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 2vya_1_A DATA FIRST_RESID 33 DATA SEQUENCE GRQKARGAAT RARQKQRASL ETMDKAVQRF RLQNPDLDSE ALLTLPLLQL DATA SEQUENCE VQKLQSGELS PEAVFFTYLG KAWEVNKGTN CVTSYLTDCE TQLSQAPRQG DATA SEQUENCE LLYGVPVSLK ECFSYKGHDS TLGLSLNEGM PSESDCVVVQ VLKLQGAVPF DATA SEQUENCE VHTNVPQSMF SYDCSNPLFG QTMNPWKSSK SPGGSSGGEG ALIGSGGSPL DATA SEQUENCE GLGTDIGGSI RFPSAFCGIC GLKPTGNRLS KSGLKGCVYG QTAVQLSLGP DATA SEQUENCE MARDVESLAL CLKALLCEHL FTLDPTVPPL PFREEVYRSS RPLRVGYYET DATA SEQUENCE DNYTMPSPAM RRALIETKQR LEAAGHTLIP FLPNNIPYAL EVLSTGGLFS DATA SEQUENCE DGGRSFLQNF KGDFVDPCLG DLILILRLPS WFKRLLSLLL KPLFPRLAAF DATA SEQUENCE LNNMRPRSAE KLWKLQHEIE MYRQSVIAQW KAMNLDVLLT PMLGPALDLN DATA SEQUENCE TPGRATGAVS YTMLYNCLDF PAGVVPVTTV TAEDDAQMEL YKGYFGDIWD DATA SEQUENCE IILKKAMKNS VGLPVAVQCV ALPWQEELCL RFMREVEQLM TPQ 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 33 G HA2 0.000 nan 3.960 nan 0.000 0.244 33 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 33 G C 0.000 174.844 174.900 -0.093 0.000 0.946 33 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 34 R N 0.187 120.619 120.500 -0.113 0.000 2.522 34 R HA 0.237 4.576 4.340 -0.001 0.000 0.418 34 R C 1.162 177.363 176.300 -0.166 0.000 0.973 34 R CA -0.151 55.812 56.100 -0.228 0.000 1.096 34 R CB 0.235 30.296 30.300 -0.399 0.000 1.449 34 R HN 0.407 nan 8.270 nan 0.000 0.622 35 Q N 0.366 120.116 119.800 -0.085 0.000 2.163 35 Q HA -0.033 4.306 4.340 -0.001 0.000 0.198 35 Q C 1.656 177.638 176.000 -0.030 0.000 0.954 35 Q CA 1.047 56.830 55.803 -0.033 0.000 0.851 35 Q CB 0.330 29.056 28.738 -0.020 0.000 0.928 35 Q HN 0.154 nan 8.270 nan 0.000 0.459 36 K N -0.063 120.307 120.400 -0.050 0.000 2.074 36 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 36 K C 1.835 178.411 176.600 -0.041 0.000 1.048 36 K CA 1.334 57.595 56.287 -0.043 0.000 0.926 36 K CB -0.159 32.309 32.500 -0.052 0.000 0.713 36 K HN 0.239 nan 8.250 nan 0.000 0.444 37 A N 1.266 124.038 122.820 -0.080 0.000 1.898 37 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 37 A C 2.064 179.717 177.584 0.114 0.000 1.181 37 A CA 1.247 53.255 52.037 -0.049 0.000 0.620 37 A CB -0.376 18.464 19.000 -0.267 0.000 0.819 37 A HN 0.321 nan 8.150 nan 0.000 0.442 38 R N -0.790 119.797 120.500 0.144 0.000 2.092 38 R HA -0.074 4.265 4.340 -0.001 0.000 0.231 38 R C 2.396 178.743 176.300 0.079 0.000 1.119 38 R CA 0.987 57.200 56.100 0.189 0.000 0.970 38 R CB -0.623 29.781 30.300 0.173 0.000 0.864 38 R HN 0.530 nan 8.270 nan 0.000 0.440 39 G N 1.131 109.956 108.800 0.042 0.000 2.491 39 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.218 39 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.218 39 G C 1.577 176.482 174.900 0.010 0.000 1.180 39 G CA 1.010 46.122 45.100 0.019 0.000 0.774 39 G HN 0.418 nan 8.290 nan 0.000 0.562 40 A N 1.311 124.133 122.820 0.004 0.000 1.873 40 A HA 0.116 4.436 4.320 -0.001 0.000 0.218 40 A C 2.880 180.436 177.584 -0.048 0.000 1.193 40 A CA 2.845 54.869 52.037 -0.020 0.000 0.629 40 A CB -1.068 17.916 19.000 -0.028 0.000 0.826 40 A HN 1.005 nan 8.150 nan 0.000 0.447 41 A N -1.176 121.627 122.820 -0.028 0.000 1.908 41 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 41 A C 2.305 179.853 177.584 -0.060 0.000 1.181 41 A CA 2.438 54.431 52.037 -0.074 0.000 0.627 41 A CB -1.350 17.631 19.000 -0.032 0.000 0.818 41 A HN 0.483 nan 8.150 nan 0.000 0.445 42 T N -0.607 113.936 114.554 -0.017 0.000 2.746 42 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 42 T C 2.081 176.785 174.700 0.005 0.000 1.039 42 T CA 1.479 63.578 62.100 -0.003 0.000 1.142 42 T CB -0.200 68.674 68.868 0.010 0.000 0.866 42 T HN 0.498 nan 8.240 nan 0.000 0.444 43 R N 0.825 121.327 120.500 0.003 0.000 2.062 43 R HA 0.039 4.379 4.340 -0.001 0.000 0.231 43 R C 2.931 179.254 176.300 0.038 0.000 1.136 43 R CA 1.267 57.380 56.100 0.022 0.000 0.948 43 R CB -0.634 29.677 30.300 0.019 0.000 0.845 43 R HN 0.367 nan 8.270 nan 0.000 0.430 44 A N 1.346 124.155 122.820 -0.018 0.000 1.903 44 A HA -0.271 4.049 4.320 -0.001 0.000 0.219 44 A C 2.148 179.803 177.584 0.117 0.000 1.191 44 A CA 1.851 53.866 52.037 -0.037 0.000 0.638 44 A CB -0.519 18.185 19.000 -0.493 0.000 0.823 44 A HN 0.280 nan 8.150 nan 0.000 0.451 45 R N -0.523 119.996 120.500 0.032 0.000 2.066 45 R HA -0.153 4.187 4.340 -0.001 0.000 0.232 45 R C 2.665 179.035 176.300 0.115 0.000 1.131 45 R CA 1.580 57.737 56.100 0.094 0.000 0.955 45 R CB -0.409 29.911 30.300 0.033 0.000 0.851 45 R HN 0.921 nan 8.270 nan 0.000 0.432 46 Q N 1.117 120.968 119.800 0.085 0.000 2.124 46 Q HA -0.161 4.178 4.340 -0.001 0.000 0.202 46 Q C 1.565 177.631 176.000 0.111 0.000 0.977 46 Q CA 1.312 57.166 55.803 0.084 0.000 0.850 46 Q CB -0.119 28.656 28.738 0.061 0.000 0.901 46 Q HN 0.185 nan 8.270 nan 0.000 0.429 47 K N 0.708 121.190 120.400 0.136 0.000 2.032 47 K HA -0.238 4.082 4.320 -0.001 0.000 0.209 47 K C 2.258 178.969 176.600 0.184 0.000 1.048 47 K CA 1.880 58.264 56.287 0.163 0.000 0.927 47 K CB -0.206 32.413 32.500 0.197 0.000 0.712 47 K HN 0.419 nan 8.250 nan 0.000 0.441 48 Q N 1.087 121.025 119.800 0.230 0.000 2.061 48 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 48 Q C 2.228 178.312 176.000 0.141 0.000 0.984 48 Q CA 1.510 57.426 55.803 0.188 0.000 0.846 48 Q CB 0.002 28.894 28.738 0.256 0.000 0.902 48 Q HN 0.158 nan 8.270 nan 0.000 0.421 49 R N -0.458 120.122 120.500 0.134 0.000 2.091 49 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 49 R C 2.188 178.562 176.300 0.123 0.000 1.136 49 R CA 1.487 57.655 56.100 0.113 0.000 0.959 49 R CB -0.320 30.036 30.300 0.094 0.000 0.856 49 R HN 0.390 nan 8.270 nan 0.000 0.437 50 A N -0.552 122.343 122.820 0.125 0.000 1.873 50 A HA -0.117 4.203 4.320 -0.001 0.000 0.215 50 A C 2.183 179.858 177.584 0.152 0.000 1.186 50 A CA 1.688 53.800 52.037 0.125 0.000 0.616 50 A CB -0.682 18.387 19.000 0.115 0.000 0.823 50 A HN 0.336 nan 8.150 nan 0.000 0.442 51 S N -0.342 115.464 115.700 0.176 0.000 2.369 51 S HA -0.189 4.280 4.470 -0.001 0.000 0.225 51 S C 1.813 176.522 174.600 0.182 0.000 1.043 51 S CA 1.851 60.188 58.200 0.228 0.000 1.074 51 S CB -0.440 62.893 63.200 0.221 0.000 0.962 51 S HN 0.375 nan 8.310 nan 0.000 0.433 52 L N 1.342 122.665 121.223 0.166 0.000 2.131 52 L HA -0.057 4.282 4.340 -0.001 0.000 0.210 52 L C 2.378 179.403 176.870 0.259 0.000 1.092 52 L CA 1.622 56.596 54.840 0.222 0.000 0.759 52 L CB -0.889 41.278 42.059 0.181 0.000 0.903 52 L HN 0.269 nan 8.230 nan 0.000 0.435 53 E N -0.901 119.406 120.200 0.177 0.000 2.072 53 E HA -0.150 4.200 4.350 -0.001 0.000 0.190 53 E C 2.081 178.704 176.600 0.038 0.000 0.982 53 E CA 1.688 58.162 56.400 0.123 0.000 0.803 53 E CB -0.162 29.602 29.700 0.107 0.000 0.755 53 E HN 0.388 nan 8.360 nan 0.000 0.453 54 T N 0.804 115.394 114.554 0.061 0.000 2.746 54 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 54 T C 1.877 176.518 174.700 -0.098 0.000 1.039 54 T CA 1.692 63.824 62.100 0.054 0.000 1.142 54 T CB -0.234 68.758 68.868 0.207 0.000 0.866 54 T HN 0.184 nan 8.240 nan 0.000 0.444 55 M N 1.078 120.506 119.600 -0.286 0.000 2.073 55 M HA -0.168 4.312 4.480 -0.001 0.000 0.258 55 M C 2.349 178.424 176.300 -0.375 0.000 1.070 55 M CA 1.863 56.869 55.300 -0.489 0.000 1.103 55 M CB -0.598 31.774 32.600 -0.379 0.000 1.321 55 M HN 0.150 nan 8.290 nan 0.000 0.405 56 D N 0.588 120.717 120.400 -0.452 0.000 2.106 56 D HA -0.162 4.478 4.640 -0.001 0.000 0.191 56 D C 1.810 177.877 176.300 -0.389 0.000 0.997 56 D CA 1.602 55.174 54.000 -0.714 0.000 0.834 56 D CB -0.011 40.373 40.800 -0.694 0.000 0.956 56 D HN 0.264 nan 8.370 nan 0.000 0.448 57 K N 0.057 120.329 120.400 -0.214 0.000 2.057 57 K HA -0.055 4.264 4.320 -0.001 0.000 0.207 57 K C 2.232 178.780 176.600 -0.087 0.000 1.049 57 K CA 1.055 57.269 56.287 -0.121 0.000 0.931 57 K CB -0.193 32.276 32.500 -0.050 0.000 0.714 57 K HN 0.128 nan 8.250 nan 0.000 0.440 58 A N 1.596 124.385 122.820 -0.051 0.000 1.865 58 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 58 A C 2.455 180.041 177.584 0.003 0.000 1.191 58 A CA 2.152 54.221 52.037 0.054 0.000 0.623 58 A CB -0.985 18.129 19.000 0.190 0.000 0.826 58 A HN 0.232 nan 8.150 nan 0.000 0.444 59 V N -2.560 117.323 119.914 -0.052 0.000 2.548 59 V HA -0.197 3.923 4.120 -0.001 0.000 0.249 59 V C 2.270 178.320 176.094 -0.075 0.000 1.055 59 V CA 2.522 64.795 62.300 -0.045 0.000 1.065 59 V CB -0.960 30.778 31.823 -0.141 0.000 0.681 59 V HN 0.433 nan 8.190 nan 0.000 0.462 60 Q N 0.799 120.509 119.800 -0.150 0.000 2.084 60 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 60 Q C 2.489 178.428 176.000 -0.101 0.000 0.978 60 Q CA 2.333 58.052 55.803 -0.140 0.000 0.844 60 Q CB -0.580 28.057 28.738 -0.168 0.000 0.898 60 Q HN 0.717 nan 8.270 nan 0.000 0.426 61 R N -1.094 119.347 120.500 -0.099 0.000 2.096 61 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 61 R C 2.110 178.323 176.300 -0.144 0.000 1.127 61 R CA 1.323 57.357 56.100 -0.110 0.000 0.968 61 R CB -0.408 29.834 30.300 -0.098 0.000 0.861 61 R HN 0.340 nan 8.270 nan 0.000 0.440 62 F N 1.354 121.110 119.950 -0.322 0.000 2.102 62 F HA -0.160 4.367 4.527 -0.001 0.000 0.298 62 F C 2.252 177.927 175.800 -0.207 0.000 1.105 62 F CA 1.629 59.403 58.000 -0.378 0.000 1.239 62 F CB -0.088 38.587 39.000 -0.542 0.000 0.991 62 F HN -0.090 nan 8.300 nan 0.000 0.474 63 R N -0.170 120.299 120.500 -0.051 0.000 2.091 63 R HA -0.190 4.149 4.340 -0.001 0.000 0.238 63 R C 2.074 178.264 176.300 -0.184 0.000 1.136 63 R CA 1.671 57.713 56.100 -0.097 0.000 0.959 63 R CB -0.840 29.445 30.300 -0.024 0.000 0.856 63 R HN 0.271 nan 8.270 nan 0.000 0.437 64 L N 1.011 122.137 121.223 -0.162 0.000 2.051 64 L HA -0.265 4.075 4.340 -0.001 0.000 0.214 64 L C 2.438 179.193 176.870 -0.192 0.000 1.076 64 L CA 1.795 56.545 54.840 -0.150 0.000 0.758 64 L CB -0.564 41.421 42.059 -0.123 0.000 0.890 64 L HN 0.198 nan 8.230 nan 0.000 0.433 65 Q N -0.782 118.849 119.800 -0.280 0.000 2.245 65 Q HA 0.028 4.368 4.340 -0.001 0.000 0.201 65 Q C 0.415 176.199 176.000 -0.360 0.000 0.955 65 Q CA 0.745 56.361 55.803 -0.312 0.000 0.870 65 Q CB -0.006 28.514 28.738 -0.363 0.000 0.945 65 Q HN 0.624 nan 8.270 nan 0.000 0.461 66 N N 0.748 119.174 118.700 -0.457 0.000 2.644 66 N HA 0.136 4.876 4.740 -0.001 0.000 0.313 66 N C -2.137 173.250 175.510 -0.205 0.000 1.863 66 N CA -0.778 52.038 53.050 -0.390 0.000 0.918 66 N CB 1.185 39.261 38.487 -0.685 0.000 1.320 66 N HN 0.097 nan 8.380 nan 0.000 0.490 67 P HA 0.003 nan 4.420 nan 0.000 0.230 67 P C -0.018 177.247 177.300 -0.058 0.000 1.158 67 P CA 1.010 64.056 63.100 -0.090 0.000 0.769 67 P CB 0.387 32.038 31.700 -0.082 0.000 0.807 68 D N -0.731 119.634 120.400 -0.057 0.000 2.388 68 D HA 0.084 4.724 4.640 -0.001 0.000 0.221 68 D C 0.327 176.617 176.300 -0.016 0.000 1.133 68 D CA -0.187 53.793 54.000 -0.034 0.000 0.831 68 D CB -0.148 40.632 40.800 -0.033 0.000 0.962 68 D HN 0.066 nan 8.370 nan 0.000 0.502 69 L N 1.576 122.795 121.223 -0.007 0.000 2.360 69 L HA 0.128 4.468 4.340 -0.001 0.000 0.276 69 L C 0.121 177.003 176.870 0.020 0.000 1.121 69 L CA 0.380 55.238 54.840 0.030 0.000 0.845 69 L CB 0.820 42.934 42.059 0.093 0.000 1.143 69 L HN -0.049 nan 8.230 nan 0.000 0.452 70 D N 3.097 123.507 120.400 0.016 0.000 2.455 70 D HA -0.034 4.606 4.640 -0.001 0.000 0.234 70 D C 1.110 177.407 176.300 -0.005 0.000 1.224 70 D CA 0.246 54.248 54.000 0.003 0.000 0.999 70 D CB 0.780 41.581 40.800 0.002 0.000 1.072 70 D HN 0.642 nan 8.370 nan 0.000 0.514 71 S N 2.900 118.593 115.700 -0.013 0.000 2.423 71 S HA -0.112 4.358 4.470 -0.001 0.000 0.231 71 S C 1.535 176.092 174.600 -0.072 0.000 1.014 71 S CA 0.804 58.980 58.200 -0.040 0.000 0.965 71 S CB 0.200 63.378 63.200 -0.037 0.000 0.785 71 S HN 0.422 nan 8.310 nan 0.000 0.495 72 E N 1.379 121.548 120.200 -0.052 0.000 2.051 72 E HA 0.043 4.393 4.350 -0.001 0.000 0.189 72 E C 2.447 179.018 176.600 -0.049 0.000 0.979 72 E CA 1.043 57.410 56.400 -0.056 0.000 0.803 72 E CB -0.836 28.841 29.700 -0.038 0.000 0.761 72 E HN 0.544 nan 8.360 nan 0.000 0.451 73 A N 2.416 125.218 122.820 -0.031 0.000 1.892 73 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 73 A C 2.201 179.773 177.584 -0.021 0.000 1.188 73 A CA 1.334 53.360 52.037 -0.017 0.000 0.631 73 A CB -0.673 18.325 19.000 -0.005 0.000 0.822 73 A HN 0.227 nan 8.150 nan 0.000 0.447 74 L N -0.091 121.111 121.223 -0.036 0.000 1.970 74 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 74 L C 2.394 179.212 176.870 -0.086 0.000 1.071 74 L CA 2.141 56.957 54.840 -0.041 0.000 0.751 74 L CB -1.344 40.680 42.059 -0.057 0.000 0.889 74 L HN 0.460 nan 8.230 nan 0.000 0.432 75 L N -0.319 120.780 121.223 -0.206 0.000 2.083 75 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 75 L C 2.198 179.009 176.870 -0.098 0.000 1.083 75 L CA 1.764 56.398 54.840 -0.343 0.000 0.752 75 L CB -0.775 41.064 42.059 -0.367 0.000 0.899 75 L HN 0.464 nan 8.230 nan 0.000 0.433 76 T N -3.185 111.338 114.554 -0.051 0.000 3.086 76 T HA 0.225 4.575 4.350 -0.001 0.000 0.250 76 T C 0.568 175.281 174.700 0.021 0.000 1.074 76 T CA -0.309 61.788 62.100 -0.006 0.000 0.988 76 T CB -0.303 68.554 68.868 -0.019 0.000 0.988 76 T HN 0.003 nan 8.240 nan 0.000 0.530 77 L N 3.590 124.832 121.223 0.032 0.000 2.455 77 L HA 0.306 4.645 4.340 -0.001 0.000 0.272 77 L C -1.688 175.220 176.870 0.064 0.000 1.174 77 L CA -1.986 52.880 54.840 0.045 0.000 0.869 77 L CB 0.385 42.473 42.059 0.048 0.000 1.130 77 L HN 0.133 nan 8.230 nan 0.000 0.474 78 P HA -0.074 nan 4.420 nan 0.000 0.271 78 P C 0.512 177.839 177.300 0.045 0.000 1.233 78 P CA -0.477 62.653 63.100 0.050 0.000 0.789 78 P CB 0.911 32.636 31.700 0.042 0.000 0.951 79 L N 1.535 122.777 121.223 0.032 0.000 2.056 79 L HA -0.152 4.188 4.340 -0.001 0.000 0.207 79 L C 2.180 179.054 176.870 0.008 0.000 1.078 79 L CA 1.797 56.642 54.840 0.009 0.000 0.749 79 L CB -1.372 40.677 42.059 -0.016 0.000 0.901 79 L HN 0.197 nan 8.230 nan 0.000 0.433 80 L N -0.729 120.505 121.223 0.017 0.000 2.012 80 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 80 L C 2.555 179.441 176.870 0.026 0.000 1.073 80 L CA 1.825 56.678 54.840 0.022 0.000 0.748 80 L CB -1.850 40.229 42.059 0.034 0.000 0.891 80 L HN 0.467 nan 8.230 nan 0.000 0.431 81 Q N -0.662 119.156 119.800 0.030 0.000 2.046 81 Q HA -0.199 4.141 4.340 -0.001 0.000 0.200 81 Q C 2.314 178.334 176.000 0.032 0.000 0.975 81 Q CA 1.005 56.827 55.803 0.032 0.000 0.836 81 Q CB -0.261 28.497 28.738 0.034 0.000 0.896 81 Q HN 0.288 nan 8.270 nan 0.000 0.428 82 L N 0.398 121.641 121.223 0.034 0.000 2.081 82 L HA -0.178 4.161 4.340 -0.001 0.000 0.212 82 L C 2.088 178.967 176.870 0.015 0.000 1.080 82 L CA 1.459 56.319 54.840 0.033 0.000 0.754 82 L CB -0.399 41.686 42.059 0.044 0.000 0.893 82 L HN -0.008 nan 8.230 nan 0.000 0.433 83 V N -0.110 119.809 119.914 0.009 0.000 2.358 83 V HA -0.280 3.839 4.120 -0.001 0.000 0.246 83 V C 2.623 178.738 176.094 0.035 0.000 1.047 83 V CA 1.706 64.013 62.300 0.010 0.000 1.035 83 V CB -0.614 31.211 31.823 0.003 0.000 0.658 83 V HN 0.754 nan 8.190 nan 0.000 0.452 84 Q N 0.775 120.596 119.800 0.035 0.000 2.119 84 Q HA -0.193 4.147 4.340 -0.001 0.000 0.201 84 Q C 1.968 177.998 176.000 0.050 0.000 0.972 84 Q CA 1.886 57.714 55.803 0.043 0.000 0.847 84 Q CB -0.512 28.248 28.738 0.037 0.000 0.903 84 Q HN 0.463 nan 8.270 nan 0.000 0.433 85 K N -0.433 119.993 120.400 0.044 0.000 2.217 85 K HA -0.029 4.291 4.320 -0.001 0.000 0.202 85 K C 1.697 178.332 176.600 0.057 0.000 1.051 85 K CA 0.749 57.064 56.287 0.046 0.000 0.952 85 K CB 0.020 32.544 32.500 0.039 0.000 0.736 85 K HN 0.186 nan 8.250 nan 0.000 0.453 86 L N 1.174 122.429 121.223 0.053 0.000 2.044 86 L HA -0.143 4.197 4.340 -0.001 0.000 0.205 86 L C 2.491 179.477 176.870 0.192 0.000 1.075 86 L CA 1.684 56.566 54.840 0.070 0.000 0.747 86 L CB -1.037 41.000 42.059 -0.037 0.000 0.903 86 L HN 0.103 nan 8.230 nan 0.000 0.435 87 Q N -0.050 119.851 119.800 0.168 0.000 2.030 87 Q HA -0.189 4.151 4.340 -0.001 0.000 0.204 87 Q C 2.473 178.532 176.000 0.098 0.000 0.986 87 Q CA 2.322 58.215 55.803 0.151 0.000 0.843 87 Q CB -0.380 28.413 28.738 0.092 0.000 0.904 87 Q HN 0.579 nan 8.270 nan 0.000 0.420 88 S N -1.649 114.097 115.700 0.076 0.000 2.474 88 S HA 0.028 4.497 4.470 -0.001 0.000 0.235 88 S C 1.509 176.145 174.600 0.061 0.000 0.997 88 S CA 1.074 59.307 58.200 0.055 0.000 0.949 88 S CB -0.395 62.832 63.200 0.045 0.000 0.766 88 S HN 0.783 nan 8.310 nan 0.000 0.517 89 G N 0.907 109.758 108.800 0.085 0.000 2.157 89 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.248 89 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.248 89 G C 0.499 175.441 174.900 0.069 0.000 0.979 89 G CA 0.586 45.739 45.100 0.088 0.000 0.650 89 G HN 0.615 nan 8.290 nan 0.000 0.529 90 E N -0.669 119.566 120.200 0.059 0.000 2.150 90 E HA 0.124 4.474 4.350 -0.001 0.000 0.193 90 E C 1.010 177.641 176.600 0.053 0.000 0.985 90 E CA 0.532 56.962 56.400 0.049 0.000 0.814 90 E CB -0.014 29.711 29.700 0.042 0.000 0.752 90 E HN 0.592 nan 8.360 nan 0.000 0.466 91 L N 0.869 122.126 121.223 0.057 0.000 2.346 91 L HA 0.278 4.617 4.340 -0.001 0.000 0.274 91 L C -0.004 176.903 176.870 0.062 0.000 1.007 91 L CA -0.971 53.904 54.840 0.059 0.000 0.818 91 L CB 1.923 44.010 42.059 0.047 0.000 1.284 91 L HN 0.014 nan 8.230 nan 0.000 0.424 92 S N 1.384 117.129 115.700 0.077 0.000 2.617 92 S HA 0.400 4.870 4.470 -0.001 0.000 0.269 92 S C -2.076 172.537 174.600 0.021 0.000 1.292 92 S CA -1.106 57.139 58.200 0.076 0.000 1.010 92 S CB 1.391 64.663 63.200 0.120 0.000 0.944 92 S HN 0.376 nan 8.310 nan 0.000 0.536 93 P HA -0.099 nan 4.420 nan 0.000 0.213 93 P C 1.136 178.419 177.300 -0.030 0.000 1.170 93 P CA 1.385 64.399 63.100 -0.143 0.000 0.898 93 P CB -0.109 31.441 31.700 -0.251 0.000 0.787 94 E N 0.054 120.297 120.200 0.071 0.000 2.108 94 E HA -0.248 4.101 4.350 -0.001 0.000 0.203 94 E C 2.104 178.773 176.600 0.115 0.000 1.022 94 E CA 1.895 58.442 56.400 0.244 0.000 0.823 94 E CB -1.345 28.651 29.700 0.493 0.000 0.744 94 E HN 0.179 nan 8.360 nan 0.000 0.456 95 A N 0.761 123.689 122.820 0.181 0.000 1.849 95 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 95 A C 2.533 180.111 177.584 -0.010 0.000 1.202 95 A CA 2.259 54.390 52.037 0.158 0.000 0.629 95 A CB -1.267 17.847 19.000 0.191 0.000 0.834 95 A HN 0.263 nan 8.150 nan 0.000 0.447 96 V N -1.265 118.658 119.914 0.015 0.000 2.407 96 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 96 V C 2.119 178.214 176.094 0.002 0.000 1.055 96 V CA 2.541 64.863 62.300 0.037 0.000 1.049 96 V CB -0.607 31.242 31.823 0.042 0.000 0.662 96 V HN 0.546 nan 8.190 nan 0.000 0.455 97 F N 0.506 120.288 119.950 -0.280 0.000 2.039 97 F HA -0.088 4.438 4.527 -0.001 0.000 0.294 97 F C 1.970 177.451 175.800 -0.532 0.000 1.130 97 F CA 2.392 60.105 58.000 -0.478 0.000 1.189 97 F CB -0.419 38.192 39.000 -0.647 0.000 0.983 97 F HN 0.228 nan 8.300 nan 0.000 0.471 98 F N 0.872 120.464 119.950 -0.597 0.000 2.269 98 F HA -0.174 4.353 4.527 -0.001 0.000 0.301 98 F C 2.466 177.906 175.800 -0.599 0.000 1.082 98 F CA 1.654 59.175 58.000 -0.798 0.000 1.360 98 F CB -1.434 36.862 39.000 -1.172 