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 3lj7_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 TPQKQ 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 0.000 174.818 174.900 -0.136 0.000 0.946 33 G CA 0.000 45.045 45.100 -0.092 0.000 0.502 34 R N -0.182 120.213 120.500 -0.175 0.000 2.476 34 R HA 0.122 4.462 4.340 -0.001 0.000 0.276 34 R C 1.817 178.028 176.300 -0.149 0.000 0.941 34 R CA -0.253 55.670 56.100 -0.295 0.000 1.088 34 R CB 0.598 30.521 30.300 -0.629 0.000 1.216 34 R HN 0.417 nan 8.270 nan 0.000 0.533 35 Q N 2.281 122.044 119.800 -0.061 0.000 2.124 35 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 35 Q C 1.917 177.917 176.000 -0.000 0.000 0.977 35 Q CA 1.763 57.565 55.803 -0.003 0.000 0.850 35 Q CB 0.024 28.761 28.738 -0.001 0.000 0.901 35 Q HN 0.137 nan 8.270 nan 0.000 0.429 36 K N -0.848 119.536 120.400 -0.025 0.000 2.063 36 K HA -0.141 4.178 4.320 -0.001 0.000 0.208 36 K C 1.804 178.398 176.600 -0.010 0.000 1.048 36 K CA 1.409 57.684 56.287 -0.020 0.000 0.928 36 K CB -0.359 32.120 32.500 -0.034 0.000 0.713 36 K HN 0.274 nan 8.250 nan 0.000 0.442 37 A N 0.806 123.613 122.820 -0.021 0.000 2.015 37 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 37 A C 1.991 179.656 177.584 0.134 0.000 1.163 37 A CA 1.140 53.191 52.037 0.024 0.000 0.646 37 A CB -0.342 18.633 19.000 -0.041 0.000 0.806 37 A HN 0.298 nan 8.150 nan 0.000 0.448 38 R N -0.793 119.807 120.500 0.166 0.000 2.092 38 R HA -0.083 4.257 4.340 -0.001 0.000 0.231 38 R C 2.373 178.709 176.300 0.060 0.000 1.119 38 R CA 1.085 57.282 56.100 0.162 0.000 0.970 38 R CB -0.509 29.884 30.300 0.154 0.000 0.864 38 R HN 0.527 nan 8.270 nan 0.000 0.440 39 G N 0.584 109.406 108.800 0.036 0.000 2.421 39 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.216 39 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.216 39 G C 1.546 176.443 174.900 -0.004 0.000 1.171 39 G CA 0.752 45.859 45.100 0.012 0.000 0.775 39 G HN 0.399 nan 8.290 nan 0.000 0.543 40 A N 1.350 124.165 122.820 -0.008 0.000 1.892 40 A HA 0.112 4.431 4.320 -0.001 0.000 0.218 40 A C 2.841 180.380 177.584 -0.075 0.000 1.188 40 A CA 2.657 54.673 52.037 -0.036 0.000 0.631 40 A CB -0.950 18.029 19.000 -0.036 0.000 0.822 40 A HN 0.877 nan 8.150 nan 0.000 0.447 41 A N -1.223 121.560 122.820 -0.063 0.000 1.877 41 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 41 A C 2.322 179.845 177.584 -0.102 0.000 1.186 41 A CA 2.375 54.342 52.037 -0.116 0.000 0.620 41 A CB -1.362 17.593 19.000 -0.076 0.000 0.822 41 A HN 0.456 nan 8.150 nan 0.000 0.443 42 T N -0.365 114.160 114.554 -0.049 0.000 2.684 42 T HA -0.155 4.194 4.350 -0.001 0.000 0.267 42 T C 2.090 176.777 174.700 -0.022 0.000 1.036 42 T CA 1.664 63.747 62.100 -0.028 0.000 1.148 42 T CB -0.227 68.636 68.868 -0.008 0.000 0.863 42 T HN 0.506 nan 8.240 nan 0.000 0.436 43 R N 0.745 121.230 120.500 -0.025 0.000 2.066 43 R HA 0.101 4.441 4.340 -0.001 0.000 0.232 43 R C 2.908 179.206 176.300 -0.003 0.000 1.131 43 R CA 1.155 57.251 56.100 -0.006 0.000 0.955 43 R CB -0.526 29.773 30.300 -0.002 0.000 0.851 43 R HN 0.356 nan 8.270 nan 0.000 0.432 44 A N 1.373 124.150 122.820 -0.070 0.000 1.892 44 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 44 A C 2.123 179.721 177.584 0.024 0.000 1.188 44 A CA 1.543 53.513 52.037 -0.112 0.000 0.631 44 A CB -0.459 18.192 19.000 -0.581 0.000 0.822 44 A HN 0.222 nan 8.150 nan 0.000 0.447 45 R N -1.167 119.305 120.500 -0.045 0.000 2.120 45 R HA -0.131 4.208 4.340 -0.001 0.000 0.234 45 R C 2.481 178.840 176.300 0.099 0.000 1.123 45 R CA 1.532 57.669 56.100 0.062 0.000 0.975 45 R CB -0.236 30.068 30.300 0.007 0.000 0.866 45 R HN 0.739 nan 8.270 nan 0.000 0.446 46 Q N 0.502 120.344 119.800 0.070 0.000 2.079 46 Q HA -0.131 4.208 4.340 -0.001 0.000 0.200 46 Q C 1.646 177.707 176.000 0.101 0.000 0.974 46 Q CA 1.513 57.359 55.803 0.073 0.000 0.840 46 Q CB 0.235 29.003 28.738 0.050 0.000 0.898 46 Q HN 0.191 nan 8.270 nan 0.000 0.430 47 K N -0.049 120.426 120.400 0.125 0.000 2.097 47 K HA -0.197 4.123 4.320 -0.001 0.000 0.205 47 K C 2.131 178.838 176.600 0.179 0.000 1.050 47 K CA 1.281 57.654 56.287 0.143 0.000 0.938 47 K CB -0.077 32.514 32.500 0.152 0.000 0.718 47 K HN 0.269 nan 8.250 nan 0.000 0.442 48 Q N 1.218 121.161 119.800 0.238 0.000 2.050 48 Q HA -0.209 4.130 4.340 -0.001 0.000 0.202 48 Q C 2.227 178.321 176.000 0.156 0.000 0.980 48 Q CA 1.446 57.375 55.803 0.211 0.000 0.840 48 Q CB 0.028 28.948 28.738 0.303 0.000 0.898 48 Q HN 0.165 nan 8.270 nan 0.000 0.424 49 R N -0.260 120.326 120.500 0.143 0.000 2.073 49 R HA -0.132 4.207 4.340 -0.001 0.000 0.234 49 R C 2.187 178.562 176.300 0.124 0.000 1.134 49 R CA 1.478 57.649 56.100 0.119 0.000 0.952 49 R CB -0.395 29.963 30.300 0.096 0.000 0.850 49 R HN 0.332 nan 8.270 nan 0.000 0.433 50 A N -0.210 122.681 122.820 0.117 0.000 1.933 50 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 50 A C 2.188 179.853 177.584 0.136 0.000 1.175 50 A CA 1.818 53.923 52.037 0.112 0.000 0.628 50 A CB -0.514 18.545 19.000 0.099 0.000 0.814 50 A HN 0.421 nan 8.150 nan 0.000 0.444 51 S N -0.114 115.683 115.700 0.162 0.000 2.356 51 S HA -0.109 4.360 4.470 -0.001 0.000 0.223 51 S C 1.844 176.534 174.600 0.150 0.000 1.032 51 S CA 1.498 59.823 58.200 0.207 0.000 1.005 51 S CB -0.476 62.862 63.200 0.231 0.000 0.867 51 S HN 0.534 nan 8.310 nan 0.000 0.449 52 L N 1.226 122.549 121.223 0.166 0.000 2.042 52 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 52 L C 2.535 179.545 176.870 0.233 0.000 1.076 52 L CA 1.415 56.404 54.840 0.249 0.000 0.749 52 L CB -0.644 41.566 42.059 0.250 0.000 0.893 52 L HN 0.367 nan 8.230 nan 0.000 0.432 53 E N -0.579 119.716 120.200 0.158 0.000 2.106 53 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 53 E C 2.125 178.721 176.600 -0.006 0.000 0.984 53 E CA 1.639 58.088 56.400 0.082 0.000 0.806 53 E CB -0.109 29.640 29.700 0.081 0.000 0.750 53 E HN 0.436 nan 8.360 nan 0.000 0.458 54 T N 1.120 115.688 114.554 0.022 0.000 2.746 54 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 54 T C 1.887 176.510 174.700 -0.128 0.000 1.039 54 T CA 1.132 63.240 62.100 0.013 0.000 1.142 54 T CB -0.104 68.850 68.868 0.143 0.000 0.866 54 T HN 0.120 nan 8.240 nan 0.000 0.444 55 M N 0.891 120.327 119.600 -0.273 0.000 2.086 55 M HA -0.103 4.376 4.480 -0.001 0.000 0.261 55 M C 2.294 178.389 176.300 -0.341 0.000 1.067 55 M CA 1.654 56.695 55.300 -0.431 0.000 1.116 55 M CB -0.390 32.005 32.600 -0.341 0.000 1.348 55 M HN 0.107 nan 8.290 nan 0.000 0.407 56 D N 0.453 120.577 120.400 -0.459 0.000 2.117 56 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 56 D C 1.827 177.890 176.300 -0.396 0.000 0.987 56 D CA 1.375 54.950 54.000 -0.709 0.000 0.829 56 D CB 0.086 40.310 40.800 -0.961 0.000 0.961 56 D HN 0.180 nan 8.370 nan 0.000 0.460 57 K N -0.190 120.066 120.400 -0.240 0.000 2.097 57 K HA -0.065 4.255 4.320 -0.001 0.000 0.206 57 K C 2.110 178.630 176.600 -0.134 0.000 1.049 57 K CA 1.082 57.278 56.287 -0.152 0.000 0.933 57 K CB -0.122 32.331 32.500 -0.078 0.000 0.717 57 K HN 0.140 nan 8.250 nan 0.000 0.442 58 A N 0.946 123.701 122.820 -0.109 0.000 1.929 58 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 58 A C 2.339 179.802 177.584 -0.202 0.000 1.176 58 A CA 1.074 53.055 52.037 -0.093 0.000 0.628 58 A CB -0.449 18.633 19.000 0.137 0.000 0.816 58 A HN 0.052 nan 8.150 nan 0.000 0.444 59 V N 0.106 119.931 119.914 -0.148 0.000 2.343 59 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 59 V C 2.718 178.745 176.094 -0.112 0.000 1.051 59 V CA 1.966 64.198 62.300 -0.113 0.000 1.036 59 V CB -0.758 30.966 31.823 -0.165 0.000 0.654 59 V HN 0.519 nan 8.190 nan 0.000 0.451 60 Q N -0.144 119.552 119.800 -0.175 0.000 2.084 60 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 60 Q C 2.465 178.389 176.000 -0.125 0.000 0.978 60 Q CA 1.313 57.027 55.803 -0.149 0.000 0.844 60 Q CB -0.450 28.187 28.738 -0.169 0.000 0.898 60 Q HN 0.541 nan 8.270 nan 0.000 0.426 61 R N -0.113 120.306 120.500 -0.136 0.000 2.073 61 R HA -0.111 4.229 4.340 -0.001 0.000 0.234 61 R C 2.184 178.389 176.300 -0.158 0.000 1.134 61 R CA 1.013 57.031 56.100 -0.136 0.000 0.952 61 R CB -0.971 29.249 30.300 -0.133 0.000 0.850 61 R HN 0.273 nan 8.270 nan 0.000 0.433 62 F N 1.998 121.737 119.950 -0.352 0.000 2.095 62 F HA -0.186 4.341 4.527 -0.001 0.000 0.298 62 F C 2.455 178.145 175.800 -0.182 0.000 1.104 62 F CA 1.527 59.314 58.000 -0.356 0.000 1.232 62 F CB -0.113 38.534 39.000 -0.587 0.000 0.987 62 F HN -0.138 nan 8.300 nan 0.000 0.475 63 R N 0.143 120.555 120.500 -0.146 0.000 2.096 63 R HA -0.150 4.189 4.340 -0.001 0.000 0.235 63 R C 2.381 178.546 176.300 -0.225 0.000 1.127 63 R CA 1.621 57.616 56.100 -0.174 0.000 0.968 63 R CB -0.648 29.624 30.300 -0.046 0.000 0.861 63 R HN 0.388 nan 8.270 nan 0.000 0.440 64 L N 0.817 121.926 121.223 -0.191 0.000 2.083 64 L HA -0.223 4.117 4.340 -0.001 0.000 0.209 64 L C 2.069 178.824 176.870 -0.191 0.000 1.083 64 L CA 1.466 56.210 54.840 -0.160 0.000 0.752 64 L CB -0.175 41.808 42.059 -0.126 0.000 0.899 64 L HN 0.336 nan 8.230 nan 0.000 0.433 65 Q N -0.771 118.867 119.800 -0.269 0.000 2.424 65 Q HA -0.012 4.328 4.340 -0.001 0.000 0.204 65 Q C -0.032 175.771 176.000 -0.328 0.000 0.933 65 Q CA 0.489 56.133 55.803 -0.265 0.000 0.929 65 Q CB 0.162 28.748 28.738 -0.254 0.000 1.037 65 Q HN 0.503 nan 8.270 nan 0.000 0.511 66 N N 0.852 119.284 118.700 -0.447 0.000 2.679 66 N HA 0.096 4.836 4.740 -0.001 0.000 0.302 66 N C -2.223 173.140 175.510 -0.247 0.000 1.941 66 N CA -0.814 51.996 53.050 -0.400 0.000 0.875 66 N CB 1.100 39.167 38.487 -0.700 0.000 1.278 66 N HN 0.019 nan 8.380 nan 0.000 0.490 67 P HA -0.057 nan 4.420 nan 0.000 0.222 67 P C -0.154 177.103 177.300 -0.072 0.000 1.147 67 P CA 1.208 64.243 63.100 -0.108 0.000 0.790 67 P CB 0.419 32.066 31.700 -0.089 0.000 0.780 68 D N -0.788 119.572 120.400 -0.066 0.000 2.363 68 D HA 0.088 4.728 4.640 -0.001 0.000 0.214 68 D C 0.616 176.902 176.300 -0.023 0.000 1.093 68 D CA -0.294 53.682 54.000 -0.039 0.000 0.837 68 D CB -0.209 40.570 40.800 -0.035 0.000 0.948 68 D HN 0.130 nan 8.370 nan 0.000 0.507 69 L N 1.833 123.044 121.223 -0.020 0.000 2.462 69 L HA 0.077 4.416 4.340 -0.001 0.000 0.272 69 L C 0.156 177.036 176.870 0.016 0.000 1.166 69 L CA -0.004 54.846 54.840 0.017 0.000 0.880 69 L CB 0.620 42.717 42.059 0.063 0.000 1.142 69 L HN -0.233 nan 8.230 nan 0.000 0.473 70 D N 2.252 122.660 120.400 0.014 0.000 2.470 70 D HA 0.029 4.668 4.640 -0.001 0.000 0.226 70 D C 1.233 177.532 176.300 -0.001 0.000 1.196 70 D CA 0.648 54.650 54.000 0.003 0.000 0.979 70 D CB 0.572 41.373 40.800 0.001 0.000 1.059 70 D HN 0.700 nan 8.370 nan 0.000 0.515 71 S N 2.712 118.410 115.700 -0.005 0.000 2.423 71 S HA -0.138 4.331 4.470 -0.001 0.000 0.231 71 S C 1.410 175.972 174.600 -0.065 0.000 1.014 71 S CA 0.468 58.652 58.200 -0.026 0.000 0.965 71 S CB -0.019 63.172 63.200 -0.015 0.000 0.785 71 S HN 0.405 nan 8.310 nan 0.000 0.495 72 E N 2.289 122.460 120.200 -0.048 0.000 2.047 72 E HA 0.010 4.360 4.350 -0.001 0.000 0.191 72 E C 2.511 179.080 176.600 -0.052 0.000 0.987 72 E CA 1.218 57.585 56.400 -0.055 0.000 0.799 72 E CB -0.853 28.825 29.700 -0.037 0.000 0.752 72 E HN 0.678 nan 8.360 nan 0.000 0.449 73 A N 1.854 124.654 122.820 -0.032 0.000 1.933 73 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 73 A C 2.281 179.851 177.584 -0.022 0.000 1.175 73 A CA 1.096 53.121 52.037 -0.020 0.000 0.628 73 A CB -0.702 18.293 19.000 -0.007 0.000 0.814 73 A HN 0.248 nan 8.150 nan 0.000 0.444 74 L N -0.762 120.440 121.223 -0.036 0.000 2.027 74 L HA -0.090 4.250 4.340 -0.001 0.000 0.206 74 L C 2.361 179.181 176.870 -0.084 0.000 1.074 74 L CA 1.344 56.160 54.840 -0.039 0.000 0.745 74 L CB -0.220 41.813 42.059 -0.043 0.000 0.898 74 L HN 0.396 nan 8.230 nan 0.000 0.433 75 L N -0.383 120.732 121.223 -0.180 0.000 2.141 75 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 75 L C 2.413 179.223 176.870 -0.100 0.000 1.094 75 L CA 1.703 56.365 54.840 -0.297 0.000 0.763 75 L CB -0.625 41.231 42.059 -0.339 0.000 0.908 75 L HN 0.491 nan 8.230 nan 0.000 0.437 76 T N -3.247 111.278 114.554 -0.049 0.000 3.107 76 T HA 0.150 4.500 4.350 -0.001 0.000 0.249 76 T C 0.754 175.468 174.700 0.023 0.000 1.096 76 T CA -0.287 61.811 62.100 -0.004 0.000 1.012 76 T CB -0.211 68.650 68.868 -0.011 0.000 0.977 76 T HN 0.017 nan 8.240 nan 0.000 0.527 77 L N 2.707 123.947 121.223 0.029 0.000 2.499 77 L HA 0.251 4.591 4.340 -0.001 0.000 0.273 77 L C -1.990 174.917 176.870 0.062 0.000 1.195 77 L CA -1.809 53.056 54.840 0.043 0.000 0.882 77 L CB 0.314 42.400 42.059 0.046 0.000 1.133 77 L HN 0.094 nan 8.230 nan 0.000 0.483 78 P HA -0.071 nan 4.420 nan 0.000 0.268 78 P C 0.537 177.866 177.300 0.047 0.000 1.208 78 P CA -0.391 62.739 63.100 0.050 0.000 0.777 78 P CB 0.613 32.337 31.700 0.041 0.000 0.875 79 L N 3.015 124.259 121.223 0.036 0.000 2.081 79 L HA -0.179 4.161 4.340 -0.001 0.000 0.212 79 L C 1.948 178.826 176.870 0.012 0.000 1.080 79 L CA 1.805 56.653 54.840 0.014 0.000 0.754 79 L CB -1.297 40.754 42.059 -0.013 0.000 0.893 79 L HN 0.322 nan 8.230 nan 0.000 0.433 80 L N -1.051 120.183 121.223 0.018 0.000 2.056 80 L HA -0.229 4.111 4.340 -0.001 0.000 0.207 80 L C 2.529 179.415 176.870 0.026 0.000 1.078 80 L CA 1.685 56.537 54.840 0.020 0.000 0.749 80 L CB -0.339 41.737 42.059 0.029 0.000 0.901 80 L HN 0.395 nan 8.230 nan 0.000 0.433 81 Q N -1.312 118.507 119.800 0.031 0.000 2.123 81 Q HA -0.187 4.152 4.340 -0.001 0.000 0.199 81 Q C 2.175 178.197 176.000 0.036 0.000 0.966 81 Q CA 1.363 57.186 55.803 0.033 0.000 0.845 81 Q CB -0.225 28.534 28.738 0.034 0.000 0.907 81 Q HN 0.419 nan 8.270 nan 0.000 0.439 82 L N 0.171 121.418 121.223 0.039 0.000 2.012 82 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 