4.899 4.740 0.000 0.000 0.222 420 N C 0.032 175.596 175.510 0.089 0.000 1.264 420 N CA -0.316 52.782 53.050 0.080 0.000 0.897 420 N CB 0.247 38.779 38.487 0.075 0.000 1.092 420 N HN 0.470 nan 8.380 nan 0.000 0.516 421 I N -1.001 119.628 120.570 0.097 0.000 2.993 421 I HA 0.124 4.294 4.170 0.000 0.000 0.286 421 I C 1.244 177.416 176.117 0.091 0.000 1.215 421 I CA 0.216 61.574 61.300 0.097 0.000 1.393 421 I CB 0.789 38.817 38.000 0.047 0.000 1.371 421 I HN 0.040 nan 8.210 nan 0.000 0.602 422 T N -0.293 114.326 114.554 0.108 0.000 3.022 422 T HA 0.182 4.533 4.350 0.000 0.000 0.250 422 T C 0.615 175.438 174.700 0.206 0.000 1.060 422 T CA 0.237 62.416 62.100 0.132 0.000 1.013 422 T CB 0.024 68.968 68.868 0.127 0.000 0.982 422 T HN 0.726 nan 8.240 nan 0.000 0.508 423 S N -0.726 115.074 115.700 0.167 0.000 2.533 423 S HA 0.581 5.051 4.470 0.000 0.000 0.271 423 S C 0.416 175.085 174.600 0.115 0.000 1.143 423 S CA -0.854 57.453 58.200 0.178 0.000 0.891 423 S CB 1.226 64.464 63.200 0.064 0.000 1.105 423 S HN 0.238 nan 8.310 nan 0.000 0.468 424 L N 3.408 124.729 121.223 0.163 0.000 1.961 424 L HA 0.169 4.509 4.340 0.000 0.000 0.210 424 L C 2.109 179.014 176.870 0.058 0.000 1.072 424 L CA 1.401 56.327 54.840 0.143 0.000 0.749 424 L CB -0.753 41.518 42.059 0.354 0.000 0.889 424 L HN 1.116 nan 8.230 nan 0.000 0.432 425 G N -0.545 108.314 108.800 0.097 0.000 2.132 425 G HA2 -0.254 3.706 3.960 0.000 0.000 0.234 425 G HA3 -0.254 3.706 3.960 0.000 0.000 0.234 425 G C 0.316 175.131 174.900 -0.142 0.000 0.989 425 G CA -0.033 45.070 45.100 0.005 0.000 0.676 425 G HN 0.242 nan 8.290 nan 0.000 0.522 426 L N 1.282 122.286 121.223 -0.365 0.000 2.672 426 L HA 0.215 4.555 4.340 0.000 0.000 0.238 426 L C 2.226 178.412 176.870 -1.139 0.000 1.392 426 L CA 0.142 54.542 54.840 -0.733 0.000 1.238 426 L CB -0.280 41.199 42.059 -0.967 0.000 1.548 426 L HN 0.466 nan 8.230 nan 0.000 0.423 427 R N -2.092 118.067 120.500 -0.569 0.000 2.357 427 R HA -0.012 4.328 4.340 0.000 0.000 0.202 427 R C 0.892 177.025 176.300 -0.278 0.000 1.047 427 R CA 0.702 56.584 56.100 -0.363 0.000 1.034 427 R CB -0.149 30.100 30.300 -0.085 0.000 0.875 427 R HN 0.246 nan 8.270 nan 0.000 0.473 428 S N 0.240 115.740 115.700 -0.334 0.000 2.540 428 S HA 0.137 4.607 4.470 0.000 0.000 0.222 428 S C 0.018 174.505 174.600 -0.188 0.000 1.008 428 S CA -0.622 57.468 58.200 -0.184 0.000 0.939 428 S CB 0.326 63.453 63.200 -0.121 0.000 0.865 428 S HN 0.163 nan 8.310 nan 0.000 0.499 429 L N 3.391 124.404 121.223 -0.350 0.000 2.597 429 L HA 0.167 4.507 4.340 0.000 0.000 0.271 429 L C 0.732 177.581 176.870 -0.034 0.000 1.157 429 L CA 0.732 55.433 54.840 -0.233 0.000 0.928 429 L CB 0.168 41.971 42.059 -0.427 0.000 1.216 429 L HN -0.148 nan 8.230 nan 0.000 0.481 430 K N 3.747 124.154 120.400 0.012 0.000 2.402 430 K HA 0.278 4.598 4.320 0.000 0.000 0.204 430 K C -0.324 176.318 176.600 0.069 0.000 1.056 430 K CA 0.113 56.430 56.287 0.051 0.000 1.069 430 K CB 0.718 33.234 32.500 0.027 0.000 0.888 430 K HN 0.704 nan 8.250 nan 0.000 0.546 431 E N 0.583 120.833 120.200 0.084 0.000 2.481 431 E HA 0.245 4.595 4.350 0.000 0.000 0.301 431 E C -1.496 175.188 176.600 0.140 0.000 0.948 431 E CA -0.258 56.207 56.400 0.108 0.000 0.804 431 E CB 1.336 31.083 29.700 0.078 0.000 1.265 431 E HN -0.043 nan 8.360 nan 0.000 0.406 432 I N 4.493 125.193 120.570 0.216 0.000 2.555 432 I HA 0.142 4.312 4.170 0.000 0.000 0.275 432 I C 0.966 177.214 176.117 0.219 0.000 1.082 432 I CA -0.299 61.145 61.300 0.240 0.000 1.167 432 I CB 1.319 39.545 38.000 0.377 0.000 1.312 432 I HN 0.495 nan 8.210 nan 0.000 0.493 433 S N 2.467 118.242 115.700 0.125 0.000 2.392 433 S HA -0.166 4.304 4.470 0.000 0.000 0.232 433 S C 0.523 175.159 174.600 0.060 0.000 1.041 433 S CA 1.509 59.762 58.200 0.087 0.000 1.026 433 S CB -0.169 63.057 63.200 0.043 0.000 0.845 433 S HN 0.746 nan 8.310 nan 0.000 0.465 434 D N -2.382 118.038 120.400 0.033 0.000 2.622 434 D HA 0.510 5.150 4.640 0.000 0.000 0.255 434 D C -0.534 175.731 176.300 -0.058 0.000 1.246 434 D CA 0.845 54.828 54.000 -0.028 0.000 0.795 434 D CB 1.413 42.207 40.800 -0.011 0.000 1.369 434 D HN 0.338 nan 8.370 nan 0.000 0.425 435 G N 1.425 110.144 108.800 -0.136 0.000 2.719 435 G HA2 0.035 3.995 3.960 0.000 0.000 0.686 435 G HA3 0.035 3.995 3.960 0.000 0.000 0.686 435 G C -0.910 173.844 174.900 -0.245 0.000 1.201 435 G CA -0.511 44.492 45.100 -0.162 0.000 0.768 435 G HN 0.496 nan 8.290 nan 0.000 0.629 436 D N -0.861 119.374 120.400 -0.276 0.000 2.358 436 D HA 0.487 5.127 4.640 0.000 0.000 0.244 436 D C 0.534 176.824 176.300 -0.018 0.000 1.163 436 D CA 0.026 53.884 54.000 -0.237 0.000 0.945 436 D CB 1.602 42.238 40.800 -0.273 0.000 1.152 436 D HN 0.469 nan 8.370 nan 0.000 0.451 437 V N 2.095 121.990 119.914 -0.032 0.000 2.378 437 V HA 0.333 4.453 4.120 0.000 0.000 0.288 437 V C -0.003 176.021 176.094 -0.116 0.000 1.016 437 V CA -0.763 61.484 62.300 -0.088 0.000 0.840 437 V CB 1.478 33.102 31.823 -0.332 0.000 0.994 437 V HN 0.391 nan 8.190 nan 0.000 0.431 438 I N 6.675 127.181 120.570 -0.107 0.000 2.362 438 I HA 0.596 4.766 4.170 0.000 0.000 0.289 438 I C -1.050 174.953 176.117 -0.190 0.000 0.994 438 I CA -0.569 60.609 61.300 -0.202 0.000 1.158 438 I CB 1.015 38.739 38.000 -0.460 0.000 1.315 438 I HN 0.578 nan 8.210 nan 0.000 0.451 439 I N 7.132 127.618 120.570 -0.140 0.000 2.521 439 I HA 0.369 4.539 4.170 0.000 0.000 0.277 439 I C -0.652 175.435 176.117 -0.050 0.000 1.054 439 I CA 0.031 61.287 61.300 -0.073 0.000 1.117 439 I CB 1.315 39.314 38.000 -0.001 0.000 1.217 439 I HN 0.474 nan 8.210 nan 0.000 0.469 440 S N 2.175 117.837 115.700 -0.063 0.000 2.671 440 S HA 0.731 5.201 4.470 0.000 0.000 0.277 440 S C 0.646 175.225 174.600 -0.035 0.000 1.165 440 S CA -0.069 58.103 58.200 -0.047 0.000 0.822 440 S CB 1.904 65.064 63.200 -0.066 0.000 1.150 440 S HN 0.948 nan 8.310 nan 0.000 0.479 441 G N 1.722 110.507 108.800 -0.024 0.000 2.187 441 G HA2 -0.226 3.734 3.960 0.000 0.000 0.261 441 G HA3 -0.226 3.734 3.960 0.000 0.000 0.261 441 G C -0.453 174.447 174.900 0.000 0.000 1.000 441 G CA -0.086 45.005 45.100 -0.014 0.000 0.718 441 G HN 0.566 nan 8.290 nan 0.000 0.519 442 N N 0.927 119.630 118.700 0.005 0.000 2.767 442 N HA 0.241 4.981 4.740 0.000 0.000 0.238 442 N C 1.496 177.019 175.510 0.021 0.000 1.083 442 N CA 0.064 53.126 53.050 0.019 0.000 0.964 442 N CB 0.876 39.379 38.487 0.026 0.000 1.252 442 N HN 0.431 nan 8.380 nan 0.000 0.512 443 K N 1.498 121.909 120.400 0.019 0.000 2.007 443 K HA -0.250 4.070 4.320 0.000 0.000 0.231 443 K C 0.363 176.972 176.600 0.015 0.000 1.044 443 K CA 2.035 58.331 56.287 0.015 0.000 0.996 443 K CB -0.201 32.309 32.500 0.018 0.000 0.738 443 K HN 0.546 nan 8.250 nan 0.000 0.447 444 N N 0.796 119.511 118.700 0.024 