0.000 1.041 98 F HN -0.025 nan 8.300 nan 0.000 0.512 99 T N -1.094 113.265 114.554 -0.325 0.000 2.674 99 T HA -0.235 4.115 4.350 -0.001 0.000 0.265 99 T C 1.700 176.227 174.700 -0.289 0.000 1.039 99 T CA 1.613 63.576 62.100 -0.230 0.000 1.150 99 T CB -0.699 68.051 68.868 -0.197 0.000 0.864 99 T HN 0.153 nan 8.240 nan 0.000 0.427 100 Y N 1.137 121.243 120.300 -0.323 0.000 2.165 100 Y HA -0.031 4.519 4.550 -0.001 0.000 0.286 100 Y C 2.377 178.058 175.900 -0.365 0.000 1.155 100 Y CA 0.721 58.621 58.100 -0.333 0.000 1.164 100 Y CB -0.488 37.710 38.460 -0.436 0.000 0.978 100 Y HN 0.098 nan 8.280 nan 0.000 0.513 101 L N -0.717 120.235 121.223 -0.452 0.000 2.042 101 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 101 L C 2.329 179.115 176.870 -0.139 0.000 1.076 101 L CA 1.926 56.521 54.840 -0.407 0.000 0.749 101 L CB -1.078 40.548 42.059 -0.721 0.000 0.893 101 L HN 0.426 nan 8.230 nan 0.000 0.432 102 G N -0.081 108.629 108.800 -0.150 0.000 2.480 102 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.216 102 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.216 102 G C 1.566 176.502 174.900 0.061 0.000 1.200 102 G CA 1.010 46.080 45.100 -0.051 0.000 0.782 102 G HN 0.247 nan 8.290 nan 0.000 0.554 103 K N 1.204 121.595 120.400 -0.014 0.000 2.103 103 K HA 0.055 4.374 4.320 -0.001 0.000 0.207 103 K C 2.651 179.300 176.600 0.082 0.000 1.048 103 K CA 1.611 57.901 56.287 0.006 0.000 0.930 103 K CB -0.750 31.689 32.500 -0.101 0.000 0.716 103 K HN 0.217 nan 8.250 nan 0.000 0.444 104 A N -0.021 122.878 122.820 0.133 0.000 1.851 104 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 104 A C 2.194 179.870 177.584 0.153 0.000 1.195 104 A CA 1.812 53.958 52.037 0.180 0.000 0.622 104 A CB -1.475 17.715 19.000 0.316 0.000 0.831 104 A HN 0.683 nan 8.150 nan 0.000 0.444 105 W N 0.958 122.247 121.300 -0.019 0.000 2.325 105 W HA -0.238 4.422 4.660 -0.001 0.000 0.299 105 W C 2.039 178.539 176.519 -0.032 0.000 1.215 105 W CA 2.257 59.578 57.345 -0.039 0.000 1.244 105 W CB -0.072 29.347 29.460 -0.068 0.000 1.140 105 W HN 0.537 nan 8.180 nan 0.000 0.523 106 E N -0.423 119.890 120.200 0.188 0.000 2.046 106 E HA -0.220 4.130 4.350 -0.001 0.000 0.190 106 E C 2.272 178.807 176.600 -0.108 0.000 0.982 106 E CA 2.017 58.431 56.400 0.023 0.000 0.800 106 E CB -0.671 29.113 29.700 0.140 0.000 0.756 106 E HN 0.331 nan 8.360 nan 0.000 0.449 107 V N 0.252 120.134 119.914 -0.053 0.000 2.515 107 V HA -0.206 3.913 4.120 -0.001 0.000 0.250 107 V C 1.928 177.962 176.094 -0.101 0.000 1.058 107 V CA 2.126 64.386 62.300 -0.066 0.000 1.064 107 V CB -0.705 31.101 31.823 -0.029 0.000 0.675 107 V HN 0.135 nan 8.190 nan 0.000 0.461 108 N N 0.924 119.547 118.700 -0.128 0.000 2.205 108 N HA -0.187 4.553 4.740 -0.001 0.000 0.186 108 N C 1.777 177.159 175.510 -0.215 0.000 1.015 108 N CA 1.731 54.686 53.050 -0.158 0.000 0.862 108 N CB -0.337 38.043 38.487 -0.178 0.000 0.986 108 N HN 0.585 nan 8.380 nan 0.000 0.429 109 K N -0.820 119.393 120.400 -0.312 0.000 2.044 109 K HA -0.098 4.222 4.320 -0.001 0.000 0.210 109 K C 1.942 178.439 176.600 -0.172 0.000 1.049 109 K CA 1.495 57.601 56.287 -0.301 0.000 0.927 109 K CB -0.523 31.768 32.500 -0.349 0.000 0.713 109 K HN 0.337 nan 8.250 nan 0.000 0.443 110 G N 0.406 109.126 108.800 -0.134 0.000 2.623 110 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.214 110 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.214 110 G C 1.400 176.264 174.900 -0.060 0.000 1.138 110 G CA 1.200 46.249 45.100 -0.085 0.000 0.794 110 G HN 0.456 nan 8.290 nan 0.000 0.535 111 T N -3.534 110.983 114.554 -0.063 0.000 2.954 111 T HA 0.128 4.478 4.350 -0.001 0.000 0.252 111 T C 0.900 175.584 174.700 -0.027 0.000 0.983 111 T CA 0.486 62.567 62.100 -0.032 0.000 0.941 111 T CB -0.047 68.810 68.868 -0.019 0.000 1.141 111 T HN 0.165 nan 8.240 nan 0.000 0.500 112 N N 0.893 119.563 118.700 -0.049 0.000 2.696 112 N HA -0.194 4.546 4.740 -0.001 0.000 0.256 112 N C 0.697 176.194 175.510 -0.021 0.000 1.031 112 N CA 0.667 53.696 53.050 -0.036 0.000 0.730 112 N CB -1.752 36.730 38.487 -0.010 0.000 0.894 112 N HN 0.810 nan 8.380 nan 0.000 0.544 113 C N -3.012 116.266 119.300 -0.036 0.000 2.791 113 C HA 0.452 4.911 4.460 -0.001 0.000 0.288 113 C C 0.994 175.944 174.990 -0.067 0.000 1.271 113 C CA -0.305 58.694 59.018 -0.032 0.000 1.726 113 C CB -0.696 27.034 27.740 -0.017 0.000 2.145 113 C HN 0.246 nan 8.230 nan 0.000 0.572 114 V N 3.579 123.445 119.914 -0.081 0.000 2.389 114 V HA 0.263 4.382 4.120 -0.001 0.000 0.264 114 V C 1.773 177.769 176.094 -0.163 0.000 1.049 114 V CA 1.117 63.352 62.300 -0.108 0.000 0.932 114 V CB 0.505 32.288 31.823 -0.067 0.000 1.011 114 V HN 0.706 nan 8.190 nan 0.000 0.475 115 T N 0.950 115.335 114.554 -0.282 0.000 2.937 115 T HA 0.048 4.398 4.350 -0.001 0.000 0.260 115 T C 0.810 175.290 174.700 -0.368 0.000 1.051 115 T CA 0.836 62.566 62.100 -0.616 0.000 1.141 115 T CB 0.271 68.413 68.868 -1.210 0.000 0.879 115 T HN 0.689 nan 8.240 nan 0.000 0.459 116 S N -0.679 114.924 115.700 -0.163 0.000 2.537 116 S HA 0.463 4.933 4.470 -0.001 0.000 0.271 116 S C -1.809 172.791 174.600 0.001 0.000 1.148 116 S CA -1.088 57.107 58.200 -0.008 0.000 0.868 116 S CB 1.253 64.501 63.200 0.080 0.000 1.115 116 S HN 0.450 nan 8.310 nan 0.000 0.461 117 Y N 4.767 125.041 120.300 -0.044 0.000 2.350 117 Y HA 0.565 5.115 4.550 -0.001 0.000 0.340 117 Y C -0.444 175.385 175.900 -0.117 0.000 1.006 117 Y CA -0.936 57.130 58.100 -0.057 0.000 1.166 117 Y CB 0.658 39.155 38.460 0.060 0.000 1.168 117 Y HN 0.630 nan 8.280 nan 0.000 0.502 118 L N 7.677 128.511 121.223 -0.648 0.000 2.385 118 L HA 0.109 4.449 4.340 -0.001 0.000 0.285 118 L C 0.869 177.314 176.870 -0.707 0.000 1.125 118 L CA -0.108 54.201 54.840 -0.885 0.000 0.890 118 L CB 0.369 41.644 42.059 -1.306 0.000 1.251 118 L HN 0.830 nan 8.230 nan 0.000 0.445 119 T N -1.059 113.271 114.554 -0.373 0.000 3.118 119 T HA -0.075 4.275 4.350 -0.001 0.000 0.260 119 T C 1.036 175.648 174.700 -0.146 0.000 1.139 119 T CA 0.648 62.523 62.100 -0.375 0.000 1.085 119 T CB -0.251 68.597 68.868 -0.033 0.000 0.934 119 T HN 0.667 nan 8.240 nan 0.000 0.518 120 D N 0.819 121.191 120.400 -0.047 0.000 2.427 120 D HA 0.023 4.662 4.640 -0.001 0.000 0.224 120 D C 1.620 177.904 176.300 -0.027 0.000 1.157 120 D CA -0.374 53.633 54.000 0.013 0.000 0.828 120 D CB -1.310 39.536 40.800 0.078 0.000 0.974 120 D HN 0.540 nan 8.370 nan 0.000 0.498 121 C N -1.778 117.461 119.300 -0.103 0.000 2.539 121 C HA 0.258 4.718 4.460 -0.001 0.000 0.268 121 C C 1.977 176.778 174.990 -0.316 0.000 1.395 121 C CA -0.400 58.518 59.018 -0.167 0.000 1.757 121 C CB -0.757 26.896 27.740 -0.145 0.000 1.851 121 C HN 0.199 nan 8.230 nan 0.000 0.545 122 E N 1.414 121.497 120.200 -0.195 0.000 2.216 122 E HA -0.084 4.265 4.350 -0.001 0.000 0.192 122 E C 2.040 178.574 176.600 -0.111 0.000 0.988 122 E CA 1.522 57.814 56.400 -0.179 0.000 0.834 122 E CB -0.042 29.687 29.700 0.048 0.000 0.772 122 E HN 0.676 nan 8.360 nan 0.000 0.479 123 T N 0.890 115.403 114.554 -0.068 0.000 2.732 123 T HA -0.189 4.161 4.350 -0.001 0.000 0.261 123 T C 1.862 176.521 174.700 -0.068 0.000 1.040 123 T CA 1.365 63.438 62.100 -0.044 0.000 1.145 123 T CB -0.194 68.662 68.868 -0.020 0.000 0.866 123 T HN 0.054 nan 8.240 nan 0.000 0.427 124 Q N 1.110 120.856 119.800 -0.089 0.000 2.135 124 Q HA -0.032 4.308 4.340 -0.001 0.000 0.204 124 Q C 2.088 178.006 176.000 -0.137 0.000 0.981 124 Q CA 1.311 57.056 55.803 -0.096 0.000 0.856 124 Q CB -0.900 27.787 28.738 -0.085 0.000 0.902 124 Q HN 0.499 nan 8.270 nan 0.000 0.425 125 L N -0.026 121.054 121.223 -0.239 0.000 1.963 125 L HA -0.272 4.067 4.340 -0.001 0.000 0.220 125 L C 2.268 179.060 176.870 -0.130 0.000 1.076 125 L CA 2.344 57.002 54.840 -0.303 0.000 0.772 125 L CB -0.730 41.043 42.059 -0.477 0.000 0.892 125 L HN 0.539 nan 8.230 nan 0.000 0.435 126 S N -1.896 113.760 115.700 -0.073 0.000 2.461 126 S HA -0.194 4.276 4.470 -0.001 0.000 0.228 126 S C 1.644 176.254 174.600 0.016 0.000 1.005 126 S CA 0.605 58.804 58.200 -0.002 0.000 0.942 126 S CB -0.063 63.143 63.200 0.010 0.000 0.776 126 S HN 0.416 nan 8.310 nan 0.000 0.514 127 Q N 1.356 121.152 119.800 -0.008 0.000 2.320 127 Q HA 0.506 4.846 4.340 -0.001 0.000 0.201 127 Q C 0.328 176.335 176.000 0.011 0.000 0.910 127 Q CA 0.064 55.865 55.803 -0.004 0.000 0.946 127 Q CB 0.021 28.746 28.738 -0.022 0.000 1.062 127 Q HN 0.662 nan 8.270 nan 0.000 0.503 128 A N 1.947 124.799 122.820 0.053 0.000 2.438 128 A HA 0.310 4.630 4.320 -0.001 0.000 0.280 128 A C -2.202 175.471 177.584 0.148 0.000 1.160 128 A CA -1.201 50.901 52.037 0.107 0.000 0.821 128 A CB -0.267 18.813 19.000 0.133 0.000 1.101 128 A HN 0.152 nan 8.150 nan 0.000 0.515 129 P HA -0.063 nan 4.420 nan 0.000 0.255 129 P C 0.898 178.123 177.300 -0.125 0.000 1.161 129 P CA 0.165 63.249 63.100 -0.028 0.000 0.768 129 P CB 0.356 32.045 31.700 -0.019 0.000 0.746 130 R N 3.572 123.873 120.500 -0.332 0.000 2.115 130 R HA -0.103 4.236 4.340 -0.001 0.000 0.226 130 R C 1.418 177.450 176.300 -0.447 0.000 1.100 130 R CA 1.649 57.287 56.100 -0.770 0.000 0.980 130 R CB 0.045 29.994 30.300 -0.584 0.000 0.875 130 R HN 0.579 nan 8.270 nan 0.000 0.445 131 Q N -0.569 119.105 119.800 -0.210 0.000 2.435 131 Q HA 0.061 4.400 4.340 -0.001 0.000 0.207 131 Q C 0.703 176.676 176.000 -0.046 0.000 0.956 131 Q CA 0.365 56.105 55.803 -0.106 0.000 0.917 131 Q CB 0.090 28.789 28.738 -0.065 0.000 0.997 131 Q HN 0.216 nan 8.270 nan 0.000 0.497 132 G N 0.571 109.357 108.800 -0.024 0.000 2.414 132 G HA2 0.036 3.996 3.960 -0.001 0.000 0.236 132 G HA3 0.036 3.996 3.960 -0.001 0.000 0.236 132 G C 0.434 175.366 174.900 0.053 0.000 1.293 132 G CA -0.467 44.652 45.100 0.033 0.000 0.869 132 G HN 0.101 nan 8.290 nan 0.000 0.556 133 L N 1.569 122.808 121.223 0.027 0.000 2.551 133 L HA 0.148 4.487 4.340 -0.001 0.000 0.228 133 L C 2.059 178.937 176.870 0.012 0.000 1.153 133 L CA 0.874 55.723 54.840 0.014 0.000 0.851 133 L CB -0.738 41.310 42.059 -0.018 0.000 0.959 133 L HN 0.506 nan 8.230 nan 0.000 0.451 134 L N -2.248 118.988 121.223 0.022 0.000 3.168 134 L HA 0.167 4.506 4.340 -0.001 0.000 0.277 134 L C 0.094 176.975 176.870 0.019 0.000 1.245 134 L CA -0.510 54.328 54.840 -0.004 0.000 1.035 134 L CB -0.089 41.946 42.059 -0.040 0.000 1.399 134 L HN 0.032 nan 8.230 nan 0.000 0.580 135 Y N 1.586 121.857 120.300 -0.048 0.000 2.815 135 Y HA 0.140 4.689 4.550 -0.001 0.000 0.346 135 Y C 1.397 177.268 175.900 -0.048 0.000 1.267 135 Y CA 1.239 59.311 58.100 -0.047 0.000 1.604 135 Y CB 0.234 38.674 38.460 -0.033 0.000 1.218 135 Y HN 0.354 nan 8.280 nan 0.000 0.527 136 G N 3.298 111.741 108.800 -0.595 0.000 2.234 136 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.235 136 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.235 136 G C -0.312 174.410 174.900 -0.296 0.000 0.997 136 G CA -0.081 44.674 45.100 -0.575 0.000 0.623 136 G HN 0.705 nan 8.290 nan 0.000 0.514 137 V N 3.399 123.186 119.914 -0.211 0.000 2.470 137 V HA 0.411 4.530 4.120 -0.001 0.000 0.276 137 V C -1.670 174.322 176.094 -0.170 0.000 1.040 137 V CA -1.087 61.102 62.300 -0.184 0.000 1.008 137 V CB 1.219 32.958 31.823 -0.139 0.000 0.990 137 V HN 0.180 nan 8.190 nan 0.000 0.477 138 P HA 0.245 nan 4.420 nan 0.000 0.276 138 P C -0.711 176.598 177.300 0.014 0.000 1.243 138 P CA -0.018 62.982 63.100 -0.167 0.000 0.768 138 P CB 0.860 32.208 31.700 -0.587 0.000 0.856 139 V N 3.421 123.452 119.914 0.195 0.000 2.513 139 V HA 0.387 4.506 4.120 -0.001 0.000 0.299 139 V C 0.377 176.509 176.094 0.064 0.000 1.035 139 V CA -0.460 61.903 62.300 0.105 0.000 0.889 139 V CB 1.850 33.654 31.823 -0.031 0.000 0.988 139 V HN 0.606 nan 8.190 nan 0.000 0.440 140 S N 5.609 121.256 115.700 -0.088 0.000 2.585 140 S HA 0.808 5.278 4.470 -0.001 0.000 0.277 140 S C -0.781 173.682 174.600 -0.229 0.000 1.241 140 S CA -0.717 57.277 58.200 -0.343 0.000 1.041 140 S CB 1.219 64.233 63.200 -0.310 0.000 0.987 140 S HN 0.506 nan 8.310 nan 0.000 0.512 141 L N 1.978 123.072 121.223 -0.216 0.000 2.356 141 L HA 0.504 4.844 4.340 -0.001 0.000 0.277 141 L C 0.203 177.145 176.870 0.119 0.000 0.996 141 L CA -0.862 53.922 54.840 -0.094 0.000 0.822 141 L CB 1.894 43.922 42.059 -0.051 0.000 1.256 141 L HN 0.777 nan 8.230 nan 0.000 0.413 142 K N 2.081 122.616 120.400 0.225 0.000 2.494 142 K HA -0.094 4.225 4.320 -0.001 0.000 0.273 142 K C 1.025 177.753 176.600 0.213 0.000 0.970 142 K CA 0.230 56.666 56.287 0.248 0.000 0.963 142 K CB 0.650 33.348 32.500 0.329 0.000 0.913 142 K HN 0.648 nan 8.250 nan 0.000 0.502 143 E N 2.078 122.250 120.200 -0.048 0.000 2.338 143 E HA -0.151 4.198 4.350 -0.001 0.000 0.197 143 E C 1.153 177.519 176.600 -0.390 0.000 1.007 143 E CA 1.071 57.221 56.400 -0.417 0.000 0.849 143 E CB -0.070 29.468 29.700 -0.271 0.000 0.774 143 E HN 0.730 nan 8.360 nan 0.000 0.506 144 C N -0.508 118.693 119.300 -0.166 0.000 2.673 144 C HA 0.312 4.772 4.460 -0.001 0.000 0.274 144 C C 0.616 175.469 174.990 -0.228 0.000 1.276 144 C CA -0.904 57.999 59.018 -0.191 0.000 1.701 144 C CB -1.867 25.742 27.740 -0.219 0.000 1.836 144 C HN -0.010 nan 8.230 nan 0.000 0.596 145 F N 2.580 122.550 119.950 0.033 0.000 2.375 145 F HA 0.342 4.869 4.527 -0.000 0.000 0.362 145 F C 1.090 177.034 175.800 0.241 0.000 1.129 145 F CA 0.008 58.087 58.000 0.133 0.000 1.154 145 F CB 0.490 39.581 39.000 0.151 0.000 1.205 145 F HN 0.018 nan 8.300 nan 0.000 0.513 146 S N 3.482 119.362 115.700 0.301 0.000 2.593 146 S HA -0.047 4.423 4.470 -0.001 0.000 0.300 146 S C -0.844 173.955 174.600 0.332 0.000 1.267 146 S CA 0.335 58.700 58.200 0.276 0.000 1.065 146 S CB -0.113 63.184 63.200 0.162 0.000 0.807 146 S HN 0.504 nan 8.310 nan 0.000 0.499 147 Y N 2.635 123.063 120.300 0.212 0.000 2.386 147 Y HA 0.301 4.851 4.550 -0.001 0.000 0.334 147 Y C -0.003 175.987 175.900 0.150 0.000 1.002 147 Y CA -0.926 57.241 58.100 0.112 0.000 1.068 147 Y CB 0.958 39.374 38.460 -0.074 0.000 1.203 147 Y HN 0.553 nan 8.280 nan 0.000 0.443 148 K N 3.901 124.205 120.400 -0.162 0.000 2.404 148 K HA 0.110 4.430 4.320 -0.001 0.000 0.271 148 K C 0.908 177.632 176.600 0.206 0.000 1.130 148 K CA 1.823 58.101 56.287 -0.016 0.000 1.181 148 K CB -0.609 31.803 32.500 -0.147 0.000 0.840 148 K HN 1.112 nan 8.250 nan 0.000 0.483 149 G N 3.139 112.033 108.800 0.157 0.000 2.141 149 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.231 149 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.231 149 G C -0.367 174.497 174.900 -0.060 0.000 0.984 149 G CA -0.210 44.924 45.100 0.056 0.000 0.660 149 G HN 0.769 nan 8.290 nan 0.000 0.525 150 H N 0.217 119.393 119.070 0.177 0.000 2.690 150 H HA 0.381 4.937 4.556 -0.001 0.000 0.368 150 H C -0.791 174.657 175.328 0.200 0.000 1.150 150 H CA -0.835 55.329 56.048 0.193 0.000 1.174 150 H CB 1.704 31.602 29.762 0.226 0.000 1.684 150 H HN 0.143 nan 8.280 nan 0.000 0.538 151 D N 0.770 121.342 120.400 0.288 0.000 2.399 151 D HA 0.058 4.698 4.640 -0.001 0.000 0.241 151 D C -0.151 176.264 176.300 0.192 0.000 1.133 151 D CA 0.310 54.438 54.000 0.213 0.000 0.890 151 D CB 0.812 41.730 40.800 0.198 0.000 1.201 151 D HN 0.260 nan 8.370 nan 0.000 0.432 152 S N 0.348 116.115 115.700 0.112 0.000 2.457 152 S HA 0.118 4.588 4.470 -0.001 0.000 0.216 152 S C 1.425 176.050 174.600 0.041 0.000 1.392 152 S CA -0.600 57.608 58.200 0.014 0.000 1.102 152 S CB 0.464 63.666 63.200 0.005 0.000 1.114 152 S HN 0.506 nan 8.310 nan 0.000 0.484 153 T N 0.336 114.943 114.554 0.088 0.000 2.857 153 T HA 0.011 4.361 4.350 -0.001 0.000 0.266 153 T C 1.071 175.793 174.700 0.037 0.000 1.048 153 T CA 0.388 62.539 62.100 0.086 0.000 1.139 153 T CB -0.693 68.269 68.868 0.157 0.000 0.874 153 T HN 0.587 nan 8.240 nan 0.000 0.455 154 L N 0.615 121.869 121.223 0.051 0.000 4.001 154 L HA -0.229 4.111 4.340 -0.001 0.000 0.413 154 L C 1.530 178.426 176.870 0.042 0.000 1.185 154 L CA 0.259 55.119 54.840 0.033 0.000 0.963 154 L CB -2.625 39.428 42.059 -0.010 0.000 1.976 154 L HN 0.693 nan 8.230 nan 0.000 0.939 155 G N -1.783 107.067 108.800 0.082 0.000 2.220 155 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.269 155 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.269 155 G C 0.284 175.151 174.900 -0.055 0.000 0.977 155 G CA 0.436 45.553 45.100 0.027 0.000 0.634 155 G HN 0.196 nan 8.290 nan 0.000 0.539 156 L N 1.431 122.593 121.223 -0.101 0.000 2.349 156 L HA 0.454 4.794 4.340 -0.001 0.000 0.275 156 L C 1.937 178.739 176.870 -0.114 0.000 1.115 156 L CA 1.109 55.843 54.840 -0.176 0.000 0.820 156 L CB 0.879 42.780 42.059 -0.264 0.000 1.135 156 L HN 0.279 nan 8.230 nan 0.000 0.445 157 S N 4.101 119.738 115.700 -0.105 0.000 2.370 157 S HA -0.177 4.293 4.470 -0.001 0.000 0.226 157 S C 1.694 176.253 174.600 -0.069 0.000 1.033 157 S CA 1.713 59.868 58.200 -0.074 0.000 1.011 157 S CB -0.227 62.933 63.200 -0.066 0.000 0.852 157 S HN 0.639 nan 8.310 nan 0.000 0.457 158 L N -0.330 120.840 121.223 -0.089 0.000 2.551 158 L HA 0.220 4.559 4.340 -0.001 0.000 0.228 158 L C 0.996 177.842 176.870 -0.040 0.000 1.153 158 L CA 1.168 55.968 54.840 -0.066 0.000 0.851 158 L CB -0.453 41.558 42.059 -0.080 0.000 0.959 158 L HN 0.138 nan 8.230 nan 0.000 0.451 159 N N 0.094 118.772 118.700 -0.037 0.000 2.236 159 N HA 0.057 4.797 4.740 -0.001 0.000 0.196 159 N C 0.038 175.560 175.510 0.021 0.000 1.114 159 N CA 0.153 53.202 53.050 -0.003 0.000 0.859 159 N CB 0.177 38.663 38.487 -0.002 0.000 0.982 159 N HN 0.450 nan 8.380 nan 0.000 0.493 160 E N 0.515 120.719 120.200 0.008 0.000 2.283 160 E HA 0.322 4.672 4.350 -0.001 0.000 0.278 160 E C 0.340 176.955 176.600 0.026 0.000 1.027 160 E CA -0.138 56.276 56.400 0.024 0.000 0.843 160 E CB 0.750 30.446 29.700 -0.008 0.000 1.062 160 E HN 0.358 nan 8.360 nan 0.000 0.401 161 G N 4.862 113.688 108.800 0.043 0.000 2.256 161 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.272 161 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.272 161 G C 0.145 175.063 174.900 0.032 0.000 1.076 161 G CA 0.426 45.547 45.100 0.034 0.000 0.882 161 G HN 0.396 nan 8.290 nan 0.000 0.497 162 M N 0.394 120.021 119.600 0.044 0.000 3.432 162 M HA 0.175 4.655 4.480 -0.001 0.000 0.390 162 M C -2.733 173.604 176.300 0.062 0.000 1.811 162 M CA -1.057 54.268 55.300 0.042 0.000 0.536 162 M CB 1.520 34.142 32.600 0.036 0.000 1.681 162 M HN 0.086 nan 8.290 nan 0.000 0.462 163 P HA 0.054 nan 4.420 nan 0.000 0.268 163 P C 0.252 177.606 177.300 0.090 0.000 1.205 163 P CA 0.321 63.472 63.100 0.085 0.000 0.771 163 P CB 0.808 32.537 31.700 0.049 0.000 0.858 164 S N 1.045 116.825 115.700 0.134 0.000 2.549 164 S HA -0.050 4.420 4.470 -0.001 0.000 0.286 164 S C 1.307 175.954 174.600 0.078 0.000 1.314 164 S CA -0.158 58.112 58.200 0.116 0.000 1.062 164 S CB -0.061 63.239 63.200 0.165 0.000 0.865 164 S HN 0.559 nan 8.310 nan 0.000 0.498 165 E N 2.372 122.600 120.200 0.047 0.000 2.358 165 E HA 0.030 4.380 4.350 -0.001 0.000 0.195 165 E C 0.124 176.726 176.600 0.004 0.000 1.010 165 E CA 0.558 56.971 56.400 0.023 0.000 0.856 165 E CB 0.179 29.887 29.700 0.014 0.000 0.795 165 E HN 0.718 nan 8.360 nan 0.000 0.504 166 S N -0.599 115.101 115.700 0.000 0.000 2.595 166 S HA 0.213 4.683 