82 L C 2.117 179.007 176.870 0.034 0.000 1.073 82 L CA 1.429 56.295 54.840 0.044 0.000 0.748 82 L CB -0.456 41.636 42.059 0.056 0.000 0.891 82 L HN -0.004 nan 8.230 nan 0.000 0.431 83 V N -0.419 119.510 119.914 0.024 0.000 2.287 83 V HA -0.317 3.803 4.120 -0.001 0.000 0.248 83 V C 2.639 178.762 176.094 0.048 0.000 1.053 83 V CA 2.035 64.352 62.300 0.028 0.000 1.027 83 V CB -0.697 31.134 31.823 0.014 0.000 0.646 83 V HN 0.612 nan 8.190 nan 0.000 0.447 84 Q N 0.276 120.100 119.800 0.040 0.000 2.096 84 Q HA -0.243 4.097 4.340 -0.001 0.000 0.204 84 Q C 2.293 178.323 176.000 0.050 0.000 0.982 84 Q CA 1.854 57.683 55.803 0.042 0.000 0.850 84 Q CB -0.147 28.611 28.738 0.034 0.000 0.901 84 Q HN 0.611 nan 8.270 nan 0.000 0.422 85 K N -0.063 120.367 120.400 0.050 0.000 2.148 85 K HA -0.057 4.262 4.320 -0.001 0.000 0.204 85 K C 2.298 178.941 176.600 0.073 0.000 1.050 85 K CA 0.697 57.015 56.287 0.053 0.000 0.942 85 K CB -0.018 32.511 32.500 0.047 0.000 0.724 85 K HN 0.198 nan 8.250 nan 0.000 0.446 86 L N 0.706 121.980 121.223 0.085 0.000 2.141 86 L HA -0.184 4.156 4.340 -0.001 0.000 0.209 86 L C 2.609 179.611 176.870 0.220 0.000 1.094 86 L CA 0.948 55.872 54.840 0.140 0.000 0.763 86 L CB -0.172 41.943 42.059 0.094 0.000 0.908 86 L HN 0.125 nan 8.230 nan 0.000 0.437 87 Q N -0.079 119.810 119.800 0.149 0.000 2.123 87 Q HA -0.138 4.201 4.340 -0.001 0.000 0.199 87 Q C 2.370 178.398 176.000 0.046 0.000 0.966 87 Q CA 1.881 57.740 55.803 0.094 0.000 0.845 87 Q CB -0.105 28.669 28.738 0.060 0.000 0.907 87 Q HN 0.512 nan 8.270 nan 0.000 0.439 88 S N -2.094 113.636 115.700 0.051 0.000 2.461 88 S HA 0.183 4.652 4.470 -0.001 0.000 0.228 88 S C 1.536 176.160 174.600 0.040 0.000 1.005 88 S CA 0.782 59.003 58.200 0.035 0.000 0.942 88 S CB 0.068 63.288 63.200 0.033 0.000 0.776 88 S HN 0.633 nan 8.310 nan 0.000 0.514 89 G N 0.960 109.799 108.800 0.065 0.000 2.195 89 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.224 89 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.224 89 G C 0.558 175.496 174.900 0.064 0.000 0.990 89 G CA 0.459 45.602 45.100 0.070 0.000 0.639 89 G HN 0.515 nan 8.290 nan 0.000 0.514 90 E N -0.474 119.760 120.200 0.056 0.000 2.130 90 E HA 0.019 4.369 4.350 -0.001 0.000 0.196 90 E C 0.829 177.463 176.600 0.056 0.000 0.998 90 E CA 0.826 57.256 56.400 0.049 0.000 0.806 90 E CB -0.050 29.675 29.700 0.042 0.000 0.738 90 E HN 0.582 nan 8.360 nan 0.000 0.459 91 L N 0.579 121.841 121.223 0.065 0.000 2.365 91 L HA 0.253 4.592 4.340 -0.001 0.000 0.273 91 L C -0.133 176.783 176.870 0.077 0.000 1.000 91 L CA -0.959 53.922 54.840 0.069 0.000 0.819 91 L CB 1.941 44.035 42.059 0.058 0.000 1.284 91 L HN -0.028 nan 8.230 nan 0.000 0.418 92 S N 1.653 117.405 115.700 0.086 0.000 2.580 92 S HA 0.327 4.796 4.470 -0.001 0.000 0.274 92 S C -1.967 172.649 174.600 0.028 0.000 1.329 92 S CA -1.044 57.207 58.200 0.085 0.000 1.036 92 S CB 1.261 64.533 63.200 0.120 0.000 0.919 92 S HN 0.407 nan 8.310 nan 0.000 0.515 93 P HA -0.093 nan 4.420 nan 0.000 0.215 93 P C 1.026 178.255 177.300 -0.118 0.000 1.153 93 P CA 1.265 64.265 63.100 -0.167 0.000 0.853 93 P CB -0.002 31.522 31.700 -0.293 0.000 0.788 94 E N -0.186 119.989 120.200 -0.042 0.000 2.085 94 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 94 E C 2.179 178.758 176.600 -0.036 0.000 0.994 94 E CA 1.628 58.033 56.400 0.007 0.000 0.801 94 E CB -1.190 28.657 29.700 0.245 0.000 0.743 94 E HN 0.160 nan 8.360 nan 0.000 0.453 95 A N 0.449 123.323 122.820 0.090 0.000 1.877 95 A HA -0.163 4.157 4.320 -0.001 0.000 0.216 95 A C 2.492 180.056 177.584 -0.034 0.000 1.186 95 A CA 1.569 53.689 52.037 0.140 0.000 0.620 95 A CB -0.779 18.364 19.000 0.239 0.000 0.822 95 A HN 0.154 nan 8.150 nan 0.000 0.443 96 V N -1.280 118.621 119.914 -0.021 0.000 2.358 96 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 96 V C 2.267 178.318 176.094 -0.071 0.000 1.047 96 V CA 2.016 64.309 62.300 -0.010 0.000 1.035 96 V CB -0.952 30.875 31.823 0.008 0.000 0.658 96 V HN 0.627 nan 8.190 nan 0.000 0.452 97 F N 0.419 120.156 119.950 -0.354 0.000 2.075 97 F HA -0.174 4.354 4.527 0.002 0.000 0.297 97 F C 2.081 177.543 175.800 -0.563 0.000 1.113 97 F CA 1.852 59.525 58.000 -0.545 0.000 1.218 97 F CB -0.323 38.229 39.000 -0.747 0.000 0.984 97 F HN 0.112 nan 8.300 nan 0.000 0.472 98 F N 0.066 119.765 119.950 -0.419 0.000 2.325 98 F HA -0.157 4.369 4.527 -0.001 0.000 0.299 98 F C 2.376 177.906 175.800 -0.451 0.000 1.090 98 F CA 1.351 58.998 58.000 -0.587 0.000 1.392 98 F CB -0.835 37.552 39.000 -1.022 0.000 1.053 98 F HN -0.088 nan 8.300 nan 0.000 0.521 99 T N -1.043 113.380 114.554 -0.218 0.000 2.737 99 T HA -0.219 4.131 4.350 -0.001 0.000 0.265 99 T C 1.564 176.125 174.700 -0.232 0.000 1.038 99 T CA 1.401 63.409 62.100 -0.152 0.000 1.144 99 T CB -0.584 68.201 68.868 -0.139 0.000 0.866 99 T HN 0.170 nan 8.240 nan 0.000 0.434 100 Y N 0.741 120.866 120.300 -0.292 0.000 2.242 100 Y HA 0.030 4.580 4.550 -0.000 0.000 0.291 100 Y C 2.170 177.861 175.900 -0.348 0.000 1.137 100 Y CA 0.351 58.260 58.100 -0.319 0.000 1.181 100 Y CB -0.509 37.682 38.460 -0.448 0.000 0.989 100 Y HN 0.075 nan 8.280 nan 0.000 0.527 101 L N -0.319 120.661 121.223 -0.405 0.000 2.042 101 L HA -0.126 4.213 4.340 -0.001 0.000 0.210 101 L C 2.481 179.320 176.870 -0.051 0.000 1.076 101 L CA 2.144 56.800 54.840 -0.307 0.000 0.749 101 L CB -1.175 40.575 42.059 -0.516 0.000 0.893 101 L HN 0.222 nan 8.230 nan 0.000 0.432 102 G N -1.040 107.728 108.800 -0.053 0.000 2.446 102 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.217 102 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.217 102 G C 1.691 176.660 174.900 0.114 0.000 1.168 102 G CA 1.037 46.154 45.100 0.028 0.000 0.771 102 G HN 0.318 nan 8.290 nan 0.000 0.551 103 K N 1.115 121.537 120.400 0.036 0.000 2.057 103 K HA 0.189 4.508 4.320 -0.001 0.000 0.206 103 K C 2.683 179.344 176.600 0.102 0.000 1.050 103 K CA 1.482 57.792 56.287 0.037 0.000 0.935 103 K CB -0.707 31.753 32.500 -0.066 0.000 0.715 103 K HN 0.176 nan 8.250 nan 0.000 0.439 104 A N -0.305 122.609 122.820 0.156 0.000 1.902 104 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 104 A C 2.167 179.843 177.584 0.153 0.000 1.181 104 A CA 1.579 53.725 52.037 0.181 0.000 0.623 104 A CB -1.216 17.970 19.000 0.309 0.000 0.818 104 A HN 0.654 nan 8.150 nan 0.000 0.443 105 W N 0.875 122.177 121.300 0.004 0.000 2.338 105 W HA -0.190 4.469 4.660 -0.001 0.000 0.304 105 W C 2.019 178.529 176.519 -0.015 0.000 1.212 105 W CA 2.108 59.443 57.345 -0.017 0.000 1.264 105 W CB -0.098 29.339 29.460 -0.037 0.000 1.142 105 W HN 0.489 nan 8.180 nan 0.000 0.512 106 E N -0.406 119.887 120.200 0.155 0.000 2.047 106 E HA -0.225 4.125 4.350 -0.001 0.000 0.191 106 E C 2.204 178.732 176.600 -0.119 0.000 0.987 106 E CA 2.223 58.616 56.400 -0.012 0.000 0.799 106 E CB -0.610 29.154 29.700 0.107 0.000 0.752 106 E