0.000 3.170 444 N HA 0.223 4.963 4.740 0.000 0.000 0.305 444 N C -1.216 174.317 175.510 0.039 0.000 1.499 444 N CA -0.293 52.771 53.050 0.024 0.000 1.110 444 N CB 0.560 39.063 38.487 0.027 0.000 1.390 444 N HN 0.026 nan 8.380 nan 0.000 0.508 445 L N 0.321 121.565 121.223 0.035 0.000 2.325 445 L HA 0.616 4.956 4.340 0.000 0.000 0.281 445 L C -0.849 176.040 176.870 0.032 0.000 1.004 445 L CA -0.585 54.293 54.840 0.063 0.000 0.823 445 L CB 0.864 42.966 42.059 0.071 0.000 1.236 445 L HN 0.376 nan 8.230 nan 0.000 0.415 446 c N 2.550 121.167 118.600 0.029 0.000 2.547 446 c HA 0.524 5.094 4.570 0.000 0.000 0.411 446 c C 0.471 174.544 174.090 -0.029 0.000 1.424 446 c CA -0.208 56.003 56.329 -0.197 0.000 1.848 446 c CB 0.872 42.994 42.510 -0.648 0.000 2.062 446 c HN 0.975 nan 8.230 nan 0.000 0.504 447 Y N -1.687 118.608 120.300 -0.010 0.000 4.782 447 Y HA -0.358 4.192 4.550 0.000 0.000 0.273 447 Y C 1.864 177.721 175.900 -0.072 0.000 0.984 447 Y CA 0.989 59.059 58.100 -0.050 0.000 1.897 447 Y CB -2.122 36.315 38.460 -0.038 0.000 1.230 447 Y HN 0.730 nan 8.280 nan 0.000 0.470 448 A N 1.253 124.146 122.820 0.120 0.000 1.933 448 A HA -0.224 4.097 4.320 0.000 0.000 0.218 448 A C 1.759 179.428 177.584 0.140 0.000 1.175 448 A CA 1.960 54.087 52.037 0.150 0.000 0.628 448 A CB -0.657 18.441 19.000 0.164 0.000 0.814 448 A HN 0.693 nan 8.150 nan 0.000 0.444 449 N N -0.323 118.420 118.700 0.072 0.000 2.362 449 N HA -0.014 4.726 4.740 0.000 0.000 0.204 449 N C 0.717 176.220 175.510 -0.012 0.000 1.166 449 N CA 1.184 54.278 53.050 0.073 0.000 0.831 449 N CB -0.573 37.939 38.487 0.042 0.000 1.008 449 N HN 0.443 nan 8.380 nan 0.000 0.472 450 T N -3.423 111.070 114.554 -0.101 0.000 2.990 450 T HA 0.300 4.650 4.350 0.000 0.000 0.250 450 T C 0.386 174.872 174.700 -0.355 0.000 1.041 450 T CA -0.332 61.662 62.100 -0.176 0.000 1.010 450 T CB -0.165 68.622 68.868 -0.135 0.000 1.003 450 T HN -0.026 nan 8.240 nan 0.000 0.499 451 I N 3.868 124.080 120.570 -0.597 0.000 2.556 451 I HA 0.233 4.403 4.170 0.000 0.000 0.284 451 I C 0.544 176.116 176.117 -0.908 0.000 1.114 451 I CA -0.420 60.246 61.300 -1.057 0.000 1.418 451 I CB 0.527 37.346 38.000 -1.968 0.000 1.394 451 I HN 0.177 nan 8.210 nan 0.000 0.552 452 N N 6.068 124.377 118.700 -0.652 0.000 2.671 452 N HA -0.005 4.735 4.740 0.000 0.000 0.274 452 N C 0.490 175.730 175.510 -0.450 0.000 1.188 452 N CA -0.012 52.792 53.050 -0.410 0.000 1.065 452 N CB -0.047 38.285 38.487 -0.259 0.000 1.415 452 N HN 0.500 nan 8.380 nan 0.000 0.511 453 W N 1.642 122.739 121.300 -0.337 0.000 2.364 453 W HA -0.078 4.582 4.660 0.000 0.000 0.281 453 W C 1.958 177.950 176.519 -0.880 0.000 1.219 453 W CA 0.123 57.074 57.345 -0.657 0.000 1.220 453 W CB 0.062 29.120 29.460 -0.669 0.000 1.127 453 W HN 0.360 nan 8.180 nan 0.000 0.556 454 K N 1.554 121.819 120.400 -0.226 0.000 2.519 454 K HA -0.174 4.146 4.320 0.000 0.000 0.196 454 K C 1.736 178.296 176.600 -0.068 0.000 1.041 454 K CA 1.242 57.486 56.287 -0.071 0.000 0.954 454 K CB -0.242 32.275 32.500 0.029 0.000 0.774 454 K HN 0.170 nan 8.250 nan 0.000 0.480 455 K N -0.507 119.808 120.400 -0.141 0.000 2.276 455 K HA 0.061 4.381 4.320 0.000 0.000 0.198 455 K C 1.491 178.068 176.600 -0.038 0.000 1.052 455 K CA 0.375 56.618 56.287 -0.074 0.000 0.984 455 K CB 0.147 32.591 32.500 -0.094 0.000 0.836 455 K HN 0.105 nan 8.250 nan 0.000 0.490 456 L N 0.952 122.119 121.223 -0.093 0.000 2.270 456 L HA 0.109 4.449 4.340 0.000 0.000 0.210 456 L C 0.579 177.557 176.870 0.179 0.000 1.104 456 L CA -0.145 54.716 54.840 0.035 0.000 0.804 456 L CB -0.279 41.835 42.059 0.092 0.000 0.937 456 L HN -0.018 nan 8.230 nan 0.000 0.450 457 F N 0.548 120.584 119.950 0.144 0.000 2.480 457 F HA 0.333 4.860 4.527 0.000 0.000 0.319 457 F C 1.344 177.185 175.800 0.068 0.000 1.230 457 F CA -0.546 57.517 58.000 0.104 0.000 1.285 457 F CB 0.064 39.123 39.000 0.098 0.000 1.208 457 F HN -0.157 nan 8.300 nan 0.000 0.579 458 G N -0.170 108.785 108.800 0.258 0.000 4.956 458 G HA2 0.343 4.303 3.960 0.000 0.000 0.263 458 G HA3 0.343 4.303 3.960 0.000 0.000 0.263 458 G C -0.603 174.344 174.900 0.078 0.000 0.958 458 G CA -0.138 45.044 45.100 0.137 0.000 0.749 458 G HN 0.639 nan 8.290 nan 0.000 0.356 459 T N 0.331 114.920 114.554 0.058 0.000 2.932 459 T HA 0.457 4.807 4.350 0.000 0.000 0.318 459 T C -0.193 174.495 174.700 -0.021 0.000 1.265 459 T CA -0.428 61.673 62.100 0.002 0.000 1.036 459 T CB 1.784 70.636 68.868 -0.026 0.000 1.209 459 T HN 0.023 nan 8.240 nan 0.000 0.484 460 S N 1.103 116.789 115.700 -0.023 0.000 2.537 460 S HA 0.424 4.894 4.470 0.000 0.000 0.286 460 S C 1.491 176.050 174.600 -0.067 0.000 1.299 460 S CA 0.766 58.948 58.200 -0.029 0.000 1.067 460 S CB 0.318 63.504 63.200 -0.024 0.000 0.864 460 S HN 1.412 nan 8.310 nan 0.000 0.494 461 G N 2.182 110.940 108.800 -0.069 0.000 2.175 461 G HA2 -0.226 3.734 3.960 0.000 0.000 0.244 461 G HA3 -0.226 3.734 3.960 0.000 0.000 0.244 461 G C -0.118 174.674 174.900 -0.180 0.000 0.982 461 G CA -0.370 44.670 45.100 -0.100 0.000 0.641 461 G HN 0.695 nan 8.290 nan 0.000 0.527 462 Q N 0.922 120.557 119.800 -0.276 0.000 2.244 462 Q HA 0.349 4.689 4.340 0.000 0.000 0.276 462 Q C 0.459 176.177 176.000 -0.470 0.000 1.122 462 Q CA 0.654 56.106 55.803 -0.585 0.000 0.920 462 Q CB 0.488 28.523 28.738 -1.172 0.000 1.186 462 Q HN 0.492 nan 8.270 nan 0.000 0.393 463 K N 1.013 121.215 120.400 -0.329 0.000 2.210 463 K HA 0.497 4.817 4.320 0.000 0.000 0.236 463 K C -0.141 176.413 176.600 -0.077 0.000 1.016 463 K CA -0.569 55.643 56.287 -0.124 0.000 0.913 463 K CB 1.471 33.914 32.500 -0.095 0.000 1.141 463 K HN 0.339 nan 8.250 nan 0.000 0.462 464 T N 0.456 115.002 114.554 -0.014 0.000 2.965 464 T HA 0.206 4.556 4.350 0.000 0.000 0.306 464 T C -1.486 173.168 174.700 -0.077 0.000 0.991 464 T CA -0.778 61.261 62.100 -0.102 0.000 1.001 464 T CB 0.432 69.166 68.868 -0.223 0.000 0.984 464 T HN 0.463 nan 8.240 nan 0.000 0.446 465 K N 6.363 126.723 120.400 -0.067 0.000 2.296 465 K HA 0.487 4.807 4.320 0.000 0.000 0.257 465 K C -0.712 175.843 176.600 -0.075 0.000 1.088 465 K CA -0.526 55.738 56.287 -0.039 0.000 0.980 465 K CB 0.091 32.597 32.500 0.010 0.000 1.430 465 K HN 0.644 nan 8.250 nan 0.000 0.441 466 I N 7.635 128.175 120.570 -0.050 0.000 2.405 466 I HA 0.318 4.488 4.170 0.000 0.000 0.280 466 I C -0.090 176.022 176.117 -0.009 0.000 1.027 466 I CA -0.713 60.571 61.300 -0.026 0.000 1.161 466 I CB 0.663 38.674 38.000 0.019 0.000 1.300 466 I HN 0.495 nan 8.210 nan 0.000 0.463 467 I N 0.650 121.208 120.570 -0.020 0.000 3.264 467 I HA 0.561 4.732 4.170 0.000 0.000 0.315 467 I C 0.214 176.322 176.117 -0.015 0.000 1.154 467 I CA -0.902 60.389 61.300 -0.015 0.000 0.962 467 I CB 2.225 40.213 38.000 -0.020 0.000 1.265 467 I HN 0.346 nan 