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 2f83_1_A DATA FIRST_RESID 2 DATA SEQUENCE cVTQLLKDTC FEGGDITTVF TPSAKYcQVV cTYHPRcLLF TFTAESPSED DATA SEQUENCE PTRWFTcVLK DSVTETLPRV NRTAAISGYS FKQcSHQISA cNKDIYVDLD DATA SEQUENCE MKGINYNSSV AKSAQEcQER cTDDVHcHFF TYATRQFPSL EHRNIcLLKH DATA SEQUENCE TQTGTPTRIT KLDKVVSGFS LKScALSNLA cIRDIFPNTV FADSNIDSVM DATA SEQUENCE APDAFVcGRI cTHHPGcLFF TFFSQEWPKE SQRNLcLLKT SESGLPSTRI DATA SEQUENCE KKSKALSGFS LQScRHSIPV FcHSSFYHDT DFLGEELDIV AAKSHEAcQK DATA SEQUENCE LcTNAVRcQF FTYTPAQASC NEGKGKcYLK LSSNGSPTKI LHGRGGISGY DATA SEQUENCE TLRLcKMDNE cTTKIKPRIV GGTASVRGEW PWQVTLHTTS PTQRHLcGGS DATA SEQUENCE IIGNQWILTA AHcFYGVESP KILRVYSGIL NQSEIKEDTS FFGVQEIIIH DATA SEQUENCE DQYKMAESGY DIALLKLETT VNYTDSQRPI cLPSKGDRNV IYTDcWVTGW DATA SEQUENCE GXXXXXXKIQ NTLQKAKIPL VTNEEcQKRY RGHKITHKMI cAXXXXXXXX DATA SEQUENCE XXKGDSGGPL ScKHNEVWHL VGITSWGEGX XXXERPGVYT NVVEYVDWIL DATA SEQUENCE EKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 c HA 0.000 nan 4.570 nan 0.000 0.325 2 c C 0.000 174.105 174.090 0.026 0.000 1.270 2 c CA 0.000 56.329 56.329 0.001 0.000 1.963 2 c CB 0.000 42.521 42.510 0.018 0.000 2.134 3 V N 1.822 121.724 119.914 -0.021 0.000 5.817 3 V HA -0.177 3.943 4.120 0.000 0.000 0.129 3 V C 1.301 177.466 176.094 0.119 0.000 0.735 3 V CA 2.158 64.452 62.300 -0.011 0.000 0.484 3 V CB -2.008 29.687 31.823 -0.214 0.000 0.275 3 V HN 1.116 nan 8.190 nan 0.000 0.356 4 T N 3.150 117.812 114.554 0.180 0.000 2.891 4 T HA 0.531 4.881 4.350 0.000 0.000 0.294 4 T C 0.225 175.056 174.700 0.219 0.000 1.065 4 T CA 0.358 62.629 62.100 0.284 0.000 0.936 4 T CB 1.122 70.171 68.868 0.301 0.000 1.415 4 T HN 1.839 nan 8.240 nan 0.000 0.572 5 Q N 1.068 121.005 119.800 0.227 0.000 2.779 5 Q HA -0.148 4.192 4.340 0.000 0.000 0.160 5 Q C -1.129 174.948 176.000 0.129 0.000 1.477 5 Q CA -0.145 55.751 55.803 0.156 0.000 0.547 5 Q CB -1.862 26.939 28.738 0.105 0.000 0.695 5 Q HN 0.499 nan 8.270 nan 0.000 0.316 6 L N 2.578 123.870 121.223 0.116 0.000 2.456 6 L HA 0.043 4.384 4.340 0.000 0.000 0.291 6 L C 1.019 177.899 176.870 0.017 0.000 1.299 6 L CA 0.964 55.841 54.840 0.062 0.000 0.822 6 L CB -0.210 41.898 42.059 0.082 0.000 1.070 6 L HN 0.679 nan 8.230 nan 0.000 0.576 7 L N 0.903 122.095 121.223 -0.052 0.000 2.342 7 L HA 0.354 4.694 4.340 0.000 0.000 0.276 7 L C 0.110 176.932 176.870 -0.079 0.000 0.997 7 L CA -0.747 54.045 54.840 -0.080 0.000 0.838 7 L CB 1.169 43.127 42.059 -0.169 0.000 1.224 7 L HN 0.485 nan 8.230 nan 0.000 0.416 8 K N 4.189 124.563 120.400 -0.043 0.000 2.366 8 K HA -0.051 4.269 4.320 0.000 0.000 0.279 8 K C -0.431 176.135 176.600 -0.057 0.000 1.098 8 K CA 0.718 56.986 56.287 -0.032 0.000 1.087 8 K CB 0.009 32.499 32.500 -0.017 0.000 0.901 8 K HN 0.571 nan 8.250 nan 0.000 0.463 9 D N 2.790 123.157 120.400 -0.056 0.000 2.952 9 D HA -0.102 4.538 4.640 0.000 0.000 0.247 9 D C -1.506 174.740 176.300 -0.090 0.000 1.039 9 D CA 0.783 54.751 54.000 -0.054 0.000 0.838 9 D CB -0.640 40.136 40.800 -0.040 0.000 1.033 9 D HN 0.606 nan 8.370 nan 0.000 0.429 10 T N 0.642 115.120 114.554 -0.126 0.000 3.767 10 T HA 0.282 4.632 4.350 0.000 0.000 0.360 10 T C -0.377 174.170 174.700 -0.254 0.000 1.181 10 T CA -0.530 61.441 62.100 -0.215 0.000 1.110 10 T CB 1.588 70.273 68.868 -0.305 0.000 1.201 10 T HN 0.405 nan 8.240 nan 0.000 0.474 11 C N 4.796 123.965 119.300 -0.218 0.000 2.341 11 C HA 0.830 5.290 4.460 0.000 0.000 0.338 11 C C -0.190 174.660 174.990 -0.233 0.000 1.257 11 C CA -0.814 58.101 59.018 -0.171 0.000 1.883 11 C CB -1.040 26.657 27.740 -0.073 0.000 2.334 11 C HN 0.837 nan 8.230 nan 0.000 0.524 12 F N 2.915 122.797 119.950 -0.114 0.000 2.396 12 F HA 0.371 4.898 4.527 0.000 0.000 0.343 12 F C 0.738 176.495 175.800 -0.072 0.000 1.104 12 F CA 0.072 58.003 58.000 -0.115 0.000 1.161 12 F CB 0.901 39.800 39.000 -0.168 0.000 1.146 12 F HN 0.604 nan 8.300 nan 0.000 0.522 13 E N 2.504 122.795 120.200 0.152 0.000 2.152 13 E HA 0.474 4.824 4.350 0.000 0.000 0.285 13 E C 0.398 177.032 176.600 0.056 0.000 1.043 13 E CA 0.516 56.960 56.400 0.073 0.000 0.839 13 E CB 0.576 30.303 29.700 0.045 0.000 1.069 13 E HN 0.776 nan 8.360 nan 0.000 0.399 14 G N 3.173 111.995 108.800 0.037 0.000 2.593 14 G HA2 0.004 3.964 3.960 0.000 0.000 0.237 14 G HA3 0.004 3.964 3.960 0.000 0.000 0.237 14 G C 0.848 175.750 174.900 0.003 0.000 1.312 14 G CA 0.028 45.138 45.100 0.017 0.000 0.896 14 G HN 1.515 nan 8.290 nan 0.000 0.574 15 G N -1.240 107.553 108.800 -0.011 0.000 2.189 15 G HA2 -0.159 3.801 3.960 0.000 0.000 0.267 15 G HA3 -0.159 3.801 3.960 0.000 0.000 0.267 15 G C 0.219 175.100 174.900 -0.032 0.000 0.975 15 G CA 1.385 46.466 45.100 -0.031 0.000 0.644 15 G HN 1.655 nan 8.290 nan 0.000 0.537 16 D N -0.459 119.930 120.400 -0.017 0.000 2.583 16 D HA 0.310 4.950 4.640 0.000 0.000 0.232 16 D C 1.466 177.752 176.300 -0.023 0.000 1.128 16 D CA 0.956 54.944 54.000 -0.019 0.000 0.859 16 D CB 0.721 41.516 40.800 -0.008 0.000 1.169 16 D HN 0.577 nan 8.370 nan 0.000 0.481 17 I N -0.550 119.995 120.570 -0.041 0.000 4.471 17 I HA 0.284 4.454 4.170 0.000 0.000 0.326 17 I C 0.219 176.325 176.117 -0.018 0.000 1.300 17 I CA 0.409 61.689 61.300 -0.034 0.000 1.237 17 I CB 0.910 38.861 38.000 -0.082 0.000 1.195 17 I HN 0.332 nan 8.210 nan 0.000 0.427 18 T N -0.812 113.722 114.554 -0.034 0.000 2.942 18 T HA 0.325 4.675 4.350 0.000 0.000 0.340 18 T C -1.291 173.389 174.700 -0.033 0.000 1.857 18 T CA -0.191 61.902 62.100 -0.011 0.000 1.044 18 T CB 0.610 69.494 68.868 0.026 0.000 1.817 18 T HN 0.158 nan 8.240 nan 0.000 0.518 19 T N 2.073 116.609 114.554 -0.031 0.000 2.863 19 T HA 0.801 5.151 4.350 0.000 0.000 0.285 19 T C -0.068 174.573 174.700 -0.097 0.000 1.009 19 T CA -0.324 61.722 62.100 -0.091 0.000 0.989 19 T CB 1.368 70.153 68.868 -0.139 0.000 1.004 19 T HN 1.104 nan 8.240 nan 0.000 0.455 20 V N -0.662 119.156 119.914 -0.159 0.000 3.084 20 V HA 0.873 4.993 4.120 0.000 0.000 0.311 20 V C -1.869 174.056 176.094 -0.281 0.000 1.311 20 V CA -1.282 60.979 62.300 -0.066 0.000 1.062 20 V CB 1.664 33.527 31.823 0.067 0.000 1.113 20 V HN 0.700 nan 8.190 nan 0.000 0.468 21 F N 0.860 120.861 119.950 0.085 0.000 2.499 21 F HA 0.755 5.282 4.527 0.000 0.000 0.333 21 F C 0.442 176.298 175.800 0.093 0.000 1.138 21 F CA -0.095 57.964 58.000 0.098 0.000 0.945 21 F CB 2.009 41.033 39.000 0.042 0.000 1.181 21 F HN 0.870 nan 8.300 nan 0.000 0.435 22 T N -0.153 114.608 114.554 0.344 0.000 2.932 22 T HA 0.478 4.828 4.350 0.000 0.000 0.289 22 T C -2.315 172.530 174.700 0.242 0.000 1.039 22 T CA -2.370 59.886 62.100 0.260 0.000 1.024 22 T CB 2.451 71.517 68.868 0.331 0.000 1.090 22 T HN 0.302 nan 8.240 nan 0.000 0.496 23 P HA 0.146 nan 4.420 nan 0.000 0.249 23 P C -0.009 177.344 177.300 0.089 0.000 1.229 23 P CA -0.038 62.838 63.100 -0.374 0.000 0.788 23 P CB 0.014 30.924 31.700 -1.317 0.000 1.072 24 S N -2.802 112.931 115.700 0.056 0.000 2.565 24 S HA 0.580 5.050 4.470 0.000 0.000 0.274 24 S C 0.823 174.890 174.600 -0.888 0.000 1.144 24 S CA -0.221 57.828 58.200 -0.252 0.000 0.849 24 S CB 0.880 64.135 63.200 0.091 0.000 1.103 24 S HN -0.043 nan 8.310 nan 0.000 0.455 25 A N 1.648 123.701 122.820 -1.278 0.000 1.933 25 A HA -0.045 4.275 4.320 0.000 0.000 0.218 25 A C 1.967 179.344 177.584 -0.346 0.000 1.175 25 A CA 1.942 53.448 52.037 -0.886 0.000 0.628 25 A CB -0.878 17.919 19.000 -0.338 0.000 0.814 25 A HN 0.904 nan 8.150 nan 0.000 0.444 26 K N -1.978 118.325 120.400 -0.161 0.000 2.113 26 K HA -0.224 4.096 4.320 0.000 0.000 0.208 26 K C 1.850 178.429 176.600 -0.035 0.000 1.047 26 K CA 1.914 58.193 56.287 -0.014 0.000 0.928 26 K CB -0.333 32.210 32.500 0.073 0.000 0.716 26 K HN 0.576 nan 8.250 nan 0.000 0.446 27 Y N 0.430 120.648 120.300 -0.137 0.000 2.153 27 Y HA -0.253 4.297 4.550 0.000 0.000 0.289 27 Y C 2.562 178.318 175.900 -0.241 0.000 1.119 27 Y CA 1.450 59.481 58.100 -0.115 0.000 1.116 27 Y CB -0.772 37.661 38.460 -0.045 0.000 1.004 27 Y HN 0.279 nan 8.280 nan 0.000 0.501 28 c N 0.869 119.348 118.600 -0.201 0.000 2.385 28 c HA -0.334 4.236 4.570 0.000 0.000 0.275 28 c C 2.753 176.374 174.090 -0.782 0.000 1.199 28 c CA 2.326 58.403 56.329 -0.420 0.000 1.782 28 c CB -1.356 40.874 42.510 -0.467 0.000 2.068 28 c HN 0.737 nan 8.230 nan 0.000 0.471 29 Q N -0.475 118.794 119.800 -0.884 0.000 2.061 29 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 29 Q C 2.260 177.978 176.000 -0.471 0.000 0.984 29 Q CA 2.647 58.023 55.803 -0.712 0.000 0.846 29 Q CB -0.094 28.456 28.738 -0.314 0.000 0.902 29 Q HN 0.680 nan 8.270 nan 0.000 0.421 30 V N -0.057 119.628 119.914 -0.382 0.000 2.255 30 V HA -0.266 3.854 4.120 0.000 0.000 0.247 30 V C 2.367 178.343 176.094 -0.196 0.000 1.051 30 V CA 1.597 63.752 62.300 -0.242 0.000 1.018 30 V CB -0.622 30.963 31.823 -0.396 0.000 0.641 30 V HN 0.248 nan 8.190 nan 0.000 0.445 31 V N -0.754 118.952 119.914 -0.347 0.000 2.282 31 V HA -0.363 3.757 4.120 0.000 0.000 0.249 31 V C 2.609 178.664 176.094 -0.065 0.000 1.057 31 V CA 2.510 64.703 62.300 -0.179 0.000 1.032 31 V CB -0.630 31.107 31.823 -0.142 0.000 0.645 31 V HN 0.816 nan 8.190 nan 0.000 0.447 32 c N -0.442 118.055 118.600 -0.171 0.000 2.432 32 c HA -0.187 4.383 4.570 0.000 0.000 0.277 32 c C 2.988 177.058 174.090 -0.033 0.000 1.249 32 c CA 2.033 58.304 56.329 -0.097 0.000 1.725 32 c CB -1.236 41.207 42.510 -0.112 0.000 2.028 32 c HN 0.676 nan 8.230 nan 0.000 0.477 33 T N -0.399 114.091 114.554 -0.107 0.000 2.607 33 T HA -0.208 4.142 4.350 0.000 0.000 0.267 33 T C 1.417 176.035 174.700 -0.136 0.000 1.049 33 T CA 2.321 64.338 62.100 -0.138 0.000 1.162 33 T CB -0.645 68.113 68.868 -0.184 0.000 0.863 33 T HN 0.675 nan 8.240 nan 0.000 0.424 34 Y N 0.638 120.890 120.300 -0.080 0.000 2.574 34 Y HA -0.010 4.540 4.550 0.000 0.000 0.294 34 Y C 1.436 177.359 175.900 0.038 0.000 1.142 34 Y CA 0.379 58.443 58.100 -0.061 0.000 1.314 34 Y CB -0.275 38.125 38.460 -0.100 0.000 0.991 34 Y HN 0.318 nan 8.280 nan 0.000 0.555 35 H N 2.945 122.060 119.070 0.076 0.000 2.803 35 H HA 0.008 4.564 4.556 0.000 0.000 0.330 35 H C -1.550 173.809 175.328 0.052 0.000 1.057 35 H CA -1.836 54.249 56.048 0.062 0.000 1.458 35 H CB 1.471 31.250 29.762 0.028 0.000 1.470 35 H HN 0.052 nan 8.280 nan 0.000 0.560 36 P HA -0.174 nan 4.420 nan 0.000 0.216 36 P C 0.985 178.394 177.300 0.182 0.000 1.150 36 P CA 1.536 64.661 63.100 0.041 0.000 0.843 36 P CB 0.435 32.097 31.700 -0.064 0.000 0.787 37 R N -2.300 118.464 120.500 0.439 0.000 2.344 37 R HA 0.133 4.473 4.340 0.000 0.000 0.209 37 R C 2.456 178.838 176.300 0.136 0.000 0.886 37 R CA -0.121 56.136 56.100 0.262 0.000 1.040 37 R CB -0.680 29.757 30.300 0.229 0.000 1.114 37 R HN 0.149 nan 8.270 nan 0.000 0.547 38 c N 0.929 119.591 118.600 0.103 0.000 2.458 38 c HA -0.198 4.372 4.570 0.000 0.000 0.284 38 c C 2.299 176.372 174.090 -0.027 0.000 1.191 38 c CA 2.096 58.368 56.329 -0.094 0.000 1.781 38 c CB -0.966 41.453 42.510 -0.151 0.000 1.996 38 c HN 0.728 nan 8.230 nan 0.000 0.431 39 L N -2.671 118.557 121.223 0.009 0.000 5.121 39 L HA -0.222 4.118 4.340 0.000 0.000 0.402 39 L C 0.029 176.913 176.870 0.024 0.000 0.826 39 L CA 1.834 56.684 54.840 0.017 0.000 2.021 39 L CB -1.345 40.717 42.059 0.005 0.000 1.272 39 L HN 0.570 nan 8.230 nan 0.000 0.617 40 L N -0.560 120.637 121.223 -0.045 0.000 2.250 40 L HA 0.826 5.166 4.340 0.000 0.000 0.252 40 L C -0.678 176.188 176.870 -0.007 0.000 1.054 40 L CA -0.338 54.376 54.840 -0.209 0.000 0.856 40 L CB 2.121 43.913 42.059 -0.445 0.000 1.443 40 L HN 0.337 nan 8.230 nan 0.000 0.427 41 F N -1.624 118.221 119.950 -0.175 0.000 2.919 41 F HA 0.498 5.025 4.527 0.000 0.000 0.330 41 F C -1.867 174.036 175.800 0.170 0.000 1.136 41 F CA -0.686 57.313 58.000 -0.003 0.000 0.901 41 F CB 1.175 40.157 39.000 -0.032 0.000 1.321 41 F HN 0.246 nan 8.300 nan 0.000 0.449 42 T N 2.819 117.639 114.554 0.443 0.000 3.071 42 T HA 0.579 4.929 4.350 0.000 0.000 0.311 42 T C -2.125 172.842 174.700 0.446 0.000 1.042 42 T CA -0.403 61.872 62.100 0.292 0.000 1.028 42 T CB 1.343 70.283 68.868 0.120 0.000 1.068 42 T HN 0.798 nan 8.240 nan 0.000 0.451 43 F N 2.204 122.310 119.950 0.259 0.000 2.532 43 F HA 0.686 5.213 4.527 0.000 0.000 0.321 43 F C -0.255 175.584 175.800 0.065 0.000 1.089 43 F CA -0.431 57.666 58.000 0.162 0.000 0.926 43 F CB 1.767 40.888 39.000 0.203 0.000 1.168 43 F HN 0.393 nan 8.300 nan 0.000 0.459 44 T N 5.289 119.395 114.554 -0.747 0.000 2.767 44 T HA 0.708 5.058 4.350 0.000 0.000 0.288 44 T C -0.252 173.874 174.700 -0.957 0.000 0.963 44 T CA -0.272 61.468 62.100 -0.600 0.000 1.019 44 T CB 0.855 69.509 68.868 -0.356 0.000 0.923 44 T HN 0.788 nan 8.240 nan 0.000 0.468 45 A N 2.709 125.258 122.820 -0.453 0.000 2.294 45 A HA 0.602 4.922 4.320 0.000 0.000 0.330 45 A C 0.176 177.255 177.584 -0.840 0.000 1.133 45 A CA -0.860 50.908 52.037 -0.448 0.000 0.836 45 A CB 0.545 19.510 19.000 -0.058 0.000 1.190 45 A HN 0.853 nan 8.150 nan 0.000 0.492 46 E N 0.724 120.160 120.200 -1.274 0.000 2.415 46 E HA 0.342 4.692 4.350 0.000 0.000 0.260 46 E C -0.198 175.721 176.600 -1.135 0.000 1.016 46 E CA 0.613 55.675 56.400 -2.231 0.000 0.924 46 E CB 0.184 28.832 29.700 -1.754 0.000 0.961 46 E HN 0.804 nan 8.360 nan 0.000 0.459 47 S N 3.159 118.457 115.700 -0.670 0.000 2.578 47 S HA 0.314 4.784 4.470 0.000 0.000 0.272 47 S C -2.409 172.379 174.600 0.313 0.000 1.145 47 S CA -0.998 57.167 58.200 -0.059 0.000 0.835 47 S CB 1.808 64.971 63.200 -0.062 0.000 1.104 47 S HN 0.433 nan 8.310 nan 0.000 0.458 48 P HA 0.032 nan 4.420 nan 0.000 0.226 48 P C 1.112 178.488 177.300 0.127 0.000 1.153 48 P CA 0.822 64.024 63.100 0.171 0.000 0.777 48 P CB -0.218 31.540 31.700 0.098 0.000 0.794 49 S N -0.885 114.882 115.700 0.111 0.000 2.469 49 S HA -0.031 4.439 4.470 0.000 0.000 0.238 49 S C 0.945 175.596 174.600 0.086 0.000 0.998 49 S CA 0.964 59.208 58.200 0.073 0.000 0.957 49 S CB -0.168 63.060 63.200 0.047 0.000 0.764 49 S HN 0.265 nan 8.310 nan 0.000 0.514 50 E N 0.739 121.038 120.200 0.165 0.000 2.445 50 E HA 0.296 4.646 4.350 0.000 0.000 0.273 50 E C -1.333 175.262 176.600 -0.009 0.000 0.961 50 E CA -0.681 55.788 56.400 0.116 0.000 0.807 50 E CB 1.343 31.171 29.700 0.212 0.000 1.362 50 E HN 0.167 nan 8.360 nan 0.000 0.453 51 D N -0.680 119.581 120.400 -0.232 0.000 2.432 51 D HA 0.247 4.887 4.640 0.000 0.000 0.258 51 D C -2.016 173.633 176.300 -1.085 0.000 1.146 51 D CA -1.695 52.033 54.000 -0.454 0.000 1.015 51 D CB 0.045 40.675 40.800 -0.283 0.000 1.107 51 D HN -0.074 nan 8.370 nan 0.000 0.529 52 P HA -0.102 nan 4.420 nan 0.000 0.215 52 P C 0.310 177.194 177.300 -0.694 0.000 1.157 52 P CA 2.013 64.371 63.100 -1.237 0.000 0.874 52 P CB -0.239 31.113 31.700 -0.579 0.000 0.790 53 T N -3.150 111.181 114.554 -0.371 0.000 2.748 53 T HA 0.152 4.502 4.350 0.000 0.000 0.304 53 T C 0.949 175.595 174.700 -0.091 0.000 1.041 53 T CA -0.206 61.822 62.100 -0.120 0.000 1.033 53 T CB 0.671 69.497 68.868 -0.070 0.000 0.995 53 T HN 0.160 nan 8.240 nan 0.000 0.536 54 R N -1.362 119.194 120.500 0.092 0.000 3.870 54 R HA -0.133 4.207 4.340 0.000 0.000 0.463 54 R C -0.652 175.710 176.300 0.103 0.000 0.790 54 R CA 1.016 57.156 56.100 0.066 0.000 1.576 54 R CB -1.379 28.912 30.300 -0.014 0.000 2.233 54 R HN 0.704 nan 8.270 nan 0.000 0.463 55 W N 1.511 122.756 121.300 -0.091 0.000 2.210 55 W HA 0.199 4.859 4.660 0.000 0.000 0.330 55 W C 0.769 177.146 176.519 -0.237 0.000 1.334 55 W CA 1.113 58.240 57.345 -0.364 0.000 1.227 55 W CB -0.406 28.797 29.460 -0.428 0.000 1.178 55 W HN 0.221 nan 8.180 nan 0.000 0.560 56 F N -0.152 119.698 119.950 -0.167 0.000 2.884 56 F HA -0.260 4.267 4.527 0.000 0.000 0.294 56 F C 0.873 176.522 175.800 -0.252 0.000 0.723 56 F CA 0.723 58.587 58.000 -0.226 0.000 1.294 56 F CB -2.170 36.941 39.000 0.185 0.000 1.551 56 F HN 0.154 nan 8.300 nan 0.000 0.363 57 T N 0.945 115.312 114.554 -0.311 0.000 2.752 57 T HA 0.334 4.684 4.350 0.000 0.000 0.295 57 T C 0.006 174.531 174.700 -0.292 0.000 0.923 57 T CA -0.001 61.847 62.100 -0.419 0.000 1.112 57 T CB 0.564 69.238 68.868 -0.324 0.000 0.884 57 T HN 0.419 nan 8.240 nan 0.000 0.525 58 c N 7.215 125.710 118.600 -0.175 0.000 2.239 58 c HA 0.619 5.189 4.570 0.000 0.000 0.323 58 c C -0.081 173.992 174.090 -0.029 0.000 1.205 58 c CA -0.675 55.681 56.329 0.046 0.000 1.584 58 c CB -1.355 41.237 42.510 0.138 0.000 2.201 58 c HN 0.651 nan 8.230 nan 0.000 0.475 59 V N 8.530 128.465 119.914 0.035 0.000 2.364 59 V HA 0.284 4.404 4.120 0.000 0.000 0.272 59 V C 0.259 176.388 176.094 0.059 0.000 1.036 59 V CA -0.116 62.195 62.300 0.017 0.000 0.880 59 V CB 1.010 32.847 31.823 0.024 0.000 0.991 59 V HN 0.736 nan 8.190 nan 0.000 0.460 60 L N 6.384 127.595 121.223 -0.019 0.000 2.281 60 L HA 0.483 4.823 4.340 0.000 0.000 0.285 60 L C 0.249 177.072 176.870 -0.078 0.000 1.074 60 L CA -0.160 54.642 54.840 -0.063 0.000 0.817 60 L CB 0.539 42.466 42.059 -0.220 0.000 1.168 60 L HN 0.587 nan 8.230 nan 0.000 0.434 61 K N 2.154 122.522 120.400 -0.053 0.000 2.295 61 K HA 0.659 4.979 4.320 0.000 0.000 0.239 61 K C -1.230 175.305 176.600 -0.108 0.000 0.991 61 K CA -0.927 55.312 56.287 -0.080 0.000 0.845 61 K CB 2.137 34.586 32.500 -0.086 0.000 1.197 61 K HN 0.388 nan 8.250 nan 0.000 0.441 62 D N 0.084 120.429 120.400 -0.093 0.000 2.736 62 D HA 0.419 5.059 4.640 0.000 0.000 0.223 62 D C -1.737 174.523 176.300 -0.067 0.000 1.231 62 D CA -0.297 53.658 54.000 -0.076 0.000 0.818 62 D CB 1.822 42.596 40.800 -0.043 0.000 1.587 62 D HN 0.536 nan 8.370 nan 0.000 0.463 63 S N 0.394 116.057 115.700 -0.062 0.000 2.587 63 S HA 0.662 5.132 4.470 0.000 0.000 0.269 63 S C -0.575 174.003 174.600 -0.035 0.000 1.154 63 S CA -0.733 57.438 58.200 -0.048 0.000 0.824 63 S CB 0.545 63.708 63.200 -0.063 0.000 1.118 63 S HN 0.297 nan 8.310 nan 0.000 0.462 64 V N 1.453 121.352 119.914 -0.024 0.000 3.751 64 V HA 0.445 4.565 4.120 0.000 0.000 0.274 64 V C 2.284 178.365 176.094 -0.021 0.000 0.960 64 V CA 0.577 62.865 62.300 -0.019 0.000 0.960 64 V CB -0.117 31.699 31.823 -0.013 0.000 1.244 64 V HN 2.118 nan 8.190 nan 0.000 0.417 65 T N -2.409 112.135 114.554 -0.017 0.000 10.649 65 T HA -0.426 3.924 4.350 0.000 0.000 0.405 65 T C 0.636 175.324 174.700 -0.020 0.000 1.545 65 T CA 2.041 64.132 62.100 -0.014 0.000 2.508 65 T CB -1.862 67.001 68.868 -0.009 0.000 2.850 65 T HN 1.274 nan 8.240 nan 0.000 1.062 66 E N 0.558 120.742 120.200 -0.027 0.000 3.286 66 E HA -0.179 4.171 4.350 0.000 0.000 0.292 66 E C 0.200 176.789 176.600 -0.018 0.000 0.928 66 E CA 1.094 57.476 56.400 -0.030 0.000 0.982 66 E CB -2.099 27.581 29.700 -0.035 0.000 1.500 66 E HN 1.046 nan 8.360 nan 0.000 0.441 67 T N -1.259 113.275 114.554 -0.032 0.000 2.739 67 T HA 0.660 5.010 4.350 0.000 0.000 0.303 67 T C -2.037 172.608 174.700 -0.091 0.000 1.389 67 T CA -0.796 61.284 62.100 -0.033 0.000 1.001 67 T CB 1.671 70.590 68.868 0.085 0.000 1.436 67 T HN 0.020 nan 8.240 nan 0.000 0.500 68 L N 1.483 122.645 121.223 -0.101 0.000 2.359 68 L HA 0.698 5.038 4.340 0.000 0.000 0.256 68 L C -2.453 174.575 176.870 0.263 0.000 1.026 68 L CA -2.212 52.650 54.840 0.037 0.000 0.828 68 L CB 1.712 43.737 42.059 -0.057 0.000 1.406 68 L HN 0.480 nan 8.230 nan 0.000 0.413 69 P HA 0.262 nan 4.420 nan 0.000 0.271 69 P C -0.853 176.523 177.300 0.127 0.000 1.233 69 P CA -0.135 63.044 63.100 0.133 0.000 0.764 69 P CB 0.348 32.091 31.700 0.072 0.000 0.825 70 R N 1.764 122.291 120.500 0.046 0.000 2.531 70 R HA 0.662 5.002 4.340 0.000 0.000 0.273 70 R C -0.423 175.819 176.300 -0.097 0.000 1.070 70 R CA -0.766 55.258 56.100 -0.126 0.000 1.112 70 R CB 0.982 31.190 30.300 -0.153 0.000 1.049 70 R HN 0.285 nan 8.270 nan 0.000 0.508 71 V N 1.760 121.587 119.914 -0.145 0.000 3.023 71 V HA 0.198 4.318 4.120 0.000 0.000 0.294 71 V C -1.492 174.538 176.094 -0.107 0.000 1.324 71 V CA -1.010 61.234 62.300 -0.093 0.000 0.979 71 V CB 2.476 34.264 31.823 -0.059 0.000 1.093 71 V HN 0.770 nan 8.190 nan 0.000 0.434 72 N N 5.157 123.812 118.700 -0.076 0.000 2.520 72 N HA 0.514 5.254 4.740 0.000 0.000 0.273 72 N C -0.601 174.875 175.510 -0.056 0.000 1.155 72 N CA -0.191 52.818 53.050 -0.068 0.000 0.967 72 N CB 1.014 39.472 38.487 -0.049 0.000 1.092 72 N HN 0.575 nan 8.380 nan 0.000 0.457 73 R N 0.960 121.427 120.500 -0.055 0.000 2.603 73 R HA 