4.470 -0.001 0.000 0.270 166 S C -1.297 173.271 174.600 -0.054 0.000 1.145 166 S CA -1.263 56.912 58.200 -0.042 0.000 0.825 166 S CB 1.019 64.199 63.200 -0.034 0.000 1.107 166 S HN -0.055 nan 8.310 nan 0.000 0.461 167 D N 1.384 121.700 120.400 -0.139 0.000 2.419 167 D HA 0.305 4.944 4.640 -0.001 0.000 0.236 167 D C 1.138 177.428 176.300 -0.017 0.000 1.165 167 D CA -0.091 53.822 54.000 -0.144 0.000 0.882 167 D CB 0.220 40.873 40.800 -0.244 0.000 1.201 167 D HN 0.914 nan 8.370 nan 0.000 0.443 168 C N -0.389 118.949 119.300 0.062 0.000 2.553 168 C HA 0.254 4.714 4.460 -0.001 0.000 0.345 168 C C 2.148 177.184 174.990 0.076 0.000 1.369 168 C CA -0.879 58.198 59.018 0.098 0.000 2.447 168 C CB -0.055 27.796 27.740 0.184 0.000 2.358 168 C HN 0.465 nan 8.230 nan 0.000 0.676 169 V N 1.180 121.146 119.914 0.086 0.000 2.343 169 V HA -0.157 3.963 4.120 -0.001 0.000 0.247 169 V C 2.534 178.663 176.094 0.058 0.000 1.051 169 V CA 2.191 64.529 62.300 0.063 0.000 1.036 169 V CB -0.751 31.118 31.823 0.077 0.000 0.654 169 V HN 0.886 nan 8.190 nan 0.000 0.451 170 V N -0.409 119.566 119.914 0.100 0.000 2.407 170 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 170 V C 2.390 178.489 176.094 0.008 0.000 1.055 170 V CA 1.856 64.197 62.300 0.068 0.000 1.049 170 V CB -0.137 31.766 31.823 0.134 0.000 0.662 170 V HN 0.414 nan 8.190 nan 0.000 0.455 171 V N -0.688 119.244 119.914 0.031 0.000 2.427 171 V HA -0.309 3.811 4.120 -0.001 0.000 0.248 171 V C 2.389 178.460 176.094 -0.040 0.000 1.051 171 V CA 1.949 64.248 62.300 -0.002 0.000 1.048 171 V CB -0.640 31.214 31.823 0.052 0.000 0.666 171 V HN 0.582 nan 8.190 nan 0.000 0.456 172 Q N -0.385 119.388 119.800 -0.045 0.000 2.096 172 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 172 Q C 2.402 178.343 176.000 -0.099 0.000 0.982 172 Q CA 2.210 57.966 55.803 -0.078 0.000 0.850 172 Q CB -0.336 28.364 28.738 -0.063 0.000 0.901 172 Q HN 0.731 nan 8.270 nan 0.000 0.422 173 V N -1.486 118.386 119.914 -0.071 0.000 2.323 173 V HA -0.192 3.927 4.120 -0.001 0.000 0.244 173 V C 2.009 178.055 176.094 -0.082 0.000 1.041 173 V CA 1.195 63.446 62.300 -0.082 0.000 1.025 173 V CB -0.728 31.070 31.823 -0.042 0.000 0.656 173 V HN 0.313 nan 8.190 nan 0.000 0.451 174 L N -0.022 121.160 121.223 -0.068 0.000 2.010 174 L HA -0.295 4.045 4.340 -0.001 0.000 0.219 174 L C 2.985 179.816 176.870 -0.064 0.000 1.077 174 L CA 2.813 57.613 54.840 -0.067 0.000 0.773 174 L CB -0.703 41.312 42.059 -0.072 0.000 0.892 174 L HN 0.349 nan 8.230 nan 0.000 0.436 175 K N -0.284 120.075 120.400 -0.069 0.000 2.063 175 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 175 K C 2.044 178.589 176.600 -0.091 0.000 1.048 175 K CA 1.234 57.478 56.287 -0.071 0.000 0.928 175 K CB -0.187 32.266 32.500 -0.079 0.000 0.713 175 K HN 0.260 nan 8.250 nan 0.000 0.442 176 L N 0.347 121.483 121.223 -0.146 0.000 2.275 176 L HA -0.156 4.184 4.340 -0.001 0.000 0.215 176 L C 2.049 178.854 176.870 -0.109 0.000 1.119 176 L CA 0.754 55.462 54.840 -0.220 0.000 0.790 176 L CB -0.014 41.722 42.059 -0.538 0.000 0.919 176 L HN 0.162 nan 8.230 nan 0.000 0.443 177 Q N -0.476 119.288 119.800 -0.059 0.000 2.320 177 Q HA 0.121 4.461 4.340 -0.001 0.000 0.201 177 Q C 1.229 177.237 176.000 0.014 0.000 0.910 177 Q CA 0.683 56.480 55.803 -0.009 0.000 0.946 177 Q CB 0.482 29.207 28.738 -0.021 0.000 1.062 177 Q HN 0.386 nan 8.270 nan 0.000 0.503 178 G N -1.202 107.609 108.800 0.018 0.000 2.232 178 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.226 178 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.226 178 G C 0.389 175.295 174.900 0.009 0.000 0.996 178 G CA -0.031 45.119 45.100 0.084 0.000 0.626 178 G HN 0.682 nan 8.290 nan 0.000 0.509 179 A N -0.291 122.511 122.820 -0.031 0.000 2.492 179 A HA 0.561 4.880 4.320 -0.001 0.000 0.236 179 A C 0.488 178.030 177.584 -0.069 0.000 1.078 179 A CA 1.023 53.022 52.037 -0.063 0.000 0.773 179 A CB 0.692 19.657 19.000 -0.058 0.000 1.023 179 A HN 1.226 nan 8.150 nan 0.000 0.504 180 V N 3.634 123.505 119.914 -0.071 0.000 2.327 180 V HA 0.272 4.392 4.120 -0.001 0.000 0.272 180 V C -2.503 173.641 176.094 0.082 0.000 1.019 180 V CA -1.347 60.916 62.300 -0.061 0.000 0.814 180 V CB 1.069 32.774 31.823 -0.197 0.000 1.040 180 V HN 0.733 nan 8.190 nan 0.000 0.440 181 P HA 0.196 nan 4.420 nan 0.000 0.271 181 P C -0.007 177.312 177.300 0.031 0.000 1.226 181 P CA 0.127 63.252 63.100 0.042 0.000 0.765 181 P CB 0.311 32.012 31.700 0.002 0.000 0.835 182 F N 2.682 122.534 119.950 -0.163 0.000 2.880 182 F HA 0.368 4.895 4.527 -0.000 0.000 0.346 182 F C -0.407 175.320 175.800 -0.123 0.000 1.054 182 F CA -0.505 57.440 58.000 -0.092 0.000 1.151 182 F CB 0.075 39.189 39.000 0.190 0.000 1.066 182 F HN 0.099 nan 8.300 nan 0.000 0.566 183 V N -1.417 117.988 119.914 -0.848 0.000 3.049 183 V HA 0.552 4.672 4.120 -0.001 0.000 0.309 183 V C -1.371 174.440 176.094 -0.472 0.000 1.148 183 V CA -0.946 60.991 62.300 -0.605 0.000 0.990 183 V CB 1.449 32.905 31.823 -0.612 0.000 1.039 183 V HN 0.291 nan 8.190 nan 0.000 0.430 184 H N 1.681 120.537 119.070 -0.357 0.000 2.489 184 H HA 0.704 5.260 4.556 -0.001 0.000 0.322 184 H C 0.115 175.306 175.328 -0.229 0.000 1.091 184 H CA 0.092 55.986 56.048 -0.257 0.000 1.291 184 H CB 1.758 31.385 29.762 -0.225 0.000 1.436 184 H HN 1.052 nan 8.280 nan 0.000 0.480 185 T N 1.062 115.597 114.554 -0.031 0.000 2.888 185 T HA 0.187 4.537 4.350 -0.001 0.000 0.284 185 T C 0.272 174.934 174.700 -0.063 0.000 1.017 185 T CA -1.179 60.878 62.100 -0.073 0.000 1.022 185 T CB 1.541 70.374 68.868 -0.057 0.000 1.013 185 T HN 0.448 nan 8.240 nan 0.000 0.465 186 N N 0.617 119.279 118.700 -0.064 0.000 2.344 186 N HA 0.356 5.095 4.740 -0.001 0.000 0.236 186 N C -0.368 175.157 175.510 0.025 0.000 1.279 186 N CA 0.061 53.097 53.050 -0.022 0.000 0.882 186 N CB 0.473 38.968 38.487 0.014 0.000 1.110 186 N HN 0.850 nan 8.380 nan 0.000 0.436 187 V N -0.571 119.378 119.914 0.059 0.000 3.049 187 V HA 0.738 4.858 4.120 -0.001 0.000 0.309 187 V C -2.701 173.447 176.094 0.091 0.000 1.148 187 V CA -1.995 60.344 62.300 0.066 0.000 0.990 187 V CB 2.019 33.874 31.823 0.053 0.000 1.039 187 V HN 0.605 nan 8.190 nan 0.000 0.430 188 P HA 0.133 nan 4.420 nan 0.000 0.272 188 P C -0.647 176.735 177.300 0.137 0.000 1.230 188 P CA -0.114 63.048 63.100 0.104 0.000 0.788 188 P CB 0.564 32.319 31.700 0.093 0.000 0.949 189 Q N 1.307 121.201 119.800 0.156 0.000 2.239 189 Q HA 0.060 4.400 4.340 -0.001 0.000 0.286 189 Q C 0.631 176.776 176.000 0.241 0.000 1.102 189 Q CA 1.230 57.135 55.803 0.169 0.000 0.936 189 Q CB -0.328 28.540 28.738 0.218 0.000 1.127 189 Q HN 0.723 nan 8.270 nan 0.000 0.380 190 S N 3.216 118.990 115.700 0.123 0.000 2.596 190 S HA -0.311 4.159 4.470 -0.001 0.000 0.260 190 S C 0.622 175.386 174.600 0.274 0.000 1.282 190 S CA 1.271 59.565 58.200 0.156 0.000 1.357 190 S CB -1.684 61.704 63.200 0.314 0.000 1.674 190 S HN 0.994 nan 8.310 nan 0.000 0.641 191 M N -2.519 117.217 119.600 0.226 0.000 2.939 191 M HA -0.212 4.268 4.480 -0.001 0.000 0.194 191 M C 0.070 176.510 176.300 0.233 0.000 0.617 191 M CA 1.530 56.941 55.300 0.184 0.000 0.734 191 M CB -2.129 30.542 32.600 0.118 0.000 2.637 191 M HN 0.553 nan 8.290 nan 0.000 0.316 192 F N 1.657 121.747 119.950 0.232 0.000 2.753 192 F HA 0.521 5.047 4.527 -0.000 0.000 0.314 192 F C 0.439 176.339 175.800 0.167 0.000 1.215 192 F CA 0.394 58.518 58.000 0.207 0.000 1.243 192 F CB 0.616 39.767 39.000 0.252 0.000 1.400 192 F HN 0.078 nan 8.300 nan 0.000 0.548 193 S N 0.910 116.662 115.700 0.086 0.000 2.543 193 S HA 0.228 4.698 4.470 -0.001 0.000 0.274 193 S C -0.598 173.995 174.600 -0.012 0.000 1.149 193 S CA -0.615 57.603 58.200 0.030 0.000 0.866 193 S CB 0.502 63.733 63.200 0.051 0.000 1.111 193 S HN 0.361 nan 8.310 nan 0.000 0.457 194 Y N 1.538 121.698 120.300 -0.234 0.000 2.645 194 Y HA 0.572 5.122 4.550 -0.001 0.000 0.307 194 Y C 0.199 175.962 175.900 -0.228 0.000 1.151 194 Y CA -0.671 57.222 58.100 -0.346 0.000 1.291 194 Y CB -0.121 37.786 38.460 -0.921 0.000 1.135 194 Y HN 0.550 nan 8.280 nan 0.000 0.523 195 D N -0.048 120.202 120.400 -0.250 0.000 2.589 195 D HA 0.359 4.999 4.640 -0.001 0.000 0.268 195 D C -0.895 175.390 176.300 -0.025 0.000 1.182 195 D CA -0.914 53.010 54.000 -0.126 0.000 1.087 195 D CB 2.015 42.725 40.800 -0.151 0.000 1.186 195 D HN 0.182 nan 8.370 nan 0.000 0.620 196 C N 1.218 120.521 119.300 0.006 0.000 3.432 196 C HA 0.601 5.061 4.460 -0.001 0.000 0.242 196 C C -0.992 174.025 174.990 0.045 0.000 1.152 196 C CA -0.261 58.780 59.018 0.038 0.000 1.242 196 C CB -1.424 26.345 27.740 0.049 0.000 1.802 196 C HN 0.370 nan 8.230 nan 0.000 0.577 197 S N 3.168 118.898 115.700 0.050 0.000 2.546 197 S HA 0.898 5.367 4.470 -0.001 0.000 0.274 197 S C -1.029 173.615 174.600 0.073 0.000 1.121 197 S CA -0.364 57.868 58.200 0.054 0.000 0.887 197 S CB 1.386 64.602 63.200 0.027 0.000 1.094 197 S HN 0.947 nan 8.310 nan 0.000 0.474 198 N N 1.741 120.483 118.700 0.070 0.000 2.708 198 N HA 0.542 5.281 4.740 -0.001 0.000 0.257 198 N C -2.923 172.590 175.510 0.005 0.000 1.373 198 N CA -1.424 51.662 53.050 0.061 0.000 0.843 198 N CB 1.115 39.652 38.487 0.083 0.000 1.503 198 N HN 0.202 nan 8.380 nan 0.000 0.504 199 P HA 0.028 nan 4.420 nan 0.000 0.233 199 P C 0.639 177.862 177.300 -0.129 0.000 1.167 199 P CA 0.390 63.446 63.100 -0.074 0.000 0.770 199 P CB 0.255 31.967 31.700 0.020 0.000 0.837 200 L N -1.714 119.386 121.223 -0.205 0.000 2.056 200 L HA 0.096 4.435 4.340 -0.001 0.000 0.202 200 L C 2.032 178.591 176.870 -0.517 0.000 1.086 200 L CA 1.824 56.373 54.840 -0.485 0.000 0.758 200 L CB -1.862 39.695 42.059 -0.837 0.000 0.912 200 L HN -0.068 nan 8.230 nan 0.000 0.446 201 F N -0.837 119.121 119.950 0.013 0.000 2.749 201 F HA 0.442 4.969 4.527 -0.001 0.000 0.300 201 F C 1.612 177.410 175.800 -0.003 0.000 1.103 201 F CA 0.322 58.327 58.000 0.009 0.000 1.342 201 F CB -0.226 38.783 39.000 0.015 0.000 1.098 201 F HN 0.262 nan 8.300 nan 0.000 0.586 202 G N 0.972 109.829 108.800 0.096 0.000 2.525 202 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.248 202 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.248 202 G C -0.524 174.417 174.900 0.069 0.000 1.238 202 G CA -0.225 44.904 45.100 0.050 0.000 0.926 202 G HN 0.384 nan 8.290 nan 0.000 0.574 203 Q N -0.053 119.773 119.800 0.042 0.000 2.316 203 Q HA 0.648 4.987 4.340 -0.001 0.000 0.264 203 Q C -0.327 175.692 176.000 0.031 0.000 0.987 203 Q CA -0.324 55.499 55.803 0.033 0.000 0.852 203 Q CB 1.367 30.113 28.738 0.012 0.000 1.287 203 Q HN 0.672 nan 8.270 nan 0.000 0.448 204 T N 4.265 118.841 114.554 0.036 0.000 2.909 204 T HA 0.551 4.901 4.350 -0.001 0.000 0.286 204 T C -0.280 174.441 174.700 0.035 0.000 1.002 204 T CA -0.316 61.803 62.100 0.033 0.000 1.074 204 T CB 0.715 69.606 68.868 0.039 0.000 0.984 204 T HN 0.599 nan 8.240 nan 0.000 0.495 205 M N 2.323 121.944 119.600 0.035 0.000 2.530 205 M HA 0.367 4.847 4.480 -0.001 0.000 0.307 205 M C 0.024 176.365 176.300 0.069 0.000 1.161 205 M CA -0.944 54.382 55.300 0.043 0.000 0.903 205 M CB 1.746 34.360 32.600 0.022 0.000 1.711 205 M HN 0.420 nan 8.290 nan 0.000 0.451 206 N N 3.473 122.230 118.700 0.096 0.000 2.468 206 N HA 0.098 4.838 4.740 -0.001 0.000 0.265 206 N C -1.848 173.753 175.510 0.152 0.000 1.199 206 N CA -0.911 52.233 53.050 0.156 0.000 0.928 206 N CB 1.114 39.698 38.487 0.162 0.000 1.059 206 N HN 0.376 nan 8.380 nan 0.000 0.467 207 P HA -0.068 nan 4.420 nan 0.000 0.225 207 P C 0.577 177.865 177.300 -0.019 0.000 1.148 207 P CA 1.115 64.228 63.100 0.023 0.000 0.779 207 P CB -0.007 31.657 31.700 -0.061 0.000 0.780 208 W N 0.814 122.117 121.300 0.006 0.000 2.737 208 W HA 0.226 4.886 4.660 -0.001 0.000 0.262 208 W C 0.957 177.469 176.519 -0.012 0.000 1.282 208 W CA 0.277 57.621 57.345 -0.002 0.000 1.386 208 W CB 0.255 29.714 29.460 -0.002 0.000 1.099 208 W HN -0.114 nan 8.180 nan 0.000 0.621 209 K N 0.083 120.612 120.400 0.215 0.000 2.610 209 K HA 0.077 4.397 4.320 -0.001 0.000 0.274 209 K C 0.620 177.262 176.600 0.069 0.000 1.049 209 K CA 0.238 56.591 56.287 0.110 0.000 0.945 209 K CB 0.850 33.404 32.500 0.089 0.000 1.313 209 K HN -0.136 nan 8.250 nan 0.000 0.463 210 S N 1.191 116.915 115.700 0.040 0.000 2.515 210 S HA -0.130 4.340 4.470 -0.001 0.000 0.231 210 S C 1.531 176.139 174.600 0.013 0.000 0.987 210 S CA 1.229 59.443 58.200 0.023 0.000 0.936 210 S CB -0.100 63.104 63.200 0.007 0.000 0.766 210 S HN 0.638 nan 8.310 nan 0.000 0.528 211 S N 0.816 116.521 115.700 0.008 0.000 2.481 211 S HA 0.139 4.609 4.470 -0.001 0.000 0.231 211 S C 0.724 175.317 174.600 -0.012 0.000 0.996 211 S CA -0.097 58.100 58.200 -0.006 0.000 0.942 211 S CB -0.204 62.988 63.200 -0.012 0.000 0.768 211 S HN 0.308 nan 8.310 nan 0.000 0.520 212 K N 1.564 121.962 120.400 -0.003 0.000 2.139 212 K HA 0.458 4.778 4.320 -0.001 0.000 0.243 212 K C -0.228 176.381 176.600 0.016 0.000 0.983 212 K CA -0.436 55.839 56.287 -0.019 0.000 0.890 212 K CB 1.410 33.886 32.500 -0.041 0.000 1.090 212 K HN 0.185 nan 8.250 nan 0.000 0.445 213 S N 1.533 117.245 115.700 0.019 0.000 2.565 213 S HA 0.227 4.696 4.470 -0.001 0.000 0.274 213 S C -1.659 173.072 174.600 0.218 0.000 1.309 213 S CA -1.483 56.777 58.200 0.101 0.000 1.043 213 S CB 0.570 63.839 63.200 0.114 0.000 0.939 213 S HN 0.291 nan 8.310 nan 0.000 0.504 214 P HA 0.217 nan 4.420 nan 0.000 0.245 214 P C 0.805 178.293 177.300 0.313 0.000 1.212 214 P CA 0.759 64.010 63.100 0.251 0.000 0.774 214 P CB -0.642 31.151 31.700 0.155 0.000 0.999 215 G N -1.000 108.001 108.800 0.336 0.000 2.728 215 G HA2 0.257 4.217 3.960 -0.001 0.000 0.294 215 G HA3 0.257 4.217 3.960 -0.001 0.000 0.294 215 G C -0.334 174.577 174.900 0.020 0.000 1.342 215 G CA -0.647 44.472 45.100 0.031 0.000 0.866 215 G HN 0.605 nan 8.290 nan 0.000 0.534 216 G N -2.556 106.243 108.800 -0.001 0.000 2.441 216 G HA2 0.718 4.677 3.960 -0.001 0.000 0.294 216 G HA3 0.718 4.677 3.960 -0.001 0.000 0.294 216 G C 0.842 175.803 174.900 0.101 0.000 1.393 216 G CA 0.870 45.999 45.100 0.049 0.000 0.796 216 G HN 2.136 nan 8.290 nan 0.000 0.494 217 S N -1.000 114.745 115.700 0.075 0.000 2.515 217 S HA 0.034 4.503 4.470 -0.001 0.000 0.231 217 S C 1.383 176.017 174.600 0.057 0.000 0.987 217 S CA 1.227 59.461 58.200 0.056 0.000 0.936 217 S CB 0.060 63.290 63.200 0.050 0.000 0.766 217 S HN 0.585 nan 8.310 nan 0.000 0.528 218 S N 1.826 117.563 115.700 0.062 0.000 2.930 218 S HA 0.335 4.805 4.470 -0.001 0.000 0.257 218 S C 1.586 176.224 174.600 0.062 0.000 1.208 218 S CA 0.027 58.266 58.200 0.065 0.000 1.233 218 S CB -0.295 62.949 63.200 0.073 0.000 0.900 218 S HN 0.694 nan 8.310 nan 0.000 0.472 219 G N 2.161 110.997 108.800 0.060 0.000 2.402 219 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.216 219 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.216 219 G C 1.419 176.354 174.900 0.060 0.000 1.162 219 G CA 0.564 45.704 45.100 0.067 0.000 0.777 219 G HN 0.587 nan 8.290 nan 0.000 0.539 220 G N 0.870 109.695 108.800 0.041 0.000 2.491 220 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.218 220 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.218 220 G C 1.647 176.559 174.900 0.020 0.000 1.180 220 G CA 1.276 46.388 45.100 0.019 0.000 0.774 220 G HN 0.358 nan 8.290 nan 0.000 0.562 221 E N 0.646 120.862 120.200 0.028 0.000 2.085 221 E HA -0.108 4.242 4.350 -0.001 0.000 0.194 221 E C 2.778 179.407 176.600 0.049 0.000 0.994 221 E CA 1.180 57.596 56.400 0.027 0.000 0.801 221 E CB -1.010 28.712 29.700 0.037 0.000 0.743 221 E HN 0.370 nan 8.360 nan 0.000 0.453 222 G N 1.055 109.896 108.800 0.069 0.000 2.421 222 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 222 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 222 G C 1.746 176.713 174.900 0.111 0.000 1.171 222 G CA 1.458 46.617 45.100 0.098 0.000 0.775 222 G HN 0.411 nan 8.290 nan 0.000 0.543 223 A N 0.054 122.931 122.820 0.095 0.000 1.930 223 A HA 0.166 4.486 4.320 -0.001 0.000 0.217 223 A C 2.336 179.954 177.584 0.058 0.000 1.175 223 A CA 1.583 53.672 52.037 0.087 0.000 0.627 223 A CB -0.371 18.669 19.000 0.066 0.000 0.815 223 A HN 0.393 nan 8.150 nan 0.000 0.443 224 L N -0.090 121.160 121.223 0.045 0.000 2.007 224 L HA -0.029 4.311 4.340 -0.001 0.000 0.205 224 L C 2.246 179.156 176.870 0.067 0.000 1.073 224 L CA 1.805 56.671 54.840 0.043 0.000 0.744 224 L CB -0.535 41.538 42.059 0.023 0.000 0.898 224 L HN 0.385 nan 8.230 nan 0.000 0.435 225 I N -0.123 120.488 120.570 0.069 0.000 2.248 225 I HA -0.258 3.911 4.170 -0.001 0.000 0.248 225 I C 2.391 178.558 176.117 0.084 0.000 1.107 225 I CA 1.533 62.881 61.300 0.080 0.000 1.373 225 I CB -0.992 37.047 38.000 0.066 0.000 1.055 225 I HN 0.445 nan 8.210 nan 0.000 0.418 226 G N -0.289 108.567 108.800 0.092 0.000 2.443 226 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.219 226 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.219 226 G C 1.459 176.364 174.900 0.009 0.000 1.131 226 G CA 0.908 46.076 45.100 0.114 0.000 0.775 226 G HN 0.520 nan 8.290 nan 0.000 0.547 227 S N -0.946 114.745 115.700 -0.015 0.000 2.582 227 S HA 0.446 4.916 4.470 -0.001 0.000 0.234 227 S C 1.523 176.099 174.600 -0.039 0.000 0.961 227 S CA 0.673 58.824 58.200 -0.082 0.000 0.953 227 S CB 0.367 63.518 63.200 -0.082 0.000 0.800 227 S HN 1.360 nan 8.310 nan 0.000 0.471 228 G N 0.727 109.538 108.800 0.017 0.000 2.157 228 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.248 228 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.248 228 G C 0.799 175.776 174.900 0.129 0.000 0.979 228 G CA -0.094 45.039 45.100 0.054 0.000 0.650 228 G HN 0.944 nan 8.290 nan 0.000 0.529 229 G N -0.691 108.192 108.800 0.138 0.000 2.920 229 G HA2 0.464 4.423 3.960 -0.001 0.000 0.208 229 G HA3 0.464 4.423 3.960 -0.001 0.000 0.208 229 G C 0.395 175.506 174.900 0.351 0.000 1.159 229 G CA 1.507 46.730 45.100 0.206 0.000 0.784 229 G HN 1.570 nan 8.290 nan 0.000 0.535 230 S N -0.696 115.187 115.700 0.305 0.000 2.556 230 S HA 0.511 4.981 4.470 -0.001 0.000 0.280 230 S C -2.677 171.949 174.600 0.043 0.000 1.141 230 S CA -0.747 57.562 58.200 0.182 0.000 0.883 230 S CB 2.285 65.599 63.200 0.190 0.000 1.103 230 S HN -0.097 nan 8.310 nan 0.000 0.453 231 P HA 0.383 nan 4.420 nan 0.000 0.267 231 P C -0.397 176.857 177.300 -0.077 0.000 1.289 231 P CA 0.035 63.061 63.100 -0.123 0.000 0.866 231 P CB 0.132 31.651 31.700 -0.302 0.000 1.309 232 L N -1.410 119.773 121.223 -0.067 0.000 2.700 232 L HA 0.735 5.075 4.340 -0.001 0.000 0.255 232 L C -1.265 175.576 176.870 -0.048 0.000 0.933 232 L CA -0.287 54.521 54.840 -0.054 0.000 0.920 232 L CB 1.393 43.406 42.059 -0.077 0.000 1.472 232 L HN 0.040 nan 8.230 nan 0.000 0.426 233 G N 2.279 111.046 108.800 -0.054 0.000 2.721 233 G HA2 0.715 4.674 3.960 -0.001 0.000 0.296 233 G HA3 0.715 4.674 3.960 -0.001 0.000 0.296 233 G C -2.542 172.301 174.900 -0.095 0.000 1.383 233 G CA -0.651 44.400 45.100 -0.081 0.000 0.788 233 G HN 0.569 nan 8.290 nan 0.000 0.500 234 L N -0.039 121.105 121.223 -0.131 0.000 2.464 234 L HA 0.855 5.195 4.340 -0.001 0.000 0.266 234 L C 0.475 177.400 176.870 0.091 0.000 0.965 234 L CA -0.206 54.548 54.840 -0.143 0.000 0.833 234 L CB 1.697 