8.210 nan 0.000 0.463 468 S N 2.185 117.877 115.700 -0.013 0.000 3.447 468 S HA -0.150 4.320 4.470 0.000 0.000 0.371 468 S C -0.211 174.385 174.600 -0.007 0.000 0.951 468 S CA 0.637 58.830 58.200 -0.011 0.000 1.269 468 S CB -1.950 61.241 63.200 -0.015 0.000 0.919 468 S HN 0.780 nan 8.310 nan 0.000 0.516 469 N N 0.587 119.285 118.700 -0.004 0.000 3.178 469 N HA 0.481 5.221 4.740 0.000 0.000 0.352 469 N C 0.291 175.799 175.510 -0.005 0.000 1.423 469 N CA -0.908 52.142 53.050 0.001 0.000 0.698 469 N CB 0.316 38.809 38.487 0.011 0.000 1.400 469 N HN 0.349 nan 8.380 nan 0.000 0.586 470 R N 0.334 120.830 120.500 -0.008 0.000 2.401 470 R HA 0.366 4.706 4.340 0.000 0.000 0.299 470 R C 0.389 176.669 176.300 -0.034 0.000 1.064 470 R CA -0.117 55.970 56.100 -0.022 0.000 1.000 470 R CB -0.312 29.968 30.300 -0.033 0.000 0.973 470 R HN 0.590 nan 8.270 nan 0.000 0.438 471 G N 2.786 111.567 108.800 -0.031 0.000 2.321 471 G HA2 -0.106 3.854 3.960 0.000 0.000 0.237 471 G HA3 -0.106 3.854 3.960 0.000 0.000 0.237 471 G C 0.433 175.303 174.900 -0.050 0.000 1.282 471 G CA -0.133 44.947 45.100 -0.033 0.000 0.886 471 G HN 0.954 nan 8.290 nan 0.000 0.528 472 E N 1.963 122.135 120.200 -0.047 0.000 2.085 472 E HA -0.202 4.148 4.350 0.000 0.000 0.194 472 E C 1.863 178.427 176.600 -0.061 0.000 0.994 472 E CA 1.327 57.691 56.400 -0.061 0.000 0.801 472 E CB -0.011 29.662 29.700 -0.046 0.000 0.743 472 E HN 0.559 nan 8.360 nan 0.000 0.453 473 N N 0.280 118.953 118.700 -0.044 0.000 2.223 473 N HA -0.132 4.608 4.740 0.000 0.000 0.185 473 N C 1.821 177.306 175.510 -0.043 0.000 1.016 473 N CA 1.175 54.201 53.050 -0.039 0.000 0.863 473 N CB -0.395 38.075 38.487 -0.029 0.000 0.983 473 N HN 0.086 nan 8.380 nan 0.000 0.429 474 S N -0.112 115.561 115.700 -0.045 0.000 2.387 474 S HA -0.034 4.436 4.470 0.000 0.000 0.226 474 S C 2.271 176.834 174.600 -0.062 0.000 1.026 474 S CA 0.546 58.720 58.200 -0.044 0.000 0.972 474 S CB -0.370 62.808 63.200 -0.037 0.000 0.814 474 S HN 0.404 nan 8.310 nan 0.000 0.477 475 c N 2.429 120.975 118.600 -0.091 0.000 2.432 475 c HA -0.048 4.522 4.570 0.000 0.000 0.277 475 c C 2.694 176.712 174.090 -0.120 0.000 1.249 475 c CA 1.445 57.688 56.329 -0.143 0.000 1.725 475 c CB -1.075 41.300 42.510 -0.225 0.000 2.028 475 c HN 0.822 nan 8.230 nan 0.000 0.477 476 K N 1.469 121.813 120.400 -0.093 0.000 2.217 476 K HA 0.037 4.357 4.320 0.000 0.000 0.202 476 K C 1.926 178.499 176.600 -0.046 0.000 1.051 476 K CA 1.543 57.790 56.287 -0.067 0.000 0.952 476 K CB -0.286 32.181 32.500 -0.056 0.000 0.736 476 K HN 0.364 nan 8.250 nan 0.000 0.453 477 A N 1.645 124.440 122.820 -0.043 0.000 1.873 477 A HA -0.068 4.252 4.320 0.000 0.000 0.215 477 A C 1.877 179.447 177.584 -0.023 0.000 1.186 477 A CA 1.751 53.770 52.037 -0.029 0.000 0.616 477 A CB -0.926 18.058 19.000 -0.027 0.000 0.823 477 A HN 0.394 nan 8.150 nan 0.000 0.442 478 T N -0.016 114.522 114.554 -0.027 0.000 3.324 478 T HA 0.387 4.737 4.350 0.000 0.000 0.250 478 T C 1.177 175.873 174.700 -0.007 0.000 1.059 478 T CA 0.652 62.743 62.100 -0.014 0.000 0.951 478 T CB -0.492 68.369 68.868 -0.013 0.000 1.030 478 T HN 1.336 nan 8.240 nan 0.000 0.576 479 G N 2.327 111.119 108.800 -0.013 0.000 2.258 479 G HA2 -0.306 3.654 3.960 0.000 0.000 0.274 479 G HA3 -0.306 3.654 3.960 0.000 0.000 0.274 479 G C 0.132 175.044 174.900 0.022 0.000 1.021 479 G CA -0.096 45.005 45.100 0.002 0.000 0.798 479 G HN 0.622 nan 8.290 nan 0.000 0.507 480 Q N -0.048 119.743 119.800 -0.016 0.000 3.091 480 Q HA 0.457 4.797 4.340 0.000 0.000 0.301 480 Q C 0.744 176.645 176.000 -0.164 0.000 1.337 480 Q CA -0.000 55.796 55.803 -0.012 0.000 1.083 480 Q CB 0.738 29.428 28.738 -0.080 0.000 1.477 480 Q HN 0.718 nan 8.270 nan 0.000 0.537 481 V N -3.478 116.458 119.914 0.036 0.000 3.240 481 V HA 0.521 4.641 4.120 0.000 0.000 0.306 481 V C 0.281 176.538 176.094 0.271 0.000 1.227 481 V CA -1.230 61.097 62.300 0.045 0.000 1.047 481 V CB 1.121 32.940 31.823 -0.006 0.000 1.203 481 V HN 0.330 nan 8.190 nan 0.000 0.471 482 c N 1.744 120.451 118.600 0.178 0.000 2.644 482 c HA 0.275 4.845 4.570 0.000 0.000 0.417 482 c C 0.819 174.979 174.090 0.116 0.000 1.304 482 c CA -0.079 56.343 56.329 0.157 0.000 2.035 482 c CB -1.594 40.955 42.510 0.065 0.000 2.673 482 c HN 0.994 nan 8.230 nan 0.000 0.602 483 H N 1.531 120.618 119.070 0.029 0.000 2.929 483 H HA 0.047 4.603 4.556 0.000 0.000 0.358 483 H C 1.103 176.430 175.328 -0.001 0.000 1.111 483 H CA 0.793 56.848 56.048 0.011 0.000 1.409 483 H CB 0.823 30.583 29.762 -0.004 0.000 1.373 483 H HN 0.824 nan 8.280 nan 0.000 0.610 484 A N 4.933 127.397 122.820 -0.595 0.000 2.019 484 A HA -0.110 4.210 4.320 0.000 0.000 0.219 484 A C 2.512 180.014 177.584 -0.136 0.000 1.164 484 A CA 0.978 52.818 52.037 -0.329 0.000 0.644 484 A CB -0.323 18.458 19.000 -0.365 0.000 0.805 484 A HN 0.733 nan 8.150 nan 0.000 0.449 485 L N -0.657 120.584 121.223 0.029 0.000 2.554 485 L HA 0.012 4.352 4.340 0.000 0.000 0.226 485 L C 0.197 177.122 176.870 0.092 0.000 1.137 485 L CA -0.529 54.395 54.840 0.139 0.000 0.863 485 L CB -0.359 41.862 42.059 0.268 0.000 0.985 485 L HN 0.265 nan 8.230 nan 0.000 0.451 486 c N 0.615 119.265 118.600 0.084 0.000 2.566 486 c HA 0.204 4.774 4.570 0.000 0.000 0.393 486 c C 1.415 175.498 174.090 -0.011 0.000 1.309 486 c CA -0.650 55.697 56.329 0.030 0.000 1.801 486 c CB 0.125 42.652 42.510 0.028 0.000 2.493 486 c HN 0.371 nan 8.230 nan 0.000 0.575 487 S N 4.042 119.727 115.700 -0.025 0.000 2.584 487 S HA 0.125 4.595 4.470 0.000 0.000 0.270 487 S C -1.279 173.285 174.600 -0.060 0.000 1.346 487 S CA -0.688 57.488 58.200 -0.039 0.000 1.018 487 S CB 0.528 63.704 63.200 -0.040 0.000 0.899 487 S HN 0.607 nan 8.310 nan 0.000 0.542 488 P HA -0.072 nan 4.420 nan 0.000 0.224 488 P C 0.907 178.145 177.300 -0.104 0.000 1.142 488 P CA 0.876 63.932 63.100 -0.072 0.000 0.778 488 P CB 0.047 31.712 31.700 -0.058 0.000 0.764 489 E N -0.406 119.727 120.200 -0.112 0.000 2.267 489 E HA 0.033 4.383 4.350 0.000 0.000 0.197 489 E C 1.053 177.507 176.600 -0.243 0.000 0.998 489 E CA 1.077 57.383 56.400 -0.157 0.000 0.830 489 E CB -0.378 29.243 29.700 -0.132 0.000 0.751 489 E HN 0.218 nan 8.360 nan 0.000 0.491 490 G N -1.759 106.907 108.800 -0.224 0.000 2.373 490 G HA2 -0.061 3.899 3.960 0.000 0.000 0.634 490 G HA3 -0.061 3.899 3.960 0.000 0.000 0.634 490 G C -0.930 173.793 174.900 -0.295 0.000 1.267 490 G CA -0.742 44.180 45.100 -0.297 0.000 1.008 490 G HN 0.695 nan 8.290 nan 0.000 0.497 491 c N -3.798 114.589 118.600 -0.355 0.000 2.985 491 c HA 0.727 5.297 4.570 0.000 0.000 0.332 491 c C 0.326 174.196 174.090 -0.368 0.000 1.164 491 c CA -1.029 55.133 56.329 -0.278 0.000 1.347 491 c CB 0.657 43.114 42.510 -0.088 0.000 1.764 491 c HN 1.081 nan 8.230 nan 0.000 0.489 492 W