0.126 4.466 4.340 0.000 0.000 0.280 73 R C -1.071 175.209 176.300 -0.033 0.000 1.185 73 R CA -0.429 55.646 56.100 -0.040 0.000 1.039 73 R CB 1.225 31.499 30.300 -0.044 0.000 1.247 73 R HN 0.508 nan 8.270 nan 0.000 0.413 74 T N 1.788 116.329 114.554 -0.022 0.000 2.905 74 T HA 0.096 4.446 4.350 0.000 0.000 0.299 74 T C 1.011 175.701 174.700 -0.017 0.000 1.024 74 T CA 1.427 63.517 62.100 -0.017 0.000 1.151 74 T CB 0.701 69.565 68.868 -0.007 0.000 0.987 74 T HN 0.753 nan 8.240 nan 0.000 0.535 75 A N 1.512 124.320 122.820 -0.020 0.000 2.952 75 A HA 0.001 4.321 4.320 0.000 0.000 0.252 75 A C 0.712 178.287 177.584 -0.014 0.000 1.323 75 A CA 0.505 52.525 52.037 -0.029 0.000 0.957 75 A CB -1.965 17.003 19.000 -0.053 0.000 1.130 75 A HN 1.575 nan 8.150 nan 0.000 0.799 76 A N 0.627 123.443 122.820 -0.006 0.000 2.280 76 A HA 0.630 4.950 4.320 0.000 0.000 0.320 76 A C -0.077 177.528 177.584 0.036 0.000 1.366 76 A CA -0.327 51.714 52.037 0.006 0.000 0.938 76 A CB 0.073 19.051 19.000 -0.036 0.000 1.157 76 A HN 0.824 nan 8.150 nan 0.000 0.536 77 I N 2.628 123.295 120.570 0.161 0.000 2.307 77 I HA 0.349 4.519 4.170 0.000 0.000 0.289 77 I C 0.325 176.530 176.117 0.146 0.000 1.021 77 I CA -0.017 61.376 61.300 0.156 0.000 1.224 77 I CB 0.392 38.536 38.000 0.240 0.000 1.376 77 I HN 0.437 nan 8.210 nan 0.000 0.470 78 S N 3.692 119.316 115.700 -0.127 0.000 2.664 78 S HA 0.979 5.449 4.470 0.000 0.000 0.304 78 S C 0.349 174.531 174.600 -0.697 0.000 1.099 78 S CA -0.580 57.352 58.200 -0.447 0.000 1.003 78 S CB 2.556 65.391 63.200 -0.607 0.000 1.092 78 S HN 0.923 nan 8.310 nan 0.000 0.525 79 G N -0.189 107.771 108.800 -1.400 0.000 2.561 79 G HA2 0.607 4.567 3.960 0.000 0.000 0.310 79 G HA3 0.607 4.567 3.960 0.000 0.000 0.310 79 G C -2.400 172.001 174.900 -0.833 0.000 1.292 79 G CA -0.553 44.001 45.100 -0.911 0.000 0.811 79 G HN 0.508 nan 8.290 nan 0.000 0.482 80 Y N 0.093 120.304 120.300 -0.148 0.000 2.536 80 Y HA 0.619 5.169 4.550 0.000 0.000 0.347 80 Y C 0.912 176.779 175.900 -0.055 0.000 1.000 80 Y CA -0.450 57.609 58.100 -0.068 0.000 1.051 80 Y CB 2.410 40.842 38.460 -0.047 0.000 1.259 80 Y HN 0.727 nan 8.280 nan 0.000 0.468 81 S N 0.146 115.906 115.700 0.100 0.000 2.614 81 S HA 0.267 4.737 4.470 0.000 0.000 0.265 81 S C -0.230 174.310 174.600 -0.100 0.000 1.303 81 S CA -0.508 57.622 58.200 -0.116 0.000 1.000 81 S CB 0.295 63.469 63.200 -0.043 0.000 0.935 81 S HN 0.448 nan 8.310 nan 0.000 0.551 82 F N 0.706 120.671 119.950 0.025 0.000 2.696 82 F HA 0.352 4.879 4.527 0.000 0.000 0.296 82 F C 1.697 177.453 175.800 -0.072 0.000 1.181 82 F CA -0.753 57.242 58.000 -0.008 0.000 1.411 82 F CB -0.879 38.107 39.000 -0.023 0.000 1.014 82 F HN 0.626 nan 8.300 nan 0.000 0.512 83 K N 0.071 120.509 120.400 0.063 0.000 2.007 83 K HA -0.148 4.172 4.320 0.000 0.000 0.206 83 K C 1.284 177.880 176.600 -0.007 0.000 1.047 83 K CA 1.210 57.495 56.287 -0.003 0.000 0.937 83 K CB -0.135 32.357 32.500 -0.014 0.000 0.718 83 K HN 0.248 nan 8.250 nan 0.000 0.438 84 Q N 0.184 119.984 119.800 -0.001 0.000 2.387 84 Q HA 0.081 4.421 4.340 0.000 0.000 0.211 84 Q C 0.016 175.992 176.000 -0.039 0.000 0.952 84 Q CA 0.208 55.995 55.803 -0.027 0.000 0.957 84 Q CB -0.536 28.177 28.738 -0.040 0.000 1.002 84 Q HN 0.133 nan 8.270 nan 0.000 0.502 85 c N -0.268 118.312 118.600 -0.032 0.000 2.351 85 c HA 0.607 5.177 4.570 0.000 0.000 0.359 85 c C 1.264 175.188 174.090 -0.276 0.000 1.193 85 c CA -0.507 55.745 56.329 -0.127 0.000 2.270 85 c CB 1.621 44.130 42.510 -0.002 0.000 2.369 85 c HN 0.547 nan 8.230 nan 0.000 0.553 86 S N -0.058 115.302 115.700 -0.566 0.000 3.164 86 S HA 0.168 4.638 4.470 0.000 0.000 0.198 86 S C -0.470 173.775 174.600 -0.592 0.000 1.108 86 S CA -0.203 57.701 58.200 -0.493 0.000 1.501 86 S CB -0.649 62.302 63.200 -0.414 0.000 0.788 86 S HN 0.982 nan 8.310 nan 0.000 0.552 87 H N 1.961 121.001 119.070 -0.051 0.000 2.801 87 H HA -0.126 4.430 4.556 0.000 0.000 0.226 87 H C 0.158 175.424 175.328 -0.104 0.000 0.679 87 H CA 0.276 56.285 56.048 -0.065 0.000 1.495 87 H CB -1.640 28.072 29.762 -0.084 0.000 1.319 87 H HN 0.344 nan 8.280 nan 0.000 0.428 88 Q N 2.434 122.252 119.800 0.030 0.000 2.831 88 Q HA -0.054 4.286 4.340 0.000 0.000 0.269 88 Q C 1.617 177.583 176.000 -0.056 0.000 1.229 88 Q CA 0.719 56.506 55.803 -0.028 0.000 1.075 88 Q CB 0.467 29.192 28.738 -0.021 0.000 1.358 88 Q HN 0.749 nan 8.270 nan 0.000 0.553 89 I N -0.565 119.956 120.570 -0.082 0.000 2.874 89 I HA -0.208 3.962 4.170 0.000 0.000 0.093 89 I C 0.955 177.051 176.117 -0.034 0.000 0.944 89 I CA 0.941 62.203 61.300 -0.063 0.000 1.278 89 I CB -0.544 37.455 38.000 -0.001 0.000 1.100 89 I HN 0.700 nan 8.210 nan 0.000 0.456 90 S N -0.925 114.799 115.700 0.040 0.000 4.185 90 S HA 0.053 4.523 4.470 0.000 0.000 0.227 90 S C 0.574 175.235 174.600 0.101 0.000 0.942 90 S CA 0.100 58.340 58.200 0.066 0.000 0.867 90 S CB -1.594 61.622 63.200 0.026 0.000 0.608 90 S HN 0.938 nan 8.310 nan 0.000 0.716 91 A N 0.463 123.358 122.820 0.125 0.000 2.285 91 A HA 0.227 4.547 4.320 0.000 0.000 0.214 91 A C 1.380 178.958 177.584 -0.009 0.000 1.188 91 A CA 1.160 53.217 52.037 0.033 0.000 0.707 91 A CB -0.920 18.024 19.000 -0.094 0.000 0.771 91 A HN 1.702 nan 8.150 nan 0.000 0.488 92 c N 1.450 120.092 118.600 0.070 0.000 2.408 92 c HA 0.656 5.226 4.570 0.000 0.000 0.321 92 c C -0.837 173.328 174.090 0.125 0.000 1.245 92 c CA -1.006 55.378 56.329 0.093 0.000 1.523 92 c CB 1.091 43.654 42.510 0.089 0.000 2.178 92 c HN 0.575 nan 8.230 nan 0.000 0.488 93 N N 4.329 123.148 118.700 0.198 0.000 2.443 93 N HA 0.255 4.995 4.740 0.000 0.000 0.269 93 N C -0.126 175.522 175.510 0.230 0.000 0.985 93 N CA -0.539 52.648 53.050 0.230 0.000 0.921 93 N CB 1.211 39.914 38.487 0.360 0.000 1.195 93 N HN 0.792 nan 8.380 nan 0.000 0.492 94 K N 0.870 121.358 120.400 0.147 0.000 2.525 94 K HA -0.012 4.308 4.320 0.000 0.000 0.192 94 K C -0.460 176.203 176.600 0.106 0.000 1.029 94 K CA -0.001 56.360 56.287 0.123 0.000 1.029 94 K CB -0.075 32.465 32.500 0.066 0.000 0.814 94 K HN 0.600 nan 8.250 nan 0.000 0.503 95 D N 0.664 121.122 120.400 0.097 0.000 2.461 95 D HA -0.083 4.557 4.640 0.000 0.000 0.231 95 D C -0.281 175.967 176.300 -0.086 0.000 1.208 95 D CA 0.962 54.921 54.000 -0.068 0.000 0.879 95 D CB 0.471 41.174 40.800 -0.161 0.000 1.220 95 D HN -0.082 nan 8.370 nan 0.000 0.480 96 I N 2.164 122.560 120.570 -0.291 0.000 2.529 96 I HA 0.119 4.289 4.170 0.000 0.000 0.284 96 I C -1.218 174.716 176.117 -0.306 0.000 1.088 96 I CA -0.535 60.681 61.300 -0.140 0.000 1.062 96 I CB 0.936 38.929 38.000 -0.012 0.000 1.218 96 I HN 0.326 nan 8.210 nan 0.000 0.442 97 Y N 5.323 125.556 120.300 -0.111 0.000 2.350 97 Y HA 0.399 4.949 4.550 0.000 0.000 0.340 97 Y C 0.606 176.466 175.900 -0.066 0.000 1.006 97 Y CA -0.701 57.337 58.100 -0.102 0.000 1.166 97 Y CB 1.137 39.482 38.460 -0.190 0.000 1.168 97 Y HN 0.186 nan 8.280 nan 0.000 0.502 98 V N 3.554 123.510 119.914 0.070 0.000 2.649 98 V HA 0.092 4.212 4.120 0.000 0.000 0.292 98 V C 0.205 176.347 176.094 0.081 0.000 1.055 98 V CA -0.782 61.560 62.300 0.069 0.000 1.023 98 V CB 0.994 32.851 31.823 0.056 0.000 0.992 98 V HN 0.902 nan 8.190 nan 0.000 0.480 99 D N 1.077 121.523 120.400 0.076 0.000 2.911 99 D HA -0.174 4.466 4.640 0.000 0.000 0.227 99 D C -0.574 175.762 176.300 0.061 0.000 1.164 99 D CA 0.737 54.787 54.000 0.082 0.000 0.782 99 D CB -0.577 40.283 40.800 0.100 0.000 1.094 99 D HN 0.255 nan 8.370 nan 0.000 0.425 100 L N 0.837 122.065 121.223 0.009 0.000 2.333 100 L HA 0.408 4.748 4.340 0.000 0.000 0.280 100 L C -0.166 176.621 176.870 -0.138 0.000 1.004 100 L CA -0.410 54.377 54.840 -0.089 0.000 0.820 100 L CB 1.948 43.900 42.059 -0.178 0.000 1.247 100 L HN -0.164 nan 8.230 nan 0.000 0.416 101 D N 3.959 124.275 120.400 -0.140 0.000 2.414 101 D HA 0.446 5.086 4.640 0.000 0.000 0.232 101 D C -0.818 175.357 176.300 -0.207 0.000 1.070 101 D CA -0.232 53.688 54.000 -0.134 0.000 0.839 101 D CB 0.815 41.576 40.800 -0.065 0.000 1.079 101 D HN 0.348 nan 8.370 nan 0.000 0.521 102 M N 3.371 122.819 119.600 -0.253 0.000 2.080 102 M HA 0.226 4.706 4.480 0.000 0.000 0.350 102 M C 0.217 176.481 176.300 -0.059 0.000 1.173 102 M CA -0.642 54.439 55.300 -0.366 0.000 1.052 102 M CB 1.417 33.546 32.600 -0.785 0.000 1.577 102 M HN 0.186 nan 8.290 nan 0.000 0.455 103 K N 2.205 122.562 120.400 -0.072 0.000 2.270 103 K HA 0.639 4.959 4.320 0.000 0.000 0.276 103 K C -0.155 176.618 176.600 0.288 0.000 1.023 103 K CA 0.008 56.336 56.287 0.068 0.000 0.955 103 K CB 0.926 33.397 32.500 -0.047 0.000 0.975 103 K HN 0.923 nan 8.250 nan 0.000 0.471 104 G N 2.283 111.226 108.800 0.238 0.000 2.495 104 G HA2 0.228 4.188 3.960 0.000 0.000 0.294 104 G HA3 0.228 4.188 3.960 0.000 0.000 0.294 104 G C -1.243 173.671 174.900 0.023 0.000 1.397 104 G CA -0.880 44.328 45.100 0.181 0.000 0.790 104 G HN 0.428 nan 8.290 nan 0.000 0.486 105 I N 1.564 122.085 120.570 -0.081 0.000 2.578 105 I HA 0.058 4.228 4.170 0.000 0.000 0.286 105 I C -0.174 176.004 176.117 0.102 0.000 1.126 105 I CA -0.601 60.663 61.300 -0.061 0.000 1.380 105 I CB -0.568 37.266 38.000 -0.276 0.000 1.408 105 I HN 0.273 nan 8.210 nan 0.000 0.532 106 N N 7.105 125.859 118.700 0.090 0.000 2.399 106 N HA 0.104 4.844 4.740 0.000 0.000 0.259 106 N C 0.409 176.002 175.510 0.138 0.000 1.160 106 N CA -0.313 52.789 53.050 0.086 0.000 0.946 106 N CB 0.155 38.656 38.487 0.024 0.000 1.156 106 N HN 0.544 nan 8.380 nan 0.000 0.489 107 Y N -0.224 120.085 120.300 0.016 0.000 2.557 107 Y HA 0.467 5.017 4.550 0.000 0.000 0.247 107 Y C -0.405 175.467 175.900 -0.045 0.000 1.164 107 Y CA -0.799 57.293 58.100 -0.014 0.000 1.218 107 Y CB 0.251 38.688 38.460 -0.038 0.000 1.210 107 Y HN 0.283 nan 8.280 nan 0.000 0.529 108 N N 0.512 118.916 118.700 -0.493 0.000 2.554 108 N HA 0.228 4.968 4.740 0.000 0.000 0.271 108 N C -2.058 173.302 175.510 -0.250 0.000 1.081 108 N CA 0.072 52.881 53.050 -0.402 0.000 0.994 108 N CB 2.261 40.372 38.487 -0.625 0.000 1.641 108 N HN 0.088 nan 8.380 nan 0.000 0.511 109 S N 1.619 117.238 115.700 -0.135 0.000 2.647 109 S HA 0.810 5.280 4.470 0.000 0.000 0.300 109 S C -1.514 173.056 174.600 -0.049 0.000 1.129 109 S CA -0.199 57.956 58.200 -0.075 0.000 1.029 109 S CB 0.529 63.707 63.200 -0.037 0.000 1.007 109 S HN 0.459 nan 8.310 nan 0.000 0.484 110 S N 2.240 117.919 115.700 -0.035 0.000 2.550 110 S HA 0.459 4.930 4.470 0.000 0.000 0.270 110 S C -0.832 173.773 174.600 0.009 0.000 1.145 110 S CA -0.641 57.548 58.200 -0.019 0.000 0.852 110 S CB 1.615 64.794 63.200 -0.035 0.000 1.119 110 S HN 0.796 nan 8.310 nan 0.000 0.465 111 V N 1.765 121.689 119.914 0.016 0.000 2.811 111 V HA 0.722 4.842 4.120 0.000 0.000 0.302 111 V C -0.025 176.105 176.094 0.060 0.000 1.063 111 V CA 0.311 62.637 62.300 0.044 0.000 1.088 111 V CB 0.895 32.736 31.823 0.030 0.000 0.982 111 V HN 1.135 nan 8.190 nan 0.000 0.485 112 A N 4.696 127.597 122.820 0.136 0.000 2.455 112 A HA 0.675 4.995 4.320 0.000 0.000 0.300 112 A C 0.179 177.858 177.584 0.157 0.000 1.040 112 A CA -0.407 51.690 52.037 0.100 0.000 0.697 112 A CB 1.627 20.647 19.000 0.033 0.000 1.265 112 A HN 0.982 nan 8.150 nan 0.000 0.407 113 K N 0.597 121.027 120.400 0.049 0.000 2.515 113 K HA 0.155 4.475 4.320 0.000 0.000 0.196 113 K C 0.369 176.992 176.600 0.038 0.000 1.038 113 K CA 1.200 57.523 56.287 0.060 0.000 0.967 113 K CB -0.232 32.280 32.500 0.019 0.000 0.780 113 K HN 0.966 nan 8.250 nan 0.000 0.483 114 S N -2.306 113.309 115.700 -0.142 0.000 2.578 114 S HA 0.631 5.101 4.470 0.000 0.000 0.272 114 S C 0.498 174.511 174.600 -0.979 0.000 1.145 114 S CA -0.680 57.309 58.200 -0.352 0.000 0.835 114 S CB 1.251 64.344 63.200 -0.178 0.000 1.104 114 S HN -0.014 nan 8.310 nan 0.000 0.458 115 A N 0.892 123.070 122.820 -1.069 0.000 1.972 115 A HA -0.113 4.207 4.320 0.000 0.000 0.219 115 A C 2.074 179.366 177.584 -0.486 0.000 1.169 115 A CA 1.892 53.380 52.037 -0.917 0.000 0.635 115 A CB -0.933 17.950 19.000 -0.195 0.000 0.810 115 A HN 0.872 nan 8.150 nan 0.000 0.446 116 Q N 0.122 119.728 119.800 -0.323 0.000 2.020 116 Q HA -0.268 4.072 4.340 0.000 0.000 0.202 116 Q C 2.099 177.930 176.000 -0.282 0.000 0.982 116 Q CA 2.149 57.821 55.803 -0.218 0.000 0.838 116 Q CB -0.257 28.404 28.738 -0.128 0.000 0.899 116 Q HN 0.895 nan 8.270 nan 0.000 0.423 117 E N -0.350 119.682 120.200 -0.279 0.000 2.204 117 E HA -0.190 4.160 4.350 0.000 0.000 0.195 117 E C 2.111 178.513 176.600 -0.330 0.000 0.990 117 E CA 1.255 57.510 56.400 -0.242 0.000 0.821 117 E CB -0.695 28.898 29.700 -0.177 0.000 0.750 117 E HN 0.387 nan 8.360 nan 0.000 0.477 118 c N 0.606 118.913 118.600 -0.488 0.000 2.440 118 c HA -0.096 4.474 4.570 0.000 0.000 0.278 118 c C 2.845 176.396 174.090 -0.900 0.000 1.295 118 c CA 1.394 57.373 56.329 -0.584 0.000 1.738 118 c CB -0.898 41.254 42.510 -0.596 0.000 1.987 118 c HN 0.689 nan 8.230 nan 0.000 0.492 119 Q N 0.206 119.368 119.800 -1.063 0.000 2.119 119 Q HA -0.172 4.168 4.340 0.000 0.000 0.201 119 Q C 2.097 177.894 176.000 -0.338 0.000 0.972 119 Q CA 1.769 57.012 55.803 -0.932 0.000 0.847 119 Q CB -0.144 28.375 28.738 -0.366 0.000 0.903 119 Q HN 0.739 nan 8.270 nan 0.000 0.433 120 E N 0.067 120.112 120.200 -0.257 0.000 2.150 120 E HA -0.201 4.149 4.350 0.000 0.000 0.193 120 E C 2.071 178.601 176.600 -0.117 0.000 0.985 120 E CA 0.725 57.045 56.400 -0.134 0.000 0.814 120 E CB -0.102 29.529 29.700 -0.115 0.000 0.752 120 E HN 0.265 nan 8.360 nan 0.000 0.466 121 R N 0.686 121.084 120.500 -0.170 0.000 2.062 121 R HA -0.113 4.227 4.340 0.000 0.000 0.229 121 R C 2.574 178.824 176.300 -0.084 0.000 1.128 121 R CA 1.398 57.425 56.100 -0.123 0.000 0.960 121 R CB -0.550 29.661 30.300 -0.148 0.000 0.855 121 R HN 0.286 nan 8.270 nan 0.000 0.432 122 c N 0.274 118.806 118.600 -0.114 0.000 2.413 122 c HA -0.078 4.492 4.570 0.000 0.000 0.276 122 c C 2.584 176.715 174.090 0.070 0.000 1.248 122 c CA 1.663 57.999 56.329 0.013 0.000 1.742 122 c CB -0.999 41.580 42.510 0.116 0.000 2.017 122 c HN 0.544 nan 8.230 nan 0.000 0.481 123 T N 0.060 114.641 114.554 0.045 0.000 2.788 123 T HA -0.133 4.217 4.350 0.000 0.000 0.268 123 T C 0.982 175.709 174.700 0.045 0.000 1.044 123 T CA 2.097 64.238 62.100 0.069 0.000 1.139 123 T CB -0.392 68.505 68.868 0.047 0.000 0.867 123 T HN 0.571 nan 8.240 nan 0.000 0.454 124 D N 1.051 121.461 120.400 0.016 0.000 2.325 124 D HA 0.113 4.753 4.640 0.000 0.000 0.225 124 D C 0.242 176.556 176.300 0.023 0.000 1.096 124 D CA 0.083 54.090 54.000 0.012 0.000 0.844 124 D CB 0.034 40.830 40.800 -0.007 0.000 0.925 124 D HN 0.387 nan 8.370 nan 0.000 0.513 125 D N -0.080 120.347 120.400 0.045 0.000 2.268 125 D HA 0.045 4.685 4.640 0.000 0.000 0.249 125 D C 0.872 177.220 176.300 0.079 0.000 1.008 125 D CA -0.521 53.524 54.000 0.076 0.000 0.939 125 D CB 2.509 43.374 40.800 0.109 0.000 1.170 125 D HN -0.140 nan 8.370 nan 0.000 0.468 126 V N 2.800 122.768 119.914 0.091 0.000 3.306 126 V HA -0.057 4.063 4.120 0.000 0.000 0.264 126 V C 0.718 176.699 176.094 -0.188 0.000 1.149 126 V CA 1.442 63.730 62.300 -0.020 0.000 1.143 126 V CB -0.632 31.166 31.823 -0.042 0.000 0.767 126 V HN 0.512 nan 8.190 nan 0.000 0.476 127 H N -2.098 116.898 119.070 -0.123 0.000 3.017 127 H HA 0.330 4.886 4.556 0.000 0.000 0.255 127 H C 1.123 176.217 175.328 -0.391 0.000 0.990 127 H CA 0.283 56.096 56.048 -0.390 0.000 1.205 127 H CB 0.020 29.218 29.762 -0.941 0.000 1.460 127 H HN 0.425 nan 8.280 nan 0.000 0.478 128 c N 2.369 121.021 118.600 0.086 0.000 2.634 128 c HA -0.025 4.545 4.570 0.000 0.000 0.418 128 c C 1.352 175.476 174.090 0.057 0.000 1.373 128 c CA 0.183 56.573 56.329 0.101 0.000 1.756 128 c CB -0.240 42.388 42.510 0.195 0.000 2.589 128 c HN 0.589 nan 8.230 nan 0.000 0.602 129 H N 3.729 122.898 119.070 0.164 0.000 2.393 129 H HA 0.293 4.849 4.556 0.000 0.000 0.301 129 H C 0.217 175.807 175.328 0.436 0.000 1.019 129 H CA 1.206 57.415 56.048 0.269 0.000 1.311 129 H CB -0.060 29.873 29.762 0.284 0.000 1.475 129 H HN 0.742 nan 8.280 nan 0.000 0.572 130 F N -0.271 119.902 119.950 0.372 0.000 2.643 130 F HA 0.562 5.089 4.527 0.000 0.000 0.314 130 F C -1.169 174.686 175.800 0.092 0.000 1.096 130 F CA -1.988 56.069 58.000 0.095 0.000 0.953 130 F CB 1.256 40.122 39.000 -0.223 0.000 1.345 130 F HN -0.114 nan 8.300 nan 0.000 0.468 131 F N -1.471 118.592 119.950 0.188 0.000 2.629 131 F HA 0.931 5.458 4.527 0.000 0.000 0.316 131 F C -1.187 174.669 175.800 0.093 0.000 1.081 131 F CA -1.146 56.907 58.000 0.088 0.000 0.954 131 F CB 1.910 40.932 39.000 0.038 0.000 1.337 131 F HN 0.585 nan 8.300 nan 0.000 0.474 132 T N 1.382 116.097 114.554 0.269 0.000 2.886 132 T HA 0.422 4.772 4.350 0.000 0.000 0.292 132 T C -2.205 172.672 174.700 0.295 0.000 1.012 132 T CA -0.516 61.680 62.100 0.160 0.000 0.982 132 T CB 1.382 70.269 68.868 0.032 0.000 1.018 132 T HN 0.705 nan 8.240 nan 0.000 0.451 133 Y N 1.671 122.036 120.300 0.108 0.000 2.462 133 Y HA 0.649 5.199 4.550 0.000 0.000 0.346 133 Y C -0.864 174.971 175.900 -0.108 0.000 0.976 133 Y CA -1.332 56.791 58.100 0.038 0.000 1.044 133 Y CB 1.378 39.907 38.460 0.115 0.000 1.230 133 Y HN 0.730 nan 8.280 nan 0.000 0.455 134 A N 5.111 127.431 122.820 -0.833 0.000 2.582 134 A HA 0.432 4.752 4.320 0.000 0.000 0.336 134 A C 0.257 177.195 177.584 -1.078 0.000 1.445 134 A CA -0.107 51.373 52.037 -0.927 0.000 0.997 134 A CB -1.083 17.456 19.000 -0.768 0.000 1.148 134 A HN 0.853 nan 8.150 nan 0.000 0.514 135 T N 0.541 114.651 114.554 -0.740 0.000 2.724 135 T HA 0.224 4.574 4.350 0.000 0.000 0.324 135 T C 0.856 175.479 174.700 -0.129 0.000 1.071 135 T CA -0.117 61.779 62.100 -0.340 0.000 1.061 135 T CB 0.295 69.188 68.868 0.043 0.000 0.990 135 T HN 0.854 nan 8.240 nan 0.000 0.543 136 R N 1.061 121.569 120.500 0.012 0.000 2.828 136 R HA 0.073 4.413 4.340 0.000 0.000 0.270 136 R C 0.939 177.298 176.300 0.098 0.000 1.244 136 R CA 0.055 56.189 56.100 0.057 0.000 1.143 136 R CB -0.323 30.018 30.300 0.068 0.000 1.128 136 R HN 1.014 nan 8.270 nan 0.000 0.587 137 Q N -1.533 118.317 119.800 0.084 0.000 2.422 137 Q HA -0.252 4.088 4.340 0.000 0.000 0.245 137 Q C -1.396 174.666 176.000 0.103 0.000 0.922 137 Q CA 1.368 57.214 55.803 0.073 0.000 1.192 137 Q CB -1.965 26.813 28.738 0.066 0.000 1.641 137 Q HN 0.547 nan 8.270 nan 0.000 0.552 138 F N 0.319 120.256 119.950 -0.022 0.000 2.385 138 F HA 0.463 4.990 4.527 0.000 0.000 0.360 138 F C -1.511 174.284 175.800 -0.007 0.000 1.122 138 F CA -2.112 55.875 58.000 -0.022 0.000 1.090 138 F CB 1.334 40.301 39.000 -0.054 0.000 1.150 138 F HN -0.162 nan 8.300 nan 0.000 0.472 139 P HA -0.341 nan 4.420 nan 0.000 0.224 139 P C 0.022 177.146 177.300 -0.293 0.000 0.837 139 P CA 2.021 64.828 63.100 -0.489 0.000 1.060 139 P CB -0.197 31.100 31.700 -0.670 0.000 0.717 140 S N -1.450 114.069 115.700 -0.302 0.000 2.537 140 S HA 0.025 4.495 4.470 0.000 0.000 0.286 140 S C 1.071 175.706 174.600 0.058 0.000 1.299 140 S CA -0.536 57.657 58.200 -0.013 0.000 1.067 140 S CB -0.197 63.126 63.200 0.206 0.000 0.864 140 S HN 0.092 nan 8.310 nan 0.000 0.494 141 L N 5.152 126.380 121.223 0.008 0.000 2.313 141 L HA 0.093 4.433 4.340 0.000 0.000 0.214 141 L C 2.237 179.103 176.870 -0.008 0.000 1.119 141 L CA 2.057 56.903 54.840 0.009 0.000 0.809 141 L CB -0.531 41.520 42.059 -0.012 0.000 0.933 141 L HN 0.954 nan 8.230 nan 0.000 0.449 142 E N -2.485 117.674 120.200 -0.070 0.000 2.190 142 E HA -0.148 4.202 4.350 0.000 0.000 0.191 142 E C 1.053 177.538 176.600 -0.192 0.000 0.978 142 E CA 0.673 56.969 56.400 -0.174 0.000 0.839 142 E CB -0.405 29.107 29.700 -0.313 0.000 0.787 142 E HN 0.533 nan 8.360 nan 0.000 0.473 143 H N 0.657 119.788 119.070 0.102 0.000 2.517 143 H HA 0.258 4.814 4.556 0.000 0.000 0.282 143 H C 0.047 175.435 175.328 0.100 0.000 1.023 143 H CA -0.066 56.050 56.048 0.113 0.000 1.169 143 H CB 0.089 29.978 29.762 0.213 0.000 1.454 143 H HN 0.091 nan 8.280 nan 0.000 0.556 144 R N 0.956 121.572 120.500 0.194 0.000 2.459 144 R HA 0.063 4.404 4.340 0.000 0.000 0.281 144 R C -0.004 176.276 176.300 -0.033 0.000 1.050 144 R CA -0.120 56.055 56.100 0.124 0.000 1.055 144 R CB 0.504 30.896 30.300 0.154 0.000 1.045 144 R HN 0.080 nan 8.270 nan 0.000 0.495 145 N N 0.266 118.860 118.700 -0.177 0.000 2.778 145 N HA -0.240 4.500 4.740 0.000 0.000 0.249 