43.434 42.059 -0.536 0.000 1.296 234 L HN 1.093 nan 8.230 nan 0.000 0.405 235 G N 0.174 109.116 108.800 0.237 0.000 2.798 235 G HA2 0.741 4.701 3.960 -0.001 0.000 0.286 235 G HA3 0.741 4.701 3.960 -0.001 0.000 0.286 235 G C -1.116 173.943 174.900 0.265 0.000 1.389 235 G CA -0.082 45.200 45.100 0.303 0.000 0.894 235 G HN 0.600 nan 8.290 nan 0.000 0.488 236 T N -1.984 112.643 114.554 0.122 0.000 2.924 236 T HA 0.686 5.036 4.350 -0.001 0.000 0.291 236 T C -1.695 173.017 174.700 0.020 0.000 1.045 236 T CA -0.678 61.447 62.100 0.041 0.000 1.015 236 T CB 2.562 71.391 68.868 -0.064 0.000 1.103 236 T HN 0.479 nan 8.240 nan 0.000 0.496 237 D N 1.375 121.776 120.400 0.002 0.000 2.470 237 D HA 0.271 4.911 4.640 -0.001 0.000 0.233 237 D C -0.238 176.043 176.300 -0.030 0.000 1.372 237 D CA -0.498 53.491 54.000 -0.019 0.000 0.994 237 D CB 1.654 42.441 40.800 -0.021 0.000 1.377 237 D HN 0.629 nan 8.370 nan 0.000 0.586 238 I N 1.749 122.290 120.570 -0.048 0.000 4.187 238 I HA 0.307 4.477 4.170 -0.001 0.000 0.326 238 I C 0.940 177.017 176.117 -0.066 0.000 1.302 238 I CA 0.197 61.468 61.300 -0.048 0.000 1.196 238 I CB 0.806 38.787 38.000 -0.031 0.000 1.095 238 I HN 0.452 nan 8.210 nan 0.000 0.411 239 G N -0.455 108.290 108.800 -0.092 0.000 4.765 239 G HA2 0.403 4.362 3.960 -0.001 0.000 0.276 239 G HA3 0.403 4.362 3.960 -0.001 0.000 0.276 239 G C 0.673 175.513 174.900 -0.100 0.000 0.986 239 G CA 0.374 45.426 45.100 -0.081 0.000 0.755 239 G HN 0.401 nan 8.290 nan 0.000 0.391 240 G N -0.208 108.490 108.800 -0.170 0.000 2.198 240 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.156 240 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.156 240 G C 1.128 175.882 174.900 -0.243 0.000 1.012 240 G CA 0.497 45.324 45.100 -0.455 0.000 0.692 240 G HN 0.412 nan 8.290 nan 0.000 0.492 241 S N -0.200 115.486 115.700 -0.023 0.000 2.515 241 S HA 0.211 4.680 4.470 -0.001 0.000 0.231 241 S C 2.100 176.719 174.600 0.032 0.000 0.987 241 S CA 0.991 59.233 58.200 0.070 0.000 0.936 241 S CB 0.012 63.236 63.200 0.040 0.000 0.766 241 S HN 0.523 nan 8.310 nan 0.000 0.528 242 I N 0.561 121.122 120.570 -0.016 0.000 2.731 242 I HA 0.028 4.198 4.170 -0.001 0.000 0.260 242 I C 2.399 178.493 176.117 -0.039 0.000 1.138 242 I CA 0.613 61.910 61.300 -0.004 0.000 1.461 242 I CB 0.045 38.046 38.000 0.003 0.000 1.128 242 I HN 0.102 nan 8.210 nan 0.000 0.438 243 R N -0.182 120.246 120.500 -0.121 0.000 2.093 243 R HA -0.014 4.326 4.340 -0.001 0.000 0.224 243 R C 2.191 178.385 176.300 -0.177 0.000 1.101 243 R CA 1.066 57.069 56.100 -0.162 0.000 0.979 243 R CB -0.310 29.849 30.300 -0.235 0.000 0.877 243 R HN 0.094 nan 8.270 nan 0.000 0.441 244 F N 1.628 121.447 119.950 -0.219 0.000 2.043 244 F HA -0.154 4.373 4.527 -0.001 0.000 0.297 244 F C -0.534 174.950 175.800 -0.526 0.000 1.121 244 F CA 1.245 58.958 58.000 -0.477 0.000 1.199 244 F CB -1.529 37.160 39.000 -0.519 0.000 0.968 244 F HN 0.038 nan 8.300 nan 0.000 0.478 245 P HA -0.039 nan 4.420 nan 0.000 0.222 245 P C 1.660 179.012 177.300 0.087 0.000 1.153 245 P CA 1.403 64.508 63.100 0.009 0.000 0.798 245 P CB 0.001 31.732 31.700 0.051 0.000 0.796 246 S N 0.465 116.197 115.700 0.054 0.000 2.359 246 S HA -0.124 4.346 4.470 -0.001 0.000 0.224 246 S C 2.200 176.861 174.600 0.102 0.000 1.035 246 S CA 1.633 59.875 58.200 0.070 0.000 1.018 246 S CB -0.965 62.253 63.200 0.030 0.000 0.876 246 S HN 0.204 nan 8.310 nan 0.000 0.448 247 A N 1.116 123.997 122.820 0.102 0.000 1.873 247 A HA -0.001 4.318 4.320 -0.001 0.000 0.215 247 A C 1.837 179.590 177.584 0.282 0.000 1.186 247 A CA 1.269 53.402 52.037 0.160 0.000 0.616 247 A CB -0.888 18.218 19.000 0.177 0.000 0.823 247 A HN 0.436 nan 8.150 nan 0.000 0.442 248 F N -0.092 119.892 119.950 0.057 0.000 2.161 248 F HA -0.174 4.352 4.527 -0.001 0.000 0.300 248 F C 2.286 178.086 175.800 0.000 0.000 1.089 248 F CA 0.389 58.406 58.000 0.030 0.000 1.282 248 F CB -1.129 37.924 39.000 0.089 0.000 1.010 248 F HN 0.234 nan 8.300 nan 0.000 0.485 249 C N -0.640 118.828 119.300 0.280 0.000 2.855 249 C HA 0.538 4.998 4.460 -0.001 0.000 0.279 249 C C 1.762 176.976 174.990 0.374 0.000 1.270 249 C CA 0.233 59.444 59.018 0.323 0.000 1.702 249 C CB -0.808 27.113 27.740 0.302 0.000 1.949 249 C HN 0.735 nan 8.230 nan 0.000 0.618 250 G N 1.968 110.872 108.800 0.174 0.000 2.147 250 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.244 250 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.244 250 G C -0.060 174.955 174.900 0.191 0.000 1.005 250 G CA 0.669 45.863 45.100 0.158 0.000 0.713 250 G HN 0.746 nan 8.290 nan 0.000 0.515 251 I N -3.530 117.131 120.570 0.151 0.000 3.436 251 I HA 0.857 5.027 4.170 -0.001 0.000 0.300 251 I C 0.414 176.572 176.117 0.069 0.000 1.131 251 I CA -1.637 59.732 61.300 0.114 0.000 1.001 251 I CB 1.718 39.788 38.000 0.116 0.000 1.305 251 I HN 0.036 nan 8.210 nan 0.000 0.494 252 C N 0.995 120.325 119.300 0.050 0.000 2.397 252 C HA 0.942 5.401 4.460 -0.001 0.000 0.343 252 C C 0.467 175.469 174.990 0.020 0.000 1.188 252 C CA -0.147 58.887 59.018 0.026 0.000 1.992 252 C CB 0.544 28.296 27.740 0.019 0.000 2.358 252 C HN 1.009 nan 8.230 nan 0.000 0.518 253 G N 0.957 109.761 108.800 0.007 0.000 2.733 253 G HA2 0.614 4.574 3.960 -0.001 0.000 0.297 253 G HA3 0.614 4.574 3.960 -0.001 0.000 0.297 253 G C -2.116 172.782 174.900 -0.003 0.000 1.422 253 G CA -0.304 44.798 45.100 0.004 0.000 0.942 253 G HN 0.627 nan 8.290 nan 0.000 0.510 254 L N 0.625 121.851 121.223 0.004 0.000 2.362 254 L HA 0.715 5.055 4.340 -0.001 0.000 0.275 254 L C -0.226 176.650 176.870 0.011 0.000 0.998 254 L CA -1.065 53.780 54.840 0.009 0.000 0.820 254 L CB 1.900 43.972 42.059 0.021 0.000 1.270 254 L HN 0.463 nan 8.230 nan 0.000 0.415 255 K N 6.958 127.361 120.400 0.005 0.000 2.299 255 K HA 0.501 4.821 4.320 -0.001 0.000 0.268 255 K C -2.569 174.037 176.600 0.011 0.000 1.075 255 K CA -1.713 54.579 56.287 0.009 0.000 0.936 255 K CB 1.032 33.530 32.500 -0.004 0.000 1.228 255 K HN 0.401 nan 8.250 nan 0.000 0.454 256 P HA 0.057 nan 4.420 nan 0.000 0.274 256 P C -0.652 176.616 177.300 -0.053 0.000 1.256 256 P CA -0.326 62.775 63.100 0.002 0.000 0.795 256 P CB 0.325 32.048 31.700 0.038 0.000 1.038 257 T N 0.339 114.803 114.554 -0.151 0.000 2.946 257 T HA 0.061 4.411 4.350 -0.001 0.000 0.312 257 T C 1.927 176.496 174.700 -0.218 0.000 1.066 257 T CA 0.733 62.647 62.100 -0.311 0.000 1.138 257 T CB -0.092 68.298 68.868 -0.797 0.000 1.014 257 T HN 0.592 nan 8.240 nan 0.000 0.544 258 G N 1.733 110.428 108.800 -0.174 0.000 2.440 258 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.218 258 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.218 258 G C 1.283 176.185 174.900 0.003 0.000 1.154 258 G CA 0.530 45.595 45.100 -0.058 0.000 0.767 258 G HN 0.681 nan 8.290 nan 0.000 0.552 259 N N -0.604 118.098 118.700 0.004 0.000 2.279 259 N HA 0.118 4.857 4.740 -0.001 0.000 0.226 259 N C 1.699 177.404 175.510 0.324 0.000 1.126 259 N CA -0.207 52.950 53.050 0.179 0.000 0.846 259 N CB 0.043 38.686 38.487 0.260 0.000 1.050 259 N HN 0.183 nan 8.380 nan 0.000 0.502 260 R N -0.388 120.255 120.500 0.239 0.000 2.073 260 R HA 0.217 4.557 4.340 -0.001 0.000 0.229 260 R C 0.057 176.532 176.300 0.291 0.000 1.120 260 R CA 1.178 57.495 56.100 0.362 0.000 0.967 260 R CB 0.075 30.528 30.300 0.255 0.000 0.862 260 R HN 0.195 nan 8.270 nan 0.000 0.436 261 L N -0.642 120.706 121.223 0.208 0.000 2.313 261 L HA 0.383 4.722 4.340 -0.001 0.000 0.268 261 L C -0.183 176.792 176.870 0.176 0.000 1.010 261 L CA -1.087 53.868 54.840 0.192 0.000 0.814 261 L CB 1.764 43.915 42.059 0.152 0.000 1.304 261 L HN -0.042 nan 8.230 nan 0.000 0.441 262 S N 0.132 115.933 115.700 0.168 0.000 2.474 262 S HA 0.190 4.660 4.470 -0.001 0.000 0.276 262 S C 0.405 175.089 174.600 0.140 0.000 1.227 262 S CA -0.482 57.808 58.200 0.150 0.000 1.050 262 S CB 0.393 63.678 63.200 0.141 0.000 0.939 262 S HN 0.594 nan 8.310 nan 0.000 0.490 263 K N 2.999 123.469 120.400 0.117 0.000 2.469 263 K HA 0.154 4.474 4.320 -0.001 0.000 0.201 263 K C 0.344 176.999 176.600 0.092 0.000 1.028 263 K CA -0.131 56.213 56.287 0.094 0.000 1.170 263 K CB 0.268 32.812 32.500 0.074 0.000 0.874 263 K HN 0.430 nan 8.250 nan 0.000 0.507 264 S N 0.366 116.125 115.700 0.098 0.000 2.533 264 S HA 0.239 4.709 4.470 -0.001 0.000 0.282 264 S C 1.195 175.848 174.600 0.087 0.000 1.304 264 S CA 0.724 58.975 58.200 0.085 0.000 1.063 264 S CB 0.482 63.728 63.200 0.078 0.000 0.881 264 S HN 0.696 nan 8.310 nan 0.000 0.493 265 G N 3.127 111.972 108.800 0.076 0.000 2.162 265 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.260 265 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.260 265 G C -0.200 174.750 174.900 0.083 0.000 0.976 265 G CA 0.101 45.248 45.100 0.079 0.000 0.655 265 G HN 0.592 nan 8.290 nan 0.000 0.533 266 L N 0.226 121.484 121.223 0.059 0.000 2.349 266 L HA 0.626 4.965 4.340 -0.001 0.000 0.275 266 L C 0.576 177.465 176.870 0.031 0.000 1.115 266 L CA -0.609 54.213 54.840 -0.029 0.000 0.820 266 L CB 1.406 43.385 42.059 -0.134 0.000 1.135 266 L HN 0.166 nan 8.230 nan 0.000 0.445 267 K N 1.557 121.951 120.400 -0.009 0.000 2.234 267 K HA 0.681 5.000 4.320 -0.001 0.000 0.282 267 K C -0.118 176.464 176.600 -0.029 0.000 1.039 267 K CA 0.032 56.348 56.287 0.050 0.000 0.928 267 K CB 0.950 33.469 32.500 0.031 0.000 1.039 267 K HN 0.699 nan 8.250 nan 0.000 0.470 268 G N 1.399 110.157 108.800 -0.070 0.000 2.866 268 G HA2 0.274 4.234 3.960 -0.001 0.000 0.289 268 G HA3 0.274 4.234 3.960 -0.001 0.000 0.289 268 G C -0.017 174.677 174.900 -0.345 0.000 1.396 268 G CA -0.686 44.266 45.100 -0.248 0.000 0.848 268 G HN 0.682 nan 8.290 nan 0.000 0.515 269 C N -0.710 118.436 119.300 -0.257 0.000 2.551 269 C HA 0.407 4.867 4.460 -0.001 0.000 0.277 269 C C 1.038 175.913 174.990 -0.192 0.000 1.349 269 C CA 0.555 59.477 59.018 -0.159 0.000 1.750 269 C CB -0.692 27.057 27.740 0.016 0.000 2.058 269 C HN 0.643 nan 8.230 nan 0.000 0.518 270 V N -2.006 117.729 119.914 -0.298 0.000 2.680 270 V HA 0.740 4.859 4.120 -0.001 0.000 0.309 270 V C -1.542 174.311 176.094 -0.403 0.000 1.052 270 V CA -0.687 61.492 62.300 -0.202 0.000 0.908 270 V CB 1.282 33.059 31.823 -0.077 0.000 1.001 270 V HN 0.302 nan 8.190 nan 0.000 0.431 271 Y N 1.849 122.166 120.300 0.028 0.000 2.442 271 Y HA 0.782 5.331 4.550 -0.001 0.000 0.344 271 Y C 0.927 176.841 175.900 0.023 0.000 0.976 271 Y CA 0.021 58.136 58.100 0.023 0.000 1.040 271 Y CB 2.498 40.971 38.460 0.021 0.000 1.228 271 Y HN 1.251 nan 8.280 nan 0.000 0.451 272 G N 1.713 110.619 108.800 0.176 0.000 2.131 272 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.223 272 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.223 272 G C -0.372 174.573 174.900 0.075 0.000 0.990 272 G CA -0.364 44.806 45.100 0.116 0.000 0.671 272 G HN 0.473 nan 8.290 nan 0.000 0.521 273 Q N 1.067 120.896 119.800 0.048 0.000 2.368 273 Q HA 0.579 4.919 4.340 -0.001 0.000 0.256 273 Q C 1.082 177.094 176.000 0.021 0.000 0.980 273 Q CA 0.434 56.247 55.803 0.017 0.000 0.887 273 Q CB 1.066 29.786 28.738 -0.031 0.000 1.221 273 Q HN 0.595 nan 8.270 nan 0.000 0.458 274 T N -0.209 114.364 114.554 0.033 0.000 3.040 274 T HA 0.294 4.644 4.350 -0.001 0.000 0.266 274 T C 1.363 176.081 174.700 0.030 0.000 1.005 274 T CA 0.518 62.640 62.100 0.038 0.000 0.906 274 T CB 0.397 69.297 68.868 0.054 0.000 1.082 274 T HN 0.367 nan 8.240 nan 0.000 0.531 275 A N 1.815 124.648 122.820 0.022 0.000 1.865 275 A HA 0.253 4.572 4.320 -0.001 0.000 0.217 275 A C 1.101 178.682 177.584 -0.005 0.000 1.191 275 A CA 1.276 53.321 52.037 0.013 0.000 0.623 275 A CB -0.794 18.206 19.000 0.002 0.000 0.826 275 A HN 0.492 nan 8.150 nan 0.000 0.444 276 V N 1.543 121.446 119.914 -0.019 0.000 2.347 276 V HA 0.220 4.340 4.120 -0.001 0.000 0.280 276 V C -0.243 175.843 176.094 -0.013 0.000 1.021 276 V CA -0.725 61.561 62.300 -0.023 0.000 0.847 276 V CB 1.159 32.960 31.823 -0.037 0.000 0.990 276 V HN 0.496 nan 8.190 nan 0.000 0.444 277 Q N 2.601 122.396 119.800 -0.007 0.000 2.352 277 Q HA 0.332 4.672 4.340 -0.001 0.000 0.260 277 Q C -0.421 175.576 176.000 -0.006 0.000 0.976 277 Q CA -0.555 55.248 55.803 -0.000 0.000 0.881 277 Q CB 2.005 30.742 28.738 -0.002 0.000 1.235 277 Q HN 0.625 nan 8.270 nan 0.000 0.419 278 L N 1.433 122.656 121.223 -0.000 0.000 2.397 278 L HA 0.225 4.565 4.340 -0.001 0.000 0.271 278 L C -0.396 176.477 176.870 0.005 0.000 1.148 278 L CA 0.595 55.432 54.840 -0.005 0.000 0.825 278 L CB 1.402 43.455 42.059 -0.011 0.000 1.117 278 L HN 0.490 nan 8.230 nan 0.000 0.456 279 S N 4.482 120.185 115.700 0.004 0.000 2.526 279 S HA 0.782 5.252 4.470 -0.001 0.000 0.293 279 S C -1.090 173.533 174.600 0.039 0.000 1.092 279 S CA -0.788 57.423 58.200 0.018 0.000 0.980 279 S CB 1.108 64.309 63.200 0.003 0.000 1.048 279 S HN 0.703 nan 8.310 nan 0.000 0.483 280 L N 2.501 123.768 121.223 0.075 0.000 2.362 280 L HA 1.117 5.456 4.340 -0.001 0.000 0.271 280 L C -0.104 176.842 176.870 0.126 0.000 1.002 280 L CA -0.136 54.785 54.840 0.135 0.000 0.818 280 L CB 1.566 43.750 42.059 0.209 0.000 1.298 280 L HN 0.745 nan 8.230 nan 0.000 0.420 281 G N 1.520 110.395 108.800 0.126 0.000 2.608 281 G HA2 0.677 4.637 3.960 -0.001 0.000 0.291 281 G HA3 0.677 4.637 3.960 -0.001 0.000 0.291 281 G C -3.371 171.558 174.900 0.048 0.000 1.425 281 G CA -1.046 44.097 45.100 0.073 0.000 0.787 281 G HN 0.582 nan 8.290 nan 0.000 0.484 282 P HA 0.497 nan 4.420 nan 0.000 0.282 282 P C -0.926 176.373 177.300 -0.002 0.000 1.249 282 P CA -0.314 62.778 63.100 -0.014 0.000 0.806 282 P CB 1.579 33.258 31.700 -0.037 0.000 0.984 283 M N 1.974 121.571 119.600 -0.005 0.000 2.259 283 M HA 0.676 5.155 4.480 -0.001 0.000 0.304 283 M C -0.425 175.876 176.300 0.003 0.000 1.019 283 M CA -0.302 55.003 55.300 0.009 0.000 0.922 283 M CB 2.441 35.055 32.600 0.023 0.000 1.600 283 M HN 0.473 nan 8.290 nan 0.000 0.433 284 A N 2.391 125.218 122.820 0.012 0.000 2.568 284 A HA 0.673 4.993 4.320 -0.001 0.000 0.291 284 A C -0.136 177.468 177.584 0.034 0.000 1.159 284 A CA -0.706 51.338 52.037 0.013 0.000 0.679 284 A CB 1.420 20.417 19.000 -0.005 0.000 1.285 284 A HN 0.888 nan 8.150 nan 0.000 0.428 285 R N -0.434 120.089 120.500 0.039 0.000 2.240 285 R HA 0.113 4.453 4.340 -0.001 0.000 0.203 285 R C -0.659 175.672 176.300 0.052 0.000 1.011 285 R CA 1.562 57.696 56.100 0.057 0.000 1.007 285 R CB 0.021 30.359 30.300 0.064 0.000 0.911 285 R HN 0.863 nan 8.270 nan 0.000 0.468 286 D N -3.684 116.740 120.400 0.040 0.000 2.626 286 D HA 0.069 4.709 4.640 -0.001 0.000 0.278 286 D C 0.403 176.725 176.300 0.037 0.000 1.211 286 D CA -0.782 53.243 54.000 0.040 0.000 0.903 286 D CB 0.836 41.663 40.800 0.045 0.000 1.408 286 D HN -0.335 nan 8.370 nan 0.000 0.454 287 V N -0.301 119.643 119.914 0.050 0.000 2.427 287 V HA -0.134 3.985 4.120 -0.001 0.000 0.248 287 V C 2.169 178.311 176.094 0.081 0.000 1.051 287 V CA 2.068 64.408 62.300 0.067 0.000 1.048 287 V CB -0.661 31.219 31.823 0.096 0.000 0.666 287 V HN 0.706 nan 8.190 nan 0.000 0.456 288 E N 0.359 120.621 120.200 0.103 0.000 2.150 288 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 288 E C 2.300 178.906 176.600 0.010 0.000 0.985 288 E CA 1.461 57.931 56.400 0.117 0.000 0.814 288 E CB -0.245 29.533 29.700 0.131 0.000 0.752 288 E HN 0.533 nan 8.360 nan 0.000 0.466 289 S N 0.039 115.739 115.700 0.000 0.000 2.382 289 S HA -0.080 4.390 4.470 -0.001 0.000 0.228 289 S C 1.810 176.367 174.600 -0.073 0.000 1.027 289 S CA 0.978 59.157 58.200 -0.035 0.000 0.991 289 S CB -0.245 62.944 63.200 -0.018 0.000 0.823 289 S HN 0.294 nan 8.310 nan 0.000 0.469 290 L N 1.026 122.213 121.223 -0.059 0.000 2.083 290 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 290 L C 2.789 179.558 176.870 -0.168 0.000 1.083 290 L CA 1.202 55.994 54.840 -0.080 0.000 0.752 290 L CB -0.839 41.199 42.059 -0.035 0.000 0.899 290 L HN 0.323 nan 8.230 nan 0.000 0.433 291 A N 0.332 123.007 122.820 -0.242 0.000 1.855 291 A HA -0.211 4.108 4.320 -0.001 0.000 0.215 291 A C 2.215 179.440 177.584 -0.599 0.000 1.191 291 A CA 1.529 53.267 52.037 -0.499 0.000 0.613 291 A CB -0.714 17.831 19.000 -0.758 0.000 0.829 291 A HN 0.300 nan 8.150 nan 0.000 0.442 292 L N -0.062 120.949 121.223 -0.355 0.000 2.012 292 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 292 L C 2.576 179.274 176.870 -0.288 0.000 1.073 292 L CA 2.333 56.997 54.840 -0.293 0.000 0.748 292 L CB -1.165 40.805 42.059 -0.149 0.000 0.891 292 L HN 0.535 nan 8.230 nan 0.000 0.431 293 C N -0.783 118.384 119.300 -0.222 0.000 2.413 293 C HA -0.185 4.275 4.460 -0.001 0.000 0.276 293 C C 2.805 177.675 174.990 -0.200 0.000 1.248 293 C CA 1.133 60.047 59.018 -0.173 0.000 1.742 293 C CB -1.123 26.543 27.740 -0.125 0.000 2.017 293 C HN 0.620 nan 8.230 nan 0.000 0.481 294 L N 0.537 121.598 121.223 -0.270 0.000 2.046 294 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 294 L C 2.767 179.442 176.870 -0.326 0.000 1.077 294 L CA 2.189 56.888 54.840 -0.235 0.000 0.747 294 L CB -0.723 41.242 42.059 -0.158 0.000 0.896 294 L HN 0.461 nan 8.230 nan 0.000 0.432 295 K N 0.073 120.065 120.400 -0.680 0.000 2.057 295 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 295 K C 2.040 178.516 176.600 -0.207 0.000 1.049 295 K CA 1.342 57.330 56.287 -0.498 0.000 0.931 295 K CB -0.069 32.060 32.500 -0.617 0.000 0.714 295 K HN 0.267 nan 8.250 nan 0.000 0.440 296 A N 1.170 123.871 122.820 -0.198 0.000 1.877 296 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 296 A C 2.018 179.539 177.584 -0.105 0.000 1.186 296 A CA 1.196 53.162 52.037 -0.119 0.000 0.620 296 A CB -0.566 18.371 19.000 -0.105 0.000 0.822 296 A HN 0.287 nan 8.150 nan 0.000 0.443 297 L N -0.510 120.647 121.223 -0.109 0.000 2.046 297 L HA 0.021 4.360 4.340 -0.001 0.000 0.208 297 L C 1.186 177.978 176.870 -0.130 0.000 1.077 297 L CA 1.144 55.930 54.840 -0.090 0.000 0.747 297 L CB -1.069 40.960 42.059 -0.051 0.000 0.896 297 L HN 0.323 nan 8.230 nan 0.000 0.432 298 L N 0.846 122.019 121.223 -0.083 0.000 2.384 298 L HA 0.126 4.465 4.340 -0.001 0.000 0.258 298 L C -0.028 176.713 176.870 -0.215 0.000 1.266 298 L CA -0.468 54.338 54.840 -0.057 0.000 1.162 298 L CB -0.471 41.724 42.059 0.227 0.000 1.375 298 L HN 0.385 nan 8.230 nan 0.000 0.420 299 C N -1.474 117.460 119.300 -0.610 0.000 3.323 299 C HA 0.401 4.861 4.460 -0.001 0.000 0.324 299 C C 1.531 176.123 174.990 -0.665 0.000 1.428 299 C CA -0.829 57.913 59.018 -0.459 0.000 1.368 299 C CB 1.944 29.555 27.740 -0.215 0.000 1.731 299 C HN 0.540 nan 8.230 nan 0.000 0.455 300 E N 0.255 120.265 120.200 -0.316 0.000 2.118 300 E HA -0.183 4.167 4.350 -0.001 0.000 0.195 300 E C 1.841 178.315 176.600 -0.210 0.000 0.992 300 E CA 1.777 58.057 56.400 -0.200 0.000 0.804 300 E CB -0.386 29.224 29.700 -0.150 0.000 0.741 300 E HN 0.733 nan 8.360 nan 0.000 0.458 301 H N 0.115 119.097 119.070 -0.147 0.000 2.352 301 H HA -0.125 4.430 4.556 -0.001 0.000 0.299 301 H C 2.272 177.530 175.328 -0.116 0.000 1.097 301 H CA 1.112 57.099 56.048 -0.102 0.000 1.311 301 H CB -0.443 29.263 29.762 -0.093 0.000 1.377 301 H HN 0.114 nan 8.280 nan 0.000 0.504 302 L N 0.460 121.612 121.223 -0.118 0.000 1.994 302 