N 2.453 123.663 121.300 -0.150 0.000 3.256 492 W HA 0.501 5.161 4.660 0.000 0.000 0.269 492 W C 1.243 177.601 176.519 -0.269 0.000 1.310 492 W CA 0.820 58.072 57.345 -0.157 0.000 1.673 492 W CB 0.446 29.830 29.460 -0.128 0.000 1.115 492 W HN 1.320 nan 8.180 nan 0.000 0.686 493 G N -1.361 107.254 108.800 -0.309 0.000 2.321 493 G HA2 0.129 4.089 3.960 0.000 0.000 0.296 493 G HA3 0.129 4.089 3.960 0.000 0.000 0.296 493 G C -2.624 171.828 174.900 -0.748 0.000 1.287 493 G CA -0.731 43.921 45.100 -0.746 0.000 0.846 493 G HN -0.405 nan 8.290 nan 0.000 0.508 494 P HA 0.120 nan 4.420 nan 0.000 0.219 494 P C 0.476 177.743 177.300 -0.055 0.000 1.154 494 P CA 0.688 63.701 63.100 -0.146 0.000 0.826 494 P CB 0.193 31.895 31.700 0.004 0.000 0.795 495 E N 0.427 120.559 120.200 -0.113 0.000 2.408 495 E HA 0.026 4.377 4.350 0.000 0.000 0.259 495 E C -1.687 174.798 176.600 -0.191 0.000 1.110 495 E CA -1.447 54.870 56.400 -0.138 0.000 0.929 495 E CB -0.222 29.412 29.700 -0.109 0.000 0.971 495 E HN 0.110 nan 8.360 nan 0.000 0.438 496 P HA -0.137 nan 4.420 nan 0.000 0.230 496 P C 0.535 177.749 177.300 -0.144 0.000 1.158 496 P CA 1.066 63.958 63.100 -0.346 0.000 0.769 496 P CB 0.091 31.501 31.700 -0.482 0.000 0.807 497 R N -1.405 119.028 120.500 -0.113 0.000 2.297 497 R HA 0.133 4.474 4.340 0.000 0.000 0.197 497 R C 0.294 176.580 176.300 -0.023 0.000 0.943 497 R CA 0.569 56.633 56.100 -0.061 0.000 1.038 497 R CB -0.502 29.763 30.300 -0.058 0.000 0.957 497 R HN 0.040 nan 8.270 nan 0.000 0.484 498 D N 0.741 121.128 120.400 -0.023 0.000 2.340 498 D HA 0.096 4.736 4.640 0.000 0.000 0.217 498 D C -0.180 176.174 176.300 0.089 0.000 1.081 498 D CA -0.171 53.854 54.000 0.042 0.000 0.842 498 D CB 0.132 40.918 40.800 -0.025 0.000 0.934 498 D HN 0.147 nan 8.370 nan 0.000 0.511 499 c N 0.795 119.419 118.600 0.039 0.000 2.644 499 c HA 0.073 4.643 4.570 0.000 0.000 0.417 499 c C 2.366 176.491 174.090 0.059 0.000 1.304 499 c CA -0.641 55.699 56.329 0.017 0.000 2.035 499 c CB 1.054 43.567 42.510 0.005 0.000 2.673 499 c HN 0.109 nan 8.230 nan 0.000 0.602 500 V N 3.079 122.977 119.914 -0.027 0.000 2.283 500 V HA -0.027 4.093 4.120 0.000 0.000 0.243 500 V C 1.137 177.230 176.094 -0.001 0.000 1.039 500 V CA 1.989 64.287 62.300 -0.004 0.000 1.016 500 V CB -0.435 31.276 31.823 -0.187 0.000 0.650 500 V HN 0.979 nan 8.190 nan 0.000 0.449 501 S N -1.920 113.758 115.700 -0.037 0.000 2.570 501 S HA 0.471 4.942 4.470 0.000 0.000 0.286 501 S C -0.779 173.808 174.600 -0.022 0.000 1.099 501 S CA -0.865 57.320 58.200 -0.026 0.000 0.913 501 S CB 1.576 64.753 63.200 -0.037 0.000 1.085 501 S HN 0.251 nan 8.310 nan 0.000 0.480 502 c N 3.029 121.620 118.600 -0.014 0.000 2.459 502 c HA 0.544 5.114 4.570 0.000 0.000 0.374 502 c C 2.182 176.266 174.090 -0.011 0.000 1.241 502 c CA -0.787 55.537 56.329 -0.009 0.000 2.352 502 c CB 0.525 43.029 42.510 -0.009 0.000 2.490 502 c HN 0.971 nan 8.230 nan 0.000 0.583 503 R N 1.582 122.080 120.500 -0.003 0.000 2.070 503 R HA -0.039 4.301 4.340 0.000 0.000 0.227 503 R C 1.423 177.718 176.300 -0.008 0.000 1.147 503 R CA 1.719 57.815 56.100 -0.007 0.000 0.924 503 R CB -0.470 29.829 30.300 -0.001 0.000 0.827 503 R HN 0.729 nan 8.270 nan 0.000 0.431 504 N N -0.434 118.263 118.700 -0.005 0.000 2.429 504 N HA 0.015 4.755 4.740 0.000 0.000 0.220 504 N C 0.824 176.325 175.510 -0.014 0.000 1.024 504 N CA 1.127 54.172 53.050 -0.009 0.000 1.105 504 N CB -0.428 38.056 38.487 -0.006 0.000 1.376 504 N HN 0.114 nan 8.380 nan 0.000 0.565 505 V N -2.743 117.161 119.914 -0.017 0.000 3.105 505 V HA 0.891 5.011 4.120 0.000 0.000 0.311 505 V C -0.856 175.220 176.094 -0.030 0.000 1.282 505 V CA -0.935 61.348 62.300 -0.029 0.000 1.065 505 V CB 1.434 33.232 31.823 -0.040 0.000 1.136 505 V HN 0.399 nan 8.190 nan 0.000 0.469 506 S N 0.137 115.811 115.700 -0.043 0.000 2.543 506 S HA 0.646 5.116 4.470 0.000 0.000 0.271 506 S C -0.964 173.604 174.600 -0.054 0.000 1.148 506 S CA -0.948 57.227 58.200 -0.041 0.000 0.914 506 S CB 2.070 65.249 63.200 -0.035 0.000 1.096 506 S HN 0.820 nan 8.310 nan 0.000 0.471 507 R N 2.212 122.683 120.500 -0.047 0.000 2.825 507 R HA 0.497 4.837 4.340 0.000 0.000 0.261 507 R C 1.455 177.729 176.300 -0.044 0.000 1.341 507 R CA 0.467 56.536 56.100 -0.051 0.000 1.353 507 R CB -0.169 30.105 30.300 -0.043 0.000 1.191 507 R HN 1.311 nan 8.270 nan 0.000 0.590 508 G N 3.611 112.383 108.800 -0.047 0.000 3.879 508 G HA2 -0.442 3.518 3.960 0.000 0.000 0.318 508 G HA3 -0.442 3.518 3.960 0.000 0.000 0.318 508 G C 0.601 175.482 174.900 -0.032 0.000 1.344 508 G CA 0.563 45.641 45.100 -0.037 0.000 1.024 508 G HN 0.607 nan 8.290 nan 0.000 0.681 509 R N 1.346 121.828 120.500 -0.030 0.000 2.613 509 R HA 0.609 4.949 4.340 0.000 0.000 0.361 509 R C 0.273 176.555 176.300 -0.030 0.000 1.072 509 R CA 0.564 56.648 56.100 -0.027 0.000 1.089 509 R CB 0.473 30.757 30.300 -0.026 0.000 1.343 509 R HN 0.576 nan 8.270 nan 0.000 0.571 510 E N 0.936 121.115 120.200 -0.034 0.000 2.292 510 E HA 0.302 4.652 4.350 0.000 0.000 0.272 510 E C -1.249 175.329 176.600 -0.038 0.000 0.881 510 E CA -0.908 55.467 56.400 -0.042 0.000 0.754 510 E CB 2.137 31.807 29.700 -0.050 0.000 1.201 510 E HN 0.242 nan 8.360 nan 0.000 0.425 511 c N 3.793 122.371 118.600 -0.037 0.000 2.527 511 c HA 0.549 5.119 4.570 0.000 0.000 0.396 511 c C 0.537 174.618 174.090 -0.015 0.000 1.289 511 c CA -0.424 55.894 56.329 -0.020 0.000 2.047 511 c CB -0.388 42.121 42.510 -0.001 0.000 2.568 511 c HN 0.522 nan 8.230 nan 0.000 0.573 512 V N 1.529 121.441 119.914 -0.004 0.000 3.119 512 V HA 0.698 4.818 4.120 0.000 0.000 0.309 512 V C 0.132 176.237 176.094 0.019 0.000 1.304 512 V CA -0.330 61.974 62.300 0.007 0.000 1.057 512 V CB 1.680 33.497 31.823 -0.010 0.000 1.150 512 V HN 0.712 nan 8.190 nan 0.000 0.474 513 D N -0.920 119.491 120.400 0.018 0.000 2.423 513 D HA 0.196 4.837 4.640 0.000 0.000 0.208 513 D C 0.303 176.604 176.300 0.002 0.000 1.068 513 D CA 0.668 54.677 54.000 0.015 0.000 0.860 513 D CB 0.362 41.174 40.800 0.020 0.000 0.992 513 D HN 0.954 nan 8.370 nan 0.000 0.504 514 K N -1.322 119.076 120.400 -0.003 0.000 2.774 514 K HA 0.338 4.658 4.320 0.000 0.000 0.283 514 K C -1.436 175.155 176.600 -0.015 0.000 1.050 514 K CA -0.824 55.458 56.287 -0.008 0.000 0.872 514 K CB 0.412 32.910 32.500 -0.004 0.000 1.434 514 K HN -0.084 nan 8.250 nan 0.000 0.372 515 c N 1.473 120.061 118.600 -0.020 0.000 2.595 515 c HA 0.260 4.830 4.570 0.000 0.000 0.384 515 c C 0.205 174.289 174.090 -0.011 0.000 1.289 515 c CA -0.517 55.796 56.329 -0.027 0.000 2.372 515 c CB -0.088 42.397 42.510 -0.043 0.000 2.593 515 c HN 0.684 nan 8.230 nan 0.000 0.639 516 K N 2.296 122.689 120.400 -0.010 0.000 2.142 516 K HA 0.204 4.524 4.320 0.000 0.000 0.250 516 K C 0.442 177.050 176.600 