145 N C -0.683 174.777 175.510 -0.083 0.000 1.069 145 N CA 1.421 54.367 53.050 -0.174 0.000 0.831 145 N CB -1.339 37.150 38.487 0.003 0.000 1.142 145 N HN 0.574 nan 8.380 nan 0.000 0.573 146 I N -2.721 117.770 120.570 -0.132 0.000 2.428 146 I HA 0.496 4.666 4.170 0.000 0.000 0.296 146 I C 0.204 176.342 176.117 0.034 0.000 0.985 146 I CA -1.138 60.152 61.300 -0.017 0.000 1.260 146 I CB 1.560 39.557 38.000 -0.004 0.000 1.389 146 I HN 0.118 nan 8.210 nan 0.000 0.484 147 c N 8.569 127.234 118.600 0.108 0.000 2.273 147 c HA 0.745 5.315 4.570 0.000 0.000 0.328 147 c C -0.084 174.029 174.090 0.039 0.000 1.275 147 c CA -0.808 55.602 56.329 0.136 0.000 1.704 147 c CB -0.706 41.849 42.510 0.076 0.000 2.326 147 c HN 0.874 nan 8.230 nan 0.000 0.517 148 L N 5.874 127.131 121.223 0.057 0.000 2.342 148 L HA 0.664 5.004 4.340 0.000 0.000 0.276 148 L C -0.844 176.025 176.870 -0.002 0.000 0.997 148 L CA -0.675 54.158 54.840 -0.012 0.000 0.838 148 L CB 0.880 42.928 42.059 -0.019 0.000 1.224 148 L HN 0.491 nan 8.230 nan 0.000 0.416 149 L N 3.691 124.835 121.223 -0.131 0.000 2.397 149 L HA 0.505 4.845 4.340 0.000 0.000 0.271 149 L C 0.121 176.910 176.870 -0.136 0.000 1.148 149 L CA -0.107 54.639 54.840 -0.157 0.000 0.825 149 L CB 0.808 42.640 42.059 -0.379 0.000 1.117 149 L HN 0.737 nan 8.230 nan 0.000 0.456 150 K N 1.795 122.178 120.400 -0.028 0.000 2.466 150 K HA 0.649 4.969 4.320 0.000 0.000 0.260 150 K C -1.347 175.204 176.600 -0.081 0.000 1.011 150 K CA -1.003 55.261 56.287 -0.038 0.000 0.871 150 K CB 2.401 34.665 32.500 -0.394 0.000 1.404 150 K HN 0.688 nan 8.250 nan 0.000 0.450 151 H N -1.394 117.523 119.070 -0.255 0.000 3.064 151 H HA 0.477 5.033 4.556 0.000 0.000 0.352 151 H C -1.679 173.683 175.328 0.057 0.000 1.260 151 H CA -0.753 55.158 56.048 -0.228 0.000 1.160 151 H CB 1.854 31.332 29.762 -0.474 0.000 1.879 151 H HN 0.719 nan 8.280 nan 0.000 0.544 152 T N -1.489 113.249 114.554 0.305 0.000 2.894 152 T HA 0.146 4.496 4.350 0.000 0.000 0.309 152 T C 0.924 175.766 174.700 0.236 0.000 1.208 152 T CA -0.598 61.596 62.100 0.157 0.000 1.016 152 T CB 2.719 71.741 68.868 0.256 0.000 1.192 152 T HN 0.756 nan 8.240 nan 0.000 0.491 153 Q N 0.815 120.703 119.800 0.146 0.000 2.197 153 Q HA -0.246 4.094 4.340 0.000 0.000 0.211 153 Q C 1.720 177.812 176.000 0.154 0.000 0.993 153 Q CA 2.829 58.733 55.803 0.167 0.000 0.883 153 Q CB -0.525 28.288 28.738 0.123 0.000 0.916 153 Q HN 0.953 nan 8.270 nan 0.000 0.418 154 T N -5.502 109.121 114.554 0.115 0.000 3.040 154 T HA 0.364 4.714 4.350 0.000 0.000 0.252 154 T C 1.395 176.070 174.700 -0.041 0.000 1.064 154 T CA 0.821 62.950 62.100 0.047 0.000 1.110 154 T CB 0.766 69.688 68.868 0.090 0.000 0.921 154 T HN 0.532 nan 8.240 nan 0.000 0.480 155 G N 1.304 110.087 108.800 -0.028 0.000 2.284 155 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 155 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 155 G C 0.418 175.494 174.900 0.293 0.000 1.009 155 G CA 0.280 45.266 45.100 -0.190 0.000 0.625 155 G HN 1.188 nan 8.290 nan 0.000 0.501 156 T N 1.527 116.223 114.554 0.236 0.000 2.909 156 T HA 0.665 5.015 4.350 0.000 0.000 0.286 156 T C -2.055 172.772 174.700 0.212 0.000 1.002 156 T CA -1.145 61.092 62.100 0.229 0.000 1.074 156 T CB 2.477 71.454 68.868 0.180 0.000 0.984 156 T HN 0.251 nan 8.240 nan 0.000 0.495 157 P HA 0.085 nan 4.420 nan 0.000 0.269 157 P C 1.123 178.419 177.300 -0.006 0.000 1.215 157 P CA -0.158 62.815 63.100 -0.211 0.000 0.780 157 P CB 0.602 31.860 31.700 -0.737 0.000 0.898 158 T N -0.245 114.300 114.554 -0.016 0.000 3.055 158 T HA 0.068 4.418 4.350 0.000 0.000 0.265 158 T C 0.838 175.153 174.700 -0.640 0.000 1.111 158 T CA 0.559 62.598 62.100 -0.101 0.000 1.118 158 T CB 0.092 68.941 68.868 -0.031 0.000 0.909 158 T HN 0.430 nan 8.240 nan 0.000 0.501 159 R N -0.722 119.389 120.500 -0.649 0.000 2.692 159 R HA 0.686 5.026 4.340 0.000 0.000 0.269 159 R C -1.830 174.194 176.300 -0.459 0.000 1.030 159 R CA -0.809 54.766 56.100 -0.874 0.000 0.882 159 R CB 1.836 31.826 30.300 -0.518 0.000 1.250 159 R HN 0.201 nan 8.270 nan 0.000 0.465 160 I N 1.223 121.622 120.570 -0.284 0.000 2.534 160 I HA 0.372 4.542 4.170 0.000 0.000 0.288 160 I C -0.434 175.704 176.117 0.034 0.000 1.077 160 I CA -0.597 60.575 61.300 -0.215 0.000 1.051 160 I CB 2.452 40.167 38.000 -0.475 0.000 1.234 160 I HN 0.701 nan 8.210 nan 0.000 0.425 161 T N 1.785 116.337 114.554 -0.002 0.000 2.906 161 T HA 0.564 4.914 4.350 0.000 0.000 0.295 161 T C -0.618 174.166 174.700 0.140 0.000 1.075 161 T CA -1.129 61.055 62.100 0.140 0.000 1.005 161 T CB 2.343 71.247 68.868 0.060 0.000 1.136 161 T HN 0.206 nan 8.240 nan 0.000 0.498 162 K N 1.002 121.541 120.400 0.232 0.000 2.118 162 K HA 0.620 4.940 4.320 0.000 0.000 0.264 162 K C -0.781 175.898 176.600 0.132 0.000 1.000 162 K CA -0.790 55.616 56.287 0.198 0.000 0.929 162 K CB 1.232 33.894 32.500 0.270 0.000 1.021 162 K HN 0.706 nan 8.250 nan 0.000 0.463 163 L N 2.364 123.658 121.223 0.118 0.000 2.849 163 L HA 0.124 4.464 4.340 0.000 0.000 0.256 163 L C -1.148 175.816 176.870 0.156 0.000 0.951 163 L CA -0.562 54.357 54.840 0.131 0.000 1.003 163 L CB 1.625 43.752 42.059 0.114 0.000 1.408 163 L HN 0.571 nan 8.230 nan 0.000 0.463 164 D N 3.635 124.132 120.400 0.162 0.000 2.449 164 D HA 0.022 4.662 4.640 0.000 0.000 0.236 164 D C 0.519 176.977 176.300 0.263 0.000 1.149 164 D CA 0.631 54.729 54.000 0.162 0.000 0.878 164 D CB 0.891 41.755 40.800 0.108 0.000 1.198 164 D HN 0.361 nan 8.370 nan 0.000 0.446 165 K N -1.035 119.489 120.400 0.208 0.000 3.016 165 K HA -0.145 4.175 4.320 0.000 0.000 0.262 165 K C -0.898 175.805 176.600 0.171 0.000 1.043 165 K CA 0.392 56.825 56.287 0.243 0.000 0.761 165 K CB -1.259 31.439 32.500 0.331 0.000 1.230 165 K HN 0.190 nan 8.250 nan 0.000 0.485 166 V N -0.758 119.205 119.914 0.081 0.000 2.962 166 V HA 0.794 4.914 4.120 0.000 0.000 0.313 166 V C -0.722 175.388 176.094 0.026 0.000 1.099 166 V CA -0.666 61.598 62.300 -0.060 0.000 0.971 166 V CB 2.460 34.234 31.823 -0.081 0.000 1.028 166 V HN -0.068 nan 8.190 nan 0.000 0.430 167 V N 2.559 122.502 119.914 0.048 0.000 2.891 167 V HA 0.785 4.905 4.120 0.000 0.000 0.304 167 V C -0.722 175.403 176.094 0.052 0.000 1.171 167 V CA 0.108 62.461 62.300 0.088 0.000 0.943 167 V CB 2.646 34.574 31.823 0.175 0.000 1.037 167 V HN 0.965 nan 8.190 nan 0.000 0.427 168 S N 3.053 118.687 115.700 -0.109 0.000 2.709 168 S HA 1.058 5.528 4.470 0.000 0.000 0.302 168 S C -0.122 174.070 174.600 -0.681 0.000 1.127 168 S CA -0.180 57.762 58.200 -0.430 0.000 0.905 168 S CB 1.915 64.876 63.200 -0.399 0.000 1.151 168 S HN 1.651 nan 8.310 nan 0.000 0.510 169 G N -0.006 108.006 108.800 -1.314 0.000 2.466 169 G HA2 0.566 4.526 3.960 0.000 0.000 0.291 169 G HA3 0.566 4.526 3.960 0.000 0.000 0.291 169 G C -1.917 172.480 174.900 -0.838 0.000 1.460 169 G CA -0.738 43.771 45.100 -0.986 0.000 0.791 169 G HN 0.350 nan 8.290 nan 0.000 0.505 170 F N 0.459 120.394 119.950 -0.025 0.000 2.380 170 F HA 0.726 5.253 4.527 0.000 0.000 0.319 170 F C 1.252 177.236 175.800 0.307 0.000 1.113 170 F CA -0.430 57.674 58.000 0.174 0.000 1.056 170 F CB 1.832 40.919 39.000 0.145 0.000 1.289 170 F HN 0.406 nan 8.300 nan 0.000 0.515 171 S N 0.724 116.748 115.700 0.540 0.000 2.576 171 S HA 0.316 4.786 4.470 0.000 0.000 0.276 171 S C 0.151 174.929 174.600 0.297 0.000 1.339 171 S CA -0.574 57.853 58.200 0.379 0.000 1.039 171 S CB 0.106 63.497 63.200 0.318 0.000 0.902 171 S HN 0.560 nan 8.310 nan 0.000 0.516 172 L N 4.557 125.905 121.223 0.208 0.000 2.984 172 L HA 0.285 4.625 4.340 0.000 0.000 0.246 172 L C 1.618 178.533 176.870 0.075 0.000 1.268 172 L CA -0.209 54.715 54.840 0.140 0.000 1.054 172 L CB -0.224 41.901 42.059 0.110 0.000 1.393 172 L HN 0.700 nan 8.230 nan 0.000 0.532 173 K N 0.647 121.104 120.400 0.094 0.000 2.147 173 K HA -0.124 4.196 4.320 0.000 0.000 0.205 173 K C 2.286 178.890 176.600 0.006 0.000 1.049 173 K CA 1.660 57.980 56.287 0.054 0.000 0.936 173 K CB 0.074 32.628 32.500 0.089 0.000 0.722 173 K HN 0.440 nan 8.250 nan 0.000 0.446 174 S N 0.381 116.102 115.700 0.035 0.000 2.402 174 S HA -0.125 4.345 4.470 0.000 0.000 0.229 174 S C 1.907 176.411 174.600 -0.161 0.000 1.021 174 S CA 0.736 58.951 58.200 0.024 0.000 0.974 174 S CB -0.553 62.696 63.200 0.081 0.000 0.800 174 S HN 0.263 nan 8.310 nan 0.000 0.484 175 c N 2.236 120.783 118.600 -0.088 0.000 2.428 175 c HA 0.644 5.214 4.570 0.000 0.000 0.347 175 c C 1.826 175.789 174.090 -0.213 0.000 1.345 175 c CA -0.130 56.126 56.329 -0.123 0.000 1.586 175 c CB -2.439 40.059 42.510 -0.020 0.000 1.638 175 c HN 0.806 nan 8.230 nan 0.000 0.597 176 A N -0.627 121.978 122.820 -0.357 0.000 2.869 176 A HA -0.218 4.102 4.320 0.000 0.000 0.272 176 A C 0.871 178.382 177.584 -0.120 0.000 1.332 176 A CA 1.194 53.066 52.037 -0.274 0.000 0.939 176 A CB -1.499 17.331 19.000 -0.283 0.000 1.018 176 A HN 0.482 nan 8.150 nan 0.000 0.696 177 L N 0.047 121.221 121.223 -0.082 0.000 2.629 177 L HA 0.291 4.631 4.340 0.000 0.000 0.230 177 L C 1.312 178.171 176.870 -0.018 0.000 1.151 177 L CA 1.268 56.086 54.840 -0.038 0.000 0.924 177 L CB -0.544 41.503 42.059 -0.021 0.000 1.137 177 L HN 0.549 nan 8.230 nan 0.000 0.457 178 S N -0.394 115.296 115.700 -0.016 0.000 2.586 178 S HA 0.222 4.692 4.470 0.000 0.000 0.274 178 S C 1.191 175.790 174.600 -0.001 0.000 1.281 178 S CA -0.423 57.778 58.200 0.000 0.000 1.035 178 S CB 0.594 63.802 63.200 0.013 0.000 0.962 178 S HN 0.325 nan 8.310 nan 0.000 0.512 179 N N 2.733 121.433 118.700 0.000 0.000 2.254 179 N HA 0.150 4.890 4.740 0.000 0.000 0.190 179 N C -0.302 175.207 175.510 -0.001 0.000 1.107 179 N CA 0.044 53.093 53.050 -0.001 0.000 0.869 179 N CB 0.110 38.594 38.487 -0.005 0.000 0.983 179 N HN 0.544 nan 8.380 nan 0.000 0.487 180 L N 2.141 123.366 121.223 0.003 0.000 2.500 180 L HA 0.114 4.454 4.340 0.000 0.000 0.272 180 L C 0.781 177.649 176.870 -0.004 0.000 1.149 180 L CA -0.353 54.487 54.840 0.000 0.000 0.897 180 L CB 0.247 42.311 42.059 0.008 0.000 1.178 180 L HN 0.029 nan 8.230 nan 0.000 0.473 181 A N 4.265 127.075 122.820 -0.017 0.000 2.520 181 A HA 0.189 4.509 4.320 0.000 0.000 0.235 181 A C 0.051 177.619 177.584 -0.027 0.000 1.065 181 A CA -0.328 51.695 52.037 -0.024 0.000 0.764 181 A CB 0.062 19.038 19.000 -0.041 0.000 1.002 181 A HN 0.828 nan 8.150 nan 0.000 0.502 182 c N 1.935 120.528 118.600 -0.012 0.000 2.341 182 c HA 0.556 5.126 4.570 0.000 0.000 0.338 182 c C 0.331 174.406 174.090 -0.026 0.000 1.257 182 c CA -0.472 55.860 56.329 0.004 0.000 1.883 182 c CB -0.287 42.248 42.510 0.043 0.000 2.334 182 c HN 0.636 nan 8.230 nan 0.000 0.524 183 I N 3.136 123.677 120.570 -0.049 0.000 2.337 183 I HA 0.290 4.460 4.170 0.000 0.000 0.285 183 I C 1.067 177.234 176.117 0.083 0.000 1.041 183 I CA -0.094 61.156 61.300 -0.084 0.000 1.199 183 I CB 0.524 38.280 38.000 -0.408 0.000 1.370 183 I HN 0.754 nan 8.210 nan 0.000 0.470 184 R N 2.291 122.830 120.500 0.066 0.000 2.297 184 R HA 0.070 4.410 4.340 0.000 0.000 0.197 184 R C -0.162 176.183 176.300 0.075 0.000 0.943 184 R CA 0.049 56.200 56.100 0.085 0.000 1.038 184 R CB -0.047 30.281 30.300 0.047 0.000 0.957 184 R HN 0.580 nan 8.270 nan 0.000 0.484 185 D N 1.963 122.402 120.400 0.064 0.000 2.425 185 D HA 0.063 4.703 4.640 0.000 0.000 0.247 185 D C 0.269 176.537 176.300 -0.053 0.000 1.147 185 D CA 0.354 54.318 54.000 -0.060 0.000 0.879 185 D CB 0.898 41.626 40.800 -0.121 0.000 1.179 185 D HN -0.039 nan 8.370 nan 0.000 0.456 186 I N -1.431 118.998 120.570 -0.235 0.000 3.100 186 I HA 0.590 4.760 4.170 0.000 0.000 0.312 186 I C -0.641 175.128 176.117 -0.581 0.000 1.063 186 I CA -1.079 60.141 61.300 -0.134 0.000 1.031 186 I CB 0.665 38.696 38.000 0.052 0.000 1.243 186 I HN 0.065 nan 8.210 nan 0.000 0.483 187 F N 2.348 122.265 119.950 -0.053 0.000 2.771 187 F HA 0.503 5.030 4.527 0.000 0.000 0.365 187 F C -2.489 173.229 175.800 -0.136 0.000 1.169 187 F CA -1.700 56.236 58.000 -0.106 0.000 1.093 187 F CB 1.643 40.527 39.000 -0.193 0.000 1.363 187 F HN 0.272 nan 8.300 nan 0.000 0.496 188 P HA 0.154 nan 4.420 nan 0.000 0.278 188 P C -0.596 176.715 177.300 0.018 0.000 1.238 188 P CA -0.090 63.021 63.100 0.017 0.000 0.794 188 P CB 0.891 32.603 31.700 0.020 0.000 0.955 189 N N -1.251 117.458 118.700 0.014 0.000 2.754 189 N HA -0.101 4.639 4.740 0.000 0.000 0.248 189 N C -0.800 174.707 175.510 -0.005 0.000 1.093 189 N CA 0.734 53.802 53.050 0.031 0.000 0.699 189 N CB -1.433 37.079 38.487 0.041 0.000 1.016 189 N HN 0.499 nan 8.380 nan 0.000 0.552 190 T N -0.627 113.876 114.554 -0.085 0.000 2.900 190 T HA 0.716 5.066 4.350 0.000 0.000 0.303 190 T C -0.337 174.137 174.700 -0.376 0.000 1.142 190 T CA -0.609 61.373 62.100 -0.197 0.000 1.007 190 T CB 2.675 71.414 68.868 -0.214 0.000 1.156 190 T HN 0.261 nan 8.240 nan 0.000 0.490 191 V N -0.674 118.985 119.914 -0.424 0.000 2.888 191 V HA 0.879 4.999 4.120 0.000 0.000 0.309 191 V C -1.650 174.181 176.094 -0.437 0.000 1.114 191 V CA -1.119 60.912 62.300 -0.448 0.000 0.940 191 V CB 1.468 33.228 31.823 -0.105 0.000 1.021 191 V HN 0.695 nan 8.190 nan 0.000 0.426 192 F N 1.617 121.455 119.950 -0.187 0.000 2.509 192 F HA 0.955 5.482 4.527 0.000 0.000 0.334 192 F C 0.710 176.486 175.800 -0.040 0.000 1.060 192 F CA -0.788 57.105 58.000 -0.179 0.000 0.997 192 F CB 2.138 40.978 39.000 -0.265 0.000 1.271 192 F HN 0.969 nan 8.300 nan 0.000 0.488 193 A N 1.474 124.427 122.820 0.222 0.000 3.330 193 A HA 0.501 4.821 4.320 0.000 0.000 0.256 193 A C -1.330 176.331 177.584 0.128 0.000 1.185 193 A CA -0.565 51.565 52.037 0.154 0.000 0.940 193 A CB -0.567 18.498 19.000 0.109 0.000 1.397 193 A HN 0.662 nan 8.150 nan 0.000 0.678 194 D N -0.100 120.402 120.400 0.169 0.000 2.666 194 D HA 0.592 5.232 4.640 0.000 0.000 0.252 194 D C 0.428 176.781 176.300 0.088 0.000 1.143 194 D CA -0.354 53.728 54.000 0.135 0.000 1.096 194 D CB 0.673 41.608 40.800 0.225 0.000 1.260 194 D HN 0.216 nan 8.370 nan 0.000 0.633 195 S N 0.142 115.870 115.700 0.047 0.000 2.599 195 S HA 0.016 4.486 4.470 0.000 0.000 0.303 195 S C -0.338 174.251 174.600 -0.019 0.000 1.267 195 S CA 0.248 58.453 58.200 0.008 0.000 1.055 195 S CB -0.251 62.943 63.200 -0.010 0.000 0.790 195 S HN 0.276 nan 8.310 nan 0.000 0.500 196 N N 1.454 120.148 118.700 -0.009 0.000 2.558 196 N HA 0.328 5.068 4.740 0.000 0.000 0.242 196 N C 0.742 176.227 175.510 -0.040 0.000 0.979 196 N CA -0.435 52.603 53.050 -0.020 0.000 0.931 196 N CB 0.687 39.183 38.487 0.015 0.000 1.122 196 N HN 0.583 nan 8.380 nan 0.000 0.508 197 I N -1.683 118.831 120.570 -0.094 0.000 3.059 197 I HA 0.371 4.541 4.170 0.000 0.000 0.270 197 I C 0.228 176.301 176.117 -0.073 0.000 1.238 197 I CA 0.719 61.965 61.300 -0.090 0.000 1.478 197 I CB -0.129 37.781 38.000 -0.150 0.000 1.097 197 I HN 0.225 nan 8.210 nan 0.000 0.455 198 D N -0.832 119.517 120.400 -0.085 0.000 2.926 198 D HA 0.461 5.101 4.640 0.000 0.000 0.282 198 D C -1.429 174.862 176.300 -0.016 0.000 1.201 198 D CA 0.255 54.240 54.000 -0.024 0.000 0.735 198 D CB 1.037 41.857 40.800 0.033 0.000 1.257 198 D HN 0.214 nan 8.370 nan 0.000 0.428 199 S N -0.193 115.517 115.700 0.017 0.000 2.579 199 S HA 0.889 5.359 4.470 0.000 0.000 0.272 199 S C -0.998 173.613 174.600 0.018 0.000 1.141 199 S CA -0.101 58.111 58.200 0.020 0.000 0.843 199 S CB 1.314 64.528 63.200 0.024 0.000 1.122 199 S HN 1.210 nan 8.310 nan 0.000 0.468 200 V N -1.089 118.831 119.914 0.010 0.000 3.232 200 V HA 0.687 4.807 4.120 0.000 0.000 0.303 200 V C -1.106 174.973 176.094 -0.025 0.000 1.311 200 V CA -1.200 61.091 62.300 -0.014 0.000 1.061 200 V CB 1.941 33.750 31.823 -0.024 0.000 1.085 200 V HN 0.907 nan 8.190 nan 0.000 0.447 201 M N 2.130 121.684 119.600 -0.077 0.000 2.129 201 M HA 0.788 5.268 4.480 0.000 0.000 0.348 201 M C -0.080 176.128 176.300 -0.153 0.000 1.116 201 M CA -0.196 55.043 55.300 -0.100 0.000 1.022 201 M CB 0.839 33.342 32.600 -0.162 0.000 1.599 201 M HN 1.139 nan 8.290 nan 0.000 0.449 202 A N 6.388 129.204 122.820 -0.008 0.000 2.365 202 A HA 0.856 5.176 4.320 0.000 0.000 0.318 202 A C -2.008 175.540 177.584 -0.061 0.000 1.091 202 A CA -1.185 50.784 52.037 -0.113 0.000 0.763 202 A CB 1.455 20.355 19.000 -0.168 0.000 1.248 202 A HN 0.572 nan 8.150 nan 0.000 0.442 203 P HA 0.050 nan 4.420 nan 0.000 0.226 203 P C -0.118 177.025 177.300 -0.263 0.000 1.161 203 P CA 0.873 63.788 63.100 -0.309 0.000 0.804 203 P CB 0.314 31.529 31.700 -0.807 0.000 0.829 204 D N -1.372 118.784 120.400 -0.407 0.000 2.384 204 D HA 0.508 5.148 4.640 0.000 0.000 0.250 204 D C 0.762 176.413 176.300 -1.082 0.000 1.029 204 D CA -0.602 53.106 54.000 -0.488 0.000 0.990 204 D CB 1.366 42.034 40.800 -0.221 0.000 1.175 204 D HN -0.192 nan 8.370 nan 0.000 0.532 205 A N 0.398 122.623 122.820 -0.991 0.000 2.220 205 A HA 0.159 4.479 4.320 0.000 0.000 0.211 205 A C 1.453 178.868 177.584 -0.281 0.000 1.176 205 A CA 0.135 51.582 52.037 -0.983 0.000 0.834 205 A CB -0.416 18.325 19.000 -0.432 0.000 0.868 205 A HN 0.595 nan 8.150 nan 0.000 0.488 206 F N -0.670 119.077 119.950 -0.337 0.000 2.118 206 F HA -0.118 4.409 4.527 0.000 0.000 0.293 206 F C 2.381 178.013 175.800 -0.280 0.000 1.102 206 F CA 0.769 58.643 58.000 -0.210 0.000 1.247 206 F CB -0.110 38.831 39.000 -0.099 0.000 1.017 206 F HN 0.016 nan 8.300 nan 0.000 0.475 207 V N -0.151 119.686 119.914 -0.128 0.000 2.282 207 V HA -0.395 3.725 4.120 0.000 0.000 0.249 207 V C 2.537 178.413 176.094 -0.364 0.000 1.057 207 V CA 1.813 63.906 62.300 -0.345 0.000 1.032 207 V CB -0.820 30.662 31.823 -0.569 0.000 0.645 207 V HN 0.646 nan 8.190 nan 0.000 0.447 208 c N 1.004 119.334 118.600 -0.451 0.000 2.359 208 c HA -0.211 4.359 4.570 0.000 0.000 0.277 208 c C 3.037 176.666 174.090 -0.769 0.000 1.192 208 c CA 1.513 57.539 56.329 -0.504 0.000 1.759 208 c CB -1.587 40.645 42.510 -0.462 0.000 2.038 208 c HN 0.651 nan 8.230 nan 0.000 0.448 209 G N -0.512 107.691 108.800 -0.996 0.000 2.475 209 G HA2 -0.234 3.726 3.960 0.000 0.000 0.220 209 G HA3 -0.234 3.726 3.960 0.000 0.000 0.220 209 G C 1.852 176.446 174.900 -0.510 0.000 1.125 209 G CA 0.858 45.279 45.100 -1.132 0.000 0.755 209 G HN 0.740 nan 8.290 nan 0.000 0.565 210 R N -0.288 120.023 120.500 -0.314 0.000 2.073 210 R HA 0.031 4.371 4.340 0.000 0.000 0.234 210 R C 2.623 178.727 176.300 -0.326 0.000 1.134 210 R CA 1.187 57.176 56.100 -0.185 0.000 0.952 210 R CB -0.371 29.933 30.300 0.007 0.000 0.850 210 R HN 0.401 nan 8.270 nan 0.000 0.433 211 I N 0.031 120.366 120.570 -0.393 0.000 2.163 211 I HA -0.394 3.776 4.170 0.000 0.000 0.243 211 I C 2.819 178.537 176.117 -0.666 0.000 1.085 211 I CA 1.056 61.973 61.300 -0.638 0.000 1.347 211 I CB -0.487 37.318 38.000 -0.325 0.000 1.044 211 I HN 0.362 nan 8.210 nan 0.000 0.408 212 c N 0.977 119.321 118.600 -0.428 0.000 2.391 212 c HA -0.246 4.324 4.570 0.000 0.000 0.276 212 c C 3.047 177.016 174.090 -0.201 0.000 1.217 212 c CA 2.202 58.376 56.329 -0.259 0.000 1.766 212 c CB -1.175 41.201 42.510 -0.223 0.000 2.046 212 c HN 0.517 nan 8.230 nan 0.000 0.475 213 T N 0.059 114.468 114.554 -0.241 0.000 2.699 213 T HA -0.218 4.132 4.350 0.000 0.000 0.268 213 T C 0.845 175.504 174.700 -0.069 0.000 1.036 213 T CA 2.146 64.178 62.100 -0.113 0.000 1.147 213 T CB -0.533 68.291 68.868 -0.073 0.000 0.862 213 T HN 0.963 nan 8.240 nan 0.000 0.446 214 H N -0.706 118.322 119.070 -0.070 0.000 2.533 214 H HA 0.433 4.989 4.556 0.000 0.000 0.281 214 H C 1.123 176.429 175.328 -0.036 0.000 1.238 214 H CA -0.608 55.410 56.048 -0.049 0.000 1.024 214 H CB -0.512 29.147 29.762 -0.170 0.000 1.604 214 H HN 0.252 nan 8.280 nan 0.000 0.531 215 H N 1.978 121.002 119.070 -0.076 0.000 2.306 215 H HA 0.121 4.677 4.556 0.000 0.000 0.307 215 H C -1.121 174.209 175.328 0.002 0.000 1.061 215 H CA 0.533 56.556 56.048 -0.042 0.000 1.359 215 H CB 0.046 29.758 29.762 -0.084 0.000 1.407 215 H HN 0.487 nan 8.280 nan 0.000 0.517 216 P HA 0.259 nan 4.420 nan 0.000 0.269 216 P C 0.671 178.175 177.300 0.341 0.000 1.857 216 P CA 0.118 63.347 63.100 0.215 0.000 1.213 216 P CB 0.454 32.251 31.700 0.161 0.000 1.702 217 G N -0.702 108.423 108.800 0.541 0.000 2.603 217 G HA2 -0.074 3.886 3.960 0.000 0.000 0.214 217 G HA3 -0.074 3.886 3.960 0.000 0.000 0.214 217 G C 0.217 175.066 174.900 -0.085 0.000 1.140 217 G CA 0.100 45.369 