HN 0.288 nan 8.360 nan 0.000 0.449 107 V N -0.003 119.875 119.914 -0.059 0.000 2.809 107 V HA -0.151 3.969 4.120 -0.001 0.000 0.256 107 V C 1.838 177.870 176.094 -0.103 0.000 1.080 107 V CA 1.884 64.140 62.300 -0.072 0.000 1.102 107 V CB -0.612 31.190 31.823 -0.035 0.000 0.705 107 V HN 0.133 nan 8.190 nan 0.000 0.475 108 N N 1.148 119.764 118.700 -0.139 0.000 2.223 108 N HA -0.160 4.580 4.740 -0.001 0.000 0.185 108 N C 1.778 177.161 175.510 -0.212 0.000 1.016 108 N CA 1.669 54.620 53.050 -0.165 0.000 0.863 108 N CB -0.379 37.996 38.487 -0.188 0.000 0.983 108 N HN 0.555 nan 8.380 nan 0.000 0.429 109 K N -1.046 119.169 120.400 -0.308 0.000 2.074 109 K HA -0.081 4.238 4.320 -0.001 0.000 0.209 109 K C 1.646 178.147 176.600 -0.166 0.000 1.048 109 K CA 1.425 57.538 56.287 -0.291 0.000 0.926 109 K CB -0.321 31.969 32.500 -0.350 0.000 0.713 109 K HN 0.329 nan 8.250 nan 0.000 0.444 110 G N -0.306 108.416 108.800 -0.129 0.000 2.986 110 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.213 110 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.213 110 G C 1.190 176.055 174.900 -0.058 0.000 1.156 110 G CA 0.763 45.813 45.100 -0.083 0.000 0.763 110 G HN 0.407 nan 8.290 nan 0.000 0.547 111 T N -3.423 111.095 114.554 -0.061 0.000 2.954 111 T HA 0.116 4.466 4.350 -0.001 0.000 0.252 111 T C 0.948 175.632 174.700 -0.026 0.000 0.983 111 T CA 0.498 62.580 62.100 -0.031 0.000 0.941 111 T CB -0.070 68.786 68.868 -0.020 0.000 1.141 111 T HN 0.150 nan 8.240 nan 0.000 0.500 112 N N 0.847 119.519 118.700 -0.047 0.000 2.714 112 N HA -0.204 4.535 4.740 -0.001 0.000 0.253 112 N C 0.745 176.242 175.510 -0.022 0.000 1.024 112 N CA 0.705 53.735 53.050 -0.033 0.000 0.726 112 N CB -1.854 36.628 38.487 -0.008 0.000 0.908 112 N HN 0.820 nan 8.380 nan 0.000 0.542 113 C N -3.202 116.076 119.300 -0.037 0.000 2.674 113 C HA 0.470 4.930 4.460 -0.001 0.000 0.276 113 C C 1.003 175.952 174.990 -0.068 0.000 1.300 113 C CA -0.360 58.637 59.018 -0.035 0.000 1.732 113 C CB -0.721 27.006 27.740 -0.022 0.000 2.076 113 C HN 0.233 nan 8.230 nan 0.000 0.548 114 V N 3.080 122.948 119.914 -0.078 0.000 2.383 114 V HA 0.355 4.475 4.120 -0.001 0.000 0.275 114 V C 1.550 177.556 176.094 -0.146 0.000 1.036 114 V CA 0.997 63.238 62.300 -0.098 0.000 0.889 114 V CB 1.182 32.971 31.823 -0.057 0.000 0.985 114 V HN 0.662 nan 8.190 nan 0.000 0.459 115 T N 0.344 114.746 114.554 -0.254 0.000 3.037 115 T HA 0.173 4.523 4.350 -0.001 0.000 0.252 115 T C 0.683 175.221 174.700 -0.269 0.000 1.073 115 T CA 0.501 62.281 62.100 -0.534 0.000 1.091 115 T CB 0.401 68.598 68.868 -1.120 0.000 0.935 115 T HN 0.565 nan 8.240 nan 0.000 0.488 116 S N -0.519 115.136 115.700 -0.076 0.000 2.542 116 S HA 0.461 4.930 4.470 -0.001 0.000 0.276 116 S C -2.097 172.565 174.600 0.103 0.000 1.148 116 S CA -0.990 57.257 58.200 0.079 0.000 0.886 116 S CB 1.266 64.576 63.200 0.183 0.000 1.109 116 S HN 0.442 nan 8.310 nan 0.000 0.458 117 Y N 4.974 125.300 120.300 0.043 0.000 2.326 117 Y HA 0.589 5.140 4.550 0.001 0.000 0.337 117 Y C -0.528 175.383 175.900 0.019 0.000 1.023 117 Y CA -0.902 57.215 58.100 0.027 0.000 1.143 117 Y CB 0.640 39.163 38.460 0.106 0.000 1.183 117 Y HN 0.581 nan 8.280 nan 0.000 0.485 118 L N 7.536 128.443 121.223 -0.527 0.000 2.342 118 L HA 0.074 4.414 4.340 -0.001 0.000 0.285 118 L C 1.464 177.973 176.870 -0.602 0.000 1.095 118 L CA -0.094 54.265 54.840 -0.803 0.000 0.843 118 L CB 0.737 42.046 42.059 -1.250 0.000 1.201 118 L HN 0.886 nan 8.230 nan 0.000 0.445 119 T N -1.343 113.121 114.554 -0.150 0.000 2.684 119 T HA -0.210 4.140 4.350 -0.001 0.000 0.267 119 T C 1.113 175.738 174.700 -0.125 0.000 1.036 119 T CA 1.431 63.473 62.100 -0.097 0.000 1.148 119 T CB -0.280 68.667 68.868 0.132 0.000 0.863 119 T HN 0.709 nan 8.240 nan 0.000 0.436 120 D N 1.197 121.585 120.400 -0.020 0.000 2.319 120 D HA 0.034 4.674 4.640 -0.001 0.000 0.230 120 D C 2.039 178.299 176.300 -0.065 0.000 1.094 120 D CA 0.322 54.319 54.000 -0.005 0.000 0.856 120 D CB -1.334 39.500 40.800 0.056 0.000 0.915 120 D HN 0.744 nan 8.370 nan 0.000 0.517 121 C N -1.091 118.113 119.300 -0.161 0.000 2.448 121 C HA 0.108 4.568 4.460 -0.001 0.000 0.280 121 C C 2.096 176.883 174.990 -0.338 0.000 1.398 121 C CA -0.079 58.830 59.018 -0.180 0.000 1.774 121 C CB -0.841 26.815 27.740 -0.140 0.000 1.888 121 C HN 0.226 nan 8.230 nan 0.000 0.519 122 E N 1.567 121.592 120.200 -0.291 0.000 2.072 122 E HA -0.141 4.209 4.350 -0.001 0.000 0.190 122 E C 2.533 178.996 176.600 -0.228 0.000 0.982 122 E CA 1.905 58.087 56.400 -0.364 0.000 0.803 122 E CB -0.221 29.437 29.700 -0.069 0.000 0.755 122 E HN 0.899 nan 8.360 nan 0.000 0.453 123 T N -0.839 113.644 114.554 -0.119 0.000 2.915 123 T HA -0.192 4.157 4.350 -0.001 0.000 0.269 123 T C 1.972 176.614 174.700 -0.096 0.000 1.071 123 T CA 1.208 63.262 62.100 -0.077 0.000 1.132 123 T CB 0.047 68.896 68.868 -0.033 0.000 0.878 123 T HN -0.058 nan 8.240 nan 0.000 0.479 124 Q N 0.760 120.487 119.800 -0.121 0.000 2.046 124 Q HA 0.034 4.374 4.340 -0.001 0.000 0.200 124 Q C 2.176 178.080 176.000 -0.160 0.000 0.975 124 Q CA 1.387 57.123 55.803 -0.112 0.000 0.836 124 Q CB -0.987 27.699 28.738 -0.087 0.000 0.896 124 Q HN 0.507 nan 8.270 nan 0.000 0.428 125 L N 0.382 121.434 121.223 -0.286 0.000 2.034 125 L HA -0.250 4.090 4.340 -0.001 0.000 0.217 125 L C 2.131 178.879 176.870 -0.204 0.000 1.077 125 L CA 2.702 57.329 54.840 -0.356 0.000 0.769 125 L CB -1.034 40.638 42.059 -0.645 0.000 0.890 125 L HN 0.457 nan 8.230 nan 0.000 0.435 126 S N -2.200 113.414 115.700 -0.143 0.000 2.489 126 S HA -0.101 4.369 4.470 -0.001 0.000 0.228 126 S C 1.578 176.170 174.600 -0.014 0.000 0.995 126 S CA 0.696 58.862 58.200 -0.056 0.000 0.934 126 S CB -0.348 62.831 63.200 -0.036 0.000 0.771 126 S HN 0.719 nan 8.310 nan 0.000 0.522 127 Q N 0.788 120.572 119.800 -0.027 0.000 2.198 127 Q HA 0.478 4.817 4.340 -0.001 0.000 0.209 127 Q C 0.172 176.184 176.000 0.020 0.000 0.848 127 Q CA -0.171 55.630 55.803 -0.003 0.000 0.974 127 Q CB 0.689 29.415 28.738 -0.021 0.000 1.115 127 Q HN 0.634 nan 8.270 nan 0.000 0.494 128 A N 2.681 125.528 122.820 0.045 0.000 2.520 128 A HA 0.242 4.562 4.320 -0.001 0.000 0.245 128 A C -2.251 175.456 177.584 0.204 0.000 1.072 128 A CA -0.900 51.197 52.037 0.099 0.000 0.761 128 A CB -0.153 18.870 19.000 0.038 0.000 1.004 128 A HN -0.016 nan 8.150 nan 0.000 0.499 129 P HA 0.136 nan 4.420 nan 0.000 0.271 129 P C 0.830 178.136 177.300 0.010 0.000 1.226 129 P CA -0.378 62.753 63.100 0.052 0.000 0.765 129 P CB 0.609 32.320 31.700 0.019 0.000 0.835 130 R N 2.632 123.006 120.500 -0.211 0.000 2.096 130 R HA -0.139 4.200 4.340 -0.001 0.000 0.235 130 R C 1.367 177.454 176.300 -0.355 0.000 1.127 130 R CA 1.825 57.568 56.100 -0.595 0.000 0.968 130 R CB -0.368 29.662 30.300 -0.451 0.000 0.861 130 R HN 0.546 nan 8.270 nan 0.000 0.440 131 Q N -0.868 118.840 119.800 -0.154 0.000 2.451 