0.014 0.000 1.148 516 K CA -0.004 56.284 56.287 0.001 0.000 1.040 516 K CB 0.055 32.554 32.500 -0.001 0.000 1.569 516 K HN 0.574 nan 8.250 nan 0.000 0.361 517 L N 1.166 122.400 121.223 0.017 0.000 2.189 517 L HA -0.016 4.324 4.340 0.000 0.000 0.199 517 L C 1.731 178.615 176.870 0.023 0.000 1.074 517 L CA 0.814 55.672 54.840 0.030 0.000 0.783 517 L CB 0.007 42.085 42.059 0.032 0.000 0.955 517 L HN 0.502 nan 8.230 nan 0.000 0.460 518 L N -1.365 119.867 121.223 0.015 0.000 2.202 518 L HA 0.075 4.415 4.340 0.000 0.000 0.205 518 L C 1.006 177.881 176.870 0.007 0.000 1.083 518 L CA 0.648 55.495 54.840 0.011 0.000 0.790 518 L CB 0.015 42.079 42.059 0.008 0.000 0.942 518 L HN 0.239 nan 8.230 nan 0.000 0.452 519 E N -1.150 119.054 120.200 0.006 0.000 2.549 519 E HA 0.547 4.897 4.350 0.000 0.000 0.200 519 E C -0.450 176.152 176.600 0.003 0.000 0.732 519 E CA -0.424 55.978 56.400 0.003 0.000 0.987 519 E CB 1.061 30.762 29.700 0.001 0.000 1.810 519 E HN 0.033 nan 8.360 nan 0.000 0.377 520 G N 0.744 109.544 108.800 0.001 0.000 2.750 520 G HA2 -0.246 3.714 3.960 0.000 0.000 0.686 520 G HA3 -0.246 3.714 3.960 0.000 0.000 0.686 520 G C 0.135 175.034 174.900 -0.001 0.000 1.395 520 G CA 0.258 45.357 45.100 -0.001 0.000 0.918 520 G HN 0.539 nan 8.290 nan 0.000 0.594 521 E N 1.183 121.381 120.200 -0.003 0.000 2.007 521 E HA -0.061 4.289 4.350 0.000 0.000 0.194 521 E C -1.272 175.327 176.600 -0.002 0.000 0.999 521 E CA 1.466 57.864 56.400 -0.004 0.000 0.811 521 E CB -0.406 29.291 29.700 -0.005 0.000 0.762 521 E HN 0.513 nan 8.360 nan 0.000 0.450 522 P HA 0.137 nan 4.420 nan 0.000 0.287 522 P C -0.887 176.420 177.300 0.011 0.000 1.307 522 P CA -0.077 63.024 63.100 0.002 0.000 0.777 522 P CB 0.724 32.422 31.700 -0.003 0.000 0.883 523 R N 2.785 123.298 120.500 0.021 0.000 2.491 523 R HA 0.355 4.695 4.340 0.000 0.000 0.283 523 R C 0.529 176.868 176.300 0.064 0.000 1.072 523 R CA 0.064 56.187 56.100 0.037 0.000 1.048 523 R CB 0.251 30.575 30.300 0.040 0.000 0.983 523 R HN 0.548 nan 8.270 nan 0.000 0.450 524 E N 1.061 121.304 120.200 0.071 0.000 2.423 524 E HA 0.543 4.893 4.350 0.000 0.000 0.269 524 E C -0.914 175.787 176.600 0.168 0.000 0.948 524 E CA -0.826 55.625 56.400 0.086 0.000 0.802 524 E CB 1.924 31.612 29.700 -0.020 0.000 1.339 524 E HN 0.420 nan 8.360 nan 0.000 0.445 525 F N -1.893 118.060 119.950 0.005 0.000 2.629 525 F HA 0.731 5.258 4.527 0.000 0.000 0.316 525 F C -1.368 174.434 175.800 0.003 0.000 1.081 525 F CA -1.169 56.834 58.000 0.004 0.000 0.954 525 F CB 0.884 39.888 39.000 0.006 0.000 1.337 525 F HN 0.112 nan 8.300 nan 0.000 0.474 526 V N 1.636 121.575 119.914 0.041 0.000 2.357 526 V HA 0.488 4.608 4.120 0.000 0.000 0.284 526 V C -0.780 175.333 176.094 0.032 0.000 1.018 526 V CA -0.496 61.764 62.300 -0.068 0.000 0.841 526 V CB 0.984 32.803 31.823 -0.008 0.000 0.991 526 V HN 0.834 nan 8.190 nan 0.000 0.437 527 E N 3.836 123.995 120.200 -0.068 0.000 2.287 527 E HA 0.366 4.716 4.350 0.000 0.000 0.274 527 E C -0.826 175.766 176.600 -0.014 0.000 0.896 527 E CA -0.733 55.690 56.400 0.038 0.000 0.788 527 E CB 1.482 31.296 29.700 0.190 0.000 1.244 527 E HN 0.693 nan 8.360 nan 0.000 0.408 528 N N 1.356 120.057 118.700 0.002 0.000 2.758 528 N HA -0.178 4.562 4.740 0.000 0.000 0.248 528 N C -0.516 174.977 175.510 -0.027 0.000 1.076 528 N CA 1.274 54.319 53.050 -0.007 0.000 0.696 528 N CB -1.581 36.905 38.487 -0.002 0.000 0.979 528 N HN 0.607 nan 8.380 nan 0.000 0.550 529 S N -2.217 113.463 115.700 -0.032 0.000 3.445 529 S HA -0.266 4.204 4.470 0.000 0.000 0.319 529 S C 0.036 174.599 174.600 -0.061 0.000 1.209 529 S CA 1.475 59.652 58.200 -0.039 0.000 0.934 529 S CB -0.793 62.392 63.200 -0.026 0.000 0.999 529 S HN 0.638 nan 8.310 nan 0.000 0.582 530 E N -0.532 119.611 120.200 -0.094 0.000 2.212 530 E HA 0.440 4.790 4.350 0.000 0.000 0.268 530 E C -0.613 175.857 176.600 -0.217 0.000 0.902 530 E CA -0.732 55.592 56.400 -0.127 0.000 0.779 530 E CB 1.499 31.130 29.700 -0.114 0.000 1.172 530 E HN 0.276 nan 8.360 nan 0.000 0.409 531 c N 3.756 122.239 118.600 -0.195 0.000 2.239 531 c HA 0.485 5.055 4.570 0.000 0.000 0.325 531 c C -0.261 173.670 174.090 -0.265 0.000 1.231 531 c CA -0.659 55.526 56.329 -0.241 0.000 1.652 531 c CB -1.347 41.081 42.510 -0.136 0.000 2.284 531 c HN 0.500 nan 8.230 nan 0.000 0.499 532 I N 3.042 123.340 120.570 -0.453 0.000 2.465 532 I HA 0.296 4.466 4.170 0.000 0.000 0.291 532 I C 0.121 176.194 176.117 -0.072 0.000 1.014 532 I CA -0.181 60.954 61.300 -0.274 0.000 1.093 532 I CB 1.147 38.981 38.000 -0.277 0.000 1.267 532 I HN 0.564 nan 8.210 nan 0.000 0.431 533 Q N 3.729 123.550 119.800 0.035 0.000 2.332 533 Q HA 0.282 4.622 4.340 0.000 0.000 0.263 533 Q C -0.477 175.635 176.000 0.187 0.000 0.979 533 Q CA -0.445 55.413 55.803 0.091 0.000 0.885 533 Q CB 0.812 29.573 28.738 0.039 0.000 1.218 533 Q HN 0.668 nan 8.270 nan 0.000 0.405 534 c N 1.627 120.347 118.600 0.199 0.000 2.705 534 c HA 0.026 4.596 4.570 0.000 0.000 0.365 534 c C 0.967 175.137 174.090 0.133 0.000 1.353 534 c CA -0.682 55.755 56.329 0.181 0.000 2.339 534 c CB -0.278 42.310 42.510 0.131 0.000 2.576 534 c HN 0.715 nan 8.230 nan 0.000 0.716 535 H N 2.065 121.163 119.070 0.047 0.000 2.964 535 H HA 0.035 4.591 4.556 0.000 0.000 0.328 535 H C -1.493 173.855 175.328 0.033 0.000 1.030 535 H CA -0.519 55.552 56.048 0.037 0.000 1.445 535 H CB 0.782 30.561 29.762 0.028 0.000 1.449 535 H HN 0.388 nan 8.280 nan 0.000 0.581 536 P HA -0.158 nan 4.420 nan 0.000 0.219 536 P C 0.746 178.059 177.300 0.021 0.000 1.144 536 P CA 1.078 64.110 63.100 -0.113 0.000 0.806 536 P CB 0.281 31.867 31.700 -0.190 0.000 0.771 537 E N -1.457 118.850 120.200 0.178 0.000 2.485 537 E HA -0.009 4.341 4.350 0.000 0.000 0.194 537 E C 0.085 176.755 176.600 0.117 0.000 1.098 537 E CA 0.176 56.706 56.400 0.216 0.000 0.878 537 E CB -0.829 29.073 29.700 0.336 0.000 0.939 537 E HN 0.258 nan 8.360 nan 0.000 0.503 538 c N 0.931 119.584 118.600 0.087 0.000 2.388 538 c HA 0.375 4.945 4.570 0.000 0.000 0.362 538 c C 0.720 174.810 174.090 -0.000 0.000 1.266 538 c CA -0.933 55.419 56.329 0.039 0.000 2.028 538 c CB 0.132 42.671 42.510 0.048 0.000 2.440 538 c HN 0.344 nan 8.230 nan 0.000 0.547 539 L N 6.795 128.004 121.223 -0.023 0.000 2.278 539 L HA 0.312 4.652 4.340 0.000 0.000 0.287 539 L C -1.778 175.076 176.870 -0.027 0.000 1.072 539 L CA -1.385 53.429 54.840 -0.045 0.000 0.819 539 L CB 1.210 43.230 42.059 -0.065 0.000 1.176 539 L HN 0.507 nan 8.230 nan 0.000 0.435 540 P HA -0.068 nan 4.420 nan 0.000 0.254 540 P C -1.152 176.139 177.300 -0.015 0.000 1.186 540 P CA 0.053 63.144 63.100 -0.014 0.000 0.868 540 P CB 0.212 31.902 31.700 -0.018 0.000 0.856 541 Q N 2.621 122.416 119.800 -0.008 0.000 2.296 541 Q HA 0.213 4.553 4.340 0.000 0.000 0.263 