45.100 0.281 0.000 0.800 217 G HN 0.469 nan 8.290 nan 0.000 0.533 218 c N 1.085 119.587 118.600 -0.164 0.000 2.482 218 c HA 0.530 5.100 4.570 0.000 0.000 0.378 218 c C 1.417 175.399 174.090 -0.180 0.000 1.284 218 c CA -0.610 55.565 56.329 -0.256 0.000 1.826 218 c CB 0.212 42.594 42.510 -0.212 0.000 2.473 218 c HN 0.283 nan 8.230 nan 0.000 0.562 219 L N 5.854 126.866 121.223 -0.352 0.000 2.609 219 L HA 0.559 4.899 4.340 0.000 0.000 0.230 219 L C 0.052 176.888 176.870 -0.056 0.000 1.087 219 L CA 0.794 55.472 54.840 -0.270 0.000 0.874 219 L CB -0.328 41.472 42.059 -0.430 0.000 1.114 219 L HN 0.862 nan 8.230 nan 0.000 0.488 220 F N -3.735 116.221 119.950 0.009 0.000 3.032 220 F HA 0.492 5.019 4.527 0.000 0.000 0.331 220 F C -1.026 174.822 175.800 0.080 0.000 1.125 220 F CA -2.045 55.934 58.000 -0.034 0.000 0.873 220 F CB 0.480 39.132 39.000 -0.580 0.000 1.374 220 F HN -0.135 nan 8.300 nan 0.000 0.452 221 F N -1.607 118.506 119.950 0.272 0.000 3.016 221 F HA 0.945 5.472 4.527 0.000 0.000 0.324 221 F C -1.442 174.480 175.800 0.204 0.000 1.196 221 F CA -1.329 56.780 58.000 0.181 0.000 0.929 221 F CB 1.426 40.448 39.000 0.037 0.000 1.440 221 F HN 0.645 nan 8.300 nan 0.000 0.505 222 T N 1.162 115.730 114.554 0.024 0.000 2.956 222 T HA 0.535 4.885 4.350 0.000 0.000 0.312 222 T C -2.317 172.294 174.700 -0.148 0.000 1.151 222 T CA -0.324 61.608 62.100 -0.281 0.000 1.024 222 T CB 1.619 70.256 68.868 -0.385 0.000 1.140 222 T HN 0.681 nan 8.240 nan 0.000 0.473 223 F N 2.874 122.526 119.950 -0.497 0.000 2.520 223 F HA 0.762 5.289 4.527 0.000 0.000 0.322 223 F C -1.806 173.475 175.800 -0.865 0.000 1.103 223 F CA -1.635 56.093 58.000 -0.454 0.000 0.926 223 F CB 1.025 39.958 39.000 -0.111 0.000 1.154 223 F HN 0.513 nan 8.300 nan 0.000 0.453 224 F N 4.397 123.672 119.950 -1.125 0.000 2.332 224 F HA 0.329 4.856 4.527 0.000 0.000 0.368 224 F C 0.670 175.835 175.800 -1.058 0.000 1.110 224 F CA -0.762 56.586 58.000 -1.086 0.000 1.087 224 F CB 1.122 39.348 39.000 -1.289 0.000 1.235 224 F HN 0.560 nan 8.300 nan 0.000 0.470 225 S N 1.855 117.307 115.700 -0.413 0.000 2.564 225 S HA -0.141 4.329 4.470 0.000 0.000 0.263 225 S C 1.335 175.920 174.600 -0.025 0.000 1.378 225 S CA -0.137 57.996 58.200 -0.112 0.000 0.996 225 S CB 0.640 63.911 63.200 0.118 0.000 0.881 225 S HN 0.859 nan 8.310 nan 0.000 0.555 226 Q N 0.251 120.081 119.800 0.049 0.000 2.291 226 Q HA -0.139 4.201 4.340 0.000 0.000 0.206 226 Q C 0.967 177.013 176.000 0.077 0.000 0.976 226 Q CA 1.692 57.516 55.803 0.035 0.000 0.875 226 Q CB -0.193 28.553 28.738 0.012 0.000 0.927 226 Q HN 0.898 nan 8.270 nan 0.000 0.450 227 E N -0.009 120.262 120.200 0.119 0.000 2.394 227 E HA 0.033 4.383 4.350 0.000 0.000 0.191 227 E C -0.764 175.936 176.600 0.168 0.000 1.044 227 E CA -0.494 55.980 56.400 0.124 0.000 0.939 227 E CB 0.016 29.780 29.700 0.107 0.000 1.089 227 E HN 0.324 nan 8.360 nan 0.000 0.456 228 W N 1.999 123.291 121.300 -0.014 0.000 2.216 228 W HA 0.059 4.719 4.660 0.000 0.000 0.326 228 W C -2.089 174.410 176.519 -0.033 0.000 1.319 228 W CA -2.087 55.252 57.345 -0.010 0.000 1.213 228 W CB 0.744 30.202 29.460 -0.003 0.000 1.171 228 W HN 0.050 nan 8.180 nan 0.000 0.557 229 P HA -0.239 nan 4.420 nan 0.000 0.207 229 P C -0.225 176.886 177.300 -0.315 0.000 0.954 229 P CA 2.221 65.006 63.100 -0.525 0.000 0.990 229 P CB -0.021 31.222 31.700 -0.761 0.000 0.721 230 K N 0.967 121.158 120.400 -0.349 0.000 2.046 230 K HA -0.077 4.243 4.320 0.000 0.000 0.248 230 K C 1.202 177.834 176.600 0.053 0.000 1.123 230 K CA 0.381 56.612 56.287 -0.094 0.000 1.145 230 K CB -0.391 32.081 32.500 -0.047 0.000 1.028 230 K HN 0.283 nan 8.250 nan 0.000 0.354 231 E N 0.944 121.159 120.200 0.025 0.000 2.352 231 E HA -0.302 4.048 4.350 0.000 0.000 0.203 231 E C 1.207 177.834 176.600 0.046 0.000 1.024 231 E CA 2.033 58.465 56.400 0.053 0.000 0.842 231 E CB -0.339 29.374 29.700 0.021 0.000 0.753 231 E HN 0.467 nan 8.360 nan 0.000 0.508 232 S N -0.536 115.182 115.700 0.030 0.000 2.547 232 S HA -0.152 4.318 4.470 0.000 0.000 0.235 232 S C 1.383 175.978 174.600 -0.009 0.000 0.980 232 S CA 0.934 59.137 58.200 0.005 0.000 0.941 232 S CB -0.220 62.975 63.200 -0.007 0.000 0.763 232 S HN 0.500 nan 8.310 nan 0.000 0.532 233 Q N -0.074 119.740 119.800 0.023 0.000 2.139 233 Q HA 0.299 4.639 4.340 0.000 0.000 0.219 233 Q C -0.420 175.514 176.000 -0.110 0.000 0.805 233 Q CA -0.350 55.395 55.803 -0.097 0.000 1.024 233 Q CB 0.699 29.265 28.738 -0.286 0.000 1.163 233 Q HN 0.423 nan 8.270 nan 0.000 0.485 234 R N 1.121 121.617 120.500 -0.006 0.000 2.491 234 R HA 0.139 4.479 4.340 0.000 0.000 0.283 234 R C 0.055 176.268 176.300 -0.144 0.000 1.072 234 R CA 0.284 56.357 56.100 -0.045 0.000 1.048 234 R CB 0.119 30.433 30.300 0.024 0.000 0.983 234 R HN 0.316 nan 8.270 nan 0.000 0.450 235 N N -0.314 118.200 118.700 -0.309 0.000 2.828 235 N HA -0.219 4.521 4.740 0.000 0.000 0.248 235 N C -0.736 174.668 175.510 -0.177 0.000 1.044 235 N CA 0.198 53.115 53.050 -0.222 0.000 0.851 235 N CB -0.822 37.642 38.487 -0.038 0.000 1.136 235 N HN 0.311 nan 8.380 nan 0.000 0.572 236 L N 1.151 122.215 121.223 -0.265 0.000 2.360 236 L HA 0.407 4.747 4.340 0.000 0.000 0.276 236 L C 0.001 176.847 176.870 -0.041 0.000 1.121 236 L CA -0.310 54.480 54.840 -0.083 0.000 0.845 236 L CB 0.993 43.040 42.059 -0.021 0.000 1.143 236 L HN 0.289 nan 8.230 nan 0.000 0.452 237 c N 7.311 125.970 118.600 0.098 0.000 2.291 237 c HA 0.478 5.048 4.570 0.000 0.000 0.322 237 c C -0.193 173.966 174.090 0.115 0.000 1.205 237 c CA -1.014 55.433 56.329 0.196 0.000 1.495 237 c CB -0.883 41.747 42.510 0.200 0.000 2.127 237 c HN 0.827 nan 8.230 nan 0.000 0.452 238 L N 6.230 127.527 121.223 0.124 0.000 2.305 238 L HA 0.418 4.758 4.340 0.000 0.000 0.281 238 L C -0.212 176.722 176.870 0.105 0.000 1.085 238 L CA -0.178 54.727 54.840 0.108 0.000 0.813 238 L CB 1.147 43.290 42.059 0.140 0.000 1.157 238 L HN 0.580 nan 8.230 nan 0.000 0.436 239 L N 5.161 126.391 121.223 0.012 0.000 2.264 239 L HA 0.397 4.737 4.340 0.000 0.000 0.287 239 L C -0.070 176.707 176.870 -0.155 0.000 1.039 239 L CA -0.382 54.409 54.840 -0.082 0.000 0.829 239 L CB 0.742 42.670 42.059 -0.219 0.000 1.211 239 L HN 0.594 nan 8.230 nan 0.000 0.427 240 K N 1.621 121.904 120.400 -0.196 0.000 2.211 240 K HA 0.800 5.120 4.320 0.000 0.000 0.237 240 K C -0.331 175.760 176.600 -0.848 0.000 1.002 240 K CA -0.719 55.349 56.287 -0.364 0.000 0.885 240 K CB 2.381 34.827 32.500 -0.091 0.000 1.136 240 K HN 0.405 nan 8.250 nan 0.000 0.448 241 T N -0.745 113.375 114.554 -0.724 0.000 2.749 241 T HA 0.475 4.825 4.350 0.000 0.000 0.310 241 T C -2.020 172.564 174.700 -0.192 0.000 1.496 241 T CA -0.634 61.076 62.100 -0.650 0.000 1.006 241 T CB 1.340 70.016 68.868 -0.320 0.000 1.457 241 T HN 0.739 nan 8.240 nan 0.000 0.497 242 S N 1.044 116.743 115.700 -0.003 0.000 2.543 242 S HA 0.435 4.905 4.470 0.000 0.000 0.274 242 S C 0.589 175.279 174.600 0.149 0.000 1.149 242 S CA -0.673 57.598 58.200 0.119 0.000 0.866 242 S CB 1.505 64.835 63.200 0.218 0.000 1.111 242 S HN 0.806 nan 8.310 nan 0.000 0.457 243 E N 1.444 121.677 120.200 0.056 0.000 2.086 243 E HA -0.197 4.153 4.350 0.000 0.000 0.200 243 E C 1.924 178.548 176.600 0.041 0.000 1.012 243 E CA 1.701 58.078 56.400 -0.038 0.000 0.812 243 E CB -0.231 29.439 29.700 -0.050 0.000 0.743 243 E HN 0.685 nan 8.360 nan 0.000 0.453 244 S N -1.293 114.453 115.700 0.077 0.000 2.382 244 S HA -0.129 4.341 4.470 0.000 0.000 0.228 244 S C 1.651 176.341 174.600 0.151 0.000 1.027 244 S CA 1.958 60.209 58.200 0.086 0.000 0.991 244 S CB -0.148 63.084 63.200 0.054 0.000 0.823 244 S HN 0.518 nan 8.310 nan 0.000 0.469 245 G N -0.074 108.852 108.800 0.211 0.000 2.313 245 G HA2 -0.163 3.797 3.960 0.000 0.000 0.215 245 G HA3 -0.163 3.797 3.960 0.000 0.000 0.215 245 G C 0.007 175.099 174.900 0.320 0.000 1.023 245 G CA 0.106 45.328 45.100 0.203 0.000 0.626 245 G HN 0.540 nan 8.290 nan 0.000 0.503 246 L N 2.766 124.100 121.223 0.185 0.000 2.334 246 L HA 0.505 4.845 4.340 0.000 0.000 0.275 246 L C -1.829 174.895 176.870 -0.243 0.000 1.036 246 L CA -2.311 52.554 54.840 0.041 0.000 0.807 246 L CB 1.373 43.424 42.059 -0.013 0.000 1.231 246 L HN 0.004 nan 8.230 nan 0.000 0.438 247 P HA -0.040 nan 4.420 nan 0.000 0.262 247 P C 0.667 177.728 177.300 -0.399 0.000 1.182 247 P CA 0.030 62.492 63.100 -1.063 0.000 0.761 247 P CB 0.987 31.474 31.700 -2.023 0.000 0.795 248 S N 2.948 118.540 115.700 -0.180 0.000 2.380 248 S HA -0.153 4.317 4.470 0.000 0.000 0.229 248 S C 0.977 175.528 174.600 -0.082 0.000 1.050 248 S CA 1.708 59.861 58.200 -0.077 0.000 1.100 248 S CB -1.428 61.760 63.200 -0.019 0.000 0.984 248 S HN 0.796 nan 8.310 nan 0.000 0.434 249 T N -0.679 113.833 114.554 -0.070 0.000 2.816 249 T HA 0.656 5.006 4.350 0.000 0.000 0.299 249 T C -1.308 173.407 174.700 0.026 0.000 1.230 249 T CA -1.270 60.811 62.100 -0.032 0.000 1.007 249 T CB 2.036 70.900 68.868 -0.007 0.000 1.289 249 T HN 0.661 nan 8.240 nan 0.000 0.508 250 R N 1.243 121.752 120.500 0.015 0.000 2.439 250 R HA 0.629 4.969 4.340 0.000 0.000 0.310 250 R C -1.832 174.437 176.300 -0.053 0.000 0.955 250 R CA -0.825 55.268 56.100 -0.011 0.000 0.853 250 R CB 0.607 30.855 30.300 -0.086 0.000 1.171 250 R HN 0.564 nan 8.270 nan 0.000 0.449 251 I N 2.627 123.155 120.570 -0.071 0.000 2.359 251 I HA 0.263 4.433 4.170 0.000 0.000 0.294 251 I C 0.590 176.683 176.117 -0.039 0.000 0.987 251 I CA -0.632 60.649 61.300 -0.032 0.000 1.225 251 I CB 1.312 39.316 38.000 0.008 0.000 1.366 251 I HN 0.375 nan 8.210 nan 0.000 0.466 252 K N 6.285 126.680 120.400 -0.009 0.000 2.350 252 K HA 0.343 4.663 4.320 0.000 0.000 0.279 252 K C -0.640 175.982 176.600 0.036 0.000 1.027 252 K CA 0.042 56.332 56.287 0.005 0.000 0.969 252 K CB 0.362 32.869 32.500 0.013 0.000 0.954 252 K HN 0.680 nan 8.250 nan 0.000 0.474 253 K N 1.877 122.312 120.400 0.058 0.000 2.594 253 K HA 0.084 4.404 4.320 0.000 0.000 0.274 253 K C -1.139 175.562 176.600 0.169 0.000 1.025 253 K CA -0.195 56.166 56.287 0.123 0.000 1.010 253 K CB 0.648 33.274 32.500 0.210 0.000 1.377 253 K HN 0.602 nan 8.250 nan 0.000 0.429 254 S N 2.218 118.001 115.700 0.138 0.000 2.580 254 S HA 0.068 4.538 4.470 0.000 0.000 0.266 254 S C 0.065 174.840 174.600 0.293 0.000 1.354 254 S CA 0.241 58.530 58.200 0.148 0.000 1.008 254 S CB 0.521 63.766 63.200 0.075 0.000 0.898 254 S HN 0.680 nan 8.310 nan 0.000 0.555 255 K N -1.442 119.096 120.400 0.231 0.000 3.349 255 K HA -0.188 4.132 4.320 0.000 0.000 0.310 255 K C -0.324 176.441 176.600 0.274 0.000 1.267 255 K CA 1.120 57.584 56.287 0.295 0.000 0.920 255 K CB -1.870 30.864 32.500 0.391 0.000 1.240 255 K HN 0.683 nan 8.250 nan 0.000 0.453 256 A N 0.363 123.274 122.820 0.152 0.000 2.343 256 A HA 0.700 5.020 4.320 0.000 0.000 0.308 256 A C -1.153 176.346 177.584 -0.142 0.000 1.092 256 A CA -0.737 51.209 52.037 -0.152 0.000 0.751 256 A CB 1.367 20.217 19.000 -0.251 0.000 1.203 256 A HN 0.093 nan 8.150 nan 0.000 0.452 257 L N 1.887 123.018 121.223 -0.154 0.000 2.346 257 L HA 0.818 5.158 4.340 0.000 0.000 0.276 257 L C -0.562 176.160 176.870 -0.247 0.000 1.006 257 L CA 0.017 54.803 54.840 -0.091 0.000 0.817 257 L CB 1.832 43.931 42.059 0.067 0.000 1.272 257 L HN 0.665 nan 8.230 nan 0.000 0.421 258 S N 2.139 117.630 115.700 -0.349 0.000 2.570 258 S HA 0.987 5.457 4.470 0.000 0.000 0.286 258 S C -0.141 174.180 174.600 -0.465 0.000 1.099 258 S CA -0.264 57.514 58.200 -0.702 0.000 0.913 258 S CB 2.086 64.520 63.200 -1.275 0.000 1.085 258 S HN 1.058 nan 8.310 nan 0.000 0.480 259 G N 0.542 108.769 108.800 -0.955 0.000 2.682 259 G HA2 0.712 4.672 3.960 0.000 0.000 0.303 259 G HA3 0.712 4.672 3.960 0.000 0.000 0.303 259 G C -2.030 172.729 174.900 -0.235 0.000 1.341 259 G CA -0.590 44.350 45.100 -0.267 0.000 0.784 259 G HN 0.449 nan 8.290 nan 0.000 0.497 260 F N 0.048 120.242 119.950 0.406 0.000 2.523 260 F HA 0.681 5.208 4.527 0.000 0.000 0.329 260 F C 0.926 176.952 175.800 0.378 0.000 1.061 260 F CA -0.661 57.571 58.000 0.387 0.000 0.967 260 F CB 2.390 41.535 39.000 0.243 0.000 1.218 260 F HN 0.362 nan 8.300 nan 0.000 0.480 261 S N 1.610 117.589 115.700 0.464 0.000 2.531 261 S HA 0.343 4.813 4.470 0.000 0.000 0.279 261 S C 0.014 174.739 174.600 0.209 0.000 1.305 261 S CA -0.472 57.874 58.200 0.242 0.000 1.058 261 S CB 0.005 63.286 63.200 0.134 0.000 0.899 261 S HN 0.581 nan 8.310 nan 0.000 0.493 262 L N 5.768 127.074 121.223 0.139 0.000 3.108 262 L HA 0.200 4.540 4.340 0.000 0.000 0.251 262 L C 1.800 178.726 176.870 0.095 0.000 1.315 262 L CA -0.242 54.668 54.840 0.115 0.000 1.048 262 L CB -0.129 41.991 42.059 0.101 0.000 1.432 262 L HN 0.792 nan 8.230 nan 0.000 0.543 263 Q N -1.089 118.767 119.800 0.093 0.000 2.224 263 Q HA -0.169 4.171 4.340 0.000 0.000 0.203 263 Q C 2.036 178.092 176.000 0.092 0.000 0.970 263 Q CA 1.621 57.484 55.803 0.100 0.000 0.865 263 Q CB -0.201 28.595 28.738 0.097 0.000 0.922 263 Q HN 0.348 nan 8.270 nan 0.000 0.445 264 S N -0.830 114.913 115.700 0.072 0.000 2.515 264 S HA -0.025 4.445 4.470 0.000 0.000 0.231 264 S C 1.199 175.829 174.600 0.050 0.000 0.987 264 S CA 0.577 58.807 58.200 0.051 0.000 0.936 264 S CB -0.123 63.099 63.200 0.037 0.000 0.766 264 S HN 0.593 nan 8.310 nan 0.000 0.528 265 c N 1.205 119.850 118.600 0.075 0.000 3.336 265 c HA 0.406 4.976 4.570 0.000 0.000 0.291 265 c C 2.032 176.198 174.090 0.128 0.000 1.363 265 c CA -0.917 55.462 56.329 0.083 0.000 1.737 265 c CB -0.894 41.664 42.510 0.081 0.000 2.274 265 c HN 0.603 nan 8.230 nan 0.000 0.663 266 R N 1.150 121.756 120.500 0.177 0.000 2.259 266 R HA -0.217 4.123 4.340 0.000 0.000 0.247 266 R C -0.007 176.454 176.300 0.268 0.000 1.114 266 R CA 1.668 57.923 56.100 0.258 0.000 0.926 266 R CB -0.890 29.642 30.300 0.387 0.000 0.937 266 R HN 0.583 nan 8.270 nan 0.000 0.434 267 H N -0.570 118.519 119.070 0.033 0.000 3.157 267 H HA 0.236 4.792 4.556 0.000 0.000 0.260 267 H C 0.368 175.675 175.328 -0.035 0.000 1.232 267 H CA 0.092 56.142 56.048 0.004 0.000 1.488 267 H CB 1.166 30.927 29.762 -0.003 0.000 1.548 267 H HN 0.281 nan 8.280 nan 0.000 0.487 268 S N 1.782 117.508 115.700 0.043 0.000 4.690 268 S HA -0.043 4.427 4.470 0.000 0.000 0.041 268 S C -0.666 173.935 174.600 0.001 0.000 0.865 268 S CA -0.311 57.849 58.200 -0.067 0.000 0.908 268 S CB -0.980 62.177 63.200 -0.071 0.000 0.345 268 S HN 0.360 nan 8.310 nan 0.000 0.803 269 I N 2.507 123.094 120.570 0.028 0.000 2.771 269 I HA 0.514 4.684 4.170 0.000 0.000 0.291 269 I C -2.707 173.418 176.117 0.013 0.000 1.527 269 I CA -1.279 60.036 61.300 0.026 0.000 1.024 269 I CB 2.074 40.093 38.000 0.032 0.000 1.388 269 I HN -0.071 nan 8.210 nan 0.000 0.447 270 P HA 0.177 nan 4.420 nan 0.000 0.271 270 P C -0.424 176.866 177.300 -0.017 0.000 1.216 270 P CA 0.116 63.209 63.100 -0.013 0.000 0.776 270 P CB 1.740 33.423 31.700 -0.028 0.000 0.881 271 V N 1.728 121.644 119.914 0.003 0.000 3.141 271 V HA 0.113 4.233 4.120 0.000 0.000 0.225 271 V C 1.023 176.970 176.094 -0.245 0.000 1.352 271 V CA 0.756 63.032 62.300 -0.039 0.000 1.316 271 V CB -0.432 31.443 31.823 0.086 0.000 1.126 271 V HN 0.284 nan 8.190 nan 0.000 0.493 272 F N 0.914 120.761 119.950 -0.170 0.000 2.916 272 F HA 0.504 5.031 4.527 0.000 0.000 0.294 272 F C 0.190 175.766 175.800 -0.373 0.000 1.189 272 F CA -0.339 57.494 58.000 -0.279 0.000 1.369 272 F CB 0.656 39.541 39.000 -0.192 0.000 0.961 272 F HN 0.129 nan 8.300 nan 0.000 0.508 273 c N 0.999 119.359 118.600 -0.400 0.000 2.516 273 c HA 0.473 5.043 4.570 0.000 0.000 0.338 273 c C -0.721 173.115 174.090 -0.423 0.000 1.132 273 c CA -0.449 55.687 56.329 -0.321 0.000 1.310 273 c CB 0.164 42.611 42.510 -0.106 0.000 1.898 273 c HN 0.389 nan 8.230 nan 0.000 0.452 274 H N 3.628 122.655 119.070 -0.072 0.000 2.340 274 H HA 0.208 4.764 4.556 0.000 0.000 0.233 274 H C 0.331 175.688 175.328 0.048 0.000 1.435 274 H CA -0.007 56.002 56.048 -0.064 0.000 1.389 274 H CB 1.192 30.755 29.762 -0.331 0.000 1.491 274 H HN 0.619 nan 8.280 nan 0.000 0.518 275 S N 2.094 117.861 115.700 0.113 0.000 2.700 275 S HA 0.344 4.814 4.470 0.000 0.000 0.321 275 S C -0.359 174.287 174.600 0.077 0.000 1.161 275 S CA -0.080 58.167 58.200 0.079 0.000 1.078 275 S CB -0.486 62.756 63.200 0.071 0.000 1.302 275 S HN 0.463 nan 8.310 nan 0.000 0.540 276 S N 3.153 118.852 115.700 -0.001 0.000 2.606 276 S HA 0.421 4.891 4.470 0.000 0.000 0.290 276 S C -1.466 172.937 174.600 -0.328 0.000 1.103 276 S CA -0.721 57.430 58.200 -0.081 0.000 0.870 276 S CB 0.455 63.578 63.200 -0.129 0.000 1.077 276 S HN 0.570 nan 8.310 nan 0.000 0.448 277 F N 1.494 121.253 119.950 -0.319 0.000 2.470 277 F HA 0.619 5.146 4.527 0.000 0.000 0.329 277 F C -0.485 174.963 175.800 -0.587 0.000 1.072 277 F CA -0.568 57.249 58.000 -0.305 0.000 0.989 277 F CB 0.937 39.859 39.000 -0.130 0.000 1.193 277 F HN 0.509 nan 8.300 nan 0.000 0.481 278 Y N 0.845 121.134 120.300 -0.018 0.000 2.555 278 Y HA 0.328 4.878 4.550 0.000 0.000 0.326 278 Y C -0.366 175.455 175.900 -0.132 0.000 0.984 278 Y CA -0.948 57.107 58.100 -0.074 0.000 1.298 278 Y CB 0.051 38.384 38.460 -0.212 0.000 1.094 278 Y HN 0.516 nan 8.280 nan 0.000 0.500 279 H N 1.059 120.216 119.070 0.145 0.000 2.732 279 H HA 0.105 4.661 4.556 0.000 0.000 0.351 279 H C 0.315 175.690 175.328 0.078 0.000 1.090 279 H CA 0.563 56.672 56.048 0.102 0.000 1.431 279 H CB 0.524 30.335 29.762 0.082 0.000 1.447 279 H HN 0.528 nan 8.280 nan 0.000 0.582 280 D N 1.162 121.651 120.400 0.149 0.000 2.697 280 D HA -0.179 4.461 4.640 0.000 0.000 0.238 280 D C -1.027 175.305 176.300 0.053 0.000 1.152 280 D CA 1.113 55.176 54.000 0.104 0.000 0.666 280 D CB -0.904 39.990 40.800 0.157 0.000 1.037 280 D HN 0.610 nan 8.370 nan 0.000 0.423 281 T N 1.232 115.771 114.554 -0.024 0.000 3.172 281 T HA 0.418 4.768 4.350 0.000 0.000 0.320 281 T C -1.237 173.336 174.700 -0.212 0.000 1.085 281 T CA -0.851 61.191 62.100 -0.097 0.000 1.052 281 T CB 1.320 70.123 68.868 -0.108 0.000 1.107 281 T HN -0.051 nan 8.240 nan 0.000 0.458 282 D N 1.777 122.091 120.400 -0.143 0.000 2.492 282 D HA 0.405 5.045 4.640 0.000 0.000 0.248 282 D C -0.699 175.603 176.300 0.004 0.000 1.101 282 D CA -0.310 53.603 54.000 -0.145 0.000 0.840 282 D CB 1.070 41.809 40.800 -0.103 0.000 1.209 282 D HN 0.426 nan 8.370 nan 0.000 0.524 283 F N 2.285 122.112 119.950 -0.205 0.000 2.421 283 F HA 0.255 4.782 4.527 0.000 0.000 0.358 283 F C 0.611 176.338 175.800 -0.122 0.000 1.115 283 F CA -0.941 56.873 58.000 -0.309 0.000 1.160 283 F CB 0.673 39.331 39.000 -0.571 0.000 1.123 283 F HN 0.053 nan 8.300 nan 0.000 0.508 284 L N 3.236 124.501 121.223 0.070 0.000 2.418 284 L HA 0.699 5.039 4.340 0.000 0.000 0.265 284 L C 0.578 177.583 176.870 0.225 0.000 1.143 284 L CA -0.165 54.742 54.840 0.112 0.000 0.809 284 L CB 1.214 43.301 42.059 0.047 0.000 1.124 284 L HN 0.813 nan 8.230 nan 0.000 0.456 285 G N 1.497 110.450 108.800 0.255 0.000 2.340 285 G HA2 0.186 4.146 3.960 0.000 0.000 0.299 285 G HA3 0.186 4.146 3.960 0.000 0.000 0.299 285 G C -1.700 173.296 174.900 0.160 0.000 1.291 285 G CA -0.784 44.488 45.100 0.287 0.000 0.841 285 G HN 0.508 nan 8.290 nan 0.000 0.500 286 E N 0.385 120.644 120.200 0.098 0.000 2.354 286 E HA 0.321 4.671 4.350 0.000 0.000 0.269 286 E C -0.537 176.093 176.600 0.050 0.000 1.036 286 E CA -0.051 56.386 56.400 0.061 0.000 0.876 286 E CB 1.361 31.081 29.700 0.034 0.000 1.009 286 E HN 0.403 nan 8.360 nan 0.000 0.416 287 E N 2.079 122.319 120.200 0.067 0.000 2.115 287 E HA 0.059 4.409 4.350 0.000 0.000 0.282 287 E C 0.114 176.735 176.600 0.035 0.000 0.987 287 E CA -0.244 56.203 56.400 0.078 0.000 0.797 287 E CB 1.176 30.947 29.700 0.120 0.000 1.086 287 E HN 0.350 nan 8.360 nan 0.000 0.397 288 L N 2.887 124.121 121.223 0.019 0.000 2.202 288 L HA 0.169 4.509 4.340 0.000 0.000 0.205 288 L C -0.107 176.761 176.870 -0.003 0.000 1.083 288 L CA 1.564 56.404 54.840 -0.001 0.000 0.790 288 L CB 0.547 42.598 42.059 -0.015 0.000 0.942 288 L HN 0.608 nan 8.230 nan 0.000 0.452 289 D N -2.145 118.254 120.400 -0.002 0.000 2.751 289 D HA 0.307 4.947 4.640 0.000 0.000 0.236 289 D C -1.440 174.807 176.300 -0.089 0.000 1.196 289 D CA -0.327 53.651 54.000 -0.037 0.000 0.741 289 D CB 0.834 41.618 40.800 -0.028 0.000 1.474 289 D HN -0.019 nan 8.370 nan 0.000 0.452 290 I N 2.665 