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 302 L C 1.973 178.857 176.870 0.023 0.000 1.071 302 L CA 1.517 56.284 54.840 -0.122 0.000 0.745 302 L CB -0.783 41.106 42.059 -0.283 0.000 0.892 302 L HN -0.025 nan 8.230 nan 0.000 0.431 303 F N -0.773 119.209 119.950 0.053 0.000 2.365 303 F HA -0.065 4.462 4.527 -0.001 0.000 0.300 303 F C 2.411 178.230 175.800 0.031 0.000 1.090 303 F CA 1.195 59.217 58.000 0.036 0.000 1.408 303 F CB -1.818 37.193 39.000 0.018 0.000 1.060 303 F HN 0.087 nan 8.300 nan 0.000 0.534 304 T N -0.143 114.518 114.554 0.178 0.000 3.009 304 T HA 0.064 4.414 4.350 -0.001 0.000 0.258 304 T C 2.197 176.955 174.700 0.096 0.000 1.063 304 T CA 0.538 62.709 62.100 0.117 0.000 1.139 304 T CB -0.186 68.733 68.868 0.085 0.000 0.890 304 T HN 0.151 nan 8.240 nan 0.000 0.471 305 L N 0.383 121.663 121.223 0.095 0.000 2.179 305 L HA 0.121 4.460 4.340 -0.001 0.000 0.208 305 L C 0.724 177.644 176.870 0.083 0.000 1.096 305 L CA 0.831 55.716 54.840 0.075 0.000 0.779 305 L CB 0.168 42.263 42.059 0.060 0.000 0.922 305 L HN 0.101 nan 8.230 nan 0.000 0.443 306 D N -1.315 119.152 120.400 0.113 0.000 2.400 306 D HA 0.195 4.834 4.640 -0.001 0.000 0.272 306 D C -1.871 174.510 176.300 0.136 0.000 1.220 306 D CA -1.935 52.136 54.000 0.117 0.000 0.897 306 D CB 1.091 41.965 40.800 0.124 0.000 1.134 306 D HN -0.201 nan 8.370 nan 0.000 0.507 307 P HA -0.162 nan 4.420 nan 0.000 0.219 307 P C 1.200 178.534 177.300 0.056 0.000 1.144 307 P CA 1.404 64.549 63.100 0.076 0.000 0.806 307 P CB 0.147 31.878 31.700 0.051 0.000 0.771 308 T N -5.340 109.256 114.554 0.070 0.000 3.081 308 T HA 0.083 4.433 4.350 -0.001 0.000 0.255 308 T C 0.679 175.424 174.700 0.075 0.000 1.113 308 T CA -0.002 62.134 62.100 0.060 0.000 1.082 308 T CB -0.688 68.221 68.868 0.068 0.000 0.939 308 T HN -0.191 nan 8.240 nan 0.000 0.506 309 V N 4.633 124.612 119.914 0.107 0.000 2.530 309 V HA 0.326 4.446 4.120 -0.001 0.000 0.282 309 V C -2.116 173.974 176.094 -0.006 0.000 1.048 309 V CA -2.219 60.160 62.300 0.132 0.000 0.997 309 V CB 0.845 32.818 31.823 0.249 0.000 0.987 309 V HN 0.298 nan 8.190 nan 0.000 0.477 310 P HA 0.187 nan 4.420 nan 0.000 0.271 310 P C -2.543 174.421 177.300 -0.560 0.000 1.220 310 P CA -1.786 61.141 63.100 -0.289 0.000 0.768 310 P CB 0.146 31.618 31.700 -0.379 0.000 0.848 311 P HA 0.169 nan 4.420 nan 0.000 0.249 311 P C -0.493 176.288 177.300 -0.866 0.000 1.737 311 P CA 0.231 62.394 63.100 -1.563 0.000 1.128 311 P CB -0.044 31.137 31.700 -0.865 0.000 1.942 312 L N 5.429 126.294 121.223 -0.597 0.000 2.272 312 L HA 0.371 4.711 4.340 -0.001 0.000 0.284 312 L C -1.763 175.194 176.870 0.144 0.000 1.045 312 L CA -2.281 52.467 54.840 -0.153 0.000 0.842 312 L CB 1.593 43.597 42.059 -0.093 0.000 1.224 312 L HN 0.099 nan 8.230 nan 0.000 0.430 313 P HA -0.024 nan 4.420 nan 0.000 0.273 313 P C -0.678 176.767 177.300 0.242 0.000 1.250 313 P CA -0.373 62.896 63.100 0.282 0.000 0.793 313 P CB 0.631 32.448 31.700 0.195 0.000 1.011 314 F N 1.897 121.914 119.950 0.113 0.000 2.462 314 F HA 0.176 4.702 4.527 -0.001 0.000 0.360 314 F C 0.970 176.813 175.800 0.072 0.000 1.134 314 F CA -0.345 57.702 58.000 0.078 0.000 1.148 314 F CB 0.098 39.122 39.000 0.041 0.000 1.147 314 F HN 0.086 nan 8.300 nan 0.000 0.550 315 R N 5.317 125.620 120.500 -0.329 0.000 2.387 315 R HA -0.024 4.315 4.340 -0.001 0.000 0.321 315 R C 1.111 177.183 176.300 -0.379 0.000 1.174 315 R CA 0.050 56.002 56.100 -0.247 0.000 1.002 315 R CB 0.391 30.594 30.300 -0.162 0.000 1.028 315 R HN 0.750 nan 8.270 nan 0.000 0.482 316 E N 2.744 122.873 120.200 -0.119 0.000 2.107 316 E HA -0.186 4.164 4.350 -0.001 0.000 0.191 316 E C 0.785 177.425 176.600 0.067 0.000 0.982 316 E CA 1.414 57.858 56.400 0.072 0.000 0.809 316 E CB 0.358 30.202 29.700 0.241 0.000 0.756 316 E HN 0.540 nan 8.360 nan 0.000 0.459 317 E N -0.180 120.034 120.200 0.022 0.000 2.114 317 E HA -0.236 4.113 4.350 -0.001 0.000 0.199 317 E C 2.066 178.663 176.600 -0.004 0.000 1.008 317 E CA 1.710 58.117 56.400 0.011 0.000 0.810 317 E CB -0.537 29.163 29.700 -0.000 0.000 0.739 317 E HN 0.166 nan 8.360 nan 0.000 0.456 318 V N 0.159 120.057 119.914 -0.027 0.000 2.379 318 V HA -0.228 3.891 4.120 -0.001 0.000 0.245 318 V C 2.043 178.151 176.094 0.023 0.000 1.044 318 V CA 1.666 63.955 62.300 -0.019 0.000 1.036 318 V CB -0.653 31.142 31.823 -0.047 0.000 0.664 318 V HN 0.253 nan 8.190 nan 0.000 0.453 319 Y N 1.995 122.225 120.300 -0.116 0.000 2.097 319 Y HA -0.227 4.322 4.550 -0.001 0.000 0.282 319 Y C 2.671 178.595 175.900 0.040 0.000 1.152 319 Y CA 1.716 59.802 58.100 -0.023 0.000 1.136 319 Y CB -0.311 38.164 38.460 0.025 0.000 0.975 319 Y HN 0.088 nan 8.280 nan 0.000 0.498 320 R N 0.406 120.832 120.500 -0.123 0.000 2.235 320 R HA -0.028 4.312 4.340 -0.001 0.000 0.213 320 R C 1.285 177.511 176.300 -0.123 0.000 1.059 320 R CA 0.727 56.715 56.100 -0.186 0.000 0.997 320 R CB -0.797 29.485 30.300 -0.031 0.000 0.884 320 R HN 0.256 nan 8.270 nan 0.000 0.462 321 S N 1.394 117.052 115.700 -0.072 0.000 2.558 321 S HA -0.009 4.461 4.470 -0.001 0.000 0.288 321 S C 0.781 175.362 174.600 -0.031 0.000 1.318 321 S CA 0.118 58.297 58.200 -0.035 0.000 1.056 321 S CB 0.554 63.747 63.200 -0.012 0.000 0.853 321 S HN 0.375 nan 8.310 nan 0.000 0.505 322 S N 4.078 119.773 115.700 -0.008 0.000 2.901 322 S HA 0.279 4.749 4.470 -0.001 0.000 0.248 322 S C -0.029 174.588 174.600 0.028 0.000 1.021 322 S CA -0.965 57.242 58.200 0.012 0.000 1.090 322 S CB 0.071 63.268 63.200 -0.004 0.000 1.039 322 S HN 0.855 nan 8.310 nan 0.000 0.514 323 R N 0.318 120.837 120.500 0.032 0.000 2.532 323 R HA 0.617 4.957 4.340 -0.001 0.000 0.272 323 R C -3.089 173.247 176.300 0.060 0.000 1.032 323 R CA -1.687 54.428 56.100 0.025 0.000 1.089 323 R CB -1.212 29.096 30.300 0.013 0.000 1.098 323 R HN -0.004 nan 8.270 nan 0.000 0.526 324 P HA 0.032 nan 4.420 nan 0.000 0.264 324 P C -0.643 176.729 177.300 0.119 0.000 1.183 324 P CA 0.296 63.418 63.100 0.037 0.000 0.763 324 P CB 0.381 32.054 31.700 -0.045 0.000 0.807 325 L N 3.337 124.710 121.223 0.250 0.000 2.330 325 L HA 0.482 4.821 4.340 -0.001 0.000 0.271 325 L C 0.850 177.721 176.870 0.002 0.000 1.013 325 L CA -0.875 54.004 54.840 0.064 0.000 0.816 325 L CB 1.626 43.648 42.059 -0.062 0.000 1.287 325 L HN 0.197 nan 8.230 nan 0.000 0.435 326 R N 1.590 122.041 120.500 -0.082 0.000 2.204 326 R HA 0.391 4.731 4.340 -0.001 0.000 0.341 326 R C -1.158 174.998 176.300 -0.240 0.000 1.035 326 R CA -0.406 55.623 56.100 -0.118 0.000 0.887 326 R CB 1.063 31.296 30.300 -0.112 0.000 1.114 326 R HN 0.270 nan 8.270 nan 0.000 0.473 327 V N 3.378 123.168 119.914 -0.207 0.000 2.311 327 V HA 0.299 4.419 4.120 -0.001 0.000 0.275 327 V C 0.903 176.914 176.094 -0.138 0.000 1.022 327 V CA -0.783 61.347 62.300 -0.283 0.000 0.830 327 V CB 1.329 33.012 31.823 -0.234 0.000 1.012 327 V HN 0.894 nan 8.190 nan 0.000 0.452 328 G N 4.243 112.874 108.800 -0.282 0.000 2.594 328 G HA2 0.441 4.401 3.960 -0.001 0.000 0.243 328 G HA3 0.441 4.401 3.960 -0.001 0.000 0.243 328 G C -0.885 174.082 174.900 0.112 0.000 1.229 328 G CA 0.034 45.039 45.100 -0.157 0.000 0.843 328 G HN 0.966 nan 8.290 nan 0.000 0.578 329 Y N -0.735 119.634 120.300 0.116 0.000 2.592 329 Y HA 0.649 5.199 4.550 -0.000 0.000 0.334 329 Y C -1.536 174.540 175.900 0.294 0.000 1.136 329 Y CA -2.192 55.983 58.100 0.125 0.000 1.042 329 Y CB 1.166 39.663 38.460 0.063 0.000 1.325 329 Y HN 0.844 nan 8.280 nan 0.000 0.457 330 Y N -0.497 119.951 120.300 0.247 0.000 2.524 330 Y HA 0.639 5.189 4.550 -0.000 0.000 0.347 330 Y C 0.007 176.097 175.900 0.317 0.000 1.005 330 Y CA -1.423 56.794 58.100 0.194 0.000 1.025 330 Y CB 1.914 40.475 38.460 0.168 0.000 1.275 330 Y HN 0.741 nan 8.280 nan 0.000 0.460 331 E N 0.653 121.107 120.200 0.423 0.000 2.299 331 E HA 0.058 4.407 4.350 -0.001 0.000 0.193 331 E C -0.045 176.778 176.600 0.372 0.000 0.998 331 E CA 1.049 57.640 56.400 0.319 0.000 0.851 331 E CB 0.526 30.390 29.700 0.274 0.000 0.795 331 E HN 0.616 nan 8.360 nan 0.000 0.492 332 T N 0.529 115.393 114.554 0.516 0.000 2.982 332 T HA 0.076 4.425 4.350 -0.001 0.000 0.321 332 T C -1.251 173.802 174.700 0.589 0.000 1.229 332 T CA -0.819 61.644 62.100 0.605 0.000 1.044 332 T CB 1.488 70.639 68.868 0.472 0.000 1.184 332 T HN 0.009 nan 8.240 nan 0.000 0.477 333 D N 2.730 123.462 120.400 0.554 0.000 2.325 333 D HA 0.095 4.735 4.640 -0.001 0.000 0.225 333 D C 0.456 176.790 176.300 0.056 0.000 1.096 333 D CA -0.246 53.830 54.000 0.127 0.000 0.844 333 D CB -0.369 40.356 40.800 -0.126 0.000 0.925 333 D HN 0.551 nan 8.370 nan 0.000 0.513 334 N N -0.541 118.199 118.700 0.067 0.000 2.710 334 N HA -0.296 4.444 4.740 -0.001 0.000 0.249 334 N C -0.563 174.896 175.510 -0.086 0.000 1.059 334 N CA 0.880 53.735 53.050 -0.325 0.000 0.720 334 N CB -1.517 36.770 38.487 -0.333 0.000 0.983 334 N HN 0.590 nan 8.380 nan 0.000 0.544 335 Y N -1.167 119.244 120.300 0.185 0.000 3.199 335 Y HA 0.143 4.693 4.550 -0.001 0.000 0.211 335 Y C 0.398 176.674 175.900 0.626 0.000 0.959 335 Y CA 0.409 58.750 58.100 0.402 0.000 1.528 335 Y CB 0.536 39.137 38.460 0.235 0.000 1.487 335 Y HN -0.040 nan 8.280 nan 0.000 0.403 336 T N 3.214 118.122 114.554 0.591 0.000 2.753 336 T HA 0.266 4.616 4.350 -0.001 0.000 0.297 336 T C -0.443 174.589 174.700 0.554 0.000 0.981 336 T CA -0.452 61.964 62.100 0.526 0.000 0.956 336 T CB 0.607 69.795 68.868 0.533 0.000 0.936 336 T HN 0.252 nan 8.240 nan 0.000 0.463 337 M N 7.394 127.080 119.600 0.145 0.000 2.286 337 M HA 0.094 4.574 4.480 -0.001 0.000 0.365 337 M C -2.000 174.518 176.300 0.364 0.000 1.443 337 M CA -0.724 54.519 55.300 -0.095 0.000 0.951 337 M CB 0.382 32.552 32.600 -0.717 0.000 1.961 337 M HN 0.234 nan 8.290 nan 0.000 0.468 338 P HA 0.129 nan 4.420 nan 0.000 0.272 338 P C -1.099 176.382 177.300 0.301 0.000 1.230 338 P CA -0.396 62.871 63.100 0.278 0.000 0.788 338 P CB 0.482 32.290 31.700 0.179 0.000 0.949 339 S N 1.238 117.041 115.700 0.172 0.000 2.593 339 S HA 0.206 4.676 4.470 -0.001 0.000 0.269 339 S C -1.715 172.940 174.600 0.093 0.000 1.334 339 S CA -0.912 57.352 58.200 0.108 0.000 1.015 339 S CB -0.285 62.894 63.200 -0.035 0.000 0.912 339 S HN 0.272 nan 8.310 nan 0.000 0.541 340 P HA -0.097 nan 4.420 nan 0.000 0.216 340 P C 1.631 178.944 177.300 0.021 0.000 1.153 340 P CA 1.964 65.097 63.100 0.055 0.000 0.858 340 P CB -0.274 31.453 31.700 0.045 0.000 0.789 341 A N -1.116 121.702 122.820 -0.004 0.000 1.940 341 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 341 A C 2.213 179.779 177.584 -0.030 0.000 1.176 341 A CA 2.044 54.064 52.037 -0.028 0.000 0.631 341 A CB -1.457 17.510 19.000 -0.055 0.000 0.814 341 A HN 0.122 nan 8.150 nan 0.000 0.446 342 M N -1.351 118.233 119.600 -0.026 0.000 2.067 342 M HA -0.158 4.321 4.480 -0.001 0.000 0.260 342 M C 2.404 178.687 176.300 -0.028 0.000 1.069 342 M CA 2.129 57.403 55.300 -0.043 0.000 1.117 342 M CB -0.301 32.263 32.600 -0.061 0.000 1.334 342 M HN 0.557 nan 8.290 nan 0.000 0.407 343 R N 0.386 120.893 120.500 0.011 0.000 2.115 343 R HA -0.126 4.213 4.340 -0.001 0.000 0.230 343 R C 2.171 178.482 176.300 0.019 0.000 1.111 343 R CA 1.476 57.597 56.100 0.036 0.000 0.976 343 R CB -0.265 30.081 30.300 0.076 0.000 0.870 343 R HN 0.225 nan 8.270 nan 0.000 0.445 344 R N 0.160 120.665 120.500 0.007 0.000 2.073 344 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 344 R C 2.214 178.503 176.300 -0.019 0.000 1.134 344 R CA 1.640 57.738 56.100 -0.003 0.000 0.952 344 R CB -0.444 29.852 30.300 -0.007 0.000 0.850 344 R HN 0.355 nan 8.270 nan 0.000 0.433 345 A N 1.423 124.225 122.820 -0.030 0.000 1.917 345 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 345 A C 2.099 179.654 177.584 -0.047 0.000 1.182 345 A CA 1.392 53.402 52.037 -0.044 0.000 0.633 345 A CB -0.695 18.272 19.000 -0.055 0.000 0.819 345 A HN 0.407 nan 8.150 nan 0.000 0.448 346 L N -0.298 120.902 121.223 -0.039 0.000 2.068 346 L HA -0.030 4.310 4.340 -0.001 0.000 0.204 346 L C 2.344 179.186 176.870 -0.047 0.000 1.076 346 L CA 1.756 56.574 54.840 -0.038 0.000 0.753 346 L CB -0.909 41.142 42.059 -0.013 0.000 0.910 346 L HN 0.459 nan 8.230 nan 0.000 0.439 347 I N 0.275 120.828 120.570 -0.028 0.000 2.127 347 I HA -0.338 3.832 4.170 -0.001 0.000 0.241 347 I C 2.470 178.548 176.117 -0.064 0.000 1.075 347 I CA 1.415 62.684 61.300 -0.051 0.000 1.334 347 I CB -0.265 37.728 38.000 -0.012 0.000 1.040 347 I HN 0.310 nan 8.210 nan 0.000 0.405 348 E N 0.267 120.441 120.200 -0.043 0.000 2.097 348 E HA -0.220 4.130 4.350 -0.001 0.000 0.196 348 E C 2.141 178.712 176.600 -0.049 0.000 1.000 348 E CA 2.075 58.451 56.400 -0.039 0.000 0.804 348 E CB -0.142 29.540 29.700 -0.030 0.000 0.740 348 E HN 0.490 nan 8.360 nan 0.000 0.454 349 T N 1.139 115.658 114.554 -0.058 0.000 2.652 349 T HA -0.219 4.131 4.350 -0.001 0.000 0.267 349 T C 1.785 176.445 174.700 -0.066 0.000 1.039 349 T CA 1.414 63.475 62.100 -0.064 0.000 1.153 349 T CB -0.191 68.630 68.868 -0.079 0.000 0.863 349 T HN 0.133 nan 8.240 nan 0.000 0.428 350 K N 0.946 121.281 120.400 -0.109 0.000 2.044 350 K HA -0.232 4.087 4.320 -0.001 0.000 0.210 350 K C 2.351 178.881 176.600 -0.117 0.000 1.049 350 K CA 1.750 57.930 56.287 -0.178 0.000 0.927 350 K CB -0.215 32.053 32.500 -0.386 0.000 0.713 350 K HN 0.439 nan 8.250 nan 0.000 0.443 351 Q N -0.426 119.318 119.800 -0.094 0.000 2.170 351 Q HA -0.097 4.243 4.340 -0.001 0.000 0.203 351 Q C 2.271 178.260 176.000 -0.018 0.000 0.976 351 Q CA 0.971 56.742 55.803 -0.054 0.000 0.858 351 Q CB 0.032 28.744 28.738 -0.043 0.000 0.907 351 Q HN 0.236 nan 8.270 nan 0.000 0.433 352 R N 0.422 120.915 120.500 -0.012 0.000 2.073 352 R HA -0.038 4.302 4.340 -0.001 0.000 0.229 352 R C 2.303 178.639 176.300 0.060 0.000 1.120 352 R CA 0.818 56.927 56.100 0.014 0.000 0.967 352 R CB -0.521 29.781 30.300 0.004 0.000 0.862 352 R HN 0.293 nan 8.270 nan 0.000 0.436 353 L N 0.801 122.069 121.223 0.074 0.000 2.042 353 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 353 L C 2.363 179.379 176.870 0.244 0.000 1.076 353 L CA 1.502 56.465 54.840 0.206 0.000 0.749 353 L CB -0.377 41.747 42.059 0.108 0.000 0.893 353 L HN 0.225 nan 8.230 nan 0.000 0.432 354 E N -0.069 120.188 120.200 0.095 0.000 2.031 354 E HA -0.252 4.098 4.350 -0.001 0.000 0.193 354 E C 2.339 178.957 176.600 0.031 0.000 0.994 354 E CA 1.151 57.583 56.400 0.053 0.000 0.800 354 E CB -0.248 29.459 29.700 0.011 0.000 0.752 354 E HN 0.491 nan 8.360 nan 0.000 0.447 355 A N 1.373 124.208 122.820 0.025 0.000 1.940 355 A HA -0.271 4.048 4.320 -0.001 0.000 0.221 355 A C 2.284 179.869 177.584 0.001 0.000 1.190 355 A CA 2.155 54.199 52.037 0.012 0.000 0.647 355 A CB -0.745 18.264 19.000 0.014 0.000 0.821 355 A HN 0.326 nan 8.150 nan 0.000 0.457 356 A N -2.449 120.384 122.820 0.022 0.000 2.238 356 A HA 0.423 4.742 4.320 -0.001 0.000 0.208 356 A C 1.755 179.205 177.584 -0.222 0.000 1.177 356 A CA 1.162 53.178 52.037 -0.035 0.000 0.804 356 A CB -0.831 18.229 19.000 0.099 0.000 0.823 356 A HN 2.068 nan 8.150 nan 0.000 0.482 357 G N -1.146 107.547 108.800 -0.180 0.000 2.144 357 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.218 357 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.218 357 G C -0.132 174.598 174.900 -0.282 0.000 0.988 357 G CA 0.222 45.191 45.100 -0.217 0.000 0.659 357 G HN 0.775 nan 8.290 nan 0.000 0.522 358 H N 0.364 119.436 119.070 0.004 0.000 2.481 358 H HA 0.615 5.170 4.556 -0.001 0.000 0.339 358 H C 0.333 175.657 175.328 -0.006 0.000 1.131 358 H CA 0.290 56.337 56.048 -0.003 0.000 1.301 358 H CB 1.105 30.872 29.762 0.008 0.000 1.476 358 H HN 0.089 nan 8.280 nan 0.000 0.529 359 T N 4.067 118.684 114.554 0.105 0.000 2.743 359 T HA 0.206 4.556 4.350 -0.001 0.000 0.293 359 T C -0.112 174.627 174.700 0.066 0.000 0.945 359 T CA -0.650 61.486 62.100 0.060 0.000 1.030 359 T CB 0.162 69.048 68.868 0.029 0.000 0.912 359 T HN 0.174 nan 8.240 nan 0.000 0.483 360 L N 5.126 126.404 121.223 0.092 0.000 2.265 360 L HA 0.533 4.872 4.340 -0.001 0.000 0.289 360 L C -0.244 176.794 176.870 0.281 0.000 1.033 360 L CA -0.395 54.544 54.840 0.166 0.000 0.814 360 L CB 1.057 43.151 42.059 0.058 0.000 1.203 360 L HN 0.640 nan 8.230 nan 0.000 0.423 361 I N 5.576 126.301 120.570 0.259 0.000 2.382 361 I HA 0.314 4.484 4.170 -0.001 0.000 0.286 361 I C -2.169 173.931 176.117 -0.029 0.000 1.002 361 I CA -2.000 59.373 61.300 0.123 0.000 1.135 361 I CB 2.033 40.049 38.000 0.027 0.000 1.288 361 I HN 0.305 nan 8.210 nan 0.000 0.448 362 P HA 0.029 nan 4.420 nan 0.000 0.262 362 P C -1.054 176.202 177.300 -0.073 0.000 1.182 362 P CA 0.483 63.339 63.100 -0.406 0.000 0.761 362 P CB 0.180 31.747 31.700 -0.221 0.000 0.795 363 F N 4.482 124.299 119.950 -0.222 0.000 2.635 363 F HA 0.546 5.073 4.527 -0.001 0.000 0.314 363 F C -2.043 173.749 175.800 -0.012 0.000 1.119 363 F CA -0.898 57.049 58.000 -0.088 0.000 1.000 363 F CB 1.342 40.294 39.000 -0.080 0.000 1.278 363 F HN 0.069 nan 8.300 nan 0.000 0.446 364 L N 8.041 128.927 121.223 -0.563 0.000 2.482 364 L HA 0.637 4.977 4.340 -0.001 0.000 0.269 364 L C -2.613 173.926 176.870 -0.551 0.000 0.967 364 L CA -1.923 52.638 54.840 -0.466 0.000 0.851 364 L CB 1.730 43.558 42.059 -0.384 0.000 1.242 364 L HN 0.306 nan 8.230 nan 0.000 0.404 365 P HA 0.043 nan 4.420 nan 0.000 0.261 365 P C -1.042 176.167 177.300 -0.152 0.000 1.165 365 P CA 0.294 63.303 63.100 -0.152 0.000 0.759 365 P CB 0.096 31.804 31.700 0.013 0.000 0.772 366 N N 2.056 120.693 118.700 -0.105 0.000 2.508 366 N HA 0.022 4.762 4.740 -0.001 0.000 0.264 366 N C -0.048 175.530 175.510 0.113 0.000 1.216 366 N CA -0.366 52.659 53.050 -0.041 0.000 0.943 366 N CB -0.222 38.240 38.487 -0.041 0.000 1.113 366 N HN 0.263 nan 8.380 nan 0.000 0.447 367 N N 0.038 118.761 118.700 0.040 0.000 2.714 367 N HA -0.194 4.546 4.740 -0.001 0.000 0.253 367 N C 0.137 175.647 175.510 -0.001 0.000 1.024 367 N CA 0.529 53.604 53.050 0.042 0.000 0.726 367 N CB -0.960 37.559 38.487 0.053 0.000 0.908 367 N HN 0.664 nan 8.380 nan 0.000 0.542 368 I N 0.457 120.990 120.570 -0.061 0.000 2.226 368 I HA -0.160 4.009 4.170 -0.001 0.000 0.245 368 I C -0.507 175.445 176.117 -0.275 0.000 1.100 368 I CA 1.240 62.434 61.300 -0.176 0.000 1.374 368 I CB -0.816 37.056 38.000 -0.212 0.000 1.057 368 I HN 0.171 nan 8.210 nan 0.000 0.413 369 P HA -0.252 nan 4.420 nan 0.000 0.215 369 P C 1.563 178.789 177.300 -0.124 0.000 1.157 369 P CA 1.592 64.621 63.100 -0.120 0.000 0.874 369 P CB -0.204 31.581 31.700 0.142 0.000 0.790 370 Y N 0.864 121.027 120.300 -0.228 0.000 2.114 370 Y HA -0.267 4.282 4.550 -0.001 0.000 0.282 370 Y C 2.375 178.029 175.900 -0.410 0.000 1.165 370 Y CA 1.831 59.761 58.100 -0.283 0.000 1.148 370 Y CB -1.216 37.075 38.460 -0.282 0.000 0.972 370 Y HN -0.108 nan 8.280 nan 0.000 0.504 371 A N 0.126 122.604 122.820 -0.570 0.000 1.908 371 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 371 A C 2.318 179.594 177.584 -0.514 0.000 1.181 371 A CA 2.093 53.688 52.037 -0.738 0.000 0.627 371 A CB -1.068 17.539 19.000 -0.655 0.000 0.818 371 A HN 0.564 nan 8.150 nan 0.000 0.445 372 L N -1.428 119.532 121.223 -0.439 0.000 2.084 372 L HA -0.066 4.274 4.340 -0.001 0.000 0.202 372 L C 2.568 