131 Q HA 0.129 4.469 4.340 -0.001 0.000 0.206 131 Q C 0.514 176.503 176.000 -0.017 0.000 0.947 131 Q CA 0.415 56.172 55.803 -0.076 0.000 0.937 131 Q CB 0.223 28.934 28.738 -0.045 0.000 1.025 131 Q HN 0.266 nan 8.270 nan 0.000 0.511 132 G N 0.082 108.891 108.800 0.014 0.000 2.353 132 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.239 132 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.239 132 G C 0.397 175.334 174.900 0.061 0.000 1.295 132 G CA -0.313 44.820 45.100 0.055 0.000 0.884 132 G HN 0.313 nan 8.290 nan 0.000 0.537 133 L N 1.433 122.675 121.223 0.032 0.000 2.456 133 L HA 0.065 4.404 4.340 -0.001 0.000 0.224 133 L C 1.627 178.504 176.870 0.013 0.000 1.148 133 L CA 0.690 55.538 54.840 0.013 0.000 0.825 133 L CB -0.167 41.882 42.059 -0.017 0.000 0.937 133 L HN 0.454 nan 8.230 nan 0.000 0.450 134 L N -1.508 119.728 121.223 0.021 0.000 3.202 134 L HA 0.152 4.491 4.340 -0.001 0.000 0.278 134 L C 0.058 176.939 176.870 0.018 0.000 1.268 134 L CA -0.643 54.195 54.840 -0.002 0.000 1.034 134 L CB -0.010 42.024 42.059 -0.041 0.000 1.407 134 L HN 0.047 nan 8.230 nan 0.000 0.581 135 Y N 1.665 121.940 120.300 -0.041 0.000 2.852 135 Y HA 0.094 4.642 4.550 -0.002 0.000 0.343 135 Y C 1.486 177.361 175.900 -0.041 0.000 1.280 135 Y CA 1.233 59.309 58.100 -0.040 0.000 1.604 135 Y CB 0.324 38.767 38.460 -0.029 0.000 1.216 135 Y HN 0.399 nan 8.280 nan 0.000 0.541 136 G N 3.560 111.987 108.800 -0.622 0.000 2.162 136 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.260 136 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.260 136 G C -0.308 174.426 174.900 -0.277 0.000 0.976 136 G CA 0.085 44.843 45.100 -0.570 0.000 0.655 136 G HN 0.738 nan 8.290 nan 0.000 0.533 137 V N 2.450 122.247 119.914 -0.195 0.000 2.427 137 V HA 0.337 4.457 4.120 -0.001 0.000 0.268 137 V C -1.473 174.529 176.094 -0.154 0.000 1.046 137 V CA -1.231 60.971 62.300 -0.163 0.000 0.970 137 V CB 1.085 32.833 31.823 -0.125 0.000 1.001 137 V HN 0.128 nan 8.190 nan 0.000 0.476 138 P HA 0.179 nan 4.420 nan 0.000 0.267 138 P C -0.691 176.597 177.300 -0.021 0.000 1.205 138 P CA 0.194 63.178 63.100 -0.192 0.000 0.765 138 P CB 0.672 31.971 31.700 -0.669 0.000 0.828 139 V N 2.966 122.994 119.914 0.189 0.000 2.656 139 V HA 0.425 4.544 4.120 -0.001 0.000 0.307 139 V C 0.099 176.198 176.094 0.009 0.000 1.051 139 V CA -0.586 61.754 62.300 0.067 0.000 0.893 139 V CB 2.125 33.922 31.823 -0.044 0.000 0.999 139 V HN 0.587 nan 8.190 nan 0.000 0.426 140 S N 5.153 120.773 115.700 -0.133 0.000 2.541 140 S HA 0.850 5.319 4.470 -0.001 0.000 0.283 140 S C -0.836 173.634 174.600 -0.217 0.000 1.196 140 S CA -0.725 57.276 58.200 -0.332 0.000 1.062 140 S CB 1.298 64.308 63.200 -0.318 0.000 1.009 140 S HN 0.516 nan 8.310 nan 0.000 0.502 141 L N 2.061 123.176 121.223 -0.180 0.000 2.362 141 L HA 0.525 4.865 4.340 -0.001 0.000 0.275 141 L C 0.229 177.173 176.870 0.123 0.000 0.998 141 L CA -0.924 53.882 54.840 -0.057 0.000 0.820 141 L CB 1.775 43.847 42.059 0.023 0.000 1.270 141 L HN 0.748 nan 8.230 nan 0.000 0.415 142 K N 2.148 122.672 120.400 0.207 0.000 2.518 142 K HA -0.082 4.237 4.320 -0.001 0.000 0.276 142 K C 1.049 177.729 176.600 0.134 0.000 0.974 142 K CA 0.169 56.576 56.287 0.200 0.000 0.986 142 K CB 0.683 33.348 32.500 0.275 0.000 0.901 142 K HN 0.678 nan 8.250 nan 0.000 0.497 143 E N 2.327 122.460 120.200 -0.112 0.000 2.267 143 E HA -0.215 4.134 4.350 -0.001 0.000 0.197 143 E C 1.497 177.851 176.600 -0.411 0.000 0.998 143 E CA 1.573 57.676 56.400 -0.494 0.000 0.830 143 E CB -0.093 29.424 29.700 -0.305 0.000 0.751 143 E HN 0.794 nan 8.360 nan 0.000 0.491 144 C N -0.512 118.682 119.300 -0.178 0.000 2.522 144 C HA 0.126 4.586 4.460 -0.001 0.000 0.271 144 C C 1.062 175.942 174.990 -0.184 0.000 1.425 144 C CA -0.768 58.141 59.018 -0.182 0.000 1.751 144 C CB -1.736 25.872 27.740 -0.219 0.000 1.775 144 C HN 0.034 nan 8.230 nan 0.000 0.557 145 F N 3.232 123.194 119.950 0.020 0.000 2.464 145 F HA 0.280 4.806 4.527 -0.002 0.000 0.353 145 F C 1.101 177.038 175.800 0.228 0.000 1.191 145 F CA 0.082 58.152 58.000 0.118 0.000 1.147 145 F CB -0.090 38.987 39.000 0.128 0.000 1.294 145 F HN 0.050 nan 8.300 nan 0.000 0.583 146 S N 3.223 119.084 115.700 0.269 0.000 2.593 146 S HA -0.068 4.402 4.470 -0.001 0.000 0.300 146 S C -0.735 174.048 174.600 0.304 0.000 1.267 146 S CA 0.306 58.664 58.200 0.262 0.000 1.065 146 S CB -0.015 63.276 63.200 0.152 0.000 0.807 146 S HN 0.509 nan 8.310 nan 0.000 0.499 147 Y N 2.152 122.551 120.300 0.166 0.000 2.421 147 Y HA 0.342 4.893 4.550 0.002 0.000 0.339 147 Y C -0.052 175.887 175.900 0.065 0.000 0.996 147 Y CA -0.982 57.130 58.100 0.021 0.000 1.046 147 Y CB 1.027 39.349 38.460 -0.230 0.000 1.226 147 Y HN 0.591 nan 8.280 nan 0.000 0.445 148 K N 3.332 123.629 120.400 -0.172 0.000 2.511 148 K HA 0.249 4.569 4.320 -0.001 0.000 0.280 148 K C 1.078 177.805 176.600 0.211 0.000 1.008 148 K CA 1.709 57.986 56.287 -0.018 0.000 1.050 148 K CB -0.093 32.317 32.500 -0.150 0.000 0.889 148 K HN 1.090 nan 8.250 nan 0.000 0.484 149 G N 2.942 111.853 108.800 0.186 0.000 2.234 149 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.260 149 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.260 149 G C -0.131 174.875 174.900 0.177 0.000 0.987 149 G CA 0.255 45.464 45.100 0.182 0.000 0.625 149 G HN 0.804 nan 8.290 nan 0.000 0.532 150 H N 0.888 120.055 119.070 0.161 0.000 2.492 150 H HA 0.373 4.928 4.556 -0.002 0.000 0.345 150 H C -0.654 174.793 175.328 0.198 0.000 1.136 150 H CA -0.984 55.174 56.048 0.183 0.000 1.202 150 H CB 1.373 31.263 29.762 0.214 0.000 1.524 150 H HN 0.146 nan 8.280 nan 0.000 0.506 151 D N 1.105 121.668 120.400 0.271 0.000 2.449 151 D HA 0.001 4.641 4.640 -0.001 0.000 0.236 151 D C -0.181 176.252 176.300 0.222 0.000 1.149 151 D CA 0.541 54.668 54.000 0.212 0.000 0.878 151 D CB 0.693 41.605 40.800 0.187 0.000 1.198 151 D HN 0.320 nan 8.370 nan 0.000 0.446 152 S N 0.342 116.123 115.700 0.136 0.000 2.426 152 S HA 0.115 4.585 4.470 -0.001 0.000 0.236 152 S C 1.443 176.076 174.600 0.055 0.000 1.368 152 S CA -0.631 57.594 58.200 0.043 0.000 1.154 152 S CB 0.693 63.902 63.200 0.015 0.000 1.037 152 S HN 0.532 nan 8.310 nan 0.000 0.481 153 T N 0.380 114.993 114.554 0.099 0.000 2.867 153 T HA -0.048 4.302 4.350 -0.001 0.000 0.268 153 T C 1.101 175.828 174.700 0.044 0.000 1.057 153 T CA 0.561 62.718 62.100 0.094 0.000 1.136 153 T CB -0.784 68.189 68.868 0.174 0.000 0.874 153 T HN 0.615 nan 8.240 nan 0.000 0.466 154 L N 0.489 121.740 121.223 0.047 0.000 3.976 154 L HA -0.229 4.111 4.340 -0.001 0.000 0.418 154 L C 1.414 178.308 176.870 0.040 0.000 1.177 154 L CA 0.332 55.189 54.840 0.028 0.000 0.968 154 L CB -2.702 39.353 42.059 -0.008 0.000 1.933 154 L HN 0.709 nan 8.230 nan 0.000 0.976 155 G N -0.629 108.225 108.800 0.091 0.000 2.168 155 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.263 155 