123.126 120.570 -0.181 0.000 2.382 290 I HA 0.540 4.710 4.170 0.000 0.000 0.285 290 I C -0.482 175.517 176.117 -0.196 0.000 1.007 290 I CA -1.088 59.997 61.300 -0.358 0.000 1.142 290 I CB 1.593 39.219 38.000 -0.624 0.000 1.289 290 I HN 0.210 nan 8.210 nan 0.000 0.453 291 V N 5.596 125.441 119.914 -0.114 0.000 2.960 291 V HA 0.807 4.927 4.120 0.000 0.000 0.315 291 V C 0.087 176.179 176.094 -0.003 0.000 1.087 291 V CA -0.502 61.769 62.300 -0.048 0.000 0.982 291 V CB 2.123 33.935 31.823 -0.018 0.000 1.039 291 V HN 0.798 nan 8.190 nan 0.000 0.437 292 A N 3.663 126.489 122.820 0.011 0.000 2.445 292 A HA 0.828 5.148 4.320 0.000 0.000 0.242 292 A C 0.210 177.851 177.584 0.094 0.000 1.075 292 A CA 0.432 52.497 52.037 0.047 0.000 0.777 292 A CB 0.272 19.291 19.000 0.031 0.000 1.013 292 A HN 2.395 nan 8.150 nan 0.000 0.493 293 A N 2.345 125.266 122.820 0.167 0.000 2.573 293 A HA 0.556 4.876 4.320 0.000 0.000 0.299 293 A C -0.798 176.963 177.584 0.295 0.000 1.060 293 A CA -0.863 51.296 52.037 0.204 0.000 0.736 293 A CB 0.931 20.073 19.000 0.237 0.000 1.280 293 A HN 0.970 nan 8.150 nan 0.000 0.401 294 K N 1.441 121.921 120.400 0.134 0.000 2.211 294 K HA 0.707 5.027 4.320 0.000 0.000 0.275 294 K C 0.098 176.670 176.600 -0.047 0.000 1.024 294 K CA 0.418 56.779 56.287 0.122 0.000 0.887 294 K CB 1.391 33.929 32.500 0.065 0.000 1.084 294 K HN 2.051 nan 8.250 nan 0.000 0.463 295 S N 1.511 117.144 115.700 -0.112 0.000 3.339 295 S HA -0.174 4.296 4.470 0.000 0.000 0.856 295 S C 0.328 174.430 174.600 -0.830 0.000 1.139 295 S CA 0.729 58.709 58.200 -0.367 0.000 1.044 295 S CB -0.945 62.198 63.200 -0.095 0.000 0.721 295 S HN 0.951 nan 8.310 nan 0.000 0.267 296 H N 2.757 121.234 119.070 -0.988 0.000 2.023 296 H HA 0.441 4.997 4.556 0.000 0.000 0.345 296 H C 1.408 176.581 175.328 -0.259 0.000 2.037 296 H CA 0.032 55.716 56.048 -0.606 0.000 1.367 296 H CB -0.058 29.690 29.762 -0.023 0.000 1.630 296 H HN 0.895 nan 8.280 nan 0.000 0.505 297 E N -1.498 118.756 120.200 0.089 0.000 4.609 297 E HA -0.404 3.946 4.350 0.000 0.000 0.178 297 E C 1.753 178.305 176.600 -0.081 0.000 1.274 297 E CA 1.244 57.668 56.400 0.040 0.000 2.344 297 E CB -1.649 27.958 29.700 -0.156 0.000 1.833 297 E HN 0.649 nan 8.360 nan 0.000 0.404 298 A N 0.578 123.326 122.820 -0.120 0.000 1.883 298 A HA -0.248 4.072 4.320 0.000 0.000 0.217 298 A C 2.382 179.883 177.584 -0.140 0.000 1.186 298 A CA 2.067 54.038 52.037 -0.109 0.000 0.624 298 A CB -1.019 17.918 19.000 -0.106 0.000 0.822 298 A HN 0.621 nan 8.150 nan 0.000 0.444 299 c N -0.747 117.741 118.600 -0.187 0.000 2.442 299 c HA -0.170 4.400 4.570 0.000 0.000 0.279 299 c C 2.883 176.633 174.090 -0.566 0.000 1.237 299 c CA 1.847 58.044 56.329 -0.221 0.000 1.722 299 c CB -1.334 41.157 42.510 -0.033 0.000 2.056 299 c HN 0.773 nan 8.230 nan 0.000 0.469 300 Q N 0.430 119.740 119.800 -0.816 0.000 2.133 300 Q HA -0.284 4.056 4.340 0.000 0.000 0.208 300 Q C 2.328 178.101 176.000 -0.378 0.000 0.991 300 Q CA 2.262 57.498 55.803 -0.943 0.000 0.867 300 Q CB -0.394 28.137 28.738 -0.345 0.000 0.911 300 Q HN 0.653 nan 8.270 nan 0.000 0.417 301 K N -0.040 120.235 120.400 -0.208 0.000 2.147 301 K HA -0.130 4.190 4.320 0.000 0.000 0.205 301 K C 2.000 178.535 176.600 -0.108 0.000 1.049 301 K CA 0.970 57.192 56.287 -0.109 0.000 0.936 301 K CB -0.052 32.405 32.500 -0.071 0.000 0.722 301 K HN 0.351 nan 8.250 nan 0.000 0.446 302 L N 0.392 121.530 121.223 -0.142 0.000 2.056 302 L HA -0.210 4.130 4.340 0.000 0.000 0.207 302 L C 2.792 179.613 176.870 -0.083 0.000 1.078 302 L CA 1.170 55.953 54.840 -0.096 0.000 0.749 302 L CB -1.058 40.952 42.059 -0.081 0.000 0.901 302 L HN 0.375 nan 8.230 nan 0.000 0.433 303 c N 0.089 118.607 118.600 -0.137 0.000 2.453 303 c HA -0.167 4.403 4.570 0.000 0.000 0.277 303 c C 2.929 177.022 174.090 0.005 0.000 1.262 303 c CA 1.541 57.851 56.329 -0.031 0.000 1.718 303 c CB -0.650 41.878 42.510 0.030 0.000 2.031 303 c HN 0.513 nan 8.230 nan 0.000 0.480 304 T N 0.841 115.383 114.554 -0.021 0.000 2.803 304 T HA -0.162 4.189 4.350 0.000 0.000 0.269 304 T C 1.358 176.054 174.700 -0.006 0.000 1.052 304 T CA 2.114 64.219 62.100 0.007 0.000 1.136 304 T CB -0.521 68.343 68.868 -0.007 0.000 0.864 304 T HN 0.614 nan 8.240 nan 0.000 0.467 305 N N 0.524 119.210 118.700 -0.023 0.000 2.412 305 N HA 0.259 4.999 4.740 0.000 0.000 0.184 305 N C 0.091 175.589 175.510 -0.020 0.000 1.101 305 N CA 0.031 53.066 53.050 -0.024 0.000 0.881 305 N CB 0.236 38.705 38.487 -0.031 0.000 0.969 305 N HN 0.319 nan 8.380 nan 0.000 0.459 306 A N 0.050 122.862 122.820 -0.013 0.000 2.253 306 A HA 0.357 4.677 4.320 0.000 0.000 0.316 306 A C 1.319 178.901 177.584 -0.004 0.000 1.327 306 A CA -0.585 51.446 52.037 -0.010 0.000 0.917 306 A CB 0.358 19.354 19.000 -0.007 0.000 1.162 306 A HN 0.011 nan 8.150 nan 0.000 0.535 307 V N 3.604 123.512 119.914 -0.011 0.000 2.250 307 V HA -0.319 3.801 4.120 0.000 0.000 0.253 307 V C 2.511 178.605 176.094 -0.000 0.000 1.065 307 V CA 2.222 64.518 62.300 -0.008 0.000 1.039 307 V CB -0.933 30.881 31.823 -0.016 0.000 0.647 307 V HN 0.884 nan 8.190 nan 0.000 0.446 308 R N -0.430 120.066 120.500 -0.007 0.000 2.189 308 R HA -0.016 4.324 4.340 0.000 0.000 0.223 308 R C 1.233 177.521 176.300 -0.020 0.000 1.092 308 R CA 0.718 56.813 56.100 -0.010 0.000 0.989 308 R CB -1.090 29.200 30.300 -0.016 0.000 0.876 308 R HN 0.570 nan 8.270 nan 0.000 0.457 309 c N 2.254 120.847 118.600 -0.011 0.000 2.638 309 c HA 0.035 4.605 4.570 0.000 0.000 0.410 309 c C 1.619 175.713 174.090 0.007 0.000 1.404 309 c CA -0.057 56.263 56.329 -0.015 0.000 1.651 309 c CB -0.185 42.346 42.510 0.035 0.000 2.495 309 c HN 0.471 nan 8.230 nan 0.000 0.606 310 Q N 3.713 123.455 119.800 -0.096 0.000 2.396 310 Q HA 0.270 4.610 4.340 0.000 0.000 0.220 310 Q C -0.313 175.810 176.000 0.204 0.000 0.900 310 Q CA 0.665 56.482 55.803 0.023 0.000 0.925 310 Q CB 0.444 29.155 28.738 -0.045 0.000 1.065 310 Q HN 0.863 nan 8.270 nan 0.000 0.535 311 F N -1.174 118.880 119.950 0.173 0.000 2.770 311 F HA 0.612 5.139 4.527 0.000 0.000 0.313 311 F C -1.408 174.504 175.800 0.187 0.000 1.154 311 F CA -2.204 55.856 58.000 0.102 0.000 0.923 311 F CB 0.687 39.597 39.000 -0.150 0.000 1.301 311 F HN -0.089 nan 8.300 nan 0.000 0.449 312 F N -1.669 118.505 119.950 0.374 0.000 2.685 312 F HA 0.931 5.458 4.527 0.000 0.000 0.315 312 F C -1.402 174.524 175.800 0.210 0.000 1.126 312 F CA -1.276 56.888 58.000 0.274 0.000 0.950 312 F CB 1.913 41.027 39.000 0.190 0.000 1.360 312 F HN 0.581 nan 8.300 nan 0.000 0.469 313 T N 1.267 115.961 114.554 0.233 0.000 2.937 313 T HA 0.296 4.646 4.350 0.000 0.000 0.297 313 T C -2.028 172.887 174.700 0.358 0.000 0.991 313 T CA -0.400 61.736 62.100 0.061 0.000 0.990 313 T CB 0.851 69.674 68.868 -0.075 0.000 0.991 313 T HN 0.714 nan 8.240 nan 0.000 0.440 314 Y N 2.320 122.802 120.300 0.303 0.000 2.320 314 Y HA 0.562 5.112 4.550 0.000 0.000 0.334 314 Y C 0.057 176.050 175.900 0.156 0.000 1.055 314 Y CA -0.326 57.959 58.100 0.308 0.000 1.143 314 Y CB 1.365 40.044 38.460 0.365 0.000 1.193 314 Y HN 0.532 nan 8.280 nan 0.000 0.477 315 T N 9.679 123.884 114.554 -0.582 0.000 2.788 315 T HA 0.341 4.691 4.350 0.000 0.000 0.296 315 T C -2.716 171.559 174.700 -0.709 0.000 1.009 315 T CA -1.803 60.029 62.100 -0.446 0.000 0.949 315 T CB 0.585 69.351 68.868 -0.169 0.000 0.946 315 T HN 0.499 nan 8.240 nan 0.000 0.453 316 P HA 0.264 nan 4.420 nan 0.000 0.272 316 P C -0.741 176.506 177.300 -0.087 0.000 1.230 316 P CA -0.516 62.495 63.100 -0.149 0.000 0.788 316 P CB 0.610 32.341 31.700 0.053 0.000 0.949 317 A N 2.695 125.509 122.820 -0.009 0.000 2.488 317 A HA 0.047 4.367 4.320 0.000 0.000 0.249 317 A C 0.752 178.336 177.584 0.002 0.000 1.083 317 A CA -0.216 51.820 52.037 -0.001 0.000 0.768 317 A CB -0.492 18.523 19.000 0.025 0.000 1.017 317 A HN 0.482 nan 8.150 nan 0.000 0.496 318 Q N 1.054 120.851 119.800 -0.004 0.000 2.520 318 Q HA 0.213 4.553 4.340 0.000 0.000 0.320 318 Q C 0.904 176.907 176.000 0.005 0.000 1.104 318 Q CA 1.497 57.300 55.803 -0.001 0.000 1.062 318 Q CB -0.486 28.252 28.738 -0.000 0.000 1.005 318 Q HN 1.726 nan 8.270 nan 0.000 0.390 319 A N 2.661 125.484 122.820 0.006 0.000 6.131 319 A HA -0.218 4.102 4.320 0.000 0.000 0.421 319 A C 1.151 178.741 177.584 0.010 0.000 1.585 319 A CA 0.556 52.597 52.037 0.007 0.000 0.641 319 A CB -1.432 17.571 19.000 0.005 0.000 2.282 319 A HN 0.782 nan 8.150 nan 0.000 0.449 320 S N -0.834 114.871 115.700 0.009 0.000 2.469 320 S HA -0.145 4.325 4.470 0.000 0.000 0.238 320 S C 2.034 176.640 174.600 0.011 0.000 0.998 320 S CA 2.548 60.755 58.200 0.010 0.000 0.957 320 S CB -1.488 61.716 63.200 0.006 0.000 0.764 320 S HN 2.133 nan 8.310 nan 0.000 0.514 321 C N 0.824 120.129 119.300 0.009 0.000 2.413 321 C HA 0.037 4.497 4.460 0.000 0.000 0.277 321 C C 1.375 176.372 174.990 0.011 0.000 1.228 321 C CA 0.022 59.045 59.018 0.008 0.000 1.731 321 C CB -2.069 25.675 27.740 0.007 0.000 2.042 321 C HN 0.656 nan 8.230 nan 0.000 0.468 322 N N 1.734 120.441 118.700 0.013 0.000 2.488 322 N HA 0.289 5.029 4.740 0.000 0.000 0.274 322 N C 0.131 175.654 175.510 0.022 0.000 1.111 322 N CA -0.406 52.653 53.050 0.016 0.000 0.974 322 N CB 0.814 39.310 38.487 0.014 0.000 1.089 322 N HN 0.597 nan 8.380 nan 0.000 0.465 323 E N 1.784 121.998 120.200 0.023 0.000 3.140 323 E HA -0.049 4.301 4.350 0.000 0.000 0.352 323 E C 1.351 177.978 176.600 0.044 0.000 1.493 323 E CA 0.182 56.599 56.400 0.029 0.000 1.812 323 E CB -0.585 29.131 29.700 0.026 0.000 0.945 323 E HN 0.567 nan 8.360 nan 0.000 0.600 324 G N -0.275 108.556 108.800 0.052 0.000 2.637 324 G HA2 -0.278 3.682 3.960 0.000 0.000 0.215 324 G HA3 -0.278 3.682 3.960 0.000 0.000 0.215 324 G C -0.265 174.696 174.900 0.102 0.000 1.289 324 G CA 0.524 45.673 45.100 0.082 0.000 0.816 324 G HN 0.455 nan 8.290 nan 0.000 0.580 325 K N 1.615 122.066 120.400 0.084 0.000 4.637 325 K HA -0.133 4.187 4.320 0.000 0.000 0.266 325 K C 0.826 177.474 176.600 0.081 0.000 0.693 325 K CA -0.065 56.268 56.287 0.077 0.000 0.637 325 K CB -1.176 31.351 32.500 0.045 0.000 2.120 325 K HN 0.399 nan 8.250 nan 0.000 0.385 326 G N 1.153 110.040 108.800 0.145 0.000 2.568 326 G HA2 0.437 4.397 3.960 0.000 0.000 0.293 326 G HA3 0.437 4.397 3.960 0.000 0.000 0.293 326 G C -0.779 174.110 174.900 -0.018 0.000 1.347 326 G CA -0.594 44.519 45.100 0.023 0.000 1.039 326 G HN 0.133 nan 8.290 nan 0.000 0.523 327 K N -0.996 119.280 120.400 -0.207 0.000 2.358 327 K HA 0.455 4.775 4.320 0.000 0.000 0.260 327 K C -1.223 175.432 176.600 0.092 0.000 0.956 327 K CA -0.384 55.892 56.287 -0.018 0.000 0.834 327 K CB 1.450 34.022 32.500 0.121 0.000 1.102 327 K HN 0.439 nan 8.250 nan 0.000 0.431 328 c N 5.758 124.474 118.600 0.194 0.000 2.251 328 c HA 0.526 5.096 4.570 0.000 0.000 0.323 328 c C -1.079 173.159 174.090 0.247 0.000 1.241 328 c CA -0.666 55.872 56.329 0.349 0.000 1.601 328 c CB -0.991 41.695 42.510 0.293 0.000 2.251 328 c HN 0.708 nan 8.230 nan 0.000 0.488 329 Y N 6.161 126.578 120.300 0.196 0.000 2.353 329 Y HA 0.509 5.059 4.550 0.000 0.000 0.340 329 Y C 0.426 176.450 175.900 0.207 0.000 0.972 329 Y CA -0.573 57.621 58.100 0.157 0.000 1.157 329 Y CB 0.702 39.239 38.460 0.128 0.000 1.157 329 Y HN 0.483 nan 8.280 nan 0.000 0.495 330 L N 5.558 126.923 121.223 0.236 0.000 2.265 330 L HA 0.453 4.793 4.340 0.000 0.000 0.288 330 L C -0.187 176.739 176.870 0.094 0.000 1.058 330 L CA -0.370 54.575 54.840 0.174 0.000 0.809 330 L CB 0.617 42.724 42.059 0.081 0.000 1.179 330 L HN 0.577 nan 8.230 nan 0.000 0.429 331 K N 4.475 124.870 120.400 -0.009 0.000 2.395 331 K HA 0.881 5.201 4.320 0.000 0.000 0.245 331 K C -1.393 174.828 176.600 -0.633 0.000 1.017 331 K CA -0.989 55.171 56.287 -0.212 0.000 0.852 331 K CB 2.771 35.238 32.500 -0.056 0.000 1.311 331 K HN 0.358 nan 8.250 nan 0.000 0.452 332 L N -2.059 118.832 121.223 -0.553 0.000 2.588 332 L HA 0.510 4.850 4.340 0.000 0.000 0.263 332 L C -0.449 176.308 176.870 -0.189 0.000 0.935 332 L CA -0.509 54.029 54.840 -0.504 0.000 0.891 332 L CB 1.686 43.616 42.059 -0.214 0.000 1.318 332 L HN 0.729 nan 8.230 nan 0.000 0.409 333 S N 1.056 116.747 115.700 -0.015 0.000 2.713 333 S HA 0.729 5.199 4.470 0.000 0.000 0.296 333 S C 0.488 175.152 174.600 0.108 0.000 1.114 333 S CA -0.015 58.281 58.200 0.159 0.000 0.997 333 S CB 1.144 64.538 63.200 0.323 0.000 1.249 333 S HN 1.195 nan 8.310 nan 0.000 0.534 334 S N 0.499 116.263 115.700 0.106 0.000 2.596 334 S HA 0.384 4.854 4.470 0.000 0.000 0.248 334 S C 0.209 174.849 174.600 0.066 0.000 1.162 334 S CA -0.098 58.156 58.200 0.090 0.000 1.185 334 S CB -1.793 61.458 63.200 0.086 0.000 0.833 334 S HN 0.975 nan 8.310 nan 0.000 0.472 335 N N -0.488 118.268 118.700 0.094 0.000 2.594 335 N HA 0.030 4.770 4.740 0.000 0.000 0.347 335 N C 0.084 175.711 175.510 0.195 0.000 0.823 335 N CA -0.387 52.716 53.050 0.089 0.000 1.953 335 N CB -0.471 38.046 38.487 0.051 0.000 1.505 335 N HN 0.356 nan 8.380 nan 0.000 1.765 336 G N 1.260 110.172 108.800 0.188 0.000 2.919 336 G HA2 0.531 4.491 3.960 0.000 0.000 0.303 336 G HA3 0.531 4.491 3.960 0.000 0.000 0.303 336 G C -0.562 174.254 174.900 -0.140 0.000 1.611 336 G CA 0.317 45.551 45.100 0.222 0.000 0.876 336 G HN 1.443 nan 8.290 nan 0.000 0.481 337 S N 1.153 116.741 115.700 -0.187 0.000 3.209 337 S HA -0.142 4.328 4.470 0.000 0.000 0.787 337 S C -1.333 173.089 174.600 -0.296 0.000 0.904 337 S CA 0.310 58.132 58.200 -0.630 0.000 1.341 337 S CB -0.892 61.311 63.200 -1.662 0.000 1.100 337 S HN 0.374 nan 8.310 nan 0.000 0.534 338 P HA -0.034 nan 4.420 nan 0.000 0.211 338 P C 0.986 178.237 177.300 -0.082 0.000 1.181 338 P CA 2.104 65.176 63.100 -0.047 0.000 0.929 338 P CB 0.109 31.820 31.700 0.017 0.000 0.789 339 T N -1.994 112.510 114.554 -0.083 0.000 2.900 339 T HA 0.430 4.780 4.350 0.000 0.000 0.295 339 T C -1.039 173.612 174.700 -0.083 0.000 1.044 339 T CA -0.772 61.284 62.100 -0.074 0.000 0.995 339 T CB 0.827 69.676 68.868 -0.032 0.000 1.072 339 T HN -0.316 nan 8.240 nan 0.000 0.473 340 K N 4.636 124.993 120.400 -0.073 0.000 2.319 340 K HA 0.406 4.726 4.320 0.000 0.000 0.237 340 K C 0.457 177.050 176.600 -0.011 0.000 1.113 340 K CA -0.501 55.770 56.287 -0.026 0.000 1.072 340 K CB -0.352 32.124 32.500 -0.041 0.000 1.734 340 K HN 0.618 nan 8.250 nan 0.000 0.429 341 I N 1.835 122.402 120.570 -0.005 0.000 2.576 341 I HA 0.036 4.206 4.170 0.000 0.000 0.288 341 I C 0.071 176.175 176.117 -0.021 0.000 1.126 341 I CA -0.227 61.067 61.300 -0.011 0.000 1.362 341 I CB -0.007 37.989 38.000 -0.007 0.000 1.419 341 I HN 0.274 nan 8.210 nan 0.000 0.533 342 L N 6.225 127.417 121.223 -0.051 0.000 2.636 342 L HA 0.205 4.545 4.340 0.000 0.000 0.163 342 L C 1.359 178.203 176.870 -0.043 0.000 1.052 342 L CA -0.473 54.297 54.840 -0.117 0.000 1.170 342 L CB -0.154 41.726 42.059 -0.298 0.000 1.864 342 L HN 0.661 nan 8.230 nan 0.000 0.472 343 H N 0.028 119.117 119.070 0.031 0.000 3.169 343 H HA 0.182 4.738 4.556 0.000 0.000 0.331 343 H C 0.268 175.603 175.328 0.013 0.000 1.054 343 H CA -0.073 55.991 56.048 0.027 0.000 1.321 343 H CB -0.611 29.171 29.762 0.033 0.000 1.223 343 H HN 0.688 nan 8.280 nan 0.000 0.601 344 G N 1.014 109.908 108.800 0.157 0.000 2.662 344 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 344 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 344 G C 0.003 174.930 174.900 0.044 0.000 1.271 344 G CA 0.048 45.194 45.100 0.077 0.000 0.816 344 G HN 0.865 nan 8.290 nan 0.000 0.608 345 R N -1.252 119.257 120.500 0.015 0.000 3.943 345 R HA -0.156 4.184 4.340 0.000 0.000 0.459 345 R C 2.226 178.514 176.300 -0.019 0.000 0.939 345 R CA 2.763 58.855 56.100 -0.013 0.000 1.515 345 R CB -1.813 28.471 30.300 -0.026 0.000 2.164 345 R HN 2.738 nan 8.270 nan 0.000 0.516 346 G N 0.211 109.017 108.800 0.010 0.000 2.424 346 G HA2 -0.136 3.824 3.960 0.000 0.000 0.290 346 G HA3 -0.136 3.824 3.960 0.000 0.000 0.290 346 G C 0.513 175.411 174.900 -0.004 0.000 0.912 346 G CA 0.861 45.972 45.100 0.019 0.000 1.142 346 G HN 0.756 nan 8.290 nan 0.000 0.501 347 G N -1.129 107.654 108.800 -0.028 0.000 2.552 347 G HA2 0.678 4.638 3.960 0.000 0.000 0.324 347 G HA3 0.678 4.638 3.960 0.000 0.000 0.324 347 G C -0.637 174.240 174.900 -0.038 0.000 1.217 347 G CA -0.821 44.247 45.100 -0.054 0.000 0.989 347 G HN 0.684 nan 8.290 nan 0.000 0.490 348 I N 0.552 121.111 120.570 -0.018 0.000 2.478 348 I HA 0.548 4.718 4.170 0.000 0.000 0.287 348 I C -0.725 175.341 176.117 -0.085 0.000 1.042 348 I CA -0.522 60.743 61.300 -0.058 0.000 1.067 348 I CB 1.239 39.192 38.000 -0.078 0.000 1.233 348 I HN 0.337 nan 8.210 nan 0.000 0.431 349 S N 4.726 120.194 115.700 -0.386 0.000 2.568 349 S HA 1.007 5.477 4.470 0.000 0.000 0.302 349 S C 0.012 174.109 174.600 -0.838 0.000 1.082 349 S CA -0.552 57.122 58.200 -0.876 0.000 1.009 349 S CB 2.129 64.354 63.200 -1.624 0.000 1.069 349 S HN 0.945 nan 8.310 nan 0.000 0.500 350 G N 0.092 108.153 108.800 -1.232 0.000 2.682 350 G HA2 0.634 4.594 3.960 0.000 0.000 0.303 350 G HA3 0.634 4.594 3.960 0.000 0.000 0.303 350 G C -2.054 172.585 174.900 -0.434 0.000 1.341 350 G CA -0.597 44.160 45.100 -0.573 0.000 0.784 350 G HN 0.518 nan 8.290 nan 0.000 0.497 351 Y N -1.250 119.174 120.300 0.208 0.000 2.565 351 Y HA 0.508 5.058 4.550 0.000 0.000 0.325 351 Y C 2.053 178.196 175.900 0.405 0.000 1.221 351 Y CA 0.153 58.469 58.100 0.359 0.000 1.316 351 Y CB 1.872 40.535 38.460 0.338 0.000 1.404 351 Y HN 0.493 nan 8.280 nan 0.000 0.527 352 T N 0.490 115.338 114.554 0.489 0.000 3.163 352 T HA -0.078 4.272 4.350 0.000 0.000 0.260 352 T C 1.447 176.258 174.700 0.184 0.000 1.156 352 T CA 0.974 63.251 62.100 0.295 0.000 1.072 352 T CB -0.515 68.481 68.868 0.213 0.000 0.937 352 T HN 0.594 nan 8.240 nan 0.000 0.528 353 L N 0.983 122.319 121.223 0.188 0.000 5.465 353 L HA -0.282 4.058 4.340 0.000 0.000 0.446 353 L C 1.834 178.734 176.870 0.050 0.000 0.961 353 L CA 2.299 57.197 54.840 0.097 0.000 1.155 353 L CB -1.382 40.721 42.059 0.073 0.000 1.456 353 L HN 0.390 nan 8.230 nan 0.000 0.681 354 R N 0.444 120.974 120.500 0.049 0.000 2.355 354 R HA -0.110 4.230 4.340 0.000 0.000 0.219 354 R C 1.850 178.144 176.300 -0.009 0.000 1.107 354 R CA 1.676 57.783 56.100 0.011 0.000 1.021 354 R CB -0.393 29.915 30.300 0.013 0.000 0.852 354 R HN 0.619 nan 8.270 nan 0.000 0.475 355 L N -0.497 120.736 121.223 0.017 0.000 2.162 355 L HA -0.091 4.249 4.340 0.000 0.000 0.205 355 L C 2.597 179.456 176.870 -0.018 0.000 1.086 355 L CA 0.705 55.549 54.840 0.006 0.000 0.778 355 L CB -0.404 41.691 42.059 0.060 0.000 0.928 355 L HN 0.159 nan 8.230 nan 0.000 0.446 356 c N -0.008 118.584 118.600 -0.013 0.000 2.403 356 c HA -0.154 4.416 4.570 0.000 0.000 0.279 356 c C 2.630 176.694 174.090 -0.044 0.000 1.269 356 c CA 0.419 56.735 56.329 -0.021 0.000 1.774 356 c CB -0.869 41.634 42.510 -0.012 0.000 1.993 356 c HN 0.382 nan 8.230 nan 0.000 0.496 357 K N 0.153 120.518 120.400 -0.059 0.000 2.360 357 K HA -0.054 4.266 4.320 0.000 0.000 0.201 357 K C 1.387 177.917 176.600 -0.116 0.000 1.046 357 K CA 1.021 57.262 56.287 -0.075 0.000 0.945 357 K CB -0.199 32.252 32.500 -0.081 0.000 0.750 357 K HN 0.408 nan 8.250 nan 0.000 0.464 358 M N 0.908 120.406 119.600 -0.171 0.000 2.475 358 M HA 0.088 4.568 4.480 0.000 0.000 0.261 358 M C -0.798 175.372 176.300 -0.217 0.000 1.177 358 M CA -0.125 55.005 55.300 -0.283 0.000 0.979 358 M CB 0.293 32.545 32.600 -0.579 0.000 1.482 358 M HN -0.214 nan 8.290 nan 0.000 0.484 359 D N 0.334 120.669 120.400 -0.108 0.000 2.425 359 D HA 0.107 4.747 4.640 0.000 0.000 0.240 359 D C -0.809 175.430 176.300 -0.101 0.000 1.080 359 D CA -0.192 53.773 54.000 -0.059 0.000 0.836 359 D CB 0.972 41.774 40.800 0.003 0.000 1.125 359 D HN 0.087 nan 8.370 nan 0.000 0.525 360 N N 3.269 121.862 118.700 -0.177 0.000 2.236 360 N HA -0.138 4.602 4.740 0.000 0.000 0.274 360 N C -0.172 175.281 175.510 -0.094 0.000 1.339 360 N CA 0.525 53.479 53.050 -0.160 0.000 0.845 360 N CB 0.490 38.827 38.487 -0.249 0.000 1.091 360 N HN 0.463 nan 8.380 nan 0.000 0.489 361 E N 2.065 122.218 120.200 -0.079 0.000 2.366 361 E HA 0.292 4.642 4.350 0.000 0.000 0.266 361 E C 0.724 177.256 176.600 -0.114 0.000 1.051 361 E CA -0.421 55.921 56.400 -0.096 0.000 0.884 361 E CB 0.507 30.130 29.700 -0.128 0.000 1.006 361 