541 Q C 1.320 177.318 176.000 -0.004 0.000 1.026 541 Q CA -0.118 55.681 55.803 -0.007 0.000 0.912 541 Q CB 1.116 29.852 28.738 -0.004 0.000 1.198 541 Q HN 0.447 nan 8.270 nan 0.000 0.407 542 A N 3.434 126.250 122.820 -0.007 0.000 2.167 542 A HA -0.073 4.247 4.320 0.000 0.000 0.214 542 A C 1.233 178.815 177.584 -0.002 0.000 1.151 542 A CA 0.890 52.924 52.037 -0.005 0.000 0.735 542 A CB 0.106 19.103 19.000 -0.006 0.000 0.802 542 A HN 0.538 nan 8.150 nan 0.000 0.467 543 M N -0.632 118.967 119.600 -0.002 0.000 2.449 543 M HA 0.219 4.699 4.480 0.000 0.000 0.178 543 M C 0.557 176.858 176.300 0.002 0.000 1.388 543 M CA 0.386 55.686 55.300 -0.000 0.000 1.295 543 M CB -1.700 30.900 32.600 -0.001 0.000 0.912 543 M HN 0.173 nan 8.290 nan 0.000 0.469 544 N N 1.058 119.759 118.700 0.002 0.000 2.332 544 N HA 0.323 5.063 4.740 0.000 0.000 0.285 544 N C 0.345 175.859 175.510 0.008 0.000 1.292 544 N CA -0.386 52.667 53.050 0.005 0.000 0.947 544 N CB -0.203 38.286 38.487 0.003 0.000 1.084 544 N HN 0.369 nan 8.380 nan 0.000 0.529 545 I N -2.787 117.790 120.570 0.012 0.000 3.473 545 I HA 0.071 4.242 4.170 0.000 0.000 0.251 545 I C 0.569 176.697 176.117 0.017 0.000 1.240 545 I CA -0.150 61.162 61.300 0.021 0.000 1.030 545 I CB 0.121 38.139 38.000 0.029 0.000 1.541 545 I HN 0.271 nan 8.210 nan 0.000 0.805 546 T N 0.035 114.606 114.554 0.028 0.000 3.071 546 T HA 0.176 4.527 4.350 0.000 0.000 0.239 546 T C 0.309 175.018 174.700 0.015 0.000 0.997 546 T CA 0.688 62.801 62.100 0.023 0.000 1.134 546 T CB -0.012 68.876 68.868 0.034 0.000 0.928 546 T HN 0.904 nan 8.240 nan 0.000 0.453 547 c N 1.103 119.716 118.600 0.023 0.000 3.336 547 c HA 0.820 5.390 4.570 0.000 0.000 0.339 547 c C 0.086 174.140 174.090 -0.059 0.000 1.468 547 c CA -0.215 56.100 56.329 -0.022 0.000 1.287 547 c CB 1.109 43.603 42.510 -0.027 0.000 1.682 547 c HN 0.394 nan 8.230 nan 0.000 0.451 548 T N -1.605 112.848 114.554 -0.168 0.000 3.533 548 T HA 0.682 5.032 4.350 0.000 0.000 0.275 548 T C 0.162 174.556 174.700 -0.510 0.000 1.000 548 T CA 0.536 62.490 62.100 -0.244 0.000 1.015 548 T CB -0.340 68.453 68.868 -0.126 0.000 1.153 548 T HN 2.537 nan 8.240 nan 0.000 0.504 549 G N 0.592 108.851 108.800 -0.900 0.000 2.313 549 G HA2 0.336 4.296 3.960 0.000 0.000 0.296 549 G HA3 0.336 4.296 3.960 0.000 0.000 0.296 549 G C -0.209 174.253 174.900 -0.730 0.000 1.356 549 G CA -0.913 43.579 45.100 -1.013 0.000 0.833 549 G HN 0.116 nan 8.290 nan 0.000 0.552 550 R N -0.342 119.976 120.500 -0.304 0.000 2.057 550 R HA 0.193 4.533 4.340 0.000 0.000 0.224 550 R C 1.762 178.093 176.300 0.053 0.000 1.136 550 R CA 0.745 56.870 56.100 0.042 0.000 0.968 550 R CB -0.334 30.056 30.300 0.149 0.000 0.863 550 R HN 0.621 nan 8.270 nan 0.000 0.433 551 G N 1.739 110.537 108.800 -0.003 0.000 2.569 551 G HA2 0.075 4.035 3.960 0.000 0.000 0.249 551 G HA3 0.075 4.035 3.960 0.000 0.000 0.249 551 G C -1.742 173.118 174.900 -0.067 0.000 1.216 551 G CA -1.048 44.045 45.100 -0.011 0.000 0.845 551 G HN 0.044 nan 8.290 nan 0.000 0.568 552 P HA -0.067 nan 4.420 nan 0.000 0.229 552 P C 0.418 177.641 177.300 -0.129 0.000 1.150 552 P CA 0.738 63.730 63.100 -0.180 0.000 0.765 552 P CB 0.308 31.787 31.700 -0.369 0.000 0.783 553 D N 0.054 120.365 120.400 -0.148 0.000 2.350 553 D HA -0.079 4.561 4.640 0.000 0.000 0.216 553 D C 0.770 176.985 176.300 -0.140 0.000 0.968 553 D CA 0.891 54.778 54.000 -0.188 0.000 0.894 553 D CB -0.757 39.913 40.800 -0.217 0.000 0.909 553 D HN 0.435 nan 8.370 nan 0.000 0.520 554 N N -0.663 117.963 118.700 -0.123 0.000 2.282 554 N HA 0.131 4.871 4.740 0.000 0.000 0.240 554 N C -0.737 174.719 175.510 -0.089 0.000 1.182 554 N CA -0.304 52.673 53.050 -0.121 0.000 0.874 554 N CB 0.714 39.094 38.487 -0.178 0.000 1.126 554 N HN -0.055 nan 8.380 nan 0.000 0.516 555 c N 0.612 119.173 118.600 -0.064 0.000 2.452 555 c HA 0.308 4.878 4.570 0.000 0.000 0.379 555 c C 2.144 176.214 174.090 -0.033 0.000 1.275 555 c CA -0.667 55.642 56.329 -0.034 0.000 2.056 555 c CB -0.066 42.437 42.510 -0.013 0.000 2.506 555 c HN 0.491 nan 8.230 nan 0.000 0.560 556 I N 0.966 121.522 120.570 -0.024 0.000 2.546 556 I HA -0.065 4.105 4.170 0.000 0.000 0.255 556 I C 1.038 177.144 176.117 -0.019 0.000 1.163 556 I CA 1.361 62.648 61.300 -0.021 0.000 1.457 556 I CB -0.199 37.792 38.000 -0.015 0.000 1.092 556 I HN 0.724 nan 8.210 nan 0.000 0.434 557 Q N -0.496 119.292 119.800 -0.019 0.000 2.468 557 Q HA 0.276 4.616 4.340 0.000 0.000 0.263 557 Q C -1.538 174.444 176.000 -0.030 0.000 0.979 557 Q CA -0.646 55.143 55.803 -0.023 0.000 0.932 557 Q CB 2.110 30.832 28.738 -0.026 0.000 1.462 557 Q HN 0.147 nan 8.270 nan 0.000 0.403 558 c N 1.679 120.259 118.600 -0.033 0.000 2.604 558 c HA 0.534 5.104 4.570 0.000 0.000 0.396 558 c C 1.672 175.695 174.090 -0.111 0.000 1.282 558 c CA 0.306 56.612 56.329 -0.039 0.000 2.292 558 c CB 0.405 42.907 42.510 -0.013 0.000 2.633 558 c HN 0.973 nan 8.230 nan 0.000 0.620 559 A N 0.825 123.570 122.820 -0.125 0.000 2.021 559 A HA 0.089 4.409 4.320 0.000 0.000 0.216 559 A C 1.093 178.335 177.584 -0.571 0.000 1.163 559 A CA 1.328 53.194 52.037 -0.285 0.000 0.676 559 A CB -0.248 18.616 19.000 -0.226 0.000 0.818 559 A HN 1.020 nan 8.150 nan 0.000 0.453 560 H N -3.420 115.474 119.070 -0.295 0.000 5.278 560 H HA 0.506 5.062 4.556 0.000 0.000 0.119 560 H C -0.505 174.486 175.328 -0.562 0.000 1.321 560 H CA -0.146 55.559 56.048 -0.572 0.000 0.304 560 H CB 0.207 29.652 29.762 -0.528 0.000 1.670 560 H HN 0.299 nan 8.280 nan 0.000 0.192 561 Y N -0.033 120.367 120.300 0.166 0.000 2.545 561 Y HA 0.441 4.991 4.550 0.000 0.000 0.324 561 Y C -0.415 175.532 175.900 0.079 0.000 1.220 561 Y CA -0.960 57.225 58.100 0.142 0.000 1.290 561 Y CB 1.457 40.006 38.460 0.147 0.000 1.355 561 Y HN 0.199 nan 8.280 nan 0.000 0.516 562 I N 1.204 121.914 120.570 0.232 0.000 2.500 562 I HA 0.241 4.411 4.170 0.000 0.000 0.286 562 I C -1.618 174.520 176.117 0.035 0.000 1.063 562 I CA -0.536 60.825 61.300 0.102 0.000 1.062 562 I CB 1.106 39.143 38.000 0.062 0.000 1.223 562 I HN 0.634 nan 8.210 nan 0.000 0.435 563 D N 6.796 127.211 120.400 0.025 0.000 2.540 563 D HA 0.542 5.182 4.640 0.000 0.000 0.251 563 D C 0.602 176.898 176.300 -0.005 0.000 1.159 563 D CA 1.112 55.098 54.000 -0.023 0.000 0.974 563 D CB 0.593 41.384 40.800 -0.015 0.000 0.996 563 D HN 0.958 nan 8.370 nan 0.000 0.512 564 G N 4.306 113.080 108.800 -0.045 0.000 2.509 564 G HA2 -0.287 3.673 3.960 0.000 0.000 0.259 564 G HA3 -0.287 3.673 3.960 0.000 0.000 0.259 564 G C -1.203 173.672 174.900 -0.041 0.000 1.169 564 G CA -0.005 45.075 45.100 -0.033 0.000 0.953 564 G HN 0.406 nan 8.290 nan 0.000 0.563 565 P HA -0.033 nan 4.420 nan 0.000 0.214 565 P C 0.615 177.769 177.300 -0.243 0.000 1.162 565 P CA 1.834 64.808 63.100 -0.210 0.000 