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.263 155 G C 0.090 174.968 174.900 -0.037 0.000 0.977 155 G CA 0.586 45.722 45.100 0.061 0.000 0.659 155 G HN 0.362 nan 8.290 nan 0.000 0.533 156 L N 0.671 121.846 121.223 -0.080 0.000 2.282 156 L HA 0.546 4.886 4.340 -0.001 0.000 0.288 156 L C 1.803 178.609 176.870 -0.106 0.000 1.033 156 L CA 0.082 54.825 54.840 -0.161 0.000 0.807 156 L CB 1.650 43.556 42.059 -0.255 0.000 1.209 156 L HN 0.155 nan 8.230 nan 0.000 0.423 157 S N 3.671 119.311 115.700 -0.100 0.000 2.387 157 S HA -0.195 4.275 4.470 -0.001 0.000 0.230 157 S C 1.695 176.258 174.600 -0.062 0.000 1.035 157 S CA 2.018 60.177 58.200 -0.067 0.000 1.014 157 S CB -0.241 62.928 63.200 -0.052 0.000 0.836 157 S HN 0.668 nan 8.310 nan 0.000 0.466 158 L N 0.216 121.391 121.223 -0.081 0.000 2.275 158 L HA 0.123 4.463 4.340 -0.001 0.000 0.215 158 L C 1.034 177.883 176.870 -0.034 0.000 1.119 158 L CA 1.464 56.268 54.840 -0.059 0.000 0.790 158 L CB -0.511 41.505 42.059 -0.072 0.000 0.919 158 L HN 0.164 nan 8.230 nan 0.000 0.443 159 N N 0.538 119.219 118.700 -0.032 0.000 2.322 159 N HA 0.030 4.770 4.740 -0.001 0.000 0.194 159 N C 0.060 175.583 175.510 0.021 0.000 1.126 159 N CA 0.190 53.240 53.050 0.001 0.000 0.845 159 N CB 0.019 38.510 38.487 0.007 0.000 0.976 159 N HN 0.488 nan 8.380 nan 0.000 0.475 160 E N 0.440 120.644 120.200 0.006 0.000 2.283 160 E HA 0.294 4.644 4.350 -0.001 0.000 0.278 160 E C 0.434 177.046 176.600 0.019 0.000 1.027 160 E CA -0.180 56.230 56.400 0.016 0.000 0.843 160 E CB 0.749 30.440 29.700 -0.015 0.000 1.062 160 E HN 0.347 nan 8.360 nan 0.000 0.401 161 G N 4.871 113.691 108.800 0.034 0.000 2.221 161 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.265 161 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.265 161 G C 0.131 175.049 174.900 0.030 0.000 1.041 161 G CA 0.459 45.576 45.100 0.028 0.000 0.807 161 G HN 0.353 nan 8.290 nan 0.000 0.502 162 M N 0.759 120.385 119.600 0.043 0.000 2.693 162 M HA 0.248 4.728 4.480 -0.001 0.000 0.224 162 M C -2.523 173.815 176.300 0.064 0.000 1.149 162 M CA -1.935 53.391 55.300 0.043 0.000 0.622 162 M CB 1.031 33.652 32.600 0.036 0.000 1.443 162 M HN 0.097 nan 8.290 nan 0.000 0.431 163 P HA 0.212 nan 4.420 nan 0.000 0.275 163 P C -0.136 177.220 177.300 0.093 0.000 1.228 163 P CA 0.042 63.199 63.100 0.095 0.000 0.786 163 P CB 0.734 32.478 31.700 0.073 0.000 0.927 164 S N 1.359 117.135 115.700 0.126 0.000 2.560 164 S HA -0.023 4.447 4.470 -0.001 0.000 0.284 164 S C 1.424 176.064 174.600 0.067 0.000 1.327 164 S CA -0.192 58.067 58.200 0.098 0.000 1.055 164 S CB 0.515 63.787 63.200 0.121 0.000 0.868 164 S HN 0.562 nan 8.310 nan 0.000 0.506 165 E N 1.569 121.793 120.200 0.039 0.000 2.208 165 E HA -0.053 4.296 4.350 -0.001 0.000 0.193 165 E C 0.441 177.041 176.600 0.001 0.000 0.988 165 E CA 0.682 57.093 56.400 0.020 0.000 0.828 165 E CB 0.269 29.976 29.700 0.011 0.000 0.763 165 E HN 0.683 nan 8.360 nan 0.000 0.478 166 S N -1.056 114.641 115.700 -0.004 0.000 2.615 166 S HA 0.342 4.811 4.470 -0.001 0.000 0.269 166 S C -1.318 173.244 174.600 -0.062 0.000 1.161 166 S CA -1.233 56.940 58.200 -0.045 0.000 0.817 166 S CB 1.085 64.264 63.200 -0.035 0.000 1.131 166 S HN -0.079 nan 8.310 nan 0.000 0.467 167 D N 1.559 121.877 120.400 -0.137 0.000 2.382 167 D HA 0.357 4.997 4.640 -0.001 0.000 0.245 167 D C 0.987 177.273 176.300 -0.023 0.000 1.120 167 D CA -0.310 53.605 54.000 -0.142 0.000 0.890 167 D CB 0.579 41.232 40.800 -0.245 0.000 1.201 167 D HN 0.887 nan 8.370 nan 0.000 0.433 168 C N 0.333 119.665 119.300 0.053 0.000 2.705 168 C HA 0.168 4.628 4.460 -0.001 0.000 0.365 168 C C 2.140 177.177 174.990 0.078 0.000 1.353 168 C CA -0.862 58.211 59.018 0.092 0.000 2.339 168 C CB -0.048 27.793 27.740 0.168 0.000 2.576 168 C HN 0.483 nan 8.230 nan 0.000 0.716 169 V N 2.195 122.161 119.914 0.087 0.000 2.295 169 V HA -0.183 3.937 4.120 -0.001 0.000 0.246 169 V C 2.626 178.756 176.094 0.060 0.000 1.049 169 V CA 2.565 64.903 62.300 0.064 0.000 1.024 169 V CB -0.895 30.973 31.823 0.075 0.000 0.648 169 V HN 0.989 nan 8.190 nan 0.000 0.447 170 V N -2.103 117.873 119.914 0.103 0.000 2.626 170 V HA -0.133 3.986 4.120 -0.001 0.000 0.252 170 V C 2.198 178.297 176.094 0.009 0.000 1.067 170 V CA 1.719 64.057 62.300 0.062 0.000 1.081 170 V CB -0.869 31.015 31.823 0.100 0.000 0.686 170 V HN 0.308 nan 8.190 nan 0.000 0.468 171 V N 0.310 120.250 119.914 0.042 0.000 2.427 171 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 171 V C 2.816 178.894 176.094 -0.027 0.000 1.051 171 V CA 2.328 64.638 62.300 0.017 0.000 1.048 171 V CB -0.802 31.073 31.823 0.088 0.000 0.666 171 V HN 0.552 nan 8.190 nan 0.000 0.456 172 Q N -0.405 119.372 119.800 -0.038 0.000 2.061 172 Q HA -0.184 4.156 4.340 -0.001 0.000 0.204 172 Q C 2.357 178.300 176.000 -0.095 0.000 0.984 172 Q CA 2.030 57.789 55.803 -0.073 0.000 0.846 172 Q CB -0.325 28.377 28.738 -0.060 0.000 0.902 172 Q HN 0.554 nan 8.270 nan 0.000 0.421 173 V N 1.101 120.973 119.914 -0.071 0.000 2.343 173 V HA -0.260 3.860 4.120 -0.001 0.000 0.247 173 V C 2.237 178.278 176.094 -0.089 0.000 1.051 173 V CA 1.438 63.687 62.300 -0.086 0.000 1.036 173 V CB -0.591 31.205 31.823 -0.046 0.000 0.654 173 V HN 0.348 nan 8.190 nan 0.000 0.451 174 L N -0.349 120.831 121.223 -0.071 0.000 1.990 174 L HA -0.268 4.072 4.340 -0.001 0.000 0.213 174 L C 2.668 179.497 176.870 -0.068 0.000 1.072 174 L CA 1.999 56.797 54.840 -0.070 0.000 0.755 174 L CB -0.615 41.401 42.059 -0.071 0.000 0.889 174 L HN 0.305 nan 8.230 nan 0.000 0.432 175 K N -0.106 120.252 120.400 -0.070 0.000 2.057 175 K HA -0.135 4.185 4.320 -0.001 0.000 0.206 175 K C 2.048 178.590 176.600 -0.098 0.000 1.050 175 K CA 1.071 57.316 56.287 -0.070 0.000 0.935 175 K CB -0.203 32.255 32.500 -0.068 0.000 0.715 175 K HN 0.235 nan 8.250 nan 0.000 0.439 176 L N 1.049 122.173 121.223 -0.165 0.000 2.265 176 L HA -0.163 4.177 4.340 -0.001 0.000 0.215 176 L C 1.987 178.761 176.870 -0.160 0.000 1.117 176 L CA 0.824 55.503 54.840 -0.269 0.000 0.782 176 L CB -0.129 41.550 42.059 -0.633 0.000 0.914 176 L HN 0.179 nan 8.230 nan 0.000 0.441 177 Q N -0.335 119.414 119.800 -0.085 0.000 2.320 177 Q HA 0.113 4.452 4.340 -0.001 0.000 0.201 177 Q C 1.501 177.509 176.000 0.014 0.000 0.910 177 Q CA 0.743 56.537 55.803 -0.014 0.000 0.946 177 Q CB 0.792 29.519 28.738 -0.018 0.000 1.062 177 Q HN 0.556 nan 8.270 nan 0.000 0.503 178 G N 0.369 109.176 108.800 0.012 0.000 2.195 178 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.246 178 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.246 178 G C 0.473 175.359 174.900 -0.022 0.000 0.984 178 G CA 0.145 45.283 45.100 0.064 0.000 0.633 178 G HN 0.591 nan 8.290 nan 0.000 0.525 179 A N -0.545 122.248 122.820 -0.045 0.000 2.386 179 A HA 0.658 4.977 4.320 -0.001 0.000 0.246 179 A C 0.438 177.982 177.584 -0.067 0.000 1.089 179 A CA 0.713 52.708 