179.135 176.870 -0.505 0.000 1.074 372 L CA 1.328 55.945 54.840 -0.372 0.000 0.757 372 L CB -0.597 41.253 42.059 -0.349 0.000 0.918 372 L HN 0.392 nan 8.230 nan 0.000 0.444 373 E N -0.231 119.648 120.200 -0.535 0.000 2.112 373 E HA -0.155 4.195 4.350 -0.001 0.000 0.190 373 E C 2.077 178.386 176.600 -0.485 0.000 0.979 373 E CA 1.441 57.435 56.400 -0.678 0.000 0.814 373 E CB 0.158 29.658 29.700 -0.333 0.000 0.762 373 E HN 0.435 nan 8.360 nan 0.000 0.460 374 V N -1.134 118.531 119.914 -0.416 0.000 2.806 374 V HA 0.030 4.150 4.120 -0.001 0.000 0.239 374 V C 1.882 177.743 176.094 -0.388 0.000 1.113 374 V CA 0.348 62.435 62.300 -0.355 0.000 1.137 374 V CB -0.332 31.317 31.823 -0.289 0.000 0.865 374 V HN 0.114 nan 8.190 nan 0.000 0.482 375 L N 0.995 121.885 121.223 -0.555 0.000 1.993 375 L HA -0.028 4.311 4.340 -0.001 0.000 0.206 375 L C 2.883 179.593 176.870 -0.267 0.000 1.074 375 L CA 2.087 56.661 54.840 -0.443 0.000 0.746 375 L CB -0.928 40.782 42.059 -0.580 0.000 0.896 375 L HN 0.358 nan 8.230 nan 0.000 0.435 376 S N -0.628 114.913 115.700 -0.264 0.000 2.345 376 S HA -0.158 4.312 4.470 -0.001 0.000 0.220 376 S C 2.014 176.576 174.600 -0.064 0.000 1.031 376 S CA 1.797 59.909 58.200 -0.147 0.000 0.996 376 S CB -0.446 62.673 63.200 -0.135 0.000 0.882 376 S HN 0.391 nan 8.310 nan 0.000 0.445 377 T N 1.775 116.273 114.554 -0.093 0.000 2.684 377 T HA -0.085 4.265 4.350 -0.001 0.000 0.267 377 T C 2.051 176.801 174.700 0.084 0.000 1.036 377 T CA 1.466 63.594 62.100 0.047 0.000 1.148 377 T CB -0.927 67.840 68.868 -0.168 0.000 0.863 377 T HN 0.558 nan 8.240 nan 0.000 0.436 378 G N 0.695 109.469 108.800 -0.043 0.000 2.418 378 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.217 378 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.217 378 G C 1.697 176.592 174.900 -0.008 0.000 1.158 378 G CA 0.946 46.034 45.100 -0.020 0.000 0.771 378 G HN 0.573 nan 8.290 nan 0.000 0.545 379 G N 0.660 109.434 108.800 -0.043 0.000 2.403 379 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.216 379 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.216 379 G C 1.790 176.636 174.900 -0.090 0.000 1.154 379 G CA 0.489 45.560 45.100 -0.048 0.000 0.784 379 G HN 0.407 nan 8.290 nan 0.000 0.538 380 L N -1.093 120.056 121.223 -0.122 0.000 2.141 380 L HA 0.143 4.483 4.340 -0.001 0.000 0.209 380 L C 1.107 177.572 176.870 -0.675 0.000 1.094 380 L CA 0.696 55.314 54.840 -0.370 0.000 0.763 380 L CB -0.047 41.808 42.059 -0.340 0.000 0.908 380 L HN 0.137 nan 8.230 nan 0.000 0.437 381 F N -1.735 118.169 119.950 -0.076 0.000 2.841 381 F HA 0.190 4.717 4.527 -0.001 0.000 0.358 381 F C 1.692 177.461 175.800 -0.052 0.000 1.261 381 F CA -0.282 57.663 58.000 -0.092 0.000 1.233 381 F CB -0.028 38.910 39.000 -0.103 0.000 1.008 381 F HN -0.173 nan 8.300 nan 0.000 0.507 382 S N -0.112 115.622 115.700 0.056 0.000 2.400 382 S HA -0.211 4.259 4.470 -0.001 0.000 0.232 382 S C 1.583 176.214 174.600 0.052 0.000 1.025 382 S CA 1.782 60.008 58.200 0.043 0.000 0.993 382 S CB -0.224 62.987 63.200 0.017 0.000 0.808 382 S HN 0.610 nan 8.310 nan 0.000 0.478 383 D N -0.081 120.356 120.400 0.061 0.000 2.358 383 D HA 0.253 4.893 4.640 -0.001 0.000 0.224 383 D C 1.163 177.513 176.300 0.083 0.000 1.123 383 D CA 0.493 54.529 54.000 0.060 0.000 0.833 383 D CB -0.497 40.336 40.800 0.054 0.000 0.946 383 D HN 0.360 nan 8.370 nan 0.000 0.505 384 G N -0.060 108.803 108.800 0.105 0.000 2.189 384 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.267 384 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.267 384 G C 1.188 176.167 174.900 0.131 0.000 0.975 384 G CA 0.457 45.613 45.100 0.092 0.000 0.644 384 G HN 1.448 nan 8.290 nan 0.000 0.537 385 G N -1.096 107.841 108.800 0.228 0.000 2.157 385 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.239 385 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.239 385 G C 0.889 175.935 174.900 0.242 0.000 0.982 385 G CA 1.149 46.432 45.100 0.304 0.000 0.650 385 G HN 1.002 nan 8.290 nan 0.000 0.527 386 R N 1.000 121.594 120.500 0.157 0.000 2.083 386 R HA -0.005 4.335 4.340 -0.001 0.000 0.237 386 R C 2.854 179.234 176.300 0.132 0.000 1.137 386 R CA 2.595 58.767 56.100 0.121 0.000 0.951 386 R CB -0.431 29.919 30.300 0.083 0.000 0.851 386 R HN 0.419 nan 8.270 nan 0.000 0.434 387 S N -0.300 115.480 115.700 0.134 0.000 2.383 387 S HA -0.122 4.348 4.470 -0.001 0.000 0.227 387 S C 1.506 176.200 174.600 0.157 0.000 1.026 387 S CA 1.171 59.443 58.200 0.119 0.000 0.981 387 S CB -0.354 62.904 63.200 0.097 0.000 0.818 387 S HN 0.360 nan 8.310 nan 0.000 0.472 388 F N 2.311 122.286 119.950 0.042 0.000 2.128 388 F HA 0.080 4.607 4.527 -0.001 0.000 0.295 388 F C 1.795 177.715 175.800 0.200 0.000 1.100 388 F CA 1.017 59.061 58.000 0.075 0.000 1.260 388 F CB -0.382 38.639 39.000 0.035 0.000 1.009 388 F HN 0.051 nan 8.300 nan 0.000 0.476 389 L N 0.049 121.422 121.223 0.249 0.000 2.187 389 L HA -0.257 4.083 4.340 -0.001 0.000 0.213 389 L C 2.462 179.405 176.870 0.120 0.000 1.100 389 L CA 1.307 56.248 54.840 0.169 0.000 0.765 389 L CB -0.695 41.449 42.059 0.141 0.000 0.904 389 L HN 0.251 nan 8.230 nan 0.000 0.437 390 Q N 0.318 120.159 119.800 0.068 0.000 2.112 390 Q HA -0.228 4.112 4.340 -0.001 0.000 0.206 390 Q C 1.853 177.829 176.000 -0.040 0.000 0.987 390 Q CA 1.706 57.522 55.803 0.022 0.000 0.858 390 Q CB -0.138 28.612 28.738 0.021 0.000 0.905 390 Q HN 0.499 nan 8.270 nan 0.000 0.420 391 N N -1.071 117.549 118.700 -0.134 0.000 2.443 391 N HA -0.131 4.608 4.740 -0.001 0.000 0.184 391 N C 0.507 175.739 175.510 -0.463 0.000 1.037 391 N CA 0.784 53.633 53.050 -0.335 0.000 0.896 391 N CB 0.007 38.156 38.487 -0.565 0.000 0.959 391 N HN 0.275 nan 8.380 nan 0.000 0.442 392 F N 0.983 120.827 119.950 -0.178 0.000 2.721 392 F HA 0.219 4.746 4.527 -0.001 0.000 0.301 392 F C 0.695 176.431 175.800 -0.107 0.000 1.096 392 F CA -0.219 57.694 58.000 -0.145 0.000 1.308 392 F CB 0.337 39.241 39.000 -0.160 0.000 1.086 392 F HN -0.343 nan 8.300 nan 0.000 0.587 393 K N 0.869 121.294 120.400 0.042 0.000 2.430 393 K HA 0.236 4.556 4.320 -0.001 0.000 0.280 393 K C 1.193 177.768 176.600 -0.042 0.000 1.063 393 K CA 0.967 57.255 56.287 0.001 0.000 1.071 393 K CB -0.064 32.431 32.500 -0.009 0.000 0.899 393 K HN 0.400 nan 8.250 nan 0.000 0.473 394 G N 2.550 111.313 108.800 -0.062 0.000 2.241 394 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.244 394 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.244 394 G C 0.057 174.841 174.900 -0.192 0.000 0.998 394 G CA 0.200 45.230 45.100 -0.116 0.000 0.621 394 G HN 0.637 nan 8.290 nan 0.000 0.519 395 D N -0.090 120.226 120.400 -0.141 0.000 2.340 395 D HA 0.601 5.241 4.640 -0.001 0.000 0.251 395 D C 0.706 176.918 176.300 -0.147 0.000 1.080 395 D CA -0.748 53.158 54.000 -0.156 0.000 0.971 395 D CB 0.350 41.115 40.800 -0.057 0.000 1.137 395 D HN 0.039 nan 8.370 nan 0.000 0.475 396 F N 0.224 120.200 119.950 0.044 0.000 2.444 396 F HA 0.210 4.736 4.527 -0.001 0.000 0.331 396 F C 0.857 176.730 175.800 0.121 0.000 1.167 396 F CA -0.460 57.572 58.000 0.055 0.000 1.262 396 F CB 0.575 39.590 39.000 0.026 0.000 1.196 396 F HN -0.110 nan 8.300 nan 0.000 0.583 397 V N 3.012 123.096 119.914 0.283 0.000 2.347 397 V HA 0.132 4.252 4.120 -0.001 0.000 0.280 397 V C -0.295 175.890 176.094 0.151 0.000 1.021 397 V CA -0.675 61.742 62.300 0.196 0.000 0.847 397 V CB 0.927 32.756 31.823 0.009 0.000 0.990 397 V HN 0.717 nan 8.190 nan 0.000 0.444 398 D N 7.823 128.321 120.400 0.163 0.000 2.455 398 D HA 0.092 4.731 4.640 -0.001 0.000 0.241 398 D C -1.492 174.840 176.300 0.053 0.000 1.138 398 D CA -1.058 52.998 54.000 0.095 0.000 0.877 398 D CB 2.113 42.975 40.800 0.103 0.000 1.187 398 D HN 0.340 nan 8.370 nan 0.000 0.451 399 P HA -0.170 nan 4.420 nan 0.000 0.218 399 P C 1.432 178.727 177.300 -0.008 0.000 1.150 399 P CA 1.068 64.169 63.100 0.001 0.000 0.841 399 P CB -0.151 31.542 31.700 -0.012 0.000 0.784 400 C N -3.505 115.794 119.300 -0.003 0.000 2.539 400 C HA 0.190 4.649 4.460 -0.001 0.000 0.271 400 C C 1.834 176.813 174.990 -0.017 0.000 1.412 400 C CA -0.268 58.733 59.018 -0.028 0.000 1.729 400 C CB -2.133 25.588 27.740 -0.031 0.000 1.739 400 C HN 0.022 nan 8.230 nan 0.000 0.570 401 L N 1.538 122.773 121.223 0.021 0.000 2.567 401 L HA 0.361 4.701 4.340 -0.001 0.000 0.225 401 L C 1.984 178.856 176.870 0.004 0.000 1.119 401 L CA 1.295 56.161 54.840 0.043 0.000 0.871 401 L CB -1.339 40.767 42.059 0.078 0.000 1.036 401 L HN 0.713 nan 8.230 nan 0.000 0.459 402 G N 0.383 109.172 108.800 -0.018 0.000 2.583 402 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.292 402 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.292 402 G C 0.440 175.329 174.900 -0.019 0.000 1.203 402 G CA 0.491 45.578 45.100 -0.021 0.000 0.987 402 G HN 0.281 nan 8.290 nan 0.000 0.554 403 D N 0.530 120.922 120.400 -0.012 0.000 2.363 403 D HA 0.306 4.946 4.640 -0.001 0.000 0.214 403 D C 2.141 178.419 176.300 -0.036 0.000 1.093 403 D CA 0.052 54.039 54.000 -0.022 0.000 0.837 403 D CB 0.414 41.208 40.800 -0.010 0.000 0.948 403 D HN 0.330 nan 8.370 nan 0.000 0.507 404 L N 0.598 121.802 121.223 -0.031 0.000 1.997 404 L HA -0.221 4.119 4.340 -0.001 0.000 0.216 404 L C 1.645 178.469 176.870 -0.076 0.000 1.074 404 L CA 1.711 56.523 54.840 -0.046 0.000 0.763 404 L CB -0.525 41.544 42.059 0.016 0.000 0.890 404 L HN -0.024 nan 8.230 nan 0.000 0.434 405 I N -1.230 119.279 120.570 -0.103 0.000 2.179 405 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 405 I C 2.294 178.347 176.117 -0.107 0.000 1.088 405 I CA 1.198 62.403 61.300 -0.159 0.000 1.357 405 I CB -0.771 37.029 38.000 -0.334 0.000 1.051 405 I HN 0.329 nan 8.210 nan 0.000 0.409 406 L N 0.408 121.579 121.223 -0.087 0.000 2.012 406 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 406 L C 2.335 179.168 176.870 -0.061 0.000 1.073 406 L CA 1.964 56.764 54.840 -0.067 0.000 0.748 406 L CB -0.577 41.452 42.059 -0.051 0.000 0.891 406 L HN 0.198 nan 8.230 nan 0.000 0.431 407 I N -1.300 119.234 120.570 -0.059 0.000 2.252 407 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 407 I C 2.386 178.456 176.117 -0.078 0.000 1.102 407 I CA 1.117 62.384 61.300 -0.055 0.000 1.385 407 I CB -0.317 37.649 38.000 -0.058 0.000 1.064 407 I HN 0.251 nan 8.210 nan 0.000 0.414 408 L N 0.242 121.403 121.223 -0.103 0.000 2.046 408 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 408 L C 2.638 179.481 176.870 -0.044 0.000 1.077 408 L CA 1.402 56.187 54.840 -0.092 0.000 0.747 408 L CB -0.557 41.466 42.059 -0.060 0.000 0.896 408 L HN 0.145 nan 8.230 nan 0.000 0.432 409 R N -0.150 120.323 120.500 -0.045 0.000 2.241 409 R HA -0.040 4.300 4.340 -0.001 0.000 0.224 409 R C 0.405 176.666 176.300 -0.064 0.000 1.101 409 R CA 0.312 56.387 56.100 -0.042 0.000 0.995 409 R CB -0.328 29.941 30.300 -0.052 0.000 0.870 409 R HN 0.264 nan 8.270 nan 0.000 0.463 410 L N 2.959 124.138 121.223 -0.074 0.000 2.410 410 L HA 0.130 4.469 4.340 -0.001 0.000 0.273 410 L C -1.799 175.000 176.870 -0.117 0.000 1.152 410 L CA -1.909 52.866 54.840 -0.108 0.000 0.855 410 L CB 0.172 42.228 42.059 -0.004 0.000 1.129 410 L HN -0.086 nan 8.230 nan 0.000 0.463 411 P HA -0.032 nan 4.420 nan 0.000 0.270 411 P C 0.384 177.546 177.300 -0.229 0.000 1.223 411 P CA -0.147 62.844 63.100 -0.182 0.000 0.785 411 P CB 0.954 32.538 31.700 -0.193 0.000 0.923 412 S N 1.541 117.206 115.700 -0.058 0.000 2.356 412 S HA -0.104 4.365 4.470 -0.001 0.000 0.223 412 S C 1.686 176.291 174.600 0.007 0.000 1.032 412 S CA 1.126 59.324 58.200 -0.002 0.000 1.005 412 S CB -0.819 62.425 63.200 0.074 0.000 0.867 412 S HN 0.659 nan 8.310 nan 0.000 0.449 413 W N 0.404 121.750 121.300 0.076 0.000 2.321 413 W HA -0.178 4.482 4.660 0.000 0.000 0.306 413 W C 1.888 178.463 176.519 0.092 0.000 1.217 413 W CA 0.862 58.250 57.345 0.071 0.000 1.257 413 W CB -1.396 28.108 29.460 0.073 0.000 1.145 413 W HN 0.415 nan 8.180 nan 0.000 0.509 414 F N 2.482 121.853 119.950 -0.966 0.000 2.234 414 F HA 0.035 4.561 4.527 -0.001 0.000 0.296 414 F C 2.549 178.107 175.800 -0.403 0.000 1.089 414 F CA 1.856 59.296 58.000 -0.933 0.000 1.343 414 F CB -0.362 37.735 39.000 -1.506 0.000 1.040 414 F HN -0.305 nan 8.300 nan 0.000 0.498 415 K N 0.137 120.401 120.400 -0.227 0.000 2.044 415 K HA -0.258 4.061 4.320 -0.001 0.000 0.210 415 K C 2.346 178.835 176.600 -0.184 0.000 1.049 415 K CA 1.811 57.994 56.287 -0.174 0.000 0.927 415 K CB -0.331 32.117 32.500 -0.088 0.000 0.713 415 K HN 0.235 nan 8.250 nan 0.000 0.443 416 R N 0.965 121.393 120.500 -0.120 0.000 2.081 416 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 416 R C 2.359 178.599 176.300 -0.100 0.000 1.131 416 R CA 1.135 57.195 56.100 -0.066 0.000 0.960 416 R CB -0.221 30.087 30.300 0.013 0.000 0.856 416 R HN 0.111 nan 8.270 nan 0.000 0.436 417 L N 0.908 122.044 121.223 -0.145 0.000 2.005 417 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 417 L C 2.318 179.031 176.870 -0.261 0.000 1.072 417 L CA 1.399 56.149 54.840 -0.149 0.000 0.744 417 L CB -0.433 41.571 42.059 -0.093 0.000 0.895 417 L HN 0.260 nan 8.230 nan 0.000 0.433 418 L N -1.245 119.674 121.223 -0.506 0.000 2.081 418 L HA -0.283 4.056 4.340 -0.001 0.000 0.212 418 L C 2.687 179.420 176.870 -0.228 0.000 1.080 418 L CA 1.874 56.445 54.840 -0.448 0.000 0.754 418 L CB -0.328 41.352 42.059 -0.632 0.000 0.893 418 L HN 0.520 nan 8.230 nan 0.000 0.433 419 S N -0.322 115.266 115.700 -0.188 0.000 2.368 419 S HA -0.180 4.290 4.470 -0.001 0.000 0.225 419 S C 1.952 176.512 174.600 -0.066 0.000 1.030 419 S CA 1.177 59.316 58.200 -0.102 0.000 0.999 419 S CB -0.215 62.938 63.200 -0.078 0.000 0.844 419 S HN 0.455 nan 8.310 nan 0.000 0.459 420 L N 0.689 121.872 121.223 -0.067 0.000 2.056 420 L HA -0.072 4.268 4.340 -0.001 0.000 0.207 420 L C 2.396 179.244 176.870 -0.037 0.000 1.078 420 L CA 0.776 55.592 54.840 -0.040 0.000 0.749 420 L CB -0.727 41.314 42.059 -0.030 0.000 0.901 420 L HN 0.345 nan 8.230 nan 0.000 0.433 421 L N -0.671 120.520 121.223 -0.053 0.000 2.046 421 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 421 L C 2.460 179.323 176.870 -0.011 0.000 1.077 421 L CA 1.555 56.373 54.840 -0.037 0.000 0.747 421 L CB -1.303 40.723 42.059 -0.055 0.000 0.896 421 L HN 0.186 nan 8.230 nan 0.000 0.432 422 L N -0.351 120.866 121.223 -0.010 0.000 2.141 422 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 422 L C 2.511 179.411 176.870 0.050 0.000 1.094 422 L CA 1.321 56.196 54.840 0.057 0.000 0.763 422 L CB -1.045 41.023 42.059 0.015 0.000 0.908 422 L HN 0.288 nan 8.230 nan 0.000 0.437 423 K N 0.683 121.086 120.400 0.005 0.000 2.044 423 K HA -0.150 4.169 4.320 -0.001 0.000 0.210 423 K C -0.641 175.948 176.600 -0.018 0.000 1.049 423 K CA 1.910 58.198 56.287 0.001 0.000 0.927 423 K CB -1.560 30.936 32.500 -0.005 0.000 0.713 423 K HN 0.224 nan 8.250 nan 0.000 0.443 424 P HA -0.151 nan 4.420 nan 0.000 0.215 424 P C 1.357 178.571 177.300 -0.145 0.000 1.157 424 P CA 1.072 64.130 63.100 -0.069 0.000 0.863 424 P CB -0.005 31.658 31.700 -0.062 0.000 0.787 425 L N -1.460 119.628 121.223 -0.225 0.000 2.007 425 L HA -0.004 4.336 4.340 -0.001 0.000 0.205 425 L C 1.225 177.639 176.870 -0.761 0.000 1.073 425 L CA 1.735 56.228 54.840 -0.578 0.000 0.744 425 L CB -1.575 40.021 42.059 -0.771 0.000 0.898 425 L HN -0.074 nan 8.230 nan 0.000 0.435 426 F N 0.075 119.990 119.950 -0.058 0.000 2.564 426 F HA 0.321 4.847 4.527 -0.001 0.000 0.361 426 F C -1.448 174.292 175.800 -0.100 0.000 1.161 426 F CA -1.687 56.259 58.000 -0.089 0.000 1.198 426 F CB 0.363 39.261 39.000 -0.170 0.000 1.424 426 F HN -0.073 nan 8.300 nan 0.000 0.517 427 P HA -0.211 nan 4.420 nan 0.000 0.215 427 P C 1.869 179.181 177.300 0.021 0.000 1.153 427 P CA 1.303 64.439 63.100 0.059 0.000 0.853 427 P CB 0.337 32.102 31.700 0.109 0.000 0.788 428 R N -0.604 119.836 120.500 -0.100 0.000 2.083 428 R HA -0.137 4.202 4.340 -0.001 0.000 0.237 428 R C 2.251 178.509 176.300 -0.069 0.000 1.137 428 R CA 1.346 57.317 56.100 -0.215 0.000 0.951 428 R CB -0.961 28.798 30.300 -0.901 0.000 0.851 428 R HN 0.114 nan 8.270 nan 0.000 0.434 429 L N 0.399 121.443 121.223 -0.299 0.000 1.989 429 L HA -0.150 4.189 4.340 -0.001 0.000 0.211 429 L C 2.600 179.424 176.870 -0.076 0.000 1.071 429 L CA 2.114 56.742 54.840 -0.353 0.000 0.749 429 L CB -1.372 40.407 42.059 -0.468 0.000 0.890 429 L HN 0.205 nan 8.230 nan 0.000 0.431 430 A N -0.649 122.149 122.820 -0.038 0.000 1.873 430 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 430 A C 2.501 180.103 177.584 0.031 0.000 1.193 430 A CA 2.471 54.505 52.037 -0.005 0.000 0.629 430 A CB -1.107 17.894 19.000 0.002 0.000 0.826 430 A HN 0.444 nan 8.150 nan 0.000 0.447 431 A N -1.148 121.709 122.820 0.062 0.000 1.859 431 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 431 A C 2.040 179.654 177.584 0.050 0.000 1.198 431 A CA 1.789 53.857 52.037 0.052 0.000 0.629 431 A CB -0.955 18.087 19.000 0.070 0.000 0.830 431 A HN 0.499 nan 8.150 nan 0.000 0.446 432 F N -0.420 119.550 119.950 0.033 0.000 2.046 432 F HA -0.195 4.332 4.527 -0.001 0.000 0.297 432 F C 2.295 178.098 175.800 0.004 0.000 1.123 432 F CA 1.807 59.847 58.000 0.067 0.000 1.199 432 F CB -0.428 38.693 39.000 0.202 0.000 0.972 432 F HN 0.196 nan 8.300 nan 0.000 0.474 433 L N 0.203 121.532 121.223 0.177 0.000 1.978 433 L HA -0.364 3.975 4.340 -0.001 0.000 0.218 433 L C 2.209 179.078 176.870 -0.001 0.000 1.075 433 L CA 2.271 57.137 54.840 0.044 0.000 0.767 433 L CB -0.627 41.422 42.059 -0.016 0.000 0.890 433 L HN 0.218 nan 8.230 nan 0.000 0.434 434 N N 0.146 118.842 118.700 -0.006 0.000 2.348 434 N HA -0.192 4.547 4.740 -0.001 0.000 0.185 434 N C 1.314 176.813 175.510 -0.019 0.000 1.019 434 N CA 1.180 54.218 53.050 -0.019 0.000 0.880 434 N CB -0.070 38.407 38.487 -0.016 0.000 0.965 434 N HN 0.357 nan 8.380 nan 0.000 0.437 435 N N -0.453 118.231 118.700 -0.027 0.000 2.398 435 N HA 0.068 4.808 4.740 -0.001 0.000 0.188 435 N C 0.138 175.644 175.510 -0.006 0.000 1.122 435 N CA 0.254 53.282 53.050 -0.038 0.000 0.866 435 N CB 0.194 38.620 38.487 -0.102 0.000 0.970 435 N HN 0.440 nan 8.380 nan 0.000 0.462 436 M N 0.567 120.158 119.600 -0.016 0.000 2.549 436 M HA 0.153 4.633 4.480 -0.001 0.000 0.273 436 M C -0.049 176.240 176.300 -0.018 0.000 1.213 436 M CA 0.072 55.347 55.300 -0.042 0.000 0.976 436 M CB 0.395 32.886 32.600 -0.183 0.000 1.457 436 M HN -0.173 nan 8.290 nan 0.000 0.485 437 R N 1.674 122.177 120.500 0.004 0.000 2.573 437 R HA 0.486 4.826 4.340 -0.001 0.000 0.272 437 R C -2.484 173.835 176.300 0.031 0.000 1.009 437 R CA -1.682 54.425 56.100 0.011 0.000 1.059 437 R CB 0.258 30.562 30.300 0.008 0.000 1.112 437 R HN -0.039 nan 8.270 nan 0.000 0.517 438 P HA 0.163 nan 4.420 nan 0.000 0.272 438 P C -0.810 176.506 177.300 0.026 0.000 1.223 438 P CA -0.086 63.037 63.100 0.037 0.000 0.784 438 P CB 0.914 32.637 31.700 0.039 0.000 0.923 439 R N 0.242 120.752 120.500 0.017 0.000 2.905 439 R HA 0.552 4.891 4.340 -0.001 0.000 0.260 439 R C 0.081 176.371 176.300 -0.018 0.000 1.086 439 R CA -0.855 55.246 56.100 0.002 0.000 0.978 439 R CB 1.125 31.425 30.300 0.001 0.000 1.215 439 R HN 0.516 nan 8.270 nan 0.000 0.480 440 S N -0.126 