0.879 565 P CB -0.319 31.161 31.700 -0.367 0.000 0.786 566 H N -0.776 118.251 119.070 -0.072 0.000 2.764 566 H HA 0.181 4.737 4.556 0.000 0.000 0.341 566 H C 0.219 175.500 175.328 -0.077 0.000 1.072 566 H CA -0.450 55.541 56.048 -0.096 0.000 1.444 566 H CB -0.151 29.547 29.762 -0.107 0.000 1.458 566 H HN 0.090 nan 8.280 nan 0.000 0.572 567 c N 4.405 123.014 118.600 0.014 0.000 2.325 567 c HA 0.407 4.977 4.570 0.000 0.000 0.347 567 c C 0.293 174.411 174.090 0.047 0.000 1.263 567 c CA -0.753 55.593 56.329 0.028 0.000 1.806 567 c CB -0.852 41.670 42.510 0.020 0.000 2.405 567 c HN 0.530 nan 8.230 nan 0.000 0.537 568 V N 4.031 124.002 119.914 0.095 0.000 2.881 568 V HA 0.360 4.480 4.120 0.000 0.000 0.316 568 V C 1.051 177.241 176.094 0.159 0.000 1.070 568 V CA -0.688 61.678 62.300 0.110 0.000 0.976 568 V CB 1.748 33.621 31.823 0.083 0.000 1.038 568 V HN 0.917 nan 8.190 nan 0.000 0.446 569 K N 1.080 121.552 120.400 0.120 0.000 2.031 569 K HA -0.001 4.319 4.320 0.000 0.000 0.205 569 K C 0.507 177.159 176.600 0.087 0.000 1.049 569 K CA 1.586 57.886 56.287 0.021 0.000 0.939 569 K CB 0.200 32.681 32.500 -0.032 0.000 0.717 569 K HN 0.946 nan 8.250 nan 0.000 0.438 570 T N -1.487 113.159 114.554 0.154 0.000 2.952 570 T HA 0.342 4.692 4.350 0.000 0.000 0.305 570 T C -0.250 174.494 174.700 0.073 0.000 1.064 570 T CA -1.077 61.147 62.100 0.207 0.000 1.008 570 T CB 1.056 69.988 68.868 0.107 0.000 1.078 570 T HN 0.097 nan 8.240 nan 0.000 0.459 571 c N 4.181 122.755 118.600 -0.044 0.000 2.597 571 c HA 0.224 4.794 4.570 0.000 0.000 0.412 571 c C -1.592 172.469 174.090 -0.049 0.000 1.348 571 c CA -0.391 55.893 56.329 -0.074 0.000 1.769 571 c CB -0.966 41.449 42.510 -0.158 0.000 2.641 571 c HN 0.691 nan 8.230 nan 0.000 0.612 572 P HA 0.255 nan 4.420 nan 0.000 0.264 572 P C -0.479 176.728 177.300 -0.155 0.000 1.183 572 P CA 0.677 63.711 63.100 -0.111 0.000 0.763 572 P CB 0.358 31.985 31.700 -0.121 0.000 0.807 573 A N 2.744 125.400 122.820 -0.274 0.000 3.409 573 A HA 0.589 4.909 4.320 0.000 0.000 0.282 573 A C 0.659 177.668 177.584 -0.959 0.000 1.064 573 A CA 0.276 51.986 52.037 -0.545 0.000 0.889 573 A CB -0.394 18.547 19.000 -0.098 0.000 1.251 573 A HN 0.679 nan 8.150 nan 0.000 0.538 574 G N -0.762 107.460 108.800 -0.964 0.000 2.870 574 G HA2 0.064 4.024 3.960 0.000 0.000 0.216 574 G HA3 0.064 4.024 3.960 0.000 0.000 0.216 574 G C 0.026 174.691 174.900 -0.391 0.000 0.973 574 G CA 0.149 44.824 45.100 -0.708 0.000 0.807 574 G HN 0.929 nan 8.290 nan 0.000 0.573 575 V N 2.416 122.125 119.914 -0.342 0.000 2.599 575 V HA 0.402 4.522 4.120 0.000 0.000 0.300 575 V C 1.139 177.130 176.094 -0.172 0.000 1.034 575 V CA 0.180 62.354 62.300 -0.210 0.000 1.115 575 V CB 1.175 32.894 31.823 -0.173 0.000 0.934 575 V HN 0.498 nan 8.190 nan 0.000 0.485 576 M N 5.468 124.996 119.600 -0.120 0.000 2.239 576 M HA 0.479 4.959 4.480 0.000 0.000 0.348 576 M C 0.477 176.734 176.300 -0.072 0.000 1.239 576 M CA 0.767 56.016 55.300 -0.086 0.000 1.114 576 M CB 0.336 32.898 32.600 -0.063 0.000 1.641 576 M HN 0.767 nan 8.290 nan 0.000 0.453 577 G N 2.770 111.537 108.800 -0.055 0.000 3.212 577 G HA2 0.520 4.480 3.960 0.000 0.000 0.188 577 G HA3 0.520 4.480 3.960 0.000 0.000 0.188 577 G C -1.336 173.548 174.900 -0.026 0.000 1.254 577 G CA -0.513 44.563 45.100 -0.040 0.000 0.957 577 G HN 0.660 nan 8.290 nan 0.000 0.596 578 E N -0.596 119.593 120.200 -0.018 0.000 2.319 578 E HA 0.326 4.676 4.350 0.000 0.000 0.268 578 E C 0.508 177.104 176.600 -0.008 0.000 1.050 578 E CA -0.114 56.279 56.400 -0.013 0.000 0.878 578 E CB 0.854 30.548 29.700 -0.010 0.000 1.066 578 E HN 0.492 nan 8.360 nan 0.000 0.406 579 N N 2.854 121.550 118.700 -0.006 0.000 2.741 579 N HA -0.298 4.442 4.740 0.000 0.000 0.250 579 N C -0.478 175.031 175.510 -0.002 0.000 1.115 579 N CA 1.279 54.327 53.050 -0.003 0.000 0.724 579 N CB -1.387 37.099 38.487 -0.001 0.000 1.090 579 N HN 0.684 nan 8.380 nan 0.000 0.558 580 N N -2.371 116.325 118.700 -0.006 0.000 2.753 580 N HA -0.182 4.558 4.740 0.000 0.000 0.251 580 N C -1.293 174.217 175.510 -0.000 0.000 1.097 580 N CA 1.681 54.728 53.050 -0.006 0.000 0.786 580 N CB -1.514 36.971 38.487 -0.003 0.000 1.137 580 N HN 0.520 nan 8.380 nan 0.000 0.566 581 T N 1.426 115.981 114.554 0.002 0.000 2.780 581 T HA 0.445 4.795 4.350 0.000 0.000 0.294 581 T C 0.634 175.341 174.700 0.012 0.000 0.949 581 T CA -0.583 61.528 62.100 0.018 0.000 1.074 581 T CB 0.847 69.728 68.868 0.022 0.000 0.910 581 T HN 0.108 nan 8.240 nan 0.000 0.501 582 L N 3.411 124.657 121.223 0.038 0.000 2.473 582 L HA 0.309 4.649 4.340 0.000 0.000 0.268 582 L C 0.198 177.053 176.870 -0.025 0.000 1.215 582 L CA 0.086 54.918 54.840 -0.014 0.000 0.823 582 L CB 0.265 42.365 42.059 0.069 0.000 1.099 582 L HN 0.328 nan 8.230 nan 0.000 0.483 583 V N 0.689 120.465 119.914 -0.230 0.000 2.448 583 V HA 0.421 4.541 4.120 0.000 0.000 0.295 583 V C -1.043 174.827 176.094 -0.372 0.000 1.025 583 V CA -0.569 61.632 62.300 -0.166 0.000 0.859 583 V CB 1.330 33.074 31.823 -0.131 0.000 0.988 583 V HN 0.644 nan 8.190 nan 0.000 0.431 584 W N 3.950 125.260 121.300 0.017 0.000 2.785 584 W HA 0.743 5.403 4.660 0.000 0.000 0.333 584 W C -0.079 176.475 176.519 0.058 0.000 1.062 584 W CA -0.645 56.721 57.345 0.035 0.000 1.233 584 W CB 1.805 31.295 29.460 0.049 0.000 1.413 584 W HN 0.289 nan 8.180 nan 0.000 0.489 585 K N 1.644 122.195 120.400 0.250 0.000 2.444 585 K HA 0.624 4.944 4.320 0.000 0.000 0.252 585 K C -1.567 175.146 176.600 0.189 0.000 0.993 585 K CA -1.328 55.051 56.287 0.155 0.000 0.847 585 K CB 2.860 35.357 32.500 -0.005 0.000 1.340 585 K HN 0.490 nan 8.250 nan 0.000 0.446 586 Y N -1.875 118.460 120.300 0.057 0.000 2.492 586 Y HA 0.729 5.279 4.550 0.000 0.000 0.346 586 Y C -1.050 174.847 175.900 -0.005 0.000 0.997 586 Y CA -1.366 56.740 58.100 0.011 0.000 1.025 586 Y CB 1.292 39.776 38.460 0.041 0.000 1.263 586 Y HN 0.580 nan 8.280 nan 0.000 0.454 587 A N 2.827 125.632 122.820 -0.025 0.000 2.354 587 A HA 0.464 4.784 4.320 0.000 0.000 0.269 587 A C -0.458 177.214 177.584 0.147 0.000 1.109 587 A CA 0.013 52.024 52.037 -0.044 0.000 0.800 587 A CB 0.635 19.524 19.000 -0.186 0.000 1.045 587 A HN 0.935 nan 8.150 nan 0.000 0.489 588 D N 0.669 121.146 120.400 0.129 0.000 2.730 588 D HA 0.591 5.231 4.640 0.000 0.000 0.202 588 D C 1.715 178.041 176.300 0.043 0.000 1.283 588 D CA 0.543 54.636 54.000 0.155 0.000 1.159 588 D CB 0.601 41.509 40.800 0.179 0.000 1.167 588 D HN 0.411 nan 8.370 nan 0.000 0.557 589 A N -0.257 122.591 122.820 0.048 0.000 1.824 589 A HA 0.092 4.412 4.320 0.000 0.000 0.215 589 A C 1.753 179.330 177.584 -0.012 0.000 1.209 589 A CA 2.101 54.143 52.037 0.009 0.000 0.614 589 A CB -1.401 17.619 19.000 0.033 0.000 0.852 589 A HN 0.456 nan 8.150 nan 0.000 0.447 