E HN 0.816 nan 8.360 nan 0.000 0.417 362 c N -0.603 117.943 118.600 -0.091 0.000 6.132 362 c HA -0.119 4.451 4.570 0.000 0.000 0.205 362 c C 1.348 175.436 174.090 -0.003 0.000 1.070 362 c CA 0.274 56.568 56.329 -0.058 0.000 0.985 362 c CB -2.261 40.209 42.510 -0.067 0.000 2.249 362 c HN 0.884 nan 8.230 nan 0.000 0.693 363 T N -0.746 113.801 114.554 -0.012 0.000 3.000 363 T HA 0.294 4.644 4.350 0.000 0.000 0.248 363 T C 0.821 175.533 174.700 0.020 0.000 1.034 363 T CA 1.268 63.374 62.100 0.009 0.000 1.060 363 T CB -0.282 68.580 68.868 -0.010 0.000 0.983 363 T HN 1.778 nan 8.240 nan 0.000 0.482 364 T N 2.545 117.103 114.554 0.007 0.000 2.939 364 T HA 0.219 4.569 4.350 0.000 0.000 0.319 364 T C 0.359 175.087 174.700 0.047 0.000 1.082 364 T CA -0.532 61.578 62.100 0.017 0.000 1.133 364 T CB 0.347 69.217 68.868 0.003 0.000 1.019 364 T HN 0.610 nan 8.240 nan 0.000 0.548 365 K N 2.201 122.630 120.400 0.048 0.000 2.181 365 K HA 0.482 4.802 4.320 0.000 0.000 0.239 365 K C -0.528 176.118 176.600 0.078 0.000 1.073 365 K CA -0.339 55.985 56.287 0.063 0.000 0.839 365 K CB -0.169 32.360 32.500 0.049 0.000 1.116 365 K HN 0.574 nan 8.250 nan 0.000 0.518 366 I N -0.698 119.919 120.570 0.078 0.000 2.478 366 I HA 0.266 4.436 4.170 0.000 0.000 0.287 366 I C -0.742 175.389 176.117 0.023 0.000 1.042 366 I CA -1.033 60.304 61.300 0.061 0.000 1.067 366 I CB 1.747 39.811 38.000 0.107 0.000 1.233 366 I HN 0.679 nan 8.210 nan 0.000 0.431 367 K N 4.645 125.046 120.400 0.001 0.000 2.298 367 K HA 0.619 4.939 4.320 0.000 0.000 0.280 367 K C -2.586 173.996 176.600 -0.030 0.000 1.032 367 K CA -1.450 54.832 56.287 -0.008 0.000 0.958 367 K CB 0.078 32.575 32.500 -0.006 0.000 0.978 367 K HN 0.194 nan 8.250 nan 0.000 0.472 368 P HA -0.181 nan 4.420 nan 0.000 0.272 368 P C -0.247 177.023 177.300 -0.050 0.000 1.210 368 P CA 0.227 63.308 63.100 -0.032 0.000 0.789 368 P CB 0.300 31.992 31.700 -0.014 0.000 0.849 369 R N -0.439 120.027 120.500 -0.058 0.000 1.569 369 R HA -0.027 4.313 4.340 0.000 0.000 0.032 369 R C 1.049 177.310 176.300 -0.066 0.000 0.811 369 R CA -0.204 55.857 56.100 -0.066 0.000 3.393 369 R CB -1.056 29.186 30.300 -0.098 0.000 0.779 369 R HN 0.159 nan 8.270 nan 0.000 0.572 370 I N 2.777 123.296 120.570 -0.086 0.000 4.899 370 I HA -0.419 3.751 4.170 0.000 0.000 0.039 370 I C 2.009 178.111 176.117 -0.025 0.000 0.639 370 I CA 1.653 62.911 61.300 -0.070 0.000 0.468 370 I CB -1.919 36.071 38.000 -0.018 0.000 0.487 370 I HN 0.330 nan 8.210 nan 0.000 0.224 371 V N 0.273 120.200 119.914 0.021 0.000 1.992 371 V HA -0.213 3.907 4.120 0.000 0.000 0.260 371 V C 1.522 177.649 176.094 0.056 0.000 1.190 371 V CA 3.645 65.972 62.300 0.044 0.000 2.809 371 V CB -1.318 30.521 31.823 0.028 0.000 1.189 371 V HN 2.554 nan 8.190 nan 0.000 0.272 372 G N -0.489 108.343 108.800 0.053 0.000 2.507 372 G HA2 0.005 3.965 3.960 0.000 0.000 0.240 372 G HA3 0.005 3.965 3.960 0.000 0.000 0.240 372 G C 1.916 176.863 174.900 0.078 0.000 1.119 372 G CA 1.043 46.176 45.100 0.056 0.000 0.664 372 G HN 3.166 nan 8.290 nan 0.000 0.516 373 G N 0.251 109.119 108.800 0.114 0.000 2.342 373 G HA2 0.305 4.265 3.960 0.000 0.000 0.267 373 G HA3 0.305 4.265 3.960 0.000 0.000 0.267 373 G C 0.684 175.658 174.900 0.124 0.000 0.922 373 G CA 1.434 46.618 45.100 0.140 0.000 1.342 373 G HN 2.490 nan 8.290 nan 0.000 0.430 374 T N -1.586 113.063 114.554 0.159 0.000 0.541 374 T HA 0.338 4.688 4.350 0.000 0.000 0.774 374 T C 0.859 175.602 174.700 0.072 0.000 0.992 374 T CA 1.810 63.978 62.100 0.113 0.000 4.077 374 T CB -1.139 67.773 68.868 0.073 0.000 2.303 374 T HN 2.636 nan 8.240 nan 0.000 0.398 375 A N 1.459 124.307 122.820 0.046 0.000 4.399 375 A HA 0.303 4.623 4.320 0.000 0.000 0.203 375 A C 0.489 178.099 177.584 0.043 0.000 1.143 375 A CA 0.357 52.411 52.037 0.030 0.000 0.841 375 A CB -1.536 17.484 19.000 0.034 0.000 0.906 375 A HN 1.792 nan 8.150 nan 0.000 0.451 376 S N -0.128 115.598 115.700 0.043 0.000 2.593 376 S HA 0.275 4.745 4.470 0.000 0.000 0.300 376 S C 0.784 175.416 174.600 0.052 0.000 1.267 376 S CA 0.622 58.886 58.200 0.107 0.000 1.065 376 S CB 1.172 64.418 63.200 0.077 0.000 0.807 376 S HN 1.833 nan 8.310 nan 0.000 0.499 377 V N 4.874 124.799 119.914 0.018 0.000 2.686 377 V HA 0.337 4.457 4.120 0.000 0.000 0.295 377 V C 0.664 176.733 176.094 -0.042 0.000 1.057 377 V CA -0.932 61.352 62.300 -0.027 0.000 1.012 377 V CB 1.201 32.986 31.823 -0.063 0.000 1.006 377 V HN 0.801 nan 8.190 nan 0.000 0.477 378 R N 3.467 123.951 120.500 -0.026 0.000 2.583 378 R HA 0.113 4.453 4.340 0.000 0.000 0.274 378 R C 1.342 177.603 176.300 -0.064 0.000 0.998 378 R CA 1.308 57.395 56.100 -0.021 0.000 1.081 378 R CB -0.152 30.145 30.300 -0.006 0.000 0.940 378 R HN 1.470 nan 8.270 nan 0.000 0.413 379 G N 2.733 111.494 108.800 -0.066 0.000 2.189 379 G HA2 -0.396 3.564 3.960 0.000 0.000 0.267 379 G HA3 -0.396 3.564 3.960 0.000 0.000 0.267 379 G C 0.844 175.601 174.900 -0.240 0.000 0.975 379 G CA 0.900 45.936 45.100 -0.107 0.000 0.644 379 G HN 0.764 nan 8.290 nan 0.000 0.537 380 E N -0.891 119.104 120.200 -0.342 0.000 2.153 380 E HA -0.026 4.324 4.350 0.000 0.000 0.194 380 E C 0.500 176.382 176.600 -1.198 0.000 0.988 380 E CA 1.075 57.026 56.400 -0.749 0.000 0.811 380 E CB -0.053 29.141 29.700 -0.844 0.000 0.746 380 E HN 0.707 nan 8.360 nan 0.000 0.466 381 W N 0.434 121.354 121.300 -0.633 0.000 2.237 381 W HA 0.333 4.993 4.660 0.000 0.000 0.289 381 W C -2.087 173.857 176.519 -0.960 0.000 0.988 381 W CA -1.679 54.943 57.345 -1.205 0.000 1.671 381 W CB 1.115 29.857 29.460 -1.198 0.000 1.746 381 W HN -0.051 nan 8.180 nan 0.000 0.380 382 P HA -0.148 nan 4.420 nan 0.000 0.234 382 P C 0.695 178.007 177.300 0.021 0.000 1.167 382 P CA 1.264 64.291 63.100 -0.122 0.000 0.763 382 P CB 0.068 31.777 31.700 0.015 0.000 0.835 383 W N -0.591 120.763 121.300 0.091 0.000 3.278 383 W HA 0.443 5.103 4.660 0.000 0.000 0.308 383 W C 0.444 177.035 176.519 0.120 0.000 1.253 383 W CA -0.624 56.782 57.345 0.103 0.000 1.759 383 W CB -1.068 28.437 29.460 0.075 0.000 1.093 383 W HN -0.185 nan 8.180 nan 0.000 0.648 384 Q N 2.933 122.632 119.800 -0.168 0.000 2.293 384 Q HA 0.456 4.796 4.340 0.000 0.000 0.251 384 Q C -0.417 175.679 176.000 0.161 0.000 0.930 384 Q CA -0.478 55.312 55.803 -0.023 0.000 0.893 384 Q CB 1.507 30.119 28.738 -0.209 0.000 1.215 384 Q HN 0.291 nan 8.270 nan 0.000 0.425 385 V N -0.097 119.968 119.914 0.251 0.000 2.971 385 V HA 0.714 4.834 4.120 0.000 0.000 0.309 385 V C -0.606 175.681 176.094 0.321 0.000 1.130 385 V CA -0.741 61.724 62.300 0.275 0.000 0.964 385 V CB 1.811 33.773 31.823 0.232 0.000 1.029 385 V HN 0.745 nan 8.190 nan 0.000 0.427 386 T N 4.589 119.277 114.554 0.222 0.000 2.767 386 T HA 0.561 4.911 4.350 0.000 0.000 0.284 386 T C -0.701 174.056 174.700 0.095 0.000 0.973 386 T CA -0.443 61.740 62.100 0.138 0.000 0.996 386 T CB 0.719 69.385 68.868 -0.337 0.000 0.927 386 T HN 0.684 nan 8.240 nan 0.000 0.456 387 L N 6.310 127.593 121.223 0.099 0.000 2.281 387 L HA 0.435 4.775 4.340 0.000 0.000 0.285 387 L C 0.170 177.110 176.870 0.117 0.000 1.074 387 L CA 0.035 54.898 54.840 0.038 0.000 0.817 387 L CB 0.432 42.460 42.059 -0.052 0.000 1.168 387 L HN 0.811 nan 8.230 nan 0.000 0.434 388 H N 1.731 120.779 119.070 -0.037 0.000 2.524 388 H HA 0.330 4.886 4.556 0.000 0.000 0.353 388 H C -0.562 174.710 175.328 -0.094 0.000 1.136 388 H CA -0.604 55.410 56.048 -0.057 0.000 1.193 388 H CB 2.450 32.242 29.762 0.049 0.000 1.558 388 H HN 0.454 nan 8.280 nan 0.000 0.515 389 T N 0.652 115.181 114.554 -0.041 0.000 2.829 389 T HA 0.061 4.411 4.350 0.000 0.000 0.280 389 T C 1.310 175.962 174.700 -0.079 0.000 0.999 389 T CA -0.452 61.608 62.100 -0.067 0.000 0.983 389 T CB 1.004 69.817 68.868 -0.091 0.000 0.968 389 T HN 0.818 nan 8.240 nan 0.000 0.446 390 T N 1.236 115.753 114.554 -0.061 0.000 3.055 390 T HA 0.148 4.498 4.350 0.000 0.000 0.265 390 T C 0.975 175.644 174.700 -0.052 0.000 1.111 390 T CA 0.227 62.293 62.100 -0.055 0.000 1.118 390 T CB 0.064 68.907 68.868 -0.041 0.000 0.909 390 T HN 0.403 nan 8.240 nan 0.000 0.501 391 S N 2.319 117.988 115.700 -0.052 0.000 2.480 391 S HA 0.457 4.927 4.470 0.000 0.000 0.286 391 S C -1.420 173.148 174.600 -0.053 0.000 1.180 391 S CA -1.694 56.479 58.200 -0.045 0.000 1.075 391 S CB 1.630 64.808 63.200 -0.037 0.000 0.996 391 S HN 0.175 nan 8.310 nan 0.000 0.487 392 P HA 0.087 nan 4.420 nan 0.000 0.222 392 P C 0.443 177.719 177.300 -0.040 0.000 1.157 392 P CA 0.583 63.661 63.100 -0.037 0.000 0.816 392 P CB -0.067 31.615 31.700 -0.030 0.000 0.813 393 T N -3.668 110.854 114.554 -0.053 0.000 2.930 393 T HA 0.302 4.652 4.350 0.000 0.000 0.290 393 T C -0.354 174.294 174.700 -0.086 0.000 1.052 393 T CA -0.870 61.196 62.100 -0.058 0.000 1.017 393 T CB 1.784 70.618 68.868 -0.056 0.000 1.137 393 T HN -0.115 nan 8.240 nan 0.000 0.511 394 Q N 1.519 121.265 119.800 -0.089 0.000 2.286 394 Q HA 0.309 4.649 4.340 0.000 0.000 0.267 394 Q C -0.185 175.665 176.000 -0.251 0.000 1.028 394 Q CA -0.184 55.540 55.803 -0.132 0.000 0.901 394 Q CB 0.300 28.998 28.738 -0.067 0.000 1.183 394 Q HN 0.761 nan 8.270 nan 0.000 0.392 395 R N 1.586 121.854 120.500 -0.387 0.000 2.734 395 R HA 0.277 4.617 4.340 0.000 0.000 0.271 395 R C -1.247 174.625 176.300 -0.713 0.000 1.021 395 R CA -1.031 54.762 56.100 -0.511 0.000 0.893 395 R CB 0.545 30.699 30.300 -0.243 0.000 1.244 395 R HN 0.559 nan 8.270 nan 0.000 0.464 396 H N 0.844 119.505 119.070 -0.682 0.000 3.004 396 H HA 0.087 4.643 4.556 0.000 0.000 0.316 396 H C 0.194 175.449 175.328 -0.122 0.000 1.014 396 H CA 0.198 56.093 56.048 -0.256 0.000 1.454 396 H CB 1.068 30.753 29.762 -0.127 0.000 1.472 396 H HN 0.564 nan 8.280 nan 0.000 0.571 397 L N 3.948 124.883 121.223 -0.479 0.000 2.577 397 L HA 0.363 4.703 4.340 0.000 0.000 0.225 397 L C -0.425 176.162 176.870 -0.472 0.000 1.053 397 L CA 0.643 55.259 54.840 -0.374 0.000 0.866 397 L CB 0.337 42.236 42.059 -0.266 0.000 1.132 397 L HN 0.677 nan 8.230 nan 0.000 0.486 398 c N -1.894 116.303 118.600 -0.673 0.000 3.259 398 c HA 0.724 5.294 4.570 0.000 0.000 0.344 398 c C 0.165 174.186 174.090 -0.116 0.000 1.401 398 c CA -0.670 55.439 56.329 -0.366 0.000 1.219 398 c CB 1.044 43.390 42.510 -0.272 0.000 1.521 398 c HN 0.471 nan 8.230 nan 0.000 0.455 399 G N -0.328 108.542 108.800 0.116 0.000 2.454 399 G HA2 0.810 4.770 3.960 0.000 0.000 0.329 399 G HA3 0.810 4.770 3.960 0.000 0.000 0.329 399 G C -0.520 174.486 174.900 0.177 0.000 1.177 399 G CA 0.208 45.469 45.100 0.268 0.000 0.951 399 G HN 1.385 nan 8.290 nan 0.000 0.485 400 G N -1.117 107.811 108.800 0.213 0.000 2.682 400 G HA2 0.576 4.536 3.960 0.000 0.000 0.290 400 G HA3 0.576 4.536 3.960 0.000 0.000 0.290 400 G C -1.228 173.817 174.900 0.243 0.000 1.425 400 G CA -0.392 44.828 45.100 0.198 0.000 0.807 400 G HN 0.804 nan 8.290 nan 0.000 0.482 401 S N -0.422 115.428 115.700 0.249 0.000 2.502 401 S HA 0.501 4.971 4.470 0.000 0.000 0.304 401 S C -0.205 174.558 174.600 0.272 0.000 1.097 401 S CA -0.410 57.983 58.200 0.322 0.000 1.045 401 S CB 1.430 64.806 63.200 0.293 0.000 1.019 401 S HN 0.495 nan 8.310 nan 0.000 0.481 402 I N 3.964 124.721 120.570 0.312 0.000 2.436 402 I HA 0.176 4.346 4.170 0.000 0.000 0.289 402 I C 0.937 177.199 176.117 0.243 0.000 1.083 402 I CA 0.119 61.577 61.300 0.264 0.000 1.372 402 I CB 0.388 38.563 38.000 0.292 0.000 1.408 402 I HN 0.719 nan 8.210 nan 0.000 0.516 403 I N 2.594 123.294 120.570 0.217 0.000 4.154 403 I HA 0.558 4.728 4.170 0.000 0.000 0.334 403 I C 0.628 176.857 176.117 0.186 0.000 1.371 403 I CA -0.199 61.195 61.300 0.157 0.000 1.110 403 I CB 0.492 38.558 38.000 0.111 0.000 1.085 403 I HN 0.517 nan 8.210 nan 0.000 0.398 404 G N 0.414 109.380 108.800 0.276 0.000 2.608 404 G HA2 0.199 4.159 3.960 0.000 0.000 0.291 404 G HA3 0.199 4.159 3.960 0.000 0.000 0.291 404 G C -0.427 174.646 174.900 0.287 0.000 1.425 404 G CA -0.461 44.830 45.100 0.319 0.000 0.787 404 G HN -0.113 nan 8.290 nan 0.000 0.484 405 N N -0.603 118.227 118.700 0.216 0.000 2.223 405 N HA -0.086 4.654 4.740 0.000 0.000 0.185 405 N C 1.428 176.852 175.510 -0.143 0.000 1.016 405 N CA 1.126 54.153 53.050 -0.039 0.000 0.863 405 N CB 0.311 38.764 38.487 -0.056 0.000 0.983 405 N HN 0.566 nan 8.380 nan 0.000 0.429 406 Q N -1.383 118.371 119.800 -0.075 0.000 2.155 406 Q HA 0.125 4.465 4.340 0.000 0.000 0.220 406 Q C -1.032 174.533 176.000 -0.724 0.000 0.819 406 Q CA -0.257 55.313 55.803 -0.388 0.000 1.032 406 Q CB 0.627 29.110 28.738 -0.425 0.000 1.151 406 Q HN 0.198 nan 8.270 nan 0.000 0.487 407 W N 0.555 121.822 121.300 -0.056 0.000 2.883 407 W HA 0.512 5.172 4.660 0.000 0.000 0.335 407 W C -0.665 175.860 176.519 0.010 0.000 1.083 407 W CA -0.586 56.745 57.345 -0.023 0.000 1.233 407 W CB 1.284 30.736 29.460 -0.014 0.000 1.412 407 W HN -0.161 nan 8.180 nan 0.000 0.490 408 I N 4.275 124.992 120.570 0.244 0.000 2.418 408 I HA 0.258 4.428 4.170 0.000 0.000 0.287 408 I C -0.817 175.443 176.117 0.239 0.000 1.008 408 I CA -1.144 60.279 61.300 0.204 0.000 1.104 408 I CB 1.290 39.376 38.000 0.143 0.000 1.264 408 I HN 0.240 nan 8.210 nan 0.000 0.438 409 L N 6.458 127.811 121.223 0.216 0.000 2.276 409 L HA 0.616 4.956 4.340 0.000 0.000 0.286 409 L C 0.164 177.134 176.870 0.167 0.000 1.061 409 L CA 0.890 55.844 54.840 0.190 0.000 0.807 409 L CB 1.221 43.371 42.059 0.152 0.000 1.177 409 L HN 0.778 nan 8.230 nan 0.000 0.429 410 T N 3.075 117.724 114.554 0.158 0.000 2.618 410 T HA 0.826 5.176 4.350 0.000 0.000 0.286 410 T C -1.355 173.387 174.700 0.070 0.000 1.027 410 T CA -0.083 62.096 62.100 0.133 0.000 1.063 410 T CB 1.283 70.272 68.868 0.203 0.000 1.440 410 T HN 0.751 nan 8.240 nan 0.000 0.505 411 A N 0.527 123.354 122.820 0.013 0.000 2.290 411 A HA 0.732 5.052 4.320 0.000 0.000 0.310 411 A C 1.356 178.891 177.584 -0.082 0.000 1.202 411 A CA 0.199 52.172 52.037 -0.108 0.000 0.837 411 A CB 0.511 19.369 19.000 -0.238 0.000 1.139 411 A HN 1.094 nan 8.150 nan 0.000 0.509 412 A N 1.652 124.349 122.820 -0.205 0.000 1.908 412 A HA -0.207 4.113 4.320 0.000 0.000 0.218 412 A C 1.818 179.335 177.584 -0.112 0.000 1.181 412 A CA 1.935 53.798 52.037 -0.288 0.000 0.627 412 A CB -1.137 17.262 19.000 -1.001 0.000 0.818 412 A HN 1.136 nan 8.150 nan 0.000 0.445 413 H N -1.654 117.343 119.070 -0.121 0.000 2.543 413 H HA -0.099 4.457 4.556 0.000 0.000 0.286 413 H C 1.702 177.077 175.328 0.078 0.000 1.037 413 H CA 1.301 57.418 56.048 0.116 0.000 1.250 413 H CB -0.813 29.034 29.762 0.143 0.000 1.373 413 H HN 0.427 nan 8.280 nan 0.000 0.580 414 c N 0.655 119.009 118.600 -0.410 0.000 2.437 414 c HA -0.038 4.532 4.570 0.000 0.000 0.283 414 c C 1.182 174.831 174.090 -0.735 0.000 1.424 414 c CA 0.338 56.285 56.329 -0.636 0.000 1.782 414 c CB -1.498 40.435 42.510 -0.961 0.000 1.833 414 c HN 0.481 nan 8.230 nan 0.000 0.532 415 F N -1.724 118.246 119.950 0.034 0.000 2.708 415 F HA 0.283 4.810 4.527 0.000 0.000 0.300 415 F C 0.520 176.394 175.800 0.124 0.000 1.118 415 F CA -1.031 57.005 58.000 0.060 0.000 1.307 415 F CB -0.923 38.097 39.000 0.033 0.000 0.986 415 F HN 0.103 nan 8.300 nan 0.000 0.522 416 Y N 1.743 122.134 120.300 0.151 0.000 2.650 416 Y HA 0.391 4.941 4.550 0.000 0.000 0.331 416 Y C 1.217 177.171 175.900 0.090 0.000 1.165 416 Y CA 0.821 59.006 58.100 0.141 0.000 1.473 416 Y CB 0.299 38.834 38.460 0.125 0.000 1.224 416 Y HN 0.439 nan 8.280 nan 0.000 0.533 417 G N 3.196 111.735 108.800 -0.435 0.000 2.729 417 G HA2 -0.293 3.667 3.960 0.000 0.000 0.216 417 G HA3 -0.293 3.667 3.960 0.000 0.000 0.216 417 G C 0.039 174.870 174.900 -0.116 0.000 1.252 417 G CA -0.239 44.651 45.100 -0.351 0.000 0.751 417 G HN 0.814 nan 8.290 nan 0.000 0.527 418 V N 2.903 122.807 119.914 -0.016 0.000 2.798 418 V HA -0.029 4.091 4.120 0.000 0.000 0.295 418 V C 1.637 177.751 176.094 0.032 0.000 1.066 418 V CA 2.054 64.380 62.300 0.043 0.000 1.244 418 V CB 0.461 32.383 31.823 0.165 0.000 0.829 418 V HN 0.696 nan 8.190 nan 0.000 0.464 419 E N 2.768 122.972 120.200 0.007 0.000 2.190 419 E HA 0.053 4.403 4.350 0.000 0.000 0.191 419 E C 0.881 177.489 176.600 0.014 0.000 0.978 419 E CA 0.743 57.144 56.400 0.001 0.000 0.839 419 E CB 0.422 30.114 29.700 -0.013 0.000 0.787 419 E HN 0.621 nan 8.360 nan 0.000 0.473 420 S N 0.099 115.812 115.700 0.021 0.000 2.546 420 S HA 0.224 4.694 4.470 0.000 0.000 0.274 420 S C -2.315 172.305 174.600 0.033 0.000 1.121 420 S CA -1.672 56.540 58.200 0.020 0.000 0.887 420 S CB 1.793 65.000 63.200 0.010 0.000 1.094 420 S HN -0.224 nan 8.310 nan 0.000 0.474 421 P HA 0.039 nan 4.420 nan 0.000 0.230 421 P C 0.489 177.803 177.300 0.023 0.000 1.158 421 P CA 0.437 63.556 63.100 0.032 0.000 0.769 421 P CB 0.102 31.803 31.700 0.001 0.000 0.807 422 K N 0.565 120.975 120.400 0.016 0.000 2.555 422 K HA 0.042 4.362 4.320 0.000 0.000 0.193 422 K C 1.730 178.332 176.600 0.003 0.000 1.032 422 K CA 0.466 56.761 56.287 0.013 0.000 1.004 422 K CB -0.571 31.936 32.500 0.013 0.000 0.804 422 K HN 0.464 nan 8.250 nan 0.000 0.496 423 I N -2.840 117.730 120.570 0.001 0.000 4.018 423 I HA 0.186 4.356 4.170 0.000 0.000 0.337 423 I C 0.088 176.181 176.117 -0.039 0.000 1.327 423 I CA -0.317 60.972 61.300 -0.018 0.000 1.100 423 I CB 0.109 38.102 38.000 -0.011 0.000 1.025 423 I HN -0.202 nan 8.210 nan 0.000 0.396 424 L N 3.050 124.255 121.223 -0.030 0.000 2.307 424 L HA 0.571 4.911 4.340 0.000 0.000 0.282 424 L C -0.120 176.647 176.870 -0.171 0.000 1.051 424 L CA -0.459 54.354 54.840 -0.046 0.000 0.804 424 L CB 1.109 43.193 42.059 0.041 0.000 1.197 424 L HN 0.202 nan 8.230 nan 0.000 0.431 425 R N 3.234 123.580 120.500 -0.257 0.000 2.483 425 R HA 0.419 4.760 4.340 0.000 0.000 0.303 425 R C -1.324 174.757 176.300 -0.365 0.000 0.987 425 R CA -0.696 55.008 56.100 -0.660 0.000 0.881 425 R CB 2.093 31.800 30.300 -0.988 0.000 1.177 425 R HN 0.280 nan 8.270 nan 0.000 0.451 426 V N 4.938 124.708 119.914 -0.240 0.000 2.334 426 V HA 0.254 4.374 4.120 0.000 0.000 0.267 426 V C -0.668 175.400 176.094 -0.044 0.000 1.040 426 V CA -0.553 61.733 62.300 -0.023 0.000 0.866 426 V CB 0.192 32.101 31.823 0.143 0.000 1.019 426 V HN 0.527 nan 8.190 nan 0.000 0.468 427 Y N 3.173 123.487 120.300 0.024 0.000 2.341 427 Y HA 0.483 5.033 4.550 0.000 0.000 0.340 427 Y C 0.936 176.902 175.900 0.109 0.000 0.997 427 Y CA -0.281 57.833 58.100 0.023 0.000 1.149 427 Y CB 1.605 39.963 38.460 -0.170 0.000 1.171 427 Y HN 0.671 nan 8.280 nan 0.000 0.494 428 S N 1.041 116.938 115.700 0.328 0.000 2.593 428 S HA 0.649 5.119 4.470 0.000 0.000 0.297 428 S C 0.563 175.304 174.600 0.235 0.000 1.112 428 S CA -0.468 57.917 58.200 0.308 0.000 1.043 428 S CB 1.551 65.003 63.200 0.419 0.000 1.054 428 S HN 1.336 nan 8.310 nan 0.000 0.516 429 G N 1.423 110.341 108.800 0.197 0.000 2.371 429 G HA2 -0.154 3.806 3.960 0.000 0.000 0.299 429 G HA3 -0.154 3.806 3.960 0.000 0.000 0.299 429 G C -0.346 174.638 174.900 0.140 0.000 1.014 429 G CA -0.027 45.160 45.100 0.145 0.000 1.097 429 G HN 0.705 nan 8.290 nan 0.000 0.512 430 I N 0.399 121.078 120.570 0.181 0.000 2.410 430 I HA 0.279 4.449 4.170 0.000 0.000 0.286 430 I C 1.032 177.314 176.117 0.274 0.000 1.009 430 I CA -0.953 60.450 61.300 0.172 0.000 1.111 430 I CB 1.395 39.457 38.000 0.103 0.000 1.262 430 I HN 0.137 nan 8.210 nan 0.000 0.443 431 L N 6.440 127.777 121.223 0.190 0.000 2.084 431 L HA 0.244 4.584 4.340 0.000 0.000 0.202 431 L C 0.506 177.546 176.870 0.283 0.000 1.074 431 L CA 1.686 56.641 54.840 0.191 0.000 0.757 431 L CB -0.227 41.889 42.059 0.094 0.000 0.918 431 L HN 0.487 nan 8.230 nan 0.000 0.444 432 N N -0.200 118.614 118.700 0.191 0.000 2.417 432 N HA 0.171 4.911 4.740 0.000 0.000 0.274 432 N C 0.693 176.231 175.510 0.045 0.000 0.987 432 N CA -0.404 52.746 53.050 0.166 0.000 0.912 432 N CB 1.566 40.102 38.487 0.082 0.000 1.177 432 N HN 0.082 nan 8.380 nan 0.000 0.490 433 Q N 0.618 120.393 119.800 -0.041 0.000 2.133 433 Q HA -0.162 4.178 4.340 0.000 0.000 0.208 433 Q C 1.290 177.197 176.000 -0.155 0.000 0.991 433 Q CA 1.694 57.344 55.803 -0.254 0.000 0.867 433 Q CB -0.437 28.094 28.738 -0.345 0.000 0.911 433 Q HN 0.755 nan 8.270 nan 0.000 0.417 434 S N -0.034 115.618 115.700 -0.081 0.000 2.584 434 S HA -0.105 4.365 4.470 0.000 0.000 0.240 434 S C 1.415 175.979 174.600 -0.060 0.000 0.975 434 S CA 0.771 