115.551 115.700 -0.038 0.000 2.632 440 S HA 0.360 4.830 4.470 -0.001 0.000 0.271 440 S C 1.113 175.635 174.600 -0.130 0.000 1.260 440 S CA -0.245 57.908 58.200 -0.078 0.000 1.010 440 S CB 1.679 64.829 63.200 -0.084 0.000 0.965 440 S HN 0.737 nan 8.310 nan 0.000 0.534 441 A N 1.036 123.737 122.820 -0.199 0.000 1.948 441 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 441 A C 2.099 179.356 177.584 -0.546 0.000 1.177 441 A CA 2.002 53.833 52.037 -0.343 0.000 0.636 441 A CB -1.281 17.477 19.000 -0.403 0.000 0.815 441 A HN 1.038 nan 8.150 nan 0.000 0.449 442 E N -0.151 119.771 120.200 -0.464 0.000 2.058 442 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 442 E C 1.959 178.487 176.600 -0.120 0.000 0.997 442 E CA 1.649 57.828 56.400 -0.367 0.000 0.801 442 E CB -0.144 29.433 29.700 -0.205 0.000 0.746 442 E HN 0.630 nan 8.360 nan 0.000 0.450 443 K N 0.289 120.643 120.400 -0.076 0.000 2.211 443 K HA -0.072 4.248 4.320 -0.001 0.000 0.203 443 K C 2.246 178.869 176.600 0.038 0.000 1.050 443 K CA 0.597 56.886 56.287 0.003 0.000 0.945 443 K CB -0.063 32.435 32.500 -0.003 0.000 0.732 443 K HN 0.261 nan 8.250 nan 0.000 0.451 444 L N -0.134 121.095 121.223 0.010 0.000 2.027 444 L HA -0.176 4.164 4.340 -0.001 0.000 0.206 444 L C 1.918 178.920 176.870 0.220 0.000 1.074 444 L CA 1.212 56.098 54.840 0.078 0.000 0.745 444 L CB -0.232 41.858 42.059 0.051 0.000 0.898 444 L HN 0.346 nan 8.230 nan 0.000 0.433 445 W N 0.607 121.927 121.300 0.033 0.000 2.318 445 W HA -0.256 4.404 4.660 -0.000 0.000 0.313 445 W C 2.663 179.226 176.519 0.073 0.000 1.221 445 W CA 1.214 58.584 57.345 0.041 0.000 1.266 445 W CB -0.952 28.524 29.460 0.026 0.000 1.150 445 W HN 0.171 nan 8.180 nan 0.000 0.496 446 K N -0.054 120.537 120.400 0.318 0.000 2.063 446 K HA -0.222 4.098 4.320 -0.001 0.000 0.208 446 K C 2.111 178.828 176.600 0.195 0.000 1.048 446 K CA 1.601 58.034 56.287 0.243 0.000 0.928 446 K CB -0.599 32.004 32.500 0.171 0.000 0.713 446 K HN 0.008 nan 8.250 nan 0.000 0.442 447 L N 1.591 122.900 121.223 0.142 0.000 2.017 447 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 447 L C 2.493 179.415 176.870 0.087 0.000 1.073 447 L CA 1.917 56.803 54.840 0.078 0.000 0.745 447 L CB -0.700 41.382 42.059 0.038 0.000 0.894 447 L HN 0.260 nan 8.230 nan 0.000 0.432 448 Q N -1.564 118.315 119.800 0.132 0.000 2.119 448 Q HA -0.276 4.063 4.340 -0.001 0.000 0.201 448 Q C 2.256 178.348 176.000 0.153 0.000 0.972 448 Q CA 1.909 57.784 55.803 0.119 0.000 0.847 448 Q CB -0.434 28.381 28.738 0.129 0.000 0.903 448 Q HN 0.690 nan 8.270 nan 0.000 0.433 449 H N 0.459 119.570 119.070 0.067 0.000 2.353 449 H HA -0.043 4.512 4.556 -0.001 0.000 0.300 449 H C 1.520 176.894 175.328 0.076 0.000 1.090 449 H CA 2.187 58.270 56.048 0.058 0.000 1.327 449 H CB 0.022 29.820 29.762 0.061 0.000 1.383 449 H HN 0.484 nan 8.280 nan 0.000 0.508 450 E N -0.288 119.922 120.200 0.018 0.000 2.118 450 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 450 E C 2.423 179.054 176.600 0.052 0.000 0.992 450 E CA 1.314 57.712 56.400 -0.004 0.000 0.804 450 E CB -0.062 29.686 29.700 0.079 0.000 0.741 450 E HN 0.518 nan 8.360 nan 0.000 0.458 451 I N 1.012 121.605 120.570 0.039 0.000 2.226 451 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 451 I C 2.183 178.353 176.117 0.088 0.000 1.100 451 I CA 1.215 62.545 61.300 0.050 0.000 1.374 451 I CB -0.205 37.803 38.000 0.013 0.000 1.057 451 I HN 0.087 nan 8.210 nan 0.000 0.413 452 E N 0.497 120.746 120.200 0.082 0.000 2.058 452 E HA -0.255 4.094 4.350 -0.001 0.000 0.194 452 E C 2.291 178.931 176.600 0.067 0.000 0.997 452 E CA 1.556 58.010 56.400 0.089 0.000 0.801 452 E CB -0.115 29.667 29.700 0.137 0.000 0.746 452 E HN 0.448 nan 8.360 nan 0.000 0.450 453 M N -0.709 118.906 119.600 0.024 0.000 2.156 453 M HA -0.140 4.340 4.480 -0.001 0.000 0.264 453 M C 2.155 178.498 176.300 0.071 0.000 1.067 453 M CA 1.212 56.516 55.300 0.006 0.000 1.131 453 M CB -0.253 32.286 32.600 -0.102 0.000 1.368 453 M HN 0.184 nan 8.290 nan 0.000 0.416 454 Y N 0.814 121.125 120.300 0.019 0.000 2.207 454 Y HA -0.280 4.270 4.550 -0.001 0.000 0.287 454 Y C 2.601 178.508 175.900 0.011 0.000 1.156 454 Y CA 1.673 59.797 58.100 0.041 0.000 1.182 454 Y CB -0.082 38.419 38.460 0.068 0.000 0.979 454 Y HN 0.091 nan 8.280 nan 0.000 0.521 455 R N -0.300 120.181 120.500 -0.031 0.000 2.066 455 R HA -0.163 4.177 4.340 -0.001 0.000 0.232 455 R C 2.235 178.514 176.300 -0.036 0.000 1.131 455 R CA 1.528 57.586 56.100 -0.071 0.000 0.955 455 R CB -0.107 30.217 30.300 0.039 0.000 0.851 455 R HN 0.353 nan 8.270 nan 0.000 0.432 456 Q N 0.003 119.802 119.800 -0.001 0.000 2.124 456 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 456 Q C 2.075 178.069 176.000 -0.009 0.000 0.977 456 Q CA 1.564 57.375 55.803 0.014 0.000 0.850 456 Q CB -0.406 28.348 28.738 0.026 0.000 0.901 456 Q HN 0.239 nan 8.270 nan 0.000 0.429 457 S N -0.017 115.644 115.700 -0.064 0.000 2.359 457 S HA -0.128 4.342 4.470 -0.001 0.000 0.224 457 S C 2.034 176.590 174.600 -0.073 0.000 1.035 457 S CA 1.498 59.651 58.200 -0.077 0.000 1.018 457 S CB -0.080 63.052 63.200 -0.114 0.000 0.876 457 S HN 0.203 nan 8.310 nan 0.000 0.448 458 V N 1.870 121.678 119.914 -0.176 0.000 2.379 458 V HA -0.084 4.036 4.120 -0.001 0.000 0.245 458 V C 2.258 178.501 176.094 0.248 0.000 1.044 458 V CA 1.686 63.971 62.300 -0.024 0.000 1.036 458 V CB -0.664 31.049 31.823 -0.184 0.000 0.664 458 V HN 0.496 nan 8.190 nan 0.000 0.453 459 I N 0.810 121.496 120.570 0.193 0.000 2.208 459 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 459 I C 2.654 178.890 176.117 0.198 0.000 1.097 459 I CA 1.640 63.041 61.300 0.169 0.000 1.363 459 I CB -0.554 37.474 38.000 0.047 0.000 1.051 459 I HN 0.300 nan 8.210 nan 0.000 0.413 460 A N -0.186 122.721 122.820 0.144 0.000 1.933 460 A HA -0.272 4.047 4.320 -0.001 0.000 0.218 460 A C 2.326 180.026 177.584 0.194 0.000 1.175 460 A CA 1.725 53.842 52.037 0.133 0.000 0.628 460 A CB -0.625 18.420 19.000 0.075 0.000 0.814 460 A HN 0.518 nan 8.150 nan 0.000 0.444 461 Q N -1.487 118.456 119.800 0.238 0.000 2.079 461 Q HA -0.183 4.157 4.340 -0.001 0.000 0.200 461 Q C 2.007 178.318 176.000 0.518 0.000 0.974 461 Q CA 1.427 57.400 55.803 0.284 0.000 0.840 461 Q CB -0.275 28.586 28.738 0.205 0.000 0.898 461 Q HN 0.859 nan 8.270 nan 0.000 0.430 462 W N 1.782 123.297 121.300 0.359 0.000 2.335 462 W HA -0.199 4.461 4.660 -0.001 0.000 0.311 462 W C 1.363 177.910 176.519 0.047 0.000 1.213 462 W CA 1.574 59.005 57.345 0.143 0.000 1.274 462 W CB -0.080 29.429 29.460 0.083 0.000 1.148 462 W HN 0.122 nan 8.180 nan 0.000 0.498 463 K N 0.046 120.697 120.400 0.419 0.000 2.155 463 K HA -0.044 4.275 4.320 -0.001 0.000 0.203 463 K C 2.264 178.958 176.600 0.156 0.000 1.052 463 K CA 1.131 57.572 56.287 0.257 0.000 0.948 463 K CB -0.625 31.982 32.500 0.178 0.000 0.728 463 K HN 0.054 nan 8.250 nan 0.000 0.448 464 A N 1.611 124.528 122.820 0.161 0.000 1.948 464 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 464 A C 2.024 179.666 177.584 0.095 0.000 1.177 464 A CA 1.584 53.689 52.037 0.114 0.000 0.636 464 A CB -0.296 18.773 19.000 0.115 0.000 0.815 464 A HN 0.150 nan 8.150 nan 0.000 0.449 465 M N -1.599 118.068 119.600 0.112 0.000 2.495 465 M HA 0.100 4.579 4.480 -0.001 0.000 0.237 465 M C 0.664 176.946 176.300 -0.030 0.000 1.131 465 M CA 0.380 55.710 55.300 0.050 0.000 1.032 465 M CB -1.198 31.457 32.600 0.092 0.000 1.513 465 M HN 0.619 nan 8.290 nan 0.000 0.488 466 N N 1.611 120.309 118.700 -0.002 0.000 2.725 466 N HA -0.173 4.567 4.740 -0.001 0.000 0.251 466 N C -1.079 174.369 175.510 -0.104 0.000 1.031 466 N CA 0.228 53.275 53.050 -0.004 0.000 0.720 466 N CB -1.271 37.221 38.487 0.007 0.000 0.930 466 N HN 0.392 nan 8.380 nan 0.000 0.543 467 L N -0.322 120.717 121.223 -0.306 0.000 2.452 467 L HA 0.180 4.520 4.340 -0.001 0.000 0.267 467 L C 1.437 178.172 176.870 -0.226 0.000 1.188 467 L CA -0.428 54.082 54.840 -0.549 0.000 0.821 467 L CB 0.422 41.642 42.059 -1.398 0.000 1.102 467 L HN 0.209 nan 8.230 nan 0.000 0.470 468 D N 0.320 120.599 120.400 -0.202 0.000 2.262 468 D HA 0.118 4.758 4.640 -0.001 0.000 0.212 468 D C 0.094 176.421 176.300 0.044 0.000 0.964 468 D CA 0.963 54.947 54.000 -0.026 0.000 0.875 468 D CB 1.131 41.873 40.800 -0.097 0.000 0.996 468 D HN 0.195 nan 8.370 nan 0.000 0.497 469 V N 0.148 119.900 119.914 -0.270 0.000 3.258 469 V HA 0.425 4.545 4.120 -0.001 0.000 0.299 469 V C -2.127 173.665 176.094 -0.504 0.000 1.376 469 V CA -0.863 61.273 62.300 -0.275 0.000 1.063 469 V CB 2.895 34.358 31.823 -0.599 0.000 1.103 469 V HN -0.067 nan 8.190 nan 0.000 0.451 470 L N 3.810 124.901 121.223 -0.221 0.000 2.404 470 L HA 0.711 5.051 4.340 -0.001 0.000 0.272 470 L C -1.292 175.639 176.870 0.101 0.000 0.980 470 L CA -0.268 54.493 54.840 -0.132 0.000 0.836 470 L CB 1.479 43.537 42.059 -0.002 0.000 1.238 470 L HN 0.704 nan 8.230 nan 0.000 0.408 471 L N 4.648 125.949 121.223 0.130 0.000 2.276 471 L HA 0.753 5.093 4.340 -0.001 0.000 0.286 471 L C -0.319 176.529 176.870 -0.037 0.000 1.061 471 L CA 0.737 55.682 54.840 0.176 0.000 0.807 471 L CB 1.426 43.635 42.059 0.251 0.000 1.177 471 L HN 0.744 nan 8.230 nan 0.000 0.429 472 T N 5.777 120.258 114.554 -0.121 0.000 2.903 472 T HA 0.572 4.921 4.350 -0.001 0.000 0.299 472 T C -2.760 171.825 174.700 -0.192 0.000 1.093 472 T CA -1.117 60.790 62.100 -0.321 0.000 1.002 472 T CB 2.139 70.906 68.868 -0.167 0.000 1.127 472 T HN 0.369 nan 8.240 nan 0.000 0.488 473 P HA 0.425 nan 4.420 nan 0.000 0.272 473 P C -1.017 176.097 177.300 -0.309 0.000 1.223 473 P CA -0.611 62.312 63.100 -0.294 0.000 0.784 473 P CB 0.466 31.879 31.700 -0.478 0.000 0.923 474 M N 3.155 122.620 119.600 -0.225 0.000 2.465 474 M HA 0.416 4.896 4.480 -0.001 0.000 0.316 474 M C -1.372 174.898 176.300 -0.051 0.000 1.121 474 M CA -1.508 53.729 55.300 -0.104 0.000 0.934 474 M CB 1.107 33.680 32.600 -0.046 0.000 1.692 474 M HN 0.064 nan 8.290 nan 0.000 0.444 475 L N 4.191 125.476 121.223 0.103 0.000 2.559 475 L HA 0.562 4.902 4.340 -0.001 0.000 0.282 475 L C 0.133 177.186 176.870 0.305 0.000 1.232 475 L CA 1.484 56.478 54.840 0.257 0.000 0.885 475 L CB -0.106 42.248 42.059 0.491 0.000 1.131 475 L HN 0.878 nan 8.230 nan 0.000 0.498 476 G N 4.628 113.520 108.800 0.154 0.000 2.377 476 G HA2 0.372 4.332 3.960 -0.001 0.000 0.297 476 G HA3 0.372 4.332 3.960 -0.001 0.000 0.297 476 G C -3.280 171.565 174.900 -0.093 0.000 1.547 476 G CA -0.655 44.452 45.100 0.012 0.000 0.833 476 G HN 0.527 nan 8.290 nan 0.000 0.583 477 P HA 0.490 nan 4.420 nan 0.000 0.289 477 P C 0.453 177.406 177.300 -0.578 0.000 1.299 477 P CA 0.074 62.994 63.100 -0.300 0.000 0.766 477 P CB 0.621 32.169 31.700 -0.254 0.000 1.226 478 A N 0.278 122.648 122.820 -0.750 0.000 2.567 478 A HA 0.128 4.448 4.320 -0.001 0.000 0.240 478 A C 0.273 177.494 177.584 -0.605 0.000 1.053 478 A CA 0.180 51.572 52.037 -1.075 0.000 0.755 478 A CB -1.151 17.520 19.000 -0.549 0.000 0.978 478 A HN 0.388 nan 8.150 nan 0.000 0.507 479 L N 2.438 123.329 121.223 -0.555 0.000 2.453 479 L HA 0.225 4.565 4.340 -0.001 0.000 0.261 479 L C 0.555 177.333 176.870 -0.154 0.000 1.179 479 L CA 0.255 54.959 54.840 -0.227 0.000 0.813 479 L CB 0.271 42.276 42.059 -0.091 0.000 1.110 479 L HN 0.668 nan 8.230 nan 0.000 0.466 480 D N 0.710 121.042 120.400 -0.113 0.000 2.378 480 D HA 0.124 4.764 4.640 -0.001 0.000 0.238 480 D C -0.105 176.155 176.300 -0.068 0.000 1.180 480 D CA -0.332 53.620 54.000 -0.080 0.000 0.895 480 D CB 0.354 41.114 40.800 -0.066 0.000 1.192 480 D HN 0.089 nan 8.370 nan 0.000 0.438 481 L N 2.799 123.994 121.223 -0.047 0.000 2.573 481 L HA -0.119 4.221 4.340 -0.001 0.000 0.290 481 L C 1.041 177.877 176.870 -0.057 0.000 1.247 481 L CA 0.662 55.478 54.840 -0.040 0.000 0.876 481 L CB -0.610 41.434 42.059 -0.025 0.000 1.123 481 L HN 0.531 nan 8.230 nan 0.000 0.505 482 N N 0.882 119.542 118.700 -0.067 0.000 2.714 482 N HA -0.226 4.513 4.740 -0.001 0.000 0.250 482 N C 1.097 176.550 175.510 -0.095 0.000 1.117 482 N CA 1.174 54.178 53.050 -0.075 0.000 0.719 482 N CB -0.807 37.650 38.487 -0.049 0.000 1.081 482 N HN 0.925 nan 8.380 nan 0.000 0.557 483 T N -4.423 110.056 114.554 -0.126 0.000 2.999 483 T HA 0.167 4.516 4.350 -0.001 0.000 0.247 483 T C -1.185 173.379 174.700 -0.226 0.000 1.012 483 T CA 0.205 62.224 62.100 -0.134 0.000 1.048 483 T CB -0.003 68.807 68.868 -0.097 0.000 1.020 483 T HN -0.098 nan 8.240 nan 0.000 0.478 484 P HA -0.057 nan 4.420 nan 0.000 0.216 484 P C 1.851 178.791 177.300 -0.599 0.000 1.157 484 P CA 1.843 64.434 63.100 -0.848 0.000 0.880 484 P CB -0.745 30.110 31.700 -1.408 0.000 0.791 485 G N -0.936 107.635 108.800 -0.382 0.000 2.516 485 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.221 485 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.221 485 G C 1.452 176.254 174.900 -0.164 0.000 1.107 485 G CA 0.489 45.461 45.100 -0.214 0.000 0.747 485 G HN 0.311 nan 8.290 nan 0.000 0.567 486 R N -0.573 119.828 120.500 -0.165 0.000 2.508 486 R HA 0.409 4.748 4.340 -0.001 0.000 0.300 486 R C 0.460 176.677 176.300 -0.139 0.000 0.970 486 R CA 0.256 56.304 56.100 -0.086 0.000 1.102 486 R CB 0.901 31.191 30.300 -0.017 0.000 1.246 486 R HN 0.197 nan 8.270 nan 0.000 0.539 487 A N 0.334 122.993 122.820 -0.269 0.000 3.204 487 A HA 0.240 4.560 4.320 -0.001 0.000 0.327 487 A C 0.557 177.875 177.584 -0.444 0.000 0.998 487 A CA -0.470 51.400 52.037 -0.279 0.000 0.891 487 A CB 0.311 19.292 19.000 -0.031 0.000 1.061 487 A HN 0.015 nan 8.150 nan 0.000 0.478 488 T N -0.139 113.736 114.554 -1.132 0.000 2.857 488 T HA -0.061 4.289 4.350 -0.001 0.000 0.266 488 T C 2.086 176.304 174.700 -0.804 0.000 1.048 488 T CA 1.792 63.303 62.100 -0.981 0.000 1.139 488 T CB -0.042 68.038 68.868 -1.313 0.000 0.874 488 T HN 0.683 nan 8.240 nan 0.000 0.455 489 G N 1.072 109.279 108.800 -0.989 0.000 2.498 489 G HA2 0.007 3.966 3.960 -0.001 0.000 0.219 489 G HA3 0.007 3.966 3.960 -0.001 0.000 0.219 489 G C 1.488 176.473 174.900 0.141 0.000 1.119 489 G CA 0.660 45.665 45.100 -0.158 0.000 0.766 489 G HN 0.590 nan 8.290 nan 0.000 0.552 490 A N 0.020 122.888 122.820 0.080 0.000 2.235 490 A HA 0.371 4.690 4.320 -0.001 0.000 0.208 490 A C 2.008 179.714 177.584 0.202 0.000 1.172 490 A CA 0.471 52.640 52.037 0.220 0.000 0.786 490 A CB 0.001 19.141 19.000 0.232 0.000 0.804 490 A HN 0.198 nan 8.150 nan 0.000 0.479 491 V N 0.937 120.921 119.914 0.115 0.000 3.510 491 V HA -0.157 3.963 4.120 -0.001 0.000 0.270 491 V C 2.628 178.807 176.094 0.142 0.000 1.201 491 V CA 1.576 63.980 62.300 0.173 0.000 1.166 491 V CB -0.891 30.994 31.823 0.103 0.000 0.825 491 V HN 0.824 nan 8.190 nan 0.000 0.484 492 S N 0.147 115.937 115.700 0.150 0.000 2.365 492 S HA -0.302 4.168 4.470 -0.001 0.000 0.225 492 S C 1.883 176.449 174.600 -0.056 0.000 1.039 492 S CA 1.727 59.932 58.200 0.007 0.000 1.033 492 S CB -0.809 62.421 63.200 0.051 0.000 0.887 492 S HN 0.560 nan 8.310 nan 0.000 0.447 493 Y N 3.138 123.552 120.300 0.190 0.000 2.333 493 Y HA -0.066 4.484 4.550 -0.000 0.000 0.290 493 Y C 3.178 179.177 175.900 0.165 0.000 1.144 493 Y CA 1.383 59.613 58.100 0.216 0.000 1.228 493 Y CB -0.882 37.701 38.460 0.205 0.000 0.985 493 Y HN 0.627 nan 8.280 nan 0.000 0.542 494 T N -3.710 110.909 114.554 0.108 0.000 3.045 494 T HA -0.064 4.286 4.350 -0.001 0.000 0.239 494 T C 1.850 176.548 174.700 -0.003 0.000 1.008 494 T CA 0.642 62.722 62.100 -0.034 0.000 1.143 494 T CB -0.630 67.941 68.868 -0.496 0.000 0.894 494 T HN 0.251 nan 8.240 nan 0.000 0.451 495 M N 1.078 120.650 119.600 -0.048 0.000 2.202 495 M HA 0.068 4.548 4.480 -0.001 0.000 0.262 495 M C 2.045 178.275 176.300 -0.117 0.000 1.063 495 M CA 1.121 56.385 55.300 -0.059 0.000 1.097 495 M CB -0.596 31.990 32.600 -0.024 0.000 1.382 495 M HN 0.230 nan 8.290 nan 0.000 0.413 496 L N -0.014 121.089 121.223 -0.200 0.000 2.034 496 L HA -0.263 4.076 4.340 -0.001 0.000 0.217 496 L C 1.638 178.214 176.870 -0.489 0.000 1.077 496 L CA 2.169 56.760 54.840 -0.415 0.000 0.769 496 L CB -1.045 40.636 42.059 -0.630 0.000 0.890 496 L HN 0.491 nan 8.230 nan 0.000 0.435 497 Y N -1.303 118.974 120.300 -0.039 0.000 2.517 497 Y HA 0.039 4.589 4.550 -0.000 0.000 0.281 497 Y C 2.191 178.060 175.900 -0.052 0.000 1.125 497 Y CA 0.720 58.788 58.100 -0.053 0.000 1.283 497 Y CB -0.661 37.825 38.460 0.044 0.000 1.042 497 Y HN 0.330 nan 8.280 nan 0.000 0.547 498 N N -0.495 118.225 118.700 0.033 0.000 2.058 498 N HA -0.220 4.520 4.740 -0.001 0.000 0.191 498 N C 1.970 177.454 175.510 -0.045 0.000 1.037 498 N CA 1.699 54.743 53.050 -0.010 0.000 0.848 498 N CB -0.705 37.764 38.487 -0.030 0.000 1.021 498 N HN 0.316 nan 8.380 nan 0.000 0.422 499 C N 0.862 120.109 119.300 -0.089 0.000 2.367 499 C HA -0.109 4.351 4.460 -0.001 0.000 0.276 499 C C 2.309 177.253 174.990 -0.077 0.000 1.195 499 C CA 0.887 59.846 59.018 -0.098 0.000 1.756 499 C CB -1.292 26.358 27.740 -0.150 0.000 2.046 499 C HN 0.433 nan 8.230 nan 0.000 0.453 500 L N 0.243 121.371 121.223 -0.158 0.000 2.465 500 L HA 0.006 4.346 4.340 -0.001 0.000 0.224 500 L C 0.928 177.748 176.870 -0.082 0.000 1.145 500 L CA 1.287 55.960 54.840 -0.278 0.000 0.834 500 L CB -0.605 40.940 42.059 -0.856 0.000 0.944 500 L HN 0.435 nan 8.230 nan 0.000 0.451 501 D N 0.156 120.560 120.400 0.008 0.000 2.737 501 D HA -0.258 4.381 4.640 -0.001 0.000 0.238 501 D C -0.479 175.962 176.300 0.235 0.000 1.157 501 D CA 0.670 54.710 54.000 0.066 0.000 0.694 501 D CB -1.171 39.630 40.800 0.001 0.000 1.021 501 D HN 0.170 nan 8.370 nan 0.000 0.420 502 F N 0.051 119.987 119.950 -0.024 0.000 2.458 502 F HA 0.469 4.996 4.527 -0.001 0.000 0.330 502 F C -1.455 174.310 175.800 -0.058 0.000 1.082 502 F CA -2.393 55.576 58.000 -0.052 0.000 0.995 502 F CB 1.984 41.036 39.000 0.087 0.000 1.170 502 F HN -0.130 nan 8.300 nan 0.000 0.478 503 P HA 0.213 nan 4.420 nan 0.000 0.271 503 P C -1.435 175.888 177.300 0.038 0.000 1.216 503 P CA -0.049 63.057 63.100 0.009 0.000 0.776 503 P CB 1.369 33.049 31.700 -0.033 0.000 0.881 504 A N 2.088 124.918 122.820 0.017 0.000 2.517 504 A HA 0.741 5.061 4.320 -0.001 0.000 0.297 504 A C -0.523 177.048 177.584 -0.020 0.000 1.050 504 A CA -0.374 51.647 52.037 -0.028 0.000 0.694 504 A CB 1.583 20.549 19.000 -0.057 0.000 1.277 504 A HN 0.623 nan 8.150 nan 0.000 0.400 505 G N -0.526 108.258 108.800 -0.027 0.000 2.680 505 G HA2 0.663 4.622 3.960 -0.001 0.000 0.290 505 G HA3 0.663 4.622 3.960 -0.001 0.000 0.290 505 G C -1.795 173.075 174.900 -0.050 0.000 1.355 505 G CA -0.691 44.393 45.100 -0.026 0.000 0.903 505 G HN 1.239 nan 8.290 nan 0.000 0.474 506 V N 0.419 120.305 119.914 -0.047 0.000 2.525 506 V HA 0.624 4.744 4.120 -0.001 0.000 0.299 506 V C -0.575 175.492 176.094 -0.044 0.000 1.034 506 V CA -0.719 61.549 62.300 -0.053 0.000 0.863 506 V CB 1.596 33.389 31.823 -0.050 0.000 0.999 506 V HN 0.966 nan 8.190 nan 0.000 0.423 507 V N 6.991 126.866 119.914 -0.064 0.000 2.604 507 V HA 0.800 4.919 4.120 -0.001 0.000 0.305 507 V C -2.690 173.377 176.094 -0.046 0.000 1.043 507 V CA -2.483 59.786 62.300 -0.052 0.000 0.888 507 V CB 2.617 34.393 31.823 -0.078 0.000 0.995 507 V HN 0.736 nan 8.190 nan 0.000 0.429 508 P HA 0.303 nan 4.420 