590 G N -1.992 106.847 108.800 0.065 0.000 3.375 590 G HA2 0.302 4.263 3.960 0.000 0.000 0.247 590 G HA3 0.302 4.263 3.960 0.000 0.000 0.247 590 G C 0.294 175.331 174.900 0.228 0.000 1.343 590 G CA 0.446 45.623 45.100 0.128 0.000 1.368 590 G HN 0.654 nan 8.290 nan 0.000 0.549 591 H N -2.138 117.032 119.070 0.167 0.000 2.884 591 H HA -0.166 4.390 4.556 0.000 0.000 0.289 591 H C 0.352 175.810 175.328 0.217 0.000 1.142 591 H CA 0.830 57.041 56.048 0.272 0.000 1.158 591 H CB -1.889 28.017 29.762 0.241 0.000 1.325 591 H HN 0.280 nan 8.280 nan 0.000 0.366 592 V N 0.947 120.974 119.914 0.188 0.000 2.583 592 V HA 0.060 4.180 4.120 0.000 0.000 0.287 592 V C 1.229 177.260 176.094 -0.105 0.000 1.051 592 V CA -0.214 62.112 62.300 0.044 0.000 1.010 592 V CB 1.738 33.588 31.823 0.045 0.000 0.988 592 V HN 0.342 nan 8.190 nan 0.000 0.478 593 c N 5.485 123.937 118.600 -0.247 0.000 2.435 593 c HA 0.528 5.098 4.570 0.000 0.000 0.375 593 c C 0.154 173.881 174.090 -0.606 0.000 1.281 593 c CA -0.458 55.677 56.329 -0.322 0.000 1.963 593 c CB -0.974 41.427 42.510 -0.183 0.000 2.490 593 c HN 0.859 nan 8.230 nan 0.000 0.557 594 H N 1.676 120.492 119.070 -0.423 0.000 2.768 594 H HA 0.369 4.925 4.556 0.000 0.000 0.371 594 H C -0.660 174.523 175.328 -0.242 0.000 1.151 594 H CA -0.630 55.199 56.048 -0.364 0.000 1.165 594 H CB 1.432 30.909 29.762 -0.476 0.000 1.722 594 H HN 0.482 nan 8.280 nan 0.000 0.543 595 L N 1.982 123.243 121.223 0.062 0.000 2.462 595 L HA 0.014 4.354 4.340 0.000 0.000 0.272 595 L C 0.646 177.668 176.870 0.254 0.000 1.166 595 L CA -0.097 54.818 54.840 0.124 0.000 0.880 595 L CB 0.116 42.227 42.059 0.087 0.000 1.142 595 L HN 0.497 nan 8.230 nan 0.000 0.473 596 c N 2.159 120.951 118.600 0.321 0.000 2.640 596 c HA 0.052 4.622 4.570 0.000 0.000 0.330 596 c C 0.996 175.226 174.090 0.234 0.000 1.416 596 c CA -0.695 55.847 56.329 0.355 0.000 2.396 596 c CB -0.131 42.568 42.510 0.315 0.000 2.330 596 c HN 0.605 nan 8.230 nan 0.000 0.704 597 H N 1.474 120.607 119.070 0.105 0.000 2.803 597 H HA 0.087 4.643 4.556 0.000 0.000 0.330 597 H C -1.523 173.839 175.328 0.056 0.000 1.057 597 H CA -0.683 55.402 56.048 0.061 0.000 1.458 597 H CB 0.975 30.748 29.762 0.018 0.000 1.470 597 H HN 0.360 nan 8.280 nan 0.000 0.560 598 P HA -0.136 nan 4.420 nan 0.000 0.222 598 P C 0.762 178.105 177.300 0.071 0.000 1.142 598 P CA 0.956 64.049 63.100 -0.011 0.000 0.788 598 P CB 0.431 32.073 31.700 -0.097 0.000 0.767 599 N N -1.189 117.636 118.700 0.208 0.000 2.216 599 N HA -0.066 4.674 4.740 0.000 0.000 0.183 599 N C 0.178 175.718 175.510 0.051 0.000 1.017 599 N CA 0.521 53.667 53.050 0.161 0.000 0.861 599 N CB -1.145 37.478 38.487 0.227 0.000 0.986 599 N HN 0.107 nan 8.380 nan 0.000 0.428 600 c N 2.056 120.682 118.600 0.043 0.000 2.663 600 c HA 0.080 4.650 4.570 0.000 0.000 0.379 600 c C 1.796 175.733 174.090 -0.255 0.000 1.255 600 c CA -0.151 56.132 56.329 -0.077 0.000 1.503 600 c CB -1.591 40.875 42.510 -0.073 0.000 2.187 600 c HN 0.417 nan 8.230 nan 0.000 0.580 601 T N 0.998 115.364 114.554 -0.314 0.000 2.942 601 T HA -0.077 4.273 4.350 0.000 0.000 0.265 601 T C 0.854 175.031 174.700 -0.872 0.000 1.062 601 T CA 1.391 63.188 62.100 -0.504 0.000 1.139 601 T CB -0.151 68.395 68.868 -0.536 0.000 0.883 601 T HN 0.764 nan 8.240 nan 0.000 0.468 602 Y N 1.658 121.631 120.300 -0.545 0.000 2.470 602 Y HA 0.435 4.985 4.550 0.000 0.000 0.302 602 Y C 1.632 176.968 175.900 -0.940 0.000 1.194 602 Y CA -0.277 57.436 58.100 -0.645 0.000 1.271 602 Y CB -0.645 37.625 38.460 -0.317 0.000 1.092 602 Y HN 0.333 nan 8.280 nan 0.000 0.513 603 G N 0.217 108.306 108.800 -1.184 0.000 2.782 603 G HA2 -0.153 3.807 3.960 0.000 0.000 0.228 603 G HA3 -0.153 3.807 3.960 0.000 0.000 0.228 603 G C -0.768 173.991 174.900 -0.234 0.000 1.372 603 G CA -0.893 43.759 45.100 -0.747 0.000 0.862 603 G HN 0.823 nan 8.290 nan 0.000 0.547 604 c N -2.893 115.682 118.600 -0.042 0.000 2.752 604 c HA 0.772 5.342 4.570 0.000 0.000 0.360 604 c C 1.159 175.242 174.090 -0.012 0.000 1.081 604 c CA 0.385 56.690 56.329 -0.040 0.000 1.272 604 c CB 0.890 43.371 42.510 -0.049 0.000 1.754 604 c HN 1.974 nan 8.230 nan 0.000 0.483 605 T N -0.495 114.029 114.554 -0.050 0.000 3.194 605 T HA 0.492 4.842 4.350 0.000 0.000 0.251 605 T C 0.737 175.355 174.700 -0.135 0.000 1.132 605 T CA 0.785 62.865 62.100 -0.033 0.000 1.028 605 T CB -0.276 68.580 68.868 -0.021 0.000 0.976 605 T HN 1.822 nan 8.240 nan 0.000 0.535 606 G N 0.855 109.463 108.800 -0.319 0.000 2.608 606 G HA2 0.579 4.539 3.960 0.000 0.000 0.291 606 G HA3 0.579 4.539 3.960 0.000 0.000 0.291 606 G C -3.459 170.940 174.900 -0.833 0.000 1.425 606 G CA -1.539 43.210 45.100 -0.585 0.000 0.787 606 G HN -0.089 nan 8.290 nan 0.000 0.484 607 P HA 0.405 nan 4.420 nan 0.000 0.271 607 P C 0.962 178.153 177.300 -0.181 0.000 1.216 607 P CA 1.576 64.412 63.100 -0.441 0.000 0.776 607 P CB 0.963 32.558 31.700 -0.174 0.000 0.881 608 G N 1.943 110.728 108.800 -0.025 0.000 2.633 608 G HA2 -0.295 3.665 3.960 0.000 0.000 0.263 608 G HA3 -0.295 3.665 3.960 0.000 0.000 0.263 608 G C 0.751 175.552 174.900 -0.163 0.000 1.310 608 G CA -0.041 45.034 45.100 -0.042 0.000 0.914 608 G HN 0.471 nan 8.290 nan 0.000 0.569 609 L N 0.928 121.976 121.223 -0.292 0.000 2.291 609 L HA 0.050 4.391 4.340 0.000 0.000 0.214 609 L C 2.719 179.500 176.870 -0.148 0.000 1.120 609 L CA 1.883 56.589 54.840 -0.223 0.000 0.799 609 L CB -0.485 41.424 42.059 -0.249 0.000 0.925 609 L HN 0.856 nan 8.230 nan 0.000 0.446 610 E N 0.073 120.190 120.200 -0.139 0.000 2.511 610 E HA -0.050 4.300 4.350 0.000 0.000 0.196 610 E C 1.719 178.247 176.600 -0.120 0.000 1.066 610 E CA 0.702 57.036 56.400 -0.111 0.000 0.871 610 E CB -0.010 29.634 29.700 -0.094 0.000 0.863 610 E HN 0.381 nan 8.360 nan 0.000 0.520 611 G N 1.025 109.738 108.800 -0.146 0.000 2.781 611 G HA2 -0.012 3.948 3.960 0.000 0.000 0.208 611 G HA3 -0.012 3.948 3.960 0.000 0.000 0.208 611 G C 0.556 175.377 174.900 -0.133 0.000 1.099 611 G CA 0.253 45.250 45.100 -0.172 0.000 0.776 611 G HN 0.434 nan 8.290 nan 0.000 0.532 612 c N 1.594 120.126 118.600 -0.112 0.000 2.248 612 c HA 0.650 5.220 4.570 0.000 0.000 0.320 612 c C -2.116 171.925 174.090 -0.082 0.000 1.065 612 c CA -2.872 53.403 56.329 -0.090 0.000 1.558 612 c CB 0.248 42.711 42.510 -0.079 0.000 1.787 612 c HN 0.069 nan 8.230 nan 0.000 0.426 613 P HA 0.536 nan 4.420 nan 0.000 0.274 613 P C 0.410 177.661 177.300 -0.083 0.000 1.264 613 P CA 0.379 63.434 63.100 -0.075 0.000 0.795 613 P CB 0.581 32.240 31.700 -0.067 0.000 1.064 614 T N 0.000 114.507 114.554 -0.078 0.000 3.816 614 T HA 0.000 4.350 4.350 0.000 0.000 0.228 614 T CA 0.000 62.046 62.100 -0.090 0.000 1.349 614 T CB 0.000 68.822 68.868 -0.076 0.000 0.612 614 T HN 0.000 nan 8.240 nan 0.000 0.658