52.037 -0.070 0.000 0.790 179 A CB 0.946 19.909 19.000 -0.062 0.000 1.042 179 A HN 1.199 nan 8.150 nan 0.000 0.497 180 V N 2.890 122.771 119.914 -0.054 0.000 2.327 180 V HA 0.262 4.381 4.120 -0.001 0.000 0.272 180 V C -2.565 173.585 176.094 0.094 0.000 1.019 180 V CA -1.276 61.011 62.300 -0.021 0.000 0.814 180 V CB 0.976 32.748 31.823 -0.084 0.000 1.040 180 V HN 0.700 nan 8.190 nan 0.000 0.440 181 P HA 0.188 nan 4.420 nan 0.000 0.271 181 P C 0.063 177.376 177.300 0.022 0.000 1.220 181 P CA 0.098 63.211 63.100 0.021 0.000 0.768 181 P CB 0.376 32.055 31.700 -0.035 0.000 0.848 182 F N 3.101 122.953 119.950 -0.164 0.000 2.819 182 F HA 0.350 4.876 4.527 -0.002 0.000 0.325 182 F C -0.164 175.559 175.800 -0.129 0.000 1.041 182 F CA -0.321 57.618 58.000 -0.101 0.000 1.184 182 F CB -0.064 38.994 39.000 0.096 0.000 1.019 182 F HN 0.091 nan 8.300 nan 0.000 0.590 183 V N -1.366 118.068 119.914 -0.800 0.000 3.078 183 V HA 0.551 4.670 4.120 -0.001 0.000 0.311 183 V C -1.217 174.635 176.094 -0.403 0.000 1.138 183 V CA -0.983 60.998 62.300 -0.532 0.000 1.007 183 V CB 1.422 32.942 31.823 -0.504 0.000 1.045 183 V HN 0.286 nan 8.190 nan 0.000 0.432 184 H N 1.248 120.146 119.070 -0.288 0.000 2.467 184 H HA 0.706 5.262 4.556 -0.000 0.000 0.331 184 H C 0.110 175.316 175.328 -0.204 0.000 1.120 184 H CA 0.076 55.999 56.048 -0.208 0.000 1.270 184 H CB 1.772 31.443 29.762 -0.152 0.000 1.466 184 H HN 1.043 nan 8.280 nan 0.000 0.504 185 T N 0.570 115.105 114.554 -0.032 0.000 2.932 185 T HA 0.197 4.547 4.350 -0.001 0.000 0.289 185 T C 0.135 174.784 174.700 -0.085 0.000 1.039 185 T CA -1.204 60.848 62.100 -0.081 0.000 1.024 185 T CB 1.700 70.531 68.868 -0.062 0.000 1.090 185 T HN 0.431 nan 8.240 nan 0.000 0.496 186 N N 0.268 118.920 118.700 -0.080 0.000 2.482 186 N HA 0.448 5.188 4.740 -0.001 0.000 0.260 186 N C -0.422 175.089 175.510 0.001 0.000 1.236 186 N CA -0.280 52.736 53.050 -0.055 0.000 0.938 186 N CB 0.736 39.210 38.487 -0.021 0.000 1.128 186 N HN 0.806 nan 8.380 nan 0.000 0.448 187 V N -0.052 119.881 119.914 0.032 0.000 3.040 187 V HA 0.772 4.891 4.120 -0.001 0.000 0.312 187 V C -2.628 173.513 176.094 0.079 0.000 1.115 187 V CA -2.177 60.153 62.300 0.051 0.000 0.998 187 V CB 1.944 33.792 31.823 0.041 0.000 1.042 187 V HN 0.621 nan 8.190 nan 0.000 0.433 188 P HA 0.103 nan 4.420 nan 0.000 0.272 188 P C -0.560 176.820 177.300 0.133 0.000 1.223 188 P CA -0.030 63.130 63.100 0.100 0.000 0.784 188 P CB 0.565 32.318 31.700 0.087 0.000 0.923 189 Q N 2.015 121.907 119.800 0.154 0.000 2.269 189 Q HA 0.015 4.354 4.340 -0.001 0.000 0.300 189 Q C 0.830 176.966 176.000 0.227 0.000 1.070 189 Q CA 1.345 57.242 55.803 0.157 0.000 0.957 189 Q CB -0.131 28.723 28.738 0.193 0.000 1.131 189 Q HN 0.719 nan 8.270 nan 0.000 0.377 190 S N 3.311 119.077 115.700 0.110 0.000 2.769 190 S HA -0.358 4.112 4.470 -0.001 0.000 0.264 190 S C 0.725 175.488 174.600 0.272 0.000 1.288 190 S CA 1.698 60.000 58.200 0.170 0.000 1.378 190 S CB -1.654 61.776 63.200 0.382 0.000 1.702 190 S HN 1.035 nan 8.310 nan 0.000 0.656 191 M N -2.856 116.878 119.600 0.222 0.000 2.891 191 M HA -0.232 4.247 4.480 -0.001 0.000 0.178 191 M C 0.171 176.603 176.300 0.221 0.000 0.649 191 M CA 1.649 57.055 55.300 0.177 0.000 0.675 191 M CB -1.980 30.683 32.600 0.105 0.000 2.440 191 M HN 0.563 nan 8.290 nan 0.000 0.288 192 F N 2.197 122.274 119.950 0.211 0.000 2.626 192 F HA 0.526 5.053 4.527 -0.001 0.000 0.353 192 F C 0.401 176.277 175.800 0.126 0.000 1.230 192 F CA 0.741 58.824 58.000 0.138 0.000 1.298 192 F CB 0.434 39.487 39.000 0.089 0.000 1.670 192 F HN 0.082 nan 8.300 nan 0.000 0.633 193 S N 2.872 118.572 115.700 0.000 0.000 2.597 193 S HA 0.235 4.704 4.470 -0.001 0.000 0.274 193 S C -0.788 173.807 174.600 -0.008 0.000 1.132 193 S CA -0.589 57.615 58.200 0.006 0.000 0.835 193 S CB 0.383 63.619 63.200 0.060 0.000 1.092 193 S HN 0.448 nan 8.310 nan 0.000 0.457 194 Y N 0.938 121.100 120.300 -0.230 0.000 2.696 194 Y HA 0.611 5.161 4.550 -0.001 0.000 0.260 194 Y C 0.068 175.834 175.900 -0.223 0.000 1.165 194 Y CA -0.660 57.233 58.100 -0.345 0.000 1.189 194 Y CB 0.075 37.953 38.460 -0.970 0.000 1.180 194 Y HN 0.492 nan 8.280 nan 0.000 0.538 195 D N 0.006 120.251 120.400 -0.258 0.000 2.595 195 D HA 0.348 4.987 4.640 -0.001 0.000 0.268 195 D C -0.684 175.598 176.300 -0.030 0.000 1.181 195 D CA -0.787 53.126 54.000 -0.145 0.000 1.085 195 D CB 2.134 42.835 40.800 -0.165 0.000 1.186 195 D HN 0.181 nan 8.370 nan 0.000 0.621 196 C N 1.236 120.539 119.300 0.004 0.000 3.235 196 C HA 0.536 4.995 4.460 -0.001 0.000 0.198 196 C C -0.795 174.222 174.990 0.045 0.000 1.527 196 C CA -0.248 58.791 59.018 0.036 0.000 1.167 196 C CB -1.538 26.230 27.740 0.046 0.000 1.938 196 C HN 0.359 nan 8.230 nan 0.000 0.593 197 S N 2.394 118.123 115.700 0.048 0.000 2.542 197 S HA 0.870 5.340 4.470 -0.001 0.000 0.293 197 S C -0.761 173.887 174.600 0.081 0.000 1.089 197 S CA -0.314 57.921 58.200 0.058 0.000 0.961 197 S CB 1.227 64.449 63.200 0.036 0.000 1.062 197 S HN 0.889 nan 8.310 nan 0.000 0.483 198 N N 2.090 120.843 118.700 0.088 0.000 2.610 198 N HA 0.590 5.330 4.740 -0.001 0.000 0.264 198 N C -2.876 172.660 175.510 0.043 0.000 1.348 198 N CA -1.567 51.535 53.050 0.087 0.000 0.819 198 N CB 1.236 39.789 38.487 0.110 0.000 1.521 198 N HN 0.191 nan 8.380 nan 0.000 0.497 199 P HA 0.108 nan 4.420 nan 0.000 0.237 199 P C 0.567 177.804 177.300 -0.105 0.000 1.178 199 P CA 0.580 63.654 63.100 -0.043 0.000 0.766 199 P CB 0.323 32.031 31.700 0.012 0.000 0.876 200 L N -2.542 118.587 121.223 -0.157 0.000 2.121 200 L HA 0.071 4.410 4.340 -0.001 0.000 0.200 200 L C 1.751 178.334 176.870 -0.479 0.000 1.077 200 L CA 1.331 55.929 54.840 -0.402 0.000 0.766 200 L CB -0.633 41.035 42.059 -0.652 0.000 0.931 200 L HN -0.110 nan 8.230 nan 0.000 0.452 201 F N -0.399 119.556 119.950 0.008 0.000 2.749 201 F HA 0.360 4.886 4.527 -0.001 0.000 0.300 201 F C 1.489 177.287 175.800 -0.003 0.000 1.103 201 F CA 0.313 58.317 58.000 0.007 0.000 1.342 201 F CB 0.127 39.136 39.000 0.015 0.000 1.098 201 F HN 0.203 nan 8.300 nan 0.000 0.586 202 G N 0.903 109.770 108.800 0.111 0.000 2.542 202 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.235 202 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.235 202 G C -0.636 174.308 174.900 0.074 0.000 1.286 202 G CA -0.430 44.706 45.100 0.061 0.000 0.904 202 G HN 0.341 nan 8.290 nan 0.000 0.577 203 Q N 0.081 119.908 119.800 0.045 0.000 2.307 203 Q HA 0.613 4.952 4.340 -0.001 0.000 0.262 203 Q C -0.396 175.624 176.000 0.033 0.000 0.961 203 Q CA -0.321 55.503 55.803 0.035 0.000 0.882 203 Q CB 1.044 29.792 28.738 0.017 0.000 1.264 203 Q HN 0.617 nan 8.270 nan 0.000 0.446 204 T N 4.826 119.402 114.554 0.037 0.000 2.845 204 T HA 0.434 4.784 4.350 -0.001 0.000 0.288 204 T C -0.169 174.553 174.700 0.036 0.000 0.980 204 T CA -0.214 61.905 62.100 0.032 0.000 1.071 204 T CB 0.600 