nan 0.000 0.276 508 P C 0.320 177.600 177.300 -0.033 0.000 1.230 508 P CA 0.181 63.267 63.100 -0.023 0.000 0.776 508 P CB 1.320 33.024 31.700 0.006 0.000 0.888 509 V N -0.203 119.682 119.914 -0.047 0.000 3.497 509 V HA 0.366 4.485 4.120 -0.001 0.000 0.272 509 V C 0.382 176.451 176.094 -0.042 0.000 1.474 509 V CA 0.665 62.936 62.300 -0.048 0.000 1.025 509 V CB 0.378 32.164 31.823 -0.062 0.000 0.820 509 V HN 0.590 nan 8.190 nan 0.000 0.437 510 T N 0.545 115.067 114.554 -0.054 0.000 2.693 510 T HA 0.608 4.957 4.350 -0.001 0.000 0.304 510 T C -1.103 173.546 174.700 -0.085 0.000 1.471 510 T CA 0.576 62.643 62.100 -0.054 0.000 0.993 510 T CB 1.711 70.549 68.868 -0.049 0.000 1.554 510 T HN 0.935 nan 8.240 nan 0.000 0.496 511 T N -0.775 113.730 114.554 -0.082 0.000 2.903 511 T HA 0.664 5.014 4.350 -0.001 0.000 0.299 511 T C -0.592 174.053 174.700 -0.092 0.000 1.093 511 T CA -0.711 61.316 62.100 -0.122 0.000 1.002 511 T CB 1.094 69.883 68.868 -0.131 0.000 1.127 511 T HN 0.534 nan 8.240 nan 0.000 0.488 512 V N 3.601 123.449 119.914 -0.111 0.000 2.493 512 V HA 0.308 4.428 4.120 -0.001 0.000 0.292 512 V C 1.467 177.527 176.094 -0.055 0.000 1.016 512 V CA 0.006 62.256 62.300 -0.083 0.000 1.097 512 V CB -0.278 31.486 31.823 -0.099 0.000 0.947 512 V HN 1.187 nan 8.190 nan 0.000 0.479 513 T N 2.549 117.080 114.554 -0.038 0.000 2.847 513 T HA 0.563 4.913 4.350 -0.001 0.000 0.279 513 T C 1.386 176.074 174.700 -0.020 0.000 0.984 513 T CA -0.117 61.970 62.100 -0.023 0.000 0.988 513 T CB 1.637 70.496 68.868 -0.015 0.000 1.040 513 T HN 0.701 nan 8.240 nan 0.000 0.528 514 A N -0.020 122.793 122.820 -0.012 0.000 1.940 514 A HA -0.122 4.198 4.320 -0.001 0.000 0.219 514 A C 2.288 179.867 177.584 -0.008 0.000 1.176 514 A CA 1.969 54.000 52.037 -0.010 0.000 0.631 514 A CB -1.167 17.830 19.000 -0.005 0.000 0.814 514 A HN 1.019 nan 8.150 nan 0.000 0.446 515 E N -0.350 119.847 120.200 -0.005 0.000 2.077 515 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 515 E C 1.344 177.943 176.600 -0.002 0.000 0.989 515 E CA 1.282 57.681 56.400 -0.001 0.000 0.800 515 E CB -0.119 29.582 29.700 0.001 0.000 0.746 515 E HN 0.594 nan 8.360 nan 0.000 0.452 516 D N 0.449 120.844 120.400 -0.008 0.000 2.097 516 D HA -0.171 4.468 4.640 -0.001 0.000 0.195 516 D C 1.634 177.926 176.300 -0.013 0.000 0.989 516 D CA 1.283 55.277 54.000 -0.010 0.000 0.827 516 D CB -0.364 40.422 40.800 -0.024 0.000 0.966 516 D HN 0.199 nan 8.370 nan 0.000 0.456 517 D N 0.254 120.641 120.400 -0.022 0.000 2.123 517 D HA -0.108 4.532 4.640 -0.001 0.000 0.196 517 D C 1.994 178.286 176.300 -0.014 0.000 0.992 517 D CA 1.525 55.508 54.000 -0.028 0.000 0.833 517 D CB 0.029 40.810 40.800 -0.031 0.000 0.954 517 D HN 0.115 nan 8.370 nan 0.000 0.455 518 A N 0.003 122.820 122.820 -0.006 0.000 1.902 518 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 518 A C 2.120 179.712 177.584 0.013 0.000 1.181 518 A CA 1.585 53.624 52.037 0.003 0.000 0.623 518 A CB -0.705 18.298 19.000 0.004 0.000 0.818 518 A HN 0.287 nan 8.150 nan 0.000 0.443 519 Q N -1.839 117.971 119.800 0.017 0.000 2.224 519 Q HA -0.131 4.209 4.340 -0.001 0.000 0.203 519 Q C 1.957 177.991 176.000 0.056 0.000 0.970 519 Q CA 1.401 57.224 55.803 0.033 0.000 0.865 519 Q CB -0.238 28.520 28.738 0.034 0.000 0.922 519 Q HN 0.616 nan 8.270 nan 0.000 0.445 520 M N 0.750 120.376 119.600 0.043 0.000 2.260 520 M HA -0.206 4.273 4.480 -0.001 0.000 0.261 520 M C 1.415 177.760 176.300 0.074 0.000 1.066 520 M CA 1.530 56.861 55.300 0.052 0.000 1.082 520 M CB 0.023 32.607 32.600 -0.026 0.000 1.388 520 M HN 0.075 nan 8.290 nan 0.000 0.419 521 E N -0.914 119.316 120.200 0.049 0.000 2.427 521 E HA -0.041 4.308 4.350 -0.001 0.000 0.196 521 E C 1.255 177.893 176.600 0.064 0.000 1.028 521 E CA 0.529 56.958 56.400 0.048 0.000 0.864 521 E CB -0.055 29.660 29.700 0.026 0.000 0.813 521 E HN 0.558 nan 8.360 nan 0.000 0.514 522 L N 0.121 121.388 121.223 0.073 0.000 2.607 522 L HA 0.125 4.464 4.340 -0.001 0.000 0.228 522 L C 0.391 177.309 176.870 0.081 0.000 1.123 522 L CA -0.468 54.408 54.840 0.061 0.000 0.890 522 L CB -0.151 41.932 42.059 0.039 0.000 1.103 522 L HN 0.152 nan 8.230 nan 0.000 0.468 523 Y N 2.189 122.483 120.300 -0.010 0.000 2.805 523 Y HA -0.161 4.388 4.550 -0.001 0.000 0.331 523 Y C 1.295 177.182 175.900 -0.022 0.000 1.241 523 Y CA 0.845 58.933 58.100 -0.020 0.000 1.546 523 Y CB 0.430 38.881 38.460 -0.014 0.000 1.248 523 Y HN -0.023 nan 8.280 nan 0.000 0.559 524 K N 4.265 124.413 120.400 -0.421 0.000 2.262 524 K HA 0.313 4.633 4.320 -0.001 0.000 0.200 524 K C 0.495 176.853 176.600 -0.403 0.000 1.058 524 K CA 0.552 56.661 56.287 -0.296 0.000 0.974 524 K CB 0.225 32.606 32.500 -0.198 0.000 0.910 524 K HN 0.997 nan 8.250 nan 0.000 0.484 525 G N 0.287 108.615 108.800 -0.788 0.000 2.705 525 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.686 525 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.686 525 G C -0.199 174.473 174.900 -0.381 0.000 1.285 525 G CA -0.480 44.293 45.100 -0.545 0.000 0.800 525 G HN 0.110 nan 8.290 nan 0.000 0.611 526 Y N 0.512 120.731 120.300 -0.135 0.000 2.286 526 Y HA 0.220 4.770 4.550 -0.001 0.000 0.293 526 Y C 2.632 178.294 175.900 -0.397 0.000 1.124 526 Y CA 1.906 59.813 58.100 -0.321 0.000 1.178 526 Y CB -0.315 37.845 38.460 -0.500 0.000 1.010 526 Y HN 0.516 nan 8.280 nan 0.000 0.536 527 F N -1.492 118.510 119.950 0.085 0.000 2.530 527 F HA 0.297 4.824 4.527 -0.001 0.000 0.292 527 F C 2.113 177.944 175.800 0.052 0.000 1.109 527 F CA 0.706 58.734 58.000 0.047 0.000 1.450 527 F CB -0.384 38.628 39.000 0.019 0.000 1.114 527 F HN 0.048 nan 8.300 nan 0.000 0.560 528 G N 0.997 109.930 108.800 0.220 0.000 2.153 528 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.252 528 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.252 528 G C -0.297 174.736 174.900 0.221 0.000 0.994 528 G CA 0.441 45.638 45.100 0.162 0.000 0.698 528 G HN 0.459 nan 8.290 nan 0.000 0.521 529 D N -0.219 120.321 120.400 0.234 0.000 2.388 529 D HA 0.482 5.122 4.640 -0.001 0.000 0.254 529 D C 2.042 178.312 176.300 -0.049 0.000 1.111 529 D CA -0.656 53.419 54.000 0.126 0.000 0.993 529 D CB 0.256 41.067 40.800 0.018 0.000 1.118 529 D HN 0.490 nan 8.370 nan 0.000 0.502 530 I N -1.172 119.233 120.570 -0.276 0.000 2.229 530 I HA -0.259 3.911 4.170 -0.001 0.000 0.250 530 I C 1.038 177.196 176.117 0.069 0.000 1.096 530 I CA 1.522 62.729 61.300 -0.155 0.000 1.358 530 I CB -1.027 36.825 38.000 -0.247 0.000 1.047 530 I HN 0.403 nan 8.210 nan 0.000 0.422 531 W N 1.865 123.124 121.300 -0.068 0.000 2.388 531 W HA -0.109 4.550 4.660 -0.001 0.000 0.294 531 W C 2.445 178.991 176.519 0.045 0.000 1.212 531 W CA 1.060 58.384 57.345 -0.034 0.000 1.271 531 W CB -1.353 28.060 29.460 -0.079 0.000 1.126 531 W HN 0.292 nan 8.180 nan 0.000 0.535 532 D N -0.221 120.369 120.400 0.317 0.000 2.178 532 D HA -0.117 4.523 4.640 -0.001 0.000 0.202 532 D C 2.113 178.570 176.300 0.262 0.000 0.974 532 D CA 1.036 55.223 54.000 0.311 0.000 0.841 532 D CB -0.079 40.879 40.800 0.264 0.000 0.953 532 D HN 0.041 nan 8.370 nan 0.000 0.478 533 I N 0.485 121.164 120.570 0.180 0.000 2.406 533 I HA -0.127 4.043 4.170 -0.001 0.000 0.249 533 I C 2.268 178.444 176.117 0.099 0.000 1.122 533 I CA 0.401 61.779 61.300 0.131 0.000 1.431 533 I CB -0.713 37.338 38.000 0.086 0.000 1.087 533 I HN -0.052 nan 8.210 nan 0.000 0.424 534 I N 0.488 121.117 120.570 0.099 0.000 2.315 534 I HA -0.220 3.949 4.170 -0.001 0.000 0.248 534 I C 2.379 178.513 176.117 0.028 0.000 1.117 534 I CA 1.117 62.452 61.300 0.058 0.000 1.404 534 I CB -0.591 37.448 38.000 0.065 0.000 1.071 534 I HN 0.080 nan 8.210 nan 0.000 0.419 535 L N 0.456 121.710 121.223 0.053 0.000 2.056 535 L HA -0.211 4.129 4.340 -0.001 0.000 0.207 535 L C 2.531 179.303 176.870 -0.164 0.000 1.078 535 L CA 1.795 56.621 54.840 -0.022 0.000 0.749 535 L CB -0.705 41.380 42.059 0.043 0.000 0.901 535 L HN 0.177 nan 8.230 nan 0.000 0.433 536 K N -0.217 120.102 120.400 -0.136 0.000 2.015 536 K HA -0.300 4.020 4.320 -0.001 0.000 0.216 536 K C 2.136 178.667 176.600 -0.116 0.000 1.052 536 K CA 2.288 58.470 56.287 -0.174 0.000 0.937 536 K CB -0.130 32.425 32.500 0.092 0.000 0.719 536 K HN 0.270 nan 8.250 nan 0.000 0.446 537 K N -0.138 120.233 120.400 -0.048 0.000 2.057 537 K HA -0.098 4.221 4.320 -0.001 0.000 0.207 537 K C 2.134 178.694 176.600 -0.067 0.000 1.049 537 K CA 1.333 57.594 56.287 -0.043 0.000 0.931 537 K CB -0.189 32.300 32.500 -0.019 0.000 0.714 537 K HN 0.280 nan 8.250 nan 0.000 0.440 538 A N 0.733 123.507 122.820 -0.076 0.000 2.067 538 A HA -0.085 4.235 4.320 -0.001 0.000 0.219 538 A C 1.882 179.392 177.584 -0.124 0.000 1.158 538 A CA 1.250 53.234 52.037 -0.089 0.000 0.661 538 A CB -0.379 18.573 19.000 -0.080 0.000 0.801 538 A HN 0.214 nan 8.150 nan 0.000 0.452 539 M N -0.747 118.764 119.600 -0.149 0.000 2.495 539 M HA 0.087 4.567 4.480 -0.001 0.000 0.237 539 M C 0.760 176.978 176.300 -0.137 0.000 1.131 539 M CA 0.121 55.318 55.300 -0.172 0.000 1.032 539 M CB -0.044 32.427 32.600 -0.216 0.000 1.513 539 M HN 0.286 nan 8.290 nan 0.000 0.488 540 K N 1.774 122.110 120.400 -0.107 0.000 2.414 540 K HA -0.086 4.233 4.320 -0.001 0.000 0.272 540 K C 0.405 176.963 176.600 -0.070 0.000 0.993 540 K CA 0.180 56.422 56.287 -0.077 0.000 0.964 540 K CB 0.356 32.823 32.500 -0.055 0.000 0.925 540 K HN 0.082 nan 8.250 nan 0.000 0.487 541 N N 1.690 120.357 118.700 -0.055 0.000 2.726 541 N HA -0.151 4.588 4.740 -0.001 0.000 0.253 541 N C -1.138 174.338 175.510 -0.057 0.000 1.059 541 N CA 1.077 54.100 53.050 -0.045 0.000 0.701 541 N CB -1.362 37.104 38.487 -0.036 0.000 0.899 541 N HN 0.560 nan 8.380 nan 0.000 0.548 542 S N -1.250 114.408 115.700 -0.069 0.000 2.603 542 S HA 0.209 4.679 4.470 -0.001 0.000 0.232 542 S C 0.306 174.858 174.600 -0.081 0.000 1.016 542 S CA -0.200 57.945 58.200 -0.092 0.000 0.976 542 S CB 0.872 63.996 63.200 -0.126 0.000 0.921 542 S HN 0.284 nan 8.310 nan 0.000 0.516 543 V N 2.447 122.330 119.914 -0.052 0.000 2.584 543 V HA 0.282 4.402 4.120 -0.001 0.000 0.303 543 V C 1.495 177.570 176.094 -0.033 0.000 1.035 543 V CA 1.481 63.757 62.300 -0.041 0.000 1.172 543 V CB -0.070 31.741 31.823 -0.020 0.000 0.896 543 V HN 0.659 nan 8.190 nan 0.000 0.486 544 G N 3.888 112.659 108.800 -0.048 0.000 2.259 544 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.217 544 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.217 544 G C 0.065 174.874 174.900 -0.152 0.000 1.001 544 G CA -0.105 44.976 45.100 -0.032 0.000 0.627 544 G HN 0.562 nan 8.290 nan 0.000 0.501 545 L N 3.110 124.196 121.223 -0.228 0.000 2.417 545 L HA 0.400 4.739 4.340 -0.001 0.000 0.268 545 L C -1.534 175.035 176.870 -0.502 0.000 1.158 545 L CA -1.914 52.653 54.840 -0.456 0.000 0.819 545 L CB 0.674 42.531 42.059 -0.337 0.000 1.112 545 L HN 0.021 nan 8.230 nan 0.000 0.458 546 P HA 0.124 nan 4.420 nan 0.000 0.276 546 P C -0.900 176.240 177.300 -0.267 0.000 1.230 546 P CA -0.086 62.726 63.100 -0.480 0.000 0.776 546 P CB 1.374 32.747 31.700 -0.545 0.000 0.888 547 V N 2.706 122.518 119.914 -0.170 0.000 2.680 547 V HA 0.714 4.834 4.120 -0.001 0.000 0.309 547 V C 0.394 176.446 176.094 -0.070 0.000 1.052 547 V CA -0.718 61.521 62.300 -0.102 0.000 0.908 547 V CB 1.823 33.587 31.823 -0.098 0.000 1.001 547 V HN 0.777 nan 8.190 nan 0.000 0.431 548 A N 3.159 125.953 122.820 -0.043 0.000 2.344 548 A HA 0.969 5.289 4.320 -0.001 0.000 0.307 548 A C -0.948 176.599 177.584 -0.063 0.000 1.151 548 A CA -0.678 51.333 52.037 -0.042 0.000 0.842 548 A CB 1.992 20.984 19.000 -0.012 0.000 1.350 548 A HN 0.718 nan 8.150 nan 0.000 0.459 549 V N -0.685 119.183 119.914 -0.077 0.000 3.074 549 V HA 0.618 4.737 4.120 -0.001 0.000 0.314 549 V C -0.754 175.282 176.094 -0.096 0.000 1.117 549 V CA -0.494 61.749 62.300 -0.095 0.000 1.014 549 V CB 2.060 33.818 31.823 -0.109 0.000 1.057 549 V HN 1.056 nan 8.190 nan 0.000 0.438 550 Q N 1.905 121.649 119.800 -0.092 0.000 2.365 550 Q HA 0.599 4.939 4.340 -0.001 0.000 0.269 550 Q C -1.813 174.153 176.000 -0.057 0.000 1.061 550 Q CA -0.444 55.312 55.803 -0.078 0.000 0.816 550 Q CB 1.928 30.632 28.738 -0.056 0.000 1.325 550 Q HN 0.778 nan 8.270 nan 0.000 0.446 551 C N 3.462 122.737 119.300 -0.042 0.000 2.340 551 C HA 0.727 5.186 4.460 -0.001 0.000 0.323 551 C C -0.641 174.401 174.990 0.087 0.000 1.260 551 C CA -0.606 58.468 59.018 0.093 0.000 1.464 551 C CB 0.808 28.546 27.740 -0.003 0.000 2.156 551 C HN 0.661 nan 8.230 nan 0.000 0.476 552 V N 2.841 122.828 119.914 0.123 0.000 2.769 552 V HA 0.945 5.065 4.120 -0.001 0.000 0.312 552 V C 0.293 176.516 176.094 0.216 0.000 1.061 552 V CA -0.197 62.142 62.300 0.066 0.000 0.931 552 V CB 1.773 33.523 31.823 -0.122 0.000 1.010 552 V HN 1.066 nan 8.190 nan 0.000 0.433 553 A N 3.080 125.966 122.820 0.110 0.000 2.437 553 A HA 0.904 5.223 4.320 -0.001 0.000 0.288 553 A C -0.790 176.494 177.584 -0.500 0.000 1.201 553 A CA -0.837 51.198 52.037 -0.003 0.000 0.795 553 A CB 1.056 20.050 19.000 -0.009 0.000 1.359 553 A HN 0.731 nan 8.150 nan 0.000 0.435 554 L N 0.805 121.572 121.223 -0.761 0.000 2.472 554 L HA 0.271 4.610 4.340 -0.001 0.000 0.260 554 L C -2.031 174.396 176.870 -0.739 0.000 1.209 554 L CA -1.636 52.494 54.840 -1.183 0.000 0.817 554 L CB 0.370 41.862 42.059 -0.945 0.000 1.106 554 L HN 0.397 nan 8.230 nan 0.000 0.479 555 P HA -0.127 nan 4.420 nan 0.000 0.265 555 P C -0.793 176.363 177.300 -0.241 0.000 1.187 555 P CA 0.443 63.241 63.100 -0.503 0.000 0.766 555 P CB 0.100 31.540 31.700 -0.434 0.000 0.820 556 W N -0.164 121.074 121.300 -0.103 0.000 2.589 556 W HA -0.195 4.465 4.660 -0.001 0.000 0.272 556 W C 0.518 176.992 176.519 -0.076 0.000 1.060 556 W CA 0.080 57.385 57.345 -0.068 0.000 0.533 556 W CB -2.290 27.129 29.460 -0.068 0.000 2.084 556 W HN 0.374 nan 8.180 nan 0.000 1.371 557 Q N 0.506 120.320 119.800 0.022 0.000 2.375 557 Q HA 0.129 4.468 4.340 -0.001 0.000 0.316 557 Q C 1.235 177.247 176.000 0.020 0.000 0.927 557 Q CA 0.370 56.174 55.803 0.002 0.000 1.029 557 Q CB 0.403 29.100 28.738 -0.068 0.000 1.202 557 Q HN 0.346 nan 8.270 nan 0.000 0.431 558 E N 1.408 121.640 120.200 0.054 0.000 2.058 558 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 558 E C 1.713 178.372 176.600 0.099 0.000 0.997 558 E CA 1.518 57.966 56.400 0.080 0.000 0.801 558 E CB 0.206 29.981 29.700 0.125 0.000 0.746 558 E HN 0.468 nan 8.360 nan 0.000 0.450 559 E N 0.637 120.864 120.200 0.046 0.000 2.204 559 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 559 E C 2.177 178.854 176.600 0.127 0.000 0.989 559 E CA 0.661 57.071 56.400 0.016 0.000 0.824 559 E CB -0.399 29.119 29.700 -0.303 0.000 0.756 559 E HN 0.316 nan 8.360 nan 0.000 0.477 560 L N 0.662 121.936 121.223 0.085 0.000 2.072 560 L HA -0.093 4.247 4.340 -0.001 0.000 0.205 560 L C 2.708 179.677 176.870 0.165 0.000 1.079 560 L CA 1.142 56.044 54.840 0.103 0.000 0.752 560 L CB -0.316 41.775 42.059 0.053 0.000 0.906 560 L HN 0.321 nan 8.230 nan 0.000 0.436 561 C N 0.308 119.698 119.300 0.150 0.000 2.413 561 C HA -0.204 4.256 4.460 -0.001 0.000 0.276 561 C C 2.729 177.849 174.990 0.216 0.000 1.248 561 C CA 0.874 60.007 59.018 0.192 0.000 1.742 561 C CB -0.919 26.893 27.740 0.120 0.000 2.017 561 C HN 0.507 nan 8.230 nan 0.000 0.481 562 L N 0.630 121.981 121.223 0.214 0.000 2.141 562 L HA -0.065 4.275 4.340 -0.001 0.000 0.209 562 L C 3.040 180.145 176.870 0.391 0.000 1.094 562 L CA 1.321 56.319 54.840 0.264 0.000 0.763 562 L CB -0.802 41.398 42.059 0.234 0.000 0.908 562 L HN 0.388 nan 8.230 nan 0.000 0.437 563 R N 0.451 121.174 120.500 0.371 0.000 2.096 563 R HA -0.230 4.110 4.340 -0.001 0.000 0.235 563 R C 2.260 178.671 176.300 0.185 0.000 1.127 563 R CA 1.826 58.049 56.100 0.204 0.000 0.968 563 R CB -0.619 29.758 30.300 0.128 0.000 0.861 563 R HN 0.368 nan 8.270 nan 0.000 0.440 564 F N 0.712 120.685 119.950 0.039 0.000 2.187 564 F HA -0.086 4.441 4.527 -0.001 0.000 0.295 564 F C 2.308 178.098 175.800 -0.016 0.000 1.091 564 F CA 1.020 59.007 58.000 -0.021 0.000 1.308 564 F CB -0.057 38.926 39.000 -0.029 0.000 1.030 564 F HN -0.080 nan 8.300 nan 0.000 0.487 565 M N 0.284 119.779 119.600 -0.175 0.000 2.106 565 M HA -0.261 4.219 4.480 -0.001 0.000 0.259 565 M C 2.350 178.580 176.300 -0.117 0.000 1.068 565 M CA 1.960 57.128 55.300 -0.220 0.000 1.100 565 M CB -0.585 31.980 32.600 -0.058 0.000 1.351 565 M HN 0.154 nan 8.290 nan 0.000 0.404 566 R N 0.401 120.904 120.500 0.005 0.000 2.096 566 R HA -0.201 4.138 4.340 -0.001 0.000 0.235 566 R C 1.946 178.233 176.300 -0.022 0.000 1.127 566 R CA 1.851 57.966 56.100 0.026 0.000 0.968 566 R CB -0.075 30.266 30.300 0.068 0.000 0.861 566 R HN 0.293 nan 8.270 nan 0.000 0.440 567 E N -0.104 120.074 120.200 -0.037 0.000 2.031 567 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 567 E C 1.869 178.424 176.600 -0.076 0.000 0.994 567 E CA 1.617 58.003 56.400 -0.023 0.000 0.800 567 E CB -0.112 29.598 29.700 0.015 0.000 0.752 567 E HN 0.152 nan 8.360 nan 0.000 0.447 568 V N 1.164 120.958 119.914 -0.199 0.000 2.282 568 V HA -0.304 3.815 4.120 -0.001 0.000 0.249 568 V C 2.437 178.461 176.094 -0.116 0.000 1.057 568 V CA 2.366 64.540 62.300 -0.211 0.000 1.032 568 V CB -0.604 30.989 31.823 -0.382 0.000 0.645 568 V HN 0.426 nan 8.190 nan 0.000 0.447 569 E N -0.415 119.727 120.200 -0.096 0.000 2.058 569 E HA -0.308 4.041 4.350 -0.001 0.000 0.194 569 E C 2.295 178.882 176.600 -0.022 0.000 0.997 569 E CA 1.876 58.249 56.400 -0.045 0.000 0.801 569 E CB -0.109 29.579 29.700 -0.020 0.000 0.746 569 E HN 0.690 nan 8.360 nan 0.000 0.450 570 Q N 0.065 119.856 119.800 -0.015 0.000 2.084 570 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 570 Q C 2.414 178.415 176.000 0.002 0.000 0.978 570 Q CA 1.437 57.241 55.803 0.002 0.000 0.844 570 Q CB -0.009 28.736 28.738 0.010 0.000 0.898 570 Q HN 0.366 nan 8.270 nan 0.000 0.426 571 L N -0.532 120.689 121.223 -0.004 0.000 2.007 571 L HA -0.135 4.205 4.340 -0.001 0.000 0.205 571 L C 2.328 179.193 176.870 -0.009 0.000 1.073 571 L CA 0.770 55.610 54.840 0.001 0.000 0.744 571 L CB -0.370 41.692 42.059 0.005 0.000 0.898 571 L HN 0.330 nan 8.230 nan 0.000 0.435 572 M N -0.553 119.033 119.600 -0.024 0.000 2.349 572 M HA 0.002 4.482 4.480 -0.001 0.000 0.266 572 M C 0.940 177.231 176.300 -0.014 0.000 1.076 572 M CA 0.955 56.239 55.300 -0.025 0.000 1.126 572 M CB -0.899 31.675 32.600 -0.044 0.000 1.392 572 M HN 0.331 nan 8.290 nan 0.000 0.440 573 T N -2.006 112.542 114.554 -0.009 0.000 3.410 573 T HA 0.385 4.735 4.350 -0.001 0.000 0.328 573 T C -2.157 172.549 174.700 0.010 0.000 1.567 573 T CA -1.253 60.849 62.100 0.004 0.000 1.626 573 T CB 1.027 69.901 68.868 0.010 0.000 0.939 573 T HN -0.001 nan 8.240 nan 0.000 0.656 574 P HA 0.086 nan 4.420 nan 0.000 0.225 574 P C 0.239 177.549 177.300 0.016 0.000 1.156 574 P CA 0.704 63.811 63.100 0.012 0.000 0.787 574 P CB 0.161 31.867 31.700 0.010 0.000 0.802 575 Q N 0.000 119.811 119.800 0.018 0.000 2.315 575 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 575 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 575 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 575 Q HN 0.000 nan 8.270 nan 0.000 0.481