58.933 58.200 -0.063 0.000 0.949 434 S CB -0.134 63.048 63.200 -0.031 0.000 0.761 434 S HN 0.370 nan 8.310 nan 0.000 0.536 435 E N 0.843 121.004 120.200 -0.065 0.000 2.152 435 E HA 0.108 4.458 4.350 0.000 0.000 0.192 435 E C 0.131 176.677 176.600 -0.090 0.000 0.983 435 E CA 0.342 56.711 56.400 -0.052 0.000 0.818 435 E CB -0.185 29.498 29.700 -0.028 0.000 0.758 435 E HN 0.636 nan 8.360 nan 0.000 0.467 436 I N 2.851 123.318 120.570 -0.172 0.000 2.581 436 I HA -0.050 4.120 4.170 0.000 0.000 0.285 436 I C 0.481 176.506 176.117 -0.152 0.000 1.129 436 I CA 0.625 61.761 61.300 -0.272 0.000 1.397 436 I CB 0.110 37.802 38.000 -0.514 0.000 1.399 436 I HN -0.025 nan 8.210 nan 0.000 0.537 437 K N 4.793 125.145 120.400 -0.080 0.000 2.208 437 K HA 0.333 4.653 4.320 0.000 0.000 0.240 437 K C 0.706 177.324 176.600 0.030 0.000 1.088 437 K CA -0.860 55.413 56.287 -0.023 0.000 0.902 437 K CB 1.166 33.660 32.500 -0.010 0.000 1.355 437 K HN 0.397 nan 8.250 nan 0.000 0.526 438 E N 0.905 121.128 120.200 0.038 0.000 2.107 438 E HA -0.180 4.170 4.350 0.000 0.000 0.191 438 E C 0.788 177.436 176.600 0.081 0.000 0.982 438 E CA 1.382 57.822 56.400 0.067 0.000 0.809 438 E CB 0.157 29.881 29.700 0.040 0.000 0.756 438 E HN 0.496 nan 8.360 nan 0.000 0.459 439 D N -0.247 120.182 120.400 0.049 0.000 2.347 439 D HA -0.024 4.616 4.640 0.000 0.000 0.213 439 D C -0.270 176.053 176.300 0.037 0.000 0.985 439 D CA 0.265 54.283 54.000 0.029 0.000 0.879 439 D CB 0.215 41.019 40.800 0.008 0.000 0.919 439 D HN -0.049 nan 8.370 nan 0.000 0.526 440 T N 0.271 114.876 114.554 0.085 0.000 2.831 440 T HA -0.008 4.342 4.350 0.000 0.000 0.291 440 T C 0.190 174.984 174.700 0.156 0.000 0.981 440 T CA 0.066 62.243 62.100 0.129 0.000 1.174 440 T CB 0.843 69.816 68.868 0.174 0.000 0.929 440 T HN -0.054 nan 8.240 nan 0.000 0.532 441 S N 2.577 118.269 115.700 -0.013 0.000 2.565 441 S HA 0.618 5.088 4.470 0.000 0.000 0.276 441 S C -0.332 174.085 174.600 -0.305 0.000 1.326 441 S CA -0.809 57.235 58.200 -0.259 0.000 1.045 441 S CB -0.143 62.877 63.200 -0.299 0.000 0.918 441 S HN 0.522 nan 8.310 nan 0.000 0.505 442 F N 1.907 121.560 119.950 -0.494 0.000 2.922 442 F HA 0.821 5.348 4.527 0.000 0.000 0.345 442 F C -1.714 173.603 175.800 -0.805 0.000 1.209 442 F CA -1.900 55.607 58.000 -0.822 0.000 1.018 442 F CB 0.553 38.758 39.000 -1.325 0.000 1.472 442 F HN 0.337 nan 8.300 nan 0.000 0.521 443 F N 1.062 121.105 119.950 0.156 0.000 2.477 443 F HA 0.685 5.212 4.527 0.000 0.000 0.335 443 F C 0.588 176.499 175.800 0.186 0.000 1.130 443 F CA -1.300 56.754 58.000 0.090 0.000 0.948 443 F CB 1.548 40.541 39.000 -0.012 0.000 1.154 443 F HN 0.819 nan 8.300 nan 0.000 0.439 444 G N 2.071 111.088 108.800 0.361 0.000 2.420 444 G HA2 0.485 4.445 3.960 0.000 0.000 0.284 444 G HA3 0.485 4.445 3.960 0.000 0.000 0.284 444 G C -0.879 174.079 174.900 0.096 0.000 1.177 444 G CA -0.516 44.722 45.100 0.230 0.000 0.841 444 G HN 0.431 nan 8.290 nan 0.000 0.527 445 V N 1.780 121.719 119.914 0.041 0.000 2.461 445 V HA 0.114 4.234 4.120 0.000 0.000 0.275 445 V C 1.285 177.358 176.094 -0.034 0.000 1.047 445 V CA -0.100 62.192 62.300 -0.013 0.000 0.955 445 V CB 1.290 33.113 31.823 -0.000 0.000 0.988 445 V HN 1.020 nan 8.190 nan 0.000 0.471 446 Q N 3.840 123.589 119.800 -0.086 0.000 2.089 446 Q HA 0.093 4.433 4.340 0.000 0.000 0.195 446 Q C 0.732 176.686 176.000 -0.077 0.000 0.963 446 Q CA 1.075 56.829 55.803 -0.082 0.000 0.834 446 Q CB 0.484 29.149 28.738 -0.121 0.000 0.906 446 Q HN 0.824 nan 8.270 nan 0.000 0.452 447 E N -0.315 119.819 120.200 -0.111 0.000 2.383 447 E HA 0.445 4.795 4.350 0.000 0.000 0.275 447 E C -1.556 174.986 176.600 -0.096 0.000 0.918 447 E CA -0.621 55.729 56.400 -0.083 0.000 0.764 447 E CB 1.720 31.380 29.700 -0.067 0.000 1.252 447 E HN 0.232 nan 8.360 nan 0.000 0.449 448 I N 3.961 124.476 120.570 -0.090 0.000 2.433 448 I HA 0.383 4.553 4.170 0.000 0.000 0.292 448 I C -0.544 175.522 176.117 -0.085 0.000 1.001 448 I CA -0.725 60.474 61.300 -0.169 0.000 1.119 448 I CB 1.542 39.368 38.000 -0.290 0.000 1.289 448 I HN 0.415 nan 8.210 nan 0.000 0.438 449 I N 7.506 128.057 120.570 -0.032 0.000 2.437 449 I HA 0.408 4.578 4.170 0.000 0.000 0.279 449 I C -0.401 175.833 176.117 0.195 0.000 1.028 449 I CA -0.305 61.062 61.300 0.111 0.000 1.142 449 I CB 1.018 39.124 38.000 0.177 0.000 1.266 449 I HN 0.341 nan 8.210 nan 0.000 0.461 450 I N 4.251 124.903 120.570 0.138 0.000 2.385 450 I HA 0.197 4.367 4.170 0.000 0.000 0.294 450 I C 0.413 176.688 176.117 0.264 0.000 0.988 450 I CA -0.782 60.596 61.300 0.130 0.000 1.265 450 I CB 1.031 39.069 38.000 0.063 0.000 1.388 450 I HN 0.497 nan 8.210 nan 0.000 0.480 451 H N 5.763 124.845 119.070 0.021 0.000 3.070 451 H HA -0.057 4.499 4.556 0.000 0.000 0.313 451 H C 0.866 176.258 175.328 0.108 0.000 0.997 451 H CA 0.377 56.386 56.048 -0.064 0.000 1.438 451 H CB 0.464 29.936 29.762 -0.485 0.000 1.455 451 H HN 0.528 nan 8.280 nan 0.000 0.575 452 D N 3.635 123.867 120.400 -0.280 0.000 2.220 452 D HA -0.231 4.409 4.640 0.000 0.000 0.198 452 D C 0.780 176.912 176.300 -0.280 0.000 1.001 452 D CA 1.578 55.446 54.000 -0.220 0.000 0.875 452 D CB 0.232 40.936 40.800 -0.159 0.000 0.921 452 D HN 0.743 nan 8.370 nan 0.000 0.454 453 Q N -0.771 118.721 119.800 -0.513 0.000 2.247 453 Q HA 0.020 4.360 4.340 0.000 0.000 0.204 453 Q C -0.026 175.788 176.000 -0.311 0.000 0.872 453 Q CA -0.400 55.174 55.803 -0.382 0.000 0.951 453 Q CB 0.350 28.800 28.738 -0.480 0.000 1.099 453 Q HN 0.317 nan 8.270 nan 0.000 0.501 454 Y N 0.706 120.920 120.300 -0.144 0.000 2.411 454 Y HA 0.032 4.582 4.550 0.000 0.000 0.333 454 Y C 0.665 176.530 175.900 -0.059 0.000 1.186 454 Y CA 0.631 58.720 58.100 -0.019 0.000 1.381 454 Y CB 0.739 39.249 38.460 0.083 0.000 1.273 454 Y HN -0.246 nan 8.280 nan 0.000 0.546 455 K N 3.083 122.903 120.400 -0.968 0.000 2.770 455 K HA 0.353 4.673 4.320 0.000 0.000 0.195 455 K C -1.203 174.850 176.600 -0.911 0.000 1.515 455 K CA 0.210 56.035 56.287 -0.771 0.000 1.199 455 K CB 0.641 32.905 32.500 -0.393 0.000 1.681 455 K HN 0.774 nan 8.250 nan 0.000 0.586 456 M N -1.121 118.000 119.600 -0.799 0.000 2.426 456 M HA 0.401 4.881 4.480 0.000 0.000 0.289 456 M C -0.401 175.853 176.300 -0.078 0.000 1.168 456 M CA -0.331 54.733 55.300 -0.393 0.000 0.933 456 M CB 1.717 34.144 32.600 -0.289 0.000 1.750 456 M HN 0.122 nan 8.290 nan 0.000 0.494 457 A N 2.195 125.044 122.820 0.050 0.000 1.923 457 A HA -0.255 4.065 4.320 0.000 0.000 0.222 457 A C 1.299 178.680 177.584 -0.338 0.000 1.258 457 A CA 2.894 54.945 52.037 0.023 0.000 0.670 457 A CB -0.803 18.090 19.000 -0.178 0.000 0.834 457 A HN 0.939 nan 8.150 nan 0.000 0.470 458 E N -0.097 119.635 120.200 -0.779 0.000 2.112 458 E HA -0.015 4.335 4.350 0.000 0.000 0.190 458 E C 2.186 178.606 176.600 -0.299 0.000 0.979 458 E CA 1.073 56.805 56.400 -1.113 0.000 0.814 458 E CB -0.341 28.674 29.700 -1.142 0.000 0.762 458 E HN 0.587 nan 8.360 nan 0.000 0.460 459 S N 0.116 115.713 115.700 -0.171 0.000 2.488 459 S HA 0.039 4.509 4.470 0.000 0.000 0.246 459 S C 1.047 175.767 174.600 0.199 0.000 0.992 459 S CA 0.653 58.842 58.200 -0.018 0.000 0.963 459 S CB -0.745 62.393 63.200 -0.104 0.000 0.754 459 S HN 0.514 nan 8.310 nan 0.000 0.519 460 G N -0.041 108.931 108.800 0.287 0.000 2.757 460 G HA2 -0.139 3.821 3.960 0.000 0.000 0.638 460 G HA3 -0.139 3.821 3.960 0.000 0.000 0.638 460 G C -0.249 175.069 174.900 0.697 0.000 1.344 460 G CA -0.392 44.989 45.100 0.469 0.000 0.855 460 G HN 0.414 nan 8.290 nan 0.000 0.537 461 Y N -2.344 118.109 120.300 0.255 0.000 4.841 461 Y HA -0.187 4.363 4.550 0.000 0.000 0.242 461 Y C 1.116 177.025 175.900 0.016 0.000 1.002 461 Y CA 1.261 59.465 58.100 0.174 0.000 2.011 461 Y CB -1.809 36.862 38.460 0.351 0.000 1.554 461 Y HN 0.952 nan 8.280 nan 0.000 0.618 462 D N 1.802 122.306 120.400 0.174 0.000 2.489 462 D HA 0.369 5.009 4.640 0.000 0.000 0.237 462 D C 0.004 176.153 176.300 -0.250 0.000 1.212 462 D CA 0.543 54.484 54.000 -0.098 0.000 1.058 462 D CB -0.393 40.533 40.800 0.210 0.000 1.098 462 D HN 0.451 nan 8.370 nan 0.000 0.509 463 I N 1.122 121.452 120.570 -0.400 0.000 2.680 463 I HA 0.628 4.798 4.170 0.000 0.000 0.291 463 I C -1.863 174.102 176.117 -0.254 0.000 1.244 463 I CA -0.578 60.494 61.300 -0.381 0.000 1.042 463 I CB 1.582 39.151 38.000 -0.718 0.000 1.277 463 I HN 0.283 nan 8.210 nan 0.000 0.423 464 A N 7.391 130.192 122.820 -0.031 0.000 2.515 464 A HA 0.843 5.163 4.320 0.000 0.000 0.296 464 A C -1.930 175.782 177.584 0.213 0.000 1.094 464 A CA -0.615 51.479 52.037 0.095 0.000 0.718 464 A CB 1.943 20.903 19.000 -0.068 0.000 1.307 464 A HN 0.694 nan 8.150 nan 0.000 0.408 465 L N 0.554 121.932 121.223 0.259 0.000 2.313 465 L HA 0.669 5.009 4.340 0.000 0.000 0.268 465 L C -1.034 175.943 176.870 0.178 0.000 1.010 465 L CA -0.787 54.225 54.840 0.286 0.000 0.814 465 L CB 1.838 44.094 42.059 0.328 0.000 1.304 465 L HN 0.606 nan 8.230 nan 0.000 0.441 466 L N 2.412 123.754 121.223 0.197 0.000 2.446 466 L HA 0.398 4.738 4.340 0.000 0.000 0.268 466 L C -0.571 176.087 176.870 -0.353 0.000 0.975 466 L CA -0.514 54.306 54.840 -0.034 0.000 0.848 466 L CB 1.905 43.970 42.059 0.010 0.000 1.225 466 L HN 0.503 nan 8.230 nan 0.000 0.410 467 K N 3.981 124.034 120.400 -0.579 0.000 2.297 467 K HA 0.503 4.823 4.320 0.000 0.000 0.286 467 K C -0.639 175.626 176.600 -0.558 0.000 1.053 467 K CA -0.450 55.208 56.287 -1.048 0.000 0.940 467 K CB 0.848 32.888 32.500 -0.767 0.000 1.019 467 K HN 0.509 nan 8.250 nan 0.000 0.475 468 L N 3.746 124.629 121.223 -0.566 0.000 2.399 468 L HA 0.130 4.470 4.340 0.000 0.000 0.266 468 L C 1.584 178.332 176.870 -0.203 0.000 1.114 468 L CA -0.664 53.992 54.840 -0.307 0.000 0.804 468 L CB 1.088 42.951 42.059 -0.328 0.000 1.146 468 L HN 0.743 nan 8.230 nan 0.000 0.451 469 E N 0.768 120.919 120.200 -0.081 0.000 2.077 469 E HA -0.082 4.268 4.350 0.000 0.000 0.193 469 E C 0.534 177.113 176.600 -0.036 0.000 0.989 469 E CA 1.275 57.653 56.400 -0.037 0.000 0.800 469 E CB 0.094 29.809 29.700 0.026 0.000 0.746 469 E HN 0.823 nan 8.360 nan 0.000 0.452 470 T N -1.989 112.562 114.554 -0.004 0.000 2.865 470 T HA 0.433 4.783 4.350 0.000 0.000 0.294 470 T C 0.114 174.759 174.700 -0.092 0.000 1.119 470 T CA -0.840 61.258 62.100 -0.003 0.000 1.007 470 T CB 2.024 70.943 68.868 0.084 0.000 1.225 470 T HN 0.012 nan 8.240 nan 0.000 0.515 471 T N -1.054 113.435 114.554 -0.108 0.000 2.902 471 T HA 0.642 4.992 4.350 0.000 0.000 0.280 471 T C -0.199 174.352 174.700 -0.249 0.000 0.992 471 T CA -0.747 61.226 62.100 -0.211 0.000 1.015 471 T CB 0.838 69.614 68.868 -0.154 0.000 1.044 471 T HN 0.625 nan 8.240 nan 0.000 0.520 472 V N 2.407 122.071 119.914 -0.416 0.000 2.370 472 V HA 0.336 4.456 4.120 0.000 0.000 0.283 472 V C -0.000 175.825 176.094 -0.448 0.000 1.023 472 V CA -1.122 60.948 62.300 -0.384 0.000 0.857 472 V CB 0.649 32.169 31.823 -0.505 0.000 0.985 472 V HN 0.927 nan 8.190 nan 0.000 0.443 473 N N 4.414 122.997 118.700 -0.196 0.000 2.401 473 N HA 0.334 5.074 4.740 0.000 0.000 0.255 473 N C -0.838 174.605 175.510 -0.112 0.000 1.110 473 N CA -0.444 52.499 53.050 -0.178 0.000 0.949 473 N CB 0.277 38.741 38.487 -0.039 0.000 1.110 473 N HN 0.560 nan 8.380 nan 0.000 0.490 474 Y N 0.975 121.309 120.300 0.057 0.000 2.550 474 Y HA 0.130 4.680 4.550 0.000 0.000 0.343 474 Y C 1.572 177.507 175.900 0.059 0.000 1.245 474 Y CA -0.354 57.784 58.100 0.064 0.000 1.462 474 Y CB 0.358 38.853 38.460 0.060 0.000 1.340 474 Y HN 0.440 nan 8.280 nan 0.000 0.604 475 T N -3.009 111.694 114.554 0.247 0.000 2.812 475 T HA 0.261 4.611 4.350 0.000 0.000 0.294 475 T C 0.216 174.986 174.700 0.117 0.000 1.159 475 T CA -0.932 61.255 62.100 0.144 0.000 1.008 475 T CB 1.529 70.463 68.868 0.110 0.000 1.289 475 T HN 0.467 nan 8.240 nan 0.000 0.514 476 D N 0.679 121.123 120.400 0.073 0.000 2.351 476 D HA -0.011 4.629 4.640 0.000 0.000 0.216 476 D C 1.601 177.922 176.300 0.035 0.000 0.968 476 D CA 0.998 55.025 54.000 0.045 0.000 0.899 476 D CB -0.008 40.806 40.800 0.023 0.000 0.907 476 D HN 0.513 nan 8.370 nan 0.000 0.514 477 S N -0.386 115.348 115.700 0.056 0.000 2.503 477 S HA -0.007 4.463 4.470 0.000 0.000 0.215 477 S C 0.806 175.457 174.600 0.085 0.000 1.003 477 S CA -0.137 58.093 58.200 0.049 0.000 0.910 477 S CB 0.379 63.612 63.200 0.055 0.000 0.790 477 S HN 0.404 nan 8.310 nan 0.000 0.514 478 Q N 1.070 120.956 119.800 0.144 0.000 2.878 478 Q HA 0.452 4.792 4.340 0.000 0.000 0.232 478 Q C -1.180 175.021 176.000 0.335 0.000 0.893 478 Q CA -0.776 55.157 55.803 0.215 0.000 0.742 478 Q CB 1.266 30.145 28.738 0.235 0.000 1.354 478 Q HN -0.037 nan 8.270 nan 0.000 0.466 479 R N 1.738 122.386 120.500 0.246 0.000 2.873 479 R HA 0.687 5.027 4.340 0.000 0.000 0.264 479 R C -2.711 173.676 176.300 0.146 0.000 1.026 479 R CA -2.024 54.127 56.100 0.085 0.000 1.002 479 R CB 1.525 31.841 30.300 0.026 0.000 1.174 479 R HN 0.463 nan 8.270 nan 0.000 0.488 480 P HA 0.364 nan 4.420 nan 0.000 0.287 480 P C -0.484 176.853 177.300 0.063 0.000 1.270 480 P CA -0.518 62.633 63.100 0.085 0.000 0.844 480 P CB 1.497 33.195 31.700 -0.003 0.000 1.068 481 I N 1.131 121.706 120.570 0.008 0.000 2.676 481 I HA 0.317 4.487 4.170 0.000 0.000 0.309 481 I C -0.213 175.807 176.117 -0.161 0.000 0.990 481 I CA -0.770 60.362 61.300 -0.280 0.000 1.168 481 I CB 1.215 38.685 38.000 -0.882 0.000 1.343 481 I HN 0.354 nan 8.210 nan 0.000 0.482 482 c N 5.689 124.196 118.600 -0.154 0.000 2.443 482 c HA 0.447 5.017 4.570 0.000 0.000 0.369 482 c C 0.230 174.241 174.090 -0.132 0.000 1.241 482 c CA -0.787 55.467 56.329 -0.124 0.000 2.413 482 c CB 0.441 42.853 42.510 -0.164 0.000 2.451 482 c HN 0.528 nan 8.230 nan 0.000 0.595 483 L N 2.291 123.455 121.223 -0.098 0.000 2.357 483 L HA 0.335 4.675 4.340 0.000 0.000 0.273 483 L C -2.204 174.608 176.870 -0.096 0.000 1.080 483 L CA -1.456 53.345 54.840 -0.066 0.000 0.803 483 L CB 0.600 42.644 42.059 -0.026 0.000 1.174 483 L HN 0.368 nan 8.230 nan 0.000 0.443 484 P HA 0.033 nan 4.420 nan 0.000 0.265 484 P C -0.629 176.693 177.300 0.037 0.000 1.222 484 P CA 0.091 63.218 63.100 0.044 0.000 0.767 484 P CB 0.554 32.323 31.700 0.115 0.000 0.801 485 S N 3.091 118.806 115.700 0.025 0.000 2.552 485 S HA -0.018 4.452 4.470 0.000 0.000 0.289 485 S C 1.441 176.068 174.600 0.046 0.000 1.304 485 S CA -0.119 58.096 58.200 0.026 0.000 1.063 485 S CB 0.325 63.546 63.200 0.034 0.000 0.848 485 S HN 0.359 nan 8.310 nan 0.000 0.499 486 K N 2.522 122.935 120.400 0.023 0.000 2.211 486 K HA -0.115 4.205 4.320 0.000 0.000 0.204 486 K C 1.916 178.529 176.600 0.023 0.000 1.047 486 K CA 1.166 57.465 56.287 0.021 0.000 0.935 486 K CB -0.246 32.257 32.500 0.005 0.000 0.728 486 K HN 0.724 nan 8.250 nan 0.000 0.452 487 G N 0.792 109.606 108.800 0.023 0.000 2.882 487 G HA2 -0.121 3.839 3.960 0.000 0.000 0.206 487 G HA3 -0.121 3.839 3.960 0.000 0.000 0.206 487 G C 0.171 175.083 174.900 0.020 0.000 1.155 487 G CA 0.216 45.326 45.100 0.018 0.000 0.800 487 G HN 0.166 nan 8.290 nan 0.000 0.524 488 D N -0.381 120.041 120.400 0.037 0.000 2.696 488 D HA 0.144 4.784 4.640 0.000 0.000 0.269 488 D C 1.766 178.073 176.300 0.012 0.000 1.319 488 D CA -0.324 53.690 54.000 0.024 0.000 0.826 488 D CB 0.370 41.221 40.800 0.085 0.000 1.086 488 D HN 0.219 nan 8.370 nan 0.000 0.481 489 R N 0.266 120.776 120.500 0.015 0.000 2.115 489 R HA -0.012 4.328 4.340 0.000 0.000 0.230 489 R C 1.048 177.339 176.300 -0.016 0.000 1.111 489 R CA 0.756 56.869 56.100 0.022 0.000 0.976 489 R CB 0.081 30.392 30.300 0.019 0.000 0.870 489 R HN 0.005 nan 8.270 nan 0.000 0.445 490 N N 0.263 118.935 118.700 -0.046 0.000 2.467 490 N HA 0.014 4.754 4.740 0.000 0.000 0.184 490 N C 0.178 175.611 175.510 -0.128 0.000 1.106 490 N CA 0.167 53.177 53.050 -0.067 0.000 0.892 490 N CB 0.151 38.604 38.487 -0.057 0.000 0.969 490 N HN -0.094 nan 8.380 nan 0.000 0.454 491 V N 1.603 121.399 119.914 -0.197 0.000 3.032 491 V HA -0.031 4.089 4.120 0.000 0.000 0.307 491 V C 0.655 176.478 176.094 -0.453 0.000 1.097 491 V CA 0.256 62.321 62.300 -0.392 0.000 1.191 491 V CB 0.604 32.038 31.823 -0.650 0.000 0.964 491 V HN 0.085 nan 8.190 nan 0.000 0.494 492 I N 4.296 124.578 120.570 -0.480 0.000 2.437 492 I HA 0.319 4.489 4.170 0.000 0.000 0.279 492 I C -0.958 174.910 176.117 -0.415 0.000 1.028 492 I CA -0.454 60.654 61.300 -0.320 0.000 1.142 492 I CB 0.710 38.611 38.000 -0.165 0.000 1.266 492 I HN 0.461 nan 8.210 nan 0.000 0.461 493 Y N 3.796 123.970 120.300 -0.209 0.000 2.359 493 Y HA 0.208 4.758 4.550 0.000 0.000 0.330 493 Y C 1.656 177.485 175.900 -0.118 0.000 1.143 493 Y CA -0.150 57.814 58.100 -0.227 0.000 1.318 493 Y CB 1.026 39.375 38.460 -0.185 0.000 1.234 493 Y HN 0.606 nan 8.280 nan 0.000 0.522 494 T N -3.437 111.153 114.554 0.060 0.000 3.016 494 T HA 0.133 4.483 4.350 0.000 0.000 0.271 494 T C -0.159 174.573 174.700 0.053 0.000 0.968 494 T CA -0.113 62.010 62.100 0.038 0.000 0.891 494 T CB 0.097 68.975 68.868 0.017 0.000 1.149 494 T HN 0.450 nan 8.240 nan 0.000 0.524 495 D N 1.392 121.857 120.400 0.108 0.000 2.502 495 D HA 0.428 5.068 4.640 0.000 0.000 0.301 495 D C -0.695 175.807 176.300 0.336 0.000 1.202 495 D CA -0.402 53.706 54.000 0.180 0.000 0.878 495 D CB -0.115 40.811 40.800 0.211 0.000 1.062 495 D HN 0.377 nan 8.370 nan 0.000 0.499 496 c N 1.605 120.328 118.600 0.206 0.000 2.401 496 c HA 0.782 5.352 4.570 0.000 0.000 0.356 496 c C -0.585 173.665 174.090 0.267 0.000 1.192 496 c CA -0.640 55.900 56.329 0.351 0.000 2.028 496 c CB 0.300 42.875 42.510 0.108 0.000 2.344 496 c HN 0.537 nan 8.230 nan 0.000 0.525 497 W N -0.513 120.929 121.300 0.236 0.000 3.118 497 W HA 0.611 5.271 4.660 0.000 0.000 0.328 497 W C -0.894 175.616 176.519 -0.016 0.000 1.239 497 W CA -0.787 56.633 57.345 0.126 0.000 1.176 497 W CB 0.838 30.429 29.460 0.219 0.000 1.433 497 W HN 0.567 nan 8.180 nan 0.000 0.562 498 V N -0.054 119.936 119.914 0.127 0.000 2.407 498 V HA 0.867 4.987 4.120 0.000 0.000 0.291 498 V C -0.293 175.715 176.094 -0.144 0.000 1.018 498 V CA -0.741 61.577 62.300 0.029 0.000 0.842 498 V CB 0.557 32.430 31.823 0.084 0.000 0.996 498 V HN 0.548 nan 8.190 nan 0.000 0.426 499 T N 1.717 116.100 114.554 -0.285 0.000 2.895 499 T HA 0.986 5.336 4.350 0.000 0.000 0.283 499 T C 0.299 174.783 174.700 -0.359 0.000 1.014 499 T CA -0.088 61.697 62.100 -0.524 0.000 1.037 499 T CB 1.641 69.951 68.868 -0.930 0.000 1.006 499 T HN 1.792 nan 8.240 nan 0.000 0.468 500 G N 0.026 108.546 108.800 -0.467 0.000 2.321 500 G HA2 0.387 4.347 3.960 0.000 0.000 0.296 500 G HA3 0.387 4.347 3.960 0.000 0.000 0.296 500 G C -1.231 173.397 174.900 -0.454 0.000 1.287 500 G CA -0.802 44.097 45.100 -0.334 0.000 0.846 500 G HN 0.629 nan 8.290 nan 0.000 0.508 501 W N 0.490 121.732 121.300 -0.098 0.000 2.725 501 W HA 0.325 4.985 4.660 0.000 0.000 0.336 501 W C 1.359 177.836 176.519 -0.070 0.000 1.012 501 W CA 0.081 57.339 57.345 -0.145 0.000 1.566 501 W CB 0.705 29.954 29.460 -0.353 0.000 1.068 501 W HN 0.911 nan 8.180 nan 0.000 0.546 510 I N -1.574 119.025 120.570 0.048 0.000 1.414 510 I HA 0.052 4.222 4.170 0.000 0.000 0.312 510 I C -1.906 174.267 176.117 0.093 0.000 0.635 510 I CA -0.363 60.980 61.300 0.072 0.000 3.238 510 I CB 1.271 39.292 38.000 0.036 0.000 1.565 510 I HN 0.207 nan 8.210 nan 0.000 0.543 511 Q N 1.344 121.215 119.800 0.119 0.000 3.038 511 Q HA 0.178 4.518 4.340 0.000 0.000 0.198 511 Q C -0.855 175.279 176.000 0.223 0.000 0.992 511 Q CA -0.042 55.849 55.803 0.148 0.000 1.158 511 Q CB 0.958 29.779 28.738 0.139 0.000 1.893 511 Q HN 0.678 nan 8.270 nan 0.000 0.561 512 N N 0.400 119.183 118.700 0.139 0.000 2.171 512 N HA -0.027 4.713 4.740 0.000 0.000 0.184 512 N C -0.052 175.610 175.510 0.254 0.000 1.021 512 N CA 1.620 54.749 53.050 0.130 0.000 0.854 512 N CB 0.516 39.042 38.487 0.066 0.000 0.994 512 N HN 0.461 nan 8.380 nan 0.000 0.426 513 T N 1.087 115.760 114.554 0.198 0.000 2.875 513 T HA 0.299 4.649 4.350 0.000 0.000 0.284 513 T C -0.390 174.286 174.700 -0.040 0.000 0.995 513 T CA -0.774 61.417 62.100 0.152 0.000 1.060 513 T CB 1.514 70.413 68.868 0.053 0.000 0.967 513 T HN 0.094 nan 8.240 nan 0.000 0.476 514 L N 3.121 124.187 121.223 -0.262 0.000 2.559 514 L HA 0.141 4.481 4.340 0.000 0.000 0.274 514 L C 0.283 176.820 176.870 -0.555 0.000 1.205 514 L CA 0.233 54.502 54.840 -0.951 0.000 0.907 514 L CB 0.172 41.689 42.059 -0.903 0.000 1.153 514 L HN 0.574 nan 8.230 nan 0.000 0.490 515 Q N 4.804 124.256 119.800 -0.580 0.000 2.406 515 Q HA 0.246 4.586 4.340 0.000 0.000 0.242 515 Q C -0.645 175.172 176.000 -0.305 0.000 1.036 515 Q CA -0.091 55.526 55.803 -0.311 0.000 0.904 515 Q CB 0.415 29.028 28.738 -0.209 0.000 1.244 515 Q HN 0.636 nan 8.270 nan 0.000 0.478 516 K N 1.392 121.673 120.400 -0.200 0.000 2.118 516 K HA 0.793 5.113 4.320 0.000 0.000 0.264 516 K C -1.114 175.530 176.600 0.074 0.000 1.000 516 K CA -0.602 55.596 56.287 -0.149 0.000 0.929 516 K CB 1.168 33.724 32.500 0.092 0.000 1.021 516 K HN 0.407 nan 8.250 nan 0.000 0.463 517 A N 2.411 125.348 122.820 0.194 0.000 2.521 517 A HA 0.198 4.518 4.320 0.000 0.000 0.298 517 A C -1.345 176.291 177.584 0.087 0.000 1.044 517 A CA -0.954 51.181 52.037 0.163 0.000 0.911 517 A CB 1.131 20.148 19.000 0.029 0.000 1.376 517 A HN 0.645 nan 8.150 nan 0.000 0.392 518 K N 3.147 123.357 120.400 -0.317 0.000 2.379 518 K HA 0.542 4.862 4.320 0.000 0.000 0.284 518 K C -0.943 175.403 176.600 -0.423 0.000 1.044 518 K CA 0.242 55.959 56.287 -0.950 0.000 0.974 518 K CB 0.135 31.616 32.500 -1.698 0.000 0.962 518 K HN 0.688 nan 8.250 nan 0.000 0.474 519 I N 6.117 126.505 120.570 -0.304 0.000 2.769 519 I HA 0.346 4.516 4.170 0.000 0.000 0.298 519 I C -2.210 173.819 176.117 -0.148 0.000 1.128 519 I CA -2.332 58.866 61.300 -0.171 0.000 1.031 519 I CB 2.792 40.734 38.000 -0.095 0.000 1.235 519 I HN 0.553 nan 8.210 nan 0.000 0.423 520 P HA 0.331 nan 4.420 nan 0.000 0.284 520 P C -1.130 176.120 177.300 -0.084 0.000 1.258 520 P CA -0.546 62.502 63.100 -0.086 0.000 0.824 520 P CB 1.552 33.211 31.700 -0.068 0.000 1.038 521 L N 2.108 123.289 121.223 -0.069 0.000 2.439 521 L HA 0.433 4.773 4.340 0.000 0.000 0.259 521 L C 0.421 177.262 176.870 -0.048 0.000 1.129 521 L CA -0.326 54.469 54.840 -0.075 0.000 0.803 521 L CB 1.004 43.036 42.059 -0.046 0.000 1.161 521 L HN 0.288 nan 8.230 nan 0.000 0.462 522 V N -1.671 118.218 119.914 -0.043 0.000 2.532 522 V HA 0.483 4.603 4.120 0.000 0.000 0.294 522 V C -0.051 176.039 176.094 -0.008 0.000 1.036 522 V CA -0.628 61.661 62.300 -0.018 0.000 0.876 522 V CB 0.975 32.795 31.823 -0.005 0.000 1.012 522 V HN 0.892 nan 8.190 nan 0.000 0.432 523 T N 2.358 116.911 114.554 -0.001 0.000 2.897 523 T HA -0.049 4.301 4.350 0.000 0.000 0.304 523 T C 1.155 175.864 174.700 0.016 0.000 1.051 523 T CA 1.019 63.123 62.100 0.007 0.000 1.132 523 T CB -0.073 68.800 68.868 0.008 0.000 1.066 523 T HN 1.343 nan 8.240 nan 0.000 0.518 524 N N 1.187 119.900 118.700 0.020 0.000 2.453 524 N HA -0.140 4.600 4.740 0.000 0.000 0.183 524 N C 1.489 177.026 175.510 0.045 0.000 1.041 524 N CA 1.250 54.319 53.050 0.031 0.000 0.900 524 N CB -0.323 38.185 38.487 0.034 0.000 0.961 524 N HN 0.903 nan 8.380 nan 0.000 0.443 525 E N 0.322 120.544 120.200 0.037 0.000 2.077 525 E HA -0.255 4.095 4.350 0.000 0.000 0.193 525 E C 1.446 178.073 176.600 0.045 0.000 0.989 525 E CA 0.985 57.408 56.400 0.039 0.000 0.800 525 E CB -0.047 29.668 29.700 0.026 0.000 0.746 525 E HN 0.449 nan 8.360 nan 0.000 0.452 526 E N 0.015 120.238 120.200 0.039 0.000 2.208 526 E HA -0.119 4.231 4.350 0.000 0.000 0.193 526 E C 1.860 178.498 176.600 0.063 0.000 0.988 526 E CA 0.847 57.271 56.400 0.039 0.000 0.828 526 E CB -0.440 29.275 29.700 0.026 0.000 0.763 526 E HN 0.314 nan 8.360 nan 0.000 0.478 527 c N 0.129 118.777 118.600 0.079 0.000 2.455 527 c HA -0.136 4.434 4.570 0.000 0.000 0.281 527 c C 2.643 176.857 174.090 0.206 0.000 1.237 527 c CA 1.508 57.919 56.329 0.138 0.000 1.726 527 c CB -1.000 41.560 42.510 0.083 0.000 2.068 527 c HN 0.534 nan 8.230 nan 0.000 0.466 528 Q N 0.938 120.834 119.800 0.160 0.000 2.156 528 Q HA -0.243 4.097 4.340 0.000 0.000 0.211 528 Q C 1.998 178.095 176.000 0.162 0.000 0.995 528 Q CA 2.057 57.967 55.803 0.179 0.000 0.877 528 Q CB -0.362 28.451 28.738 0.125 0.000 0.920 528 Q HN 0.667 nan 8.270 nan 0.000 0.416 529 K N -0.725 119.738 120.400 0.105 0.000 2.589 529 K HA -0.121 4.199 4.320 0.000 0.000 0.195 529 K C 1.163 177.783 176.600 0.034 0.000 1.040 529 K CA 0.712 57.038 56.287 0.064 0.000 0.950 529 K CB 0.156 32.681 32.500 0.040 0.000 0.781 529 K HN 0.001 nan 8.250 nan 0.000 0.486 530 R N -1.219 119.305 120.500 0.039 0.000 2.419 530 R HA 0.139 4.479 4.340 0.000 0.000 0.235 530 R C -0.666 175.389 176.300 -0.408 0.000 0.899 530 R CA 0.318 56.314 56.100 -0.174 0.000 1.048 530 R CB 0.698 30.862 30.300 -0.226 0.000 1.182 530 R HN 0.027 nan 8.270 nan 0.000 0.544 531 Y N -0.139 120.219 120.300 0.096 0.000 2.475 531 Y HA 0.363 4.913 4.550 0.000 0.000 0.343 531 Y C 0.678 176.781 175.900 0.337 0.000 1.068 531 Y CA -0.930 57.272 58.100 0.169 0.000 1.307 531 Y CB 1.083 39.450 38.460 -0.156 0.000 1.097 531 Y HN -0.314 nan 8.280 nan 0.000 0.530 532 R N 0.865 121.603 120.500 0.397 0.000 2.100 532 R HA 0.064 4.404 4.340 0.000 0.000 0.220 532 R C 1.702 178.128 176.300 0.209 0.000 1.091 532 R CA 0.898 57.150 56.100 0.253 0.000 0.986 532 R CB -0.445 29.931 30.300 0.127 0.000 0.888 532 R HN 0.732 nan 8.270 nan 0.000 0.444 533 G N 2.022 110.858 108.800 0.059 0.000 3.279 533 G HA2 -0.034 3.926 3.960 0.000 0.000 0.230 533 G HA3 -0.034 3.926 3.960 0.000 0.000 0.230 533 G C -0.256 174.511 174.900 -0.222 0.000 1.230 533 G CA -0.205 44.790 45.100 -0.175 0.000 0.891 533 G HN 0.514 nan 8.290 nan 0.000 0.518 534 H N -1.580 117.565 119.070 0.125 0.000 3.093 534 H HA 0.280 4.837 4.556 0.000 0.000 0.311 534 H C -0.522 174.902 175.328 0.160 0.000 1.294 534 H CA -1.100 55.017 56.048 0.115 0.000 1.628 534 H CB 0.535 30.358 29.762 0.101 0.000 1.874 534 H HN 0.036 nan 8.280 nan 0.000 0.574 535 K N 3.607 124.152 120.400 0.242 0.000 2.504 535 K HA -0.005 4.315 4.320 0.000 0.000 0.278 535 K C -0.280 176.442 176.600 0.204 0.000 1.025 535 K CA -0.161 56.242 56.287 0.194 0.000 1.093 535 K CB 0.462 33.047 32.500 0.141 0.000 0.873 535 K HN 0.460 nan 8.250 nan 0.000 0.483 536 I N 5.716 126.392 120.570 0.177 0.000 2.291 536 I HA 0.036 4.206 4.170 0.000 0.000 0.290 536 I C 0.855 177.056 176.117 0.139 0.000 1.050 536 I CA -0.300 61.090 61.300 0.151 0.000 1.245 536 I CB 0.268 38.318 38.000 0.083 0.000 1.405 536 I HN 0.725 nan 8.210 nan 0.000 0.478 537 T N 1.759 116.410 114.554 0.161 0.000 2.816 537 T HA 0.201 4.551 4.350 0.000 0.000 0.282 537 T C 1.497 176.305 174.700 0.180 0.000 0.993 537 T CA -0.271 61.946 62.100 0.194 0.000 0.994 537 T CB 0.440 69.435 68.868 0.211 0.000 1.025 537 T HN 0.736 nan 8.240 nan 0.000 0.529 538 H N -0.295 118.770 119.070 -0.007 0.000 2.518 538 H HA 0.109 4.665 4.556 0.000 0.000 0.289 538 H C 1.360 176.654 175.328 -0.056 0.000 1.051 538 H CA 0.346 56.376 56.048 -0.029 0.000 1.280 538 H CB -0.022 29.713 29.762 -0.044 0.000 1.380 538 H HN 0.304 nan 8.280 nan 0.000 0.566 539 K N 0.744 120.936 120.400 -0.346 0.000 2.525 539 K HA 0.121 4.441 4.320 0.000 0.000 0.192 539 K C 0.205 176.783 176.600 -0.037 0.000 1.029 539 K CA 0.393 56.457 56.287 -0.372 0.000 1.029 539 K CB 0.211 32.418 32.500 -0.489 0.000 0.814 539 K HN 0.513 nan 8.250 nan 0.000 0.503 540 M N 0.221 119.827 119.600 0.009 0.000 2.598 540 M HA 0.471 4.951 4.480 0.000 0.000 0.317 540 M C -0.579 175.734 176.300 0.022 0.000 1.179 540 M CA -0.725 54.601 55.300 0.044 0.000 0.936 540 M CB 2.698 35.329 32.600 0.052 0.000 1.713 540 M HN -0.162 nan 8.290 nan 0.000 0.460 541 I N 1.936 122.516 120.570 0.017 0.000 2.563 541 I HA 0.372 4.542 4.170 0.000 0.000 0.281 541 I C -1.192 174.906 176.117 -0.031 0.000 1.110 541 I CA -0.478 60.816 61.300 -0.009 0.000 1.073 541 I CB 0.653 38.643 38.000 -0.017 0.000 1.215 541 I HN 0.795 nan 8.210 nan 0.000 0.460 542 c N 5.956 124.525 118.600 -0.051 0.000 2.534 542 c HA 0.937 5.507 4.570 0.000 0.000 0.385 542 c C 0.869 174.906 174.090 -0.087 0.000 1.264 542 c CA -0.129 56.172 56.329 -0.046 0.000 2.342 542 c CB 0.242 42.719 42.510 -0.056 0.000 2.564 542 c HN 0.856 nan 8.230 nan 0.000 0.603 555 G N 1.748 110.668 108.800 0.199 0.000 2.425 555 G HA2 -0.133 3.827 3.960 0.000 0.000 0.177 555 G HA3 -0.133 3.827 3.960 0.000 0.000 0.177 555 G C -0.049 175.067 174.900 0.360 0.000 0.999 555 G CA -0.069 45.247 45.100 0.360 0.000 0.723 555 G HN 0.483 nan 8.290 nan 0.000 0.491 556 D N 0.750 121.269 120.400 0.199 0.000 2.469 556 D HA 0.229 4.869 4.640 0.000 0.000 0.213 556 D C 0.750 177.111 176.300 0.102 0.000 1.135 556 D CA 0.129 54.211 54.000 0.137 0.000 0.834 556 D CB 0.795 41.636 40.800 0.068 0.000 1.009 556 D HN 0.201 nan 8.370 nan 0.000 0.507 557 S N -0.081 115.689 115.700 0.116 0.000 2.525 557 S HA 0.345 4.815 4.470 0.000 0.000 0.285 557 S C 1.492 176.094 174.600 0.003 0.000 1.283 557 S CA 0.772 59.032 58.200 0.099 0.000 1.072 557 S CB 0.990 64.300 63.200 0.183 0.000 0.867 557 S HN 0.487 nan 8.310 nan 0.000 0.492 558 G N 2.981 111.768 108.800 -0.023 0.000 2.234 558 G HA2 -0.214 3.746 3.960 0.000 0.000 0.260 558 G HA3 -0.214 3.746 3.960 0.000 0.000 0.260 558 G C 0.476 175.423 174.900 0.077 0.000 0.987 558 G CA -0.122 44.976 45.100 -0.003 0.000 0.625 558 G HN 1.140 nan 8.290 nan 0.000 0.532 559 G N 1.516 110.369 108.800 0.089 0.000 2.414 559 G HA2 0.459 4.419 3.960 0.000 0.000 0.236 559 G HA3 0.459 4.419 3.960 0.000 0.000 0.236 559 G C -1.572 173.414 174.900 0.143 0.000 1.293 559 G CA 0.292 45.464 45.100 0.120 0.000 0.869 559 G HN 0.437 nan 8.290 nan 0.000 0.556 560 P HA 0.243 nan 4.420 nan 0.000 0.286 560 P C -0.819 176.607 177.300 0.211 0.000 1.261 560 P CA -0.727 62.499 63.100 0.210 0.000 0.821 560 P CB 2.013 33.894 31.700 0.301 0.000 1.013 561 L N 2.356 123.698 121.223 0.199 0.000 2.335 561 L HA 0.367 4.707 4.340 0.000 0.000 0.268 561 L C -0.541 176.408 176.870 0.132 0.000 1.037 561 L CA -0.217 54.702 54.840 0.131 0.000 0.895 561 L CB 0.061 42.095 42.059 -0.041 0.000 1.266 561 L HN 0.161 nan 8.230 nan 0.000 0.439 562 S N 3.046 118.904 115.700 0.262 0.000 2.562 562 S HA 0.562 5.032 4.470 0.000 0.000 0.275 562 S C -0.543 174.432 174.600 0.625 0.000 1.281 562 S CA -0.410 58.028 58.200 0.396 0.000 1.045 562 S CB 0.669 64.147 63.200 0.463 0.000 0.962 562 S HN 0.710 nan 8.310 nan 0.000 0.503 563 c N 3.181 122.086 118.600 0.509 0.000 2.364 563 c HA 0.490 5.060 4.570 0.000 0.000 0.324 563 c C 0.319 174.400 174.090 -0.015 0.000 1.234 563 c CA -1.163 55.345 56.329 0.299 0.000 1.417 563 c CB 0.527 42.976 42.510 -0.102 0.000 2.101 563 c HN 0.892 nan 8.230 nan 0.000 0.466 564 K N 1.984 122.029 120.400 -0.593 0.000 2.185 564 K HA 0.453 4.773 4.320 0.000 0.000 0.271 564 K C -0.909 175.439 176.600 -0.420 0.000 1.013 564 K CA 0.090 55.645 56.287 -1.220 0.000 0.943 564 K CB 0.475 31.974 32.500 -1.668 0.000 0.998 564 K HN 0.882 nan 8.250 nan 0.000 0.468 565 H N 2.764 121.510 119.070 -0.541 0.000 3.099 565 H HA 0.207 4.763 4.556 0.000 0.000 0.342 565 H C -1.038 174.144 175.328 -0.243 0.000 1.054 565 H CA -0.433 55.398 56.048 -0.362 0.000 1.328 565 H CB 0.630 30.122 29.762 -0.451 0.000 1.876 565 H HN 0.827 nan 8.280 nan 0.000 0.495 566 N N 4.304 122.637 118.700 -0.611 0.000 2.710 566 N HA -0.192 4.548 4.740 0.000 0.000 0.249 566 N C -0.724 174.632 175.510 -0.258 0.000 1.059 566 N CA 1.382 54.165 53.050 -0.445 0.000 0.720 566 N CB -0.575 37.633 38.487 -0.465 0.000 0.983 566 N HN 0.833 nan 8.380 nan 0.000 0.544 567 E N -3.391 116.666 120.200 -0.238 0.000 2.759 567 E HA -0.182 4.168 4.350 0.000 0.000 0.280 567 E C -0.691 175.819 176.600 -0.149 0.000 1.009 567 E CA 0.719 57.011 56.400 -0.179 0.000 0.849 567 E CB -1.643 27.993 29.700 -0.107 0.000 1.415 567 E HN 0.362 nan 8.360 nan 0.000 0.412 568 V N -0.236 119.563 119.914 -0.192 0.000 2.932 568 V HA 0.451 4.571 4.120 0.000 0.000 0.307 568 V C -0.356 175.688 176.094 -0.083 0.000 1.147 568 V CA -0.895 61.383 62.300 -0.037 0.000 0.951 568 V CB 1.742 33.660 31.823 0.157 0.000 1.031 568 V HN 0.233 nan 8.190 nan 0.000 0.426 569 W N 2.956 124.337 121.300 0.134 0.000 2.315 569 W HA 0.571 5.231 4.660 0.000 0.000 0.316 569 W C 0.364 176.997 176.519 0.189 0.000 1.211 569 W CA -0.064 57.308 57.345 0.045 0.000 1.201 569 W CB 0.638 29.909 29.460 -0.315 0.000 1.184 569 W HN 0.531 nan 8.180 nan 0.000 0.544 570 H N 4.036 123.157 119.070 0.086 0.000 2.727 570 H HA 0.190 4.746 4.556 0.000 0.000 0.330 570 H C -0.725 174.539 175.328 -0.105 0.000 0.986 570 H CA -1.382 54.644 56.048 -0.035 0.000 1.251 570 H CB 1.818 31.560 29.762 -0.033 0.000 1.493 570 H HN 0.087 nan 8.280 nan 0.000 0.515 571 L N 6.078 127.276 121.223 -0.041 0.000 2.536 571 L HA -0.039 4.301 4.340 0.000 0.000 0.282 571 L C 1.168 178.016 176.870 -0.037 0.000 1.174 571 L CA 0.278 55.084 54.840 -0.056 0.000 0.989 571 L CB -0.512 41.507 42.059 -0.067 0.000 1.311 571 L HN 0.634 nan 8.230 nan 0.000 0.455 572 V N 2.437 122.299 119.914 -0.087 0.000 2.407 572 V HA 0.467 4.587 4.120 0.000 0.000 0.245 572 V C 0.934 176.999 176.094 -0.050 0.000 1.041 572 V CA 1.036 63.245 62.300 -0.151 0.000 1.040 572 V CB -0.777 30.815 31.823 -0.385 0.000 0.671 572 V HN 0.711 nan 8.190 nan 0.000 0.455 573 G N -0.724 108.075 108.800 -0.001 0.000 2.695 573 G HA2 0.715 4.675 3.960 0.000 0.000 0.290 573 G HA3 0.715 4.675 3.960 0.000 0.000 0.290 573 G C -1.574 173.450 174.900 0.208 0.000 1.410 573 G CA -0.913 44.246 45.100 0.098 0.000 0.844 573 G HN 0.262 nan 8.290 nan 0.000 0.478 574 I N 0.631 121.333 120.570 0.220 0.000 2.465 574 I HA 0.257 4.427 4.170 0.000 0.000 0.291 574 I C 0.161 176.308 176.117 0.051 0.000 1.014 574 I CA -0.723 60.670 61.300 0.156 0.000 1.093 574 I CB 2.335 40.369 38.000 0.057 0.000 1.267 574 I HN 0.311 nan 8.210 nan 0.000 0.431 575 T N 3.795 118.301 114.554 -0.079 0.000 2.734 575 T HA -0.031 4.319 4.350 0.000 0.000 0.269 575 T C 0.986 175.591 174.700 -0.158 0.000 0.964 575 T CA 0.329 62.171 62.100 -0.430 0.000 1.226 575 T CB 0.389 69.119 68.868 -0.229 0.000 0.910 575 T HN 0.741 nan 8.240 nan 0.000 0.534 576 S N 3.515 119.088 115.700 -0.211 0.000 2.438 576 S HA 0.228 4.698 4.470 0.000 0.000 0.220 576 S C -0.227 174.475 174.600 0.171 0.000 1.045 576 S CA -0.299 57.971 58.200 0.117 0.000 0.940 576 S CB 0.362 63.662 63.200 0.166 0.000 0.863 576 S HN 0.880 nan 8.310 nan 0.000 0.539 577 W N 0.326 121.513 121.300 -0.189 0.000 3.698 577 W HA 0.583 5.243 4.660 0.000 0.000 0.315 577 W C -0.973 175.446 176.519 -0.167 0.000 1.129 577 W CA -1.183 56.048 57.345 -0.191 0.000 1.299 577 W CB -0.083 29.270 29.460 -0.178 0.000 1.181 577 W HN 0.287 nan 8.180 nan 0.000 0.423 578 G N 2.460 111.225 108.800 -0.059 0.000 2.626 578 G HA2 0.394 4.354 3.960 0.000 0.000 0.304 578 G HA3 0.394 4.354 3.960 0.000 0.000 0.304 578 G C -1.246 173.715 174.900 0.101 0.000 1.385 578 G CA -0.578 44.478 45.100 -0.074 0.000 0.957 578 G HN 0.495 nan 8.290 nan 0.000 0.504 579 E N 2.050 122.385 120.200 0.225 0.000 2.373 579 E HA 0.495 4.845 4.350 0.000 0.000 0.263 579 E C 1.014 177.690 176.600 0.126 0.000 1.073 579 E CA 0.616 57.144 56.400 0.213 0.000 0.894 579 E CB 0.851 30.732 29.700 0.302 0.000 1.008 579 E HN 1.148 nan 8.360 nan 0.000 0.420 586 R N 1.254 121.705 120.500 -0.081 0.000 2.644 586 R HA 0.213 4.553 4.340 0.000 0.000 0.271 586 R C -1.824 174.502 176.300 0.045 0.000 1.687 586 R CA -1.388 54.653 56.100 -0.098 0.000 1.655 586 R CB 0.395 30.655 30.300 -0.066 0.000 1.285 586 R HN 0.051 nan 8.270 nan 0.000 0.643 587 P HA -0.024 nan 4.420 nan 0.000 0.199 587 P C -0.037 177.338 177.300 0.124 0.000 1.085 587 P CA 1.062 64.230 63.100 0.115 0.000 0.924 587 P CB 0.310 32.088 31.700 0.130 0.000 0.736 588 G N -1.220 107.646 108.800 0.111 0.000 2.414 588 G HA2 0.225 4.185 3.960 0.000 0.000 0.213 588 G HA3 0.225 4.185 3.960 0.000 0.000 0.213 588 G C -0.968 173.890 174.900 -0.070 0.000 1.444 588 G CA -0.728 44.376 45.100 0.006 0.000 1.076 588 G HN 0.237 nan 8.290 nan 0.000 0.638 589 V N 2.390 121.969 119.914 -0.560 0.000 2.775 589 V HA 0.663 4.783 4.120 0.000 0.000 0.299 589 V C 0.083 175.916 176.094 -0.436 0.000 1.062 589 V CA -0.048 61.846 62.300 -0.677 0.000 1.063 589 V CB 0.785 31.586 31.823 -1.703 0.000 0.994 589 V HN 0.637 nan 8.190 nan 0.000 0.483 590 Y N -0.121 119.978 120.300 -0.334 0.000 2.615 590 Y HA 0.507 5.057 4.550 0.000 0.000 0.341 590 Y C 0.419 176.266 175.900 -0.089 0.000 1.089 590 Y CA -1.157 56.846 58.100 -0.162 0.000 1.049 590 Y CB 1.792 40.192 38.460 -0.100 0.000 1.296 590 Y HN 0.626 nan 8.280 nan 0.000 0.470 591 T N -0.442 114.183 114.554 0.119 0.000 2.817 591 T HA 0.163 4.513 4.350 0.000 0.000 0.293 591 T C -0.086 174.695 174.700 0.134 0.000 0.964 591 T CA -0.830 61.332 62.100 0.103 0.000 1.085 591 T CB 0.476 69.334 68.868 -0.018 0.000 0.921 591 T HN 0.495 nan 8.240 nan 0.000 0.502 592 N N 3.057 121.849 118.700 0.154 0.000 2.549 592 N HA 0.083 4.823 4.740 0.000 0.000 0.267 592 N C 1.194 176.812 175.510 0.179 0.000 1.182 592 N CA -0.192 52.921 53.050 0.105 0.000 1.019 592 N CB -0.311 38.190 38.487 0.023 0.000 1.380 592 N HN 0.453 nan 8.380 nan 0.000 0.505 593 V N 2.803 122.808 119.914 0.152 0.000 2.252 593 V HA -0.409 3.711 4.120 0.000 0.000 0.255 593 V C 2.180 178.371 176.094 0.162 0.000 1.071 593 V CA 2.304 64.704 62.300 0.166 0.000 1.050 593 V CB -0.800 31.071 31.823 0.081 0.000 0.654 593 V HN 0.603 nan 8.190 nan 0.000 0.448 594 V N -0.461 119.501 119.914 0.081 0.000 2.233 594 V HA -0.306 3.814 4.120 0.000 0.000 0.252 594 V C 2.243 178.333 176.094 -0.007 0.000 1.063 594 V CA 2.211 64.539 62.300 0.046 0.000 1.032 594 V CB -0.934 30.918 31.823 0.048 0.000 0.645 594 V HN 0.543 nan 8.190 nan 0.000 0.446 595 E N -0.880 119.257 120.200 -0.104 0.000 2.526 595 E HA -0.148 4.202 4.350 0.000 0.000 0.205 595 E C 1.026 177.316 176.600 -0.516 0.000 1.104 595 E CA 0.979 57.182 56.400 -0.329 0.000 0.899 595 E CB -0.280 29.089 29.700 -0.551 0.000 0.838 595 E HN 0.881 nan 8.360 nan 0.000 0.564 596 Y N -2.098 118.157 120.300 -0.076 0.000 2.626 596 Y HA 0.078 4.628 4.550 0.000 0.000 0.248 596 Y C 1.796 177.740 175.900 0.074 0.000 1.147 596 Y CA -0.240 57.840 58.100 -0.034 0.000 1.219 596 Y CB 0.371 38.782 38.460 -0.081 0.000 1.279 596 Y HN -0.171 nan 8.280 nan 0.000 0.541 597 V N 0.229 120.222 119.914 0.131 0.000 2.250 597 V HA -0.352 3.768 4.120 0.000 0.000 0.250 597 V C 1.779 177.913 176.094 0.067 0.000 1.060 597 V CA 2.409 64.757 62.300 0.082 0.000 1.030 597 V CB -0.280 31.560 31.823 0.029 0.000 0.643 597 V HN 0.368 nan 8.190 nan 0.000 0.445 598 D N -1.363 119.079 120.400 0.071 0.000 2.087 598 D HA -0.241 4.399 4.640 0.000 0.000 0.192 598 D C 1.659 178.007 176.300 0.080 0.000 0.993 598 D CA 1.722 55.754 54.000 0.055 0.000 0.828 598 D CB -0.516 40.322 40.800 0.064 0.000 0.968 598 D HN 0.610 nan 8.370 nan 0.000 0.448 599 W N 1.921 123.227 121.300 0.009 0.000 2.290 599 W HA -0.266 4.394 4.660 0.000 0.000 0.323 599 W C 2.260 178.767 176.519 -0.020 0.000 1.260 599 W CA 1.853 59.218 57.345 0.035 0.000 1.266 599 W CB -0.598 28.906 29.460 0.074 0.000 1.149 599 W HN -0.054 nan 8.180 nan 0.000 0.482 600 I N -0.172 120.388 120.570 -0.016 0.000 2.163 600 I HA -0.361 3.809 4.170 0.000 0.000 0.243 600 I C 2.479 178.364 176.117 -0.387 0.000 1.085 600 I CA 1.608 62.742 61.300 -0.278 0.000 1.347 600 I CB -1.072 36.898 38.000 -0.049 0.000 1.044 600 I HN 0.034 nan 8.210 nan 0.000 0.408 601 L N 0.353 121.440 121.223 -0.227 0.000 2.141 601 L HA -0.182 4.158 4.340 0.000 0.000 0.209 601 L C 2.750 179.477 176.870 -0.238 0.000 1.094 601 L CA 1.127 55.836 54.840 -0.219 0.000 0.763 601 L CB -0.578 41.406 42.059 -0.125 0.000 0.908 601 L HN 0.350 nan 8.230 nan 0.000 0.437 602 E N 0.772 120.835 120.200 -0.228 0.000 2.072 602 E HA -0.195 4.155 4.350 0.000 0.000 0.191 602 E C 1.425 177.846 176.600 -0.298 0.000 0.985 602 E CA 0.915 57.193 56.400 -0.203 0.000 0.801 602 E CB 0.195 29.814 29.700 -0.136 0.000 0.750 602 E HN 0.227 nan 8.360 nan 0.000 0.452 603 K N 1.377 121.477 120.400 -0.500 0.000 2.643 603 K HA 0.004 4.324 4.320 0.000 0.000 0.193 603 K C 0.561 176.832 176.600 -0.549 0.000 1.027 603 K CA 0.552 56.502 56.287 -0.561 0.000 1.033 603 K CB -0.205 31.752 32.500 -0.905 0.000 0.827 603 K HN 0.352 nan 8.250 nan 0.000 0.500 604 T N 0.000 114.283 114.554 -0.452 0.000 3.816 604 T HA 0.000 4.350 4.350 0.000 0.000 0.228 604 T CA 0.000 61.858 62.100 -0.403 0.000 1.349 604 T CB 0.000 68.442 68.868 -0.711 0.000 0.612 604 T HN 0.000 nan 8.240 nan 0.000 0.658