69.489 68.868 0.036 0.000 0.941 204 T HN 0.580 nan 8.240 nan 0.000 0.487 205 M N 2.920 122.540 119.600 0.032 0.000 2.508 205 M HA 0.352 4.831 4.480 -0.001 0.000 0.327 205 M C 0.474 176.814 176.300 0.067 0.000 1.160 205 M CA -0.935 54.389 55.300 0.040 0.000 0.980 205 M CB 1.237 33.849 32.600 0.021 0.000 1.693 205 M HN 0.444 nan 8.290 nan 0.000 0.452 206 N N 3.608 122.364 118.700 0.094 0.000 2.483 206 N HA 0.090 4.829 4.740 -0.001 0.000 0.264 206 N C -1.896 173.698 175.510 0.139 0.000 1.197 206 N CA -0.999 52.142 53.050 0.152 0.000 0.927 206 N CB 1.064 39.652 38.487 0.169 0.000 1.065 206 N HN 0.380 nan 8.380 nan 0.000 0.461 207 P HA -0.020 nan 4.420 nan 0.000 0.233 207 P C 0.627 177.907 177.300 -0.034 0.000 1.167 207 P CA 0.886 63.992 63.100 0.011 0.000 0.770 207 P CB 0.004 31.664 31.700 -0.066 0.000 0.837 208 W N 0.769 122.076 121.300 0.011 0.000 2.737 208 W HA 0.233 4.892 4.660 -0.001 0.000 0.262 208 W C 0.989 177.503 176.519 -0.007 0.000 1.282 208 W CA 0.418 57.765 57.345 0.003 0.000 1.386 208 W CB 0.300 29.763 29.460 0.006 0.000 1.099 208 W HN -0.148 nan 8.180 nan 0.000 0.621 209 K N -0.151 120.370 120.400 0.201 0.000 2.575 209 K HA 0.044 4.364 4.320 -0.001 0.000 0.271 209 K C 0.568 177.208 176.600 0.067 0.000 1.013 209 K CA 0.177 56.527 56.287 0.106 0.000 0.939 209 K CB 0.928 33.482 32.500 0.090 0.000 1.328 209 K HN -0.147 nan 8.250 nan 0.000 0.450 210 S N 0.376 116.099 115.700 0.038 0.000 2.522 210 S HA -0.108 4.362 4.470 -0.001 0.000 0.227 210 S C 1.347 175.955 174.600 0.014 0.000 0.986 210 S CA 1.015 59.228 58.200 0.023 0.000 0.929 210 S CB -0.064 63.140 63.200 0.007 0.000 0.769 210 S HN 0.583 nan 8.310 nan 0.000 0.529 211 S N 0.449 116.155 115.700 0.009 0.000 2.603 211 S HA 0.233 4.702 4.470 -0.001 0.000 0.220 211 S C 0.489 175.083 174.600 -0.009 0.000 0.967 211 S CA -0.298 57.900 58.200 -0.003 0.000 0.920 211 S CB -0.135 63.060 63.200 -0.009 0.000 0.773 211 S HN 0.191 nan 8.310 nan 0.000 0.529 212 K N 1.851 122.252 120.400 0.002 0.000 2.156 212 K HA 0.440 4.760 4.320 -0.001 0.000 0.254 212 K C -0.272 176.341 176.600 0.022 0.000 0.950 212 K CA -0.393 55.887 56.287 -0.012 0.000 0.849 212 K CB 1.738 34.224 32.500 -0.024 0.000 1.100 212 K HN 0.180 nan 8.250 nan 0.000 0.434 213 S N 2.305 118.018 115.700 0.022 0.000 2.562 213 S HA 0.131 4.601 4.470 -0.001 0.000 0.281 213 S C -1.489 173.233 174.600 0.204 0.000 1.333 213 S CA -1.099 57.159 58.200 0.097 0.000 1.052 213 S CB 0.415 63.684 63.200 0.114 0.000 0.884 213 S HN 0.327 nan 8.310 nan 0.000 0.506 214 P HA 0.208 nan 4.420 nan 0.000 0.245 214 P C 0.815 178.299 177.300 0.306 0.000 1.212 214 P CA 0.735 63.984 63.100 0.249 0.000 0.774 214 P CB -0.725 31.067 31.700 0.154 0.000 0.999 215 G N -0.883 108.130 108.800 0.355 0.000 2.725 215 G HA2 0.233 4.193 3.960 -0.001 0.000 0.220 215 G HA3 0.233 4.193 3.960 -0.001 0.000 0.220 215 G C -0.272 174.655 174.900 0.046 0.000 1.357 215 G CA -0.617 44.539 45.100 0.093 0.000 0.866 215 G HN 0.631 nan 8.290 nan 0.000 0.548 216 G N -2.770 106.046 108.800 0.026 0.000 2.342 216 G HA2 0.695 4.654 3.960 -0.001 0.000 0.297 216 G HA3 0.695 4.654 3.960 -0.001 0.000 0.297 216 G C 0.805 175.778 174.900 0.122 0.000 1.313 216 G CA 0.849 45.986 45.100 0.062 0.000 0.830 216 G HN 2.137 nan 8.290 nan 0.000 0.506 217 S N -0.949 114.807 115.700 0.093 0.000 2.522 217 S HA 0.054 4.523 4.470 -0.001 0.000 0.227 217 S C 1.387 176.022 174.600 0.059 0.000 0.986 217 S CA 1.173 59.411 58.200 0.063 0.000 0.929 217 S CB 0.093 63.327 63.200 0.056 0.000 0.769 217 S HN 0.651 nan 8.310 nan 0.000 0.529 218 S N 1.859 117.597 115.700 0.065 0.000 3.033 218 S HA 0.314 4.784 4.470 -0.001 0.000 0.258 218 S C 1.544 176.178 174.600 0.056 0.000 1.207 218 S CA 0.056 58.293 58.200 0.062 0.000 1.248 218 S CB -0.316 62.925 63.200 0.069 0.000 0.932 218 S HN 0.700 nan 8.310 nan 0.000 0.472 219 G N 1.897 110.729 108.800 0.055 0.000 2.403 219 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.216 219 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.216 219 G C 1.381 176.313 174.900 0.053 0.000 1.154 219 G CA 0.459 45.596 45.100 0.062 0.000 0.784 219 G HN 0.589 nan 8.290 nan 0.000 0.538 220 G N 0.703 109.523 108.800 0.032 0.000 2.442 220 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.219 220 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.219 220 G C 1.639 176.544 174.900 0.009 0.000 1.141 220 G CA 1.022 46.128 45.100 0.010 0.000 0.763 220 G HN 0.350 nan 8.290 nan 0.000 0.554 221 E N 0.692 120.902 120.200 0.017 0.000 2.077 221 E HA -0.075 4.275 4.350 -0.001 0.000 0.193 221 E C 2.785 179.407 176.600 0.037 0.000 0.989 221 E CA 1.027 57.435 56.400 0.014 0.000 0.800 221 E CB -0.798 28.914 29.700 0.020 0.000 0.746 221 E HN 0.362 nan 8.360 nan 0.000 0.452 222 G N 1.181 110.016 108.800 0.058 0.000 2.418 222 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 222 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 222 G C 1.737 176.701 174.900 0.107 0.000 1.158 222 G CA 1.330 46.484 45.100 0.090 0.000 0.771 222 G HN 0.393 nan 8.290 nan 0.000 0.545 223 A N 0.148 123.021 122.820 0.089 0.000 1.897 223 A HA 0.172 4.491 4.320 -0.001 0.000 0.215 223 A C 2.341 179.956 177.584 0.051 0.000 1.181 223 A CA 1.550 53.635 52.037 0.080 0.000 0.620 223 A CB -0.434 18.601 19.000 0.059 0.000 0.821 223 A HN 0.380 nan 8.150 nan 0.000 0.443 224 L N 0.137 121.382 121.223 0.035 0.000 1.976 224 L HA -0.091 4.249 4.340 -0.001 0.000 0.209 224 L C 2.284 179.189 176.870 0.057 0.000 1.071 224 L CA 1.880 56.739 54.840 0.033 0.000 0.746 224 L CB -0.479 41.584 42.059 0.007 0.000 0.890 224 L HN 0.434 nan 8.230 nan 0.000 0.432 225 I N -0.618 119.987 120.570 0.057 0.000 2.226 225 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 225 I C 2.363 178.530 176.117 0.083 0.000 1.100 225 I CA 1.298 62.640 61.300 0.070 0.000 1.374 225 I CB -1.033 36.998 38.000 0.052 0.000 1.057 225 I HN 0.428 nan 8.210 nan 0.000 0.413 226 G N 0.033 108.891 108.800 0.097 0.000 2.509 226 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.218 226 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.218 226 G C 1.489 176.407 174.900 0.031 0.000 1.124 226 G CA 0.961 46.141 45.100 0.133 0.000 0.776 226 G HN 0.525 nan 8.290 nan 0.000 0.547 227 S N -1.588 114.107 115.700 -0.008 0.000 2.554 227 S HA 0.444 4.914 4.470 -0.001 0.000 0.226 227 S C 1.513 176.094 174.600 -0.032 0.000 0.980 227 S CA 0.765 58.917 58.200 -0.080 0.000 0.939 227 S CB 0.481 63.629 63.200 -0.087 0.000 0.832 227 S HN 1.358 nan 8.310 nan 0.000 0.486 228 G N 0.553 109.373 108.800 0.033 0.000 2.159 228 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.227 228 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.227 228 G C 0.809 175.808 174.900 0.165 0.000 0.986 228 G CA -0.086 45.060 45.100 0.077 0.000 0.651 228 G HN 0.960 nan 8.290 nan 0.000 0.523 229 G N -0.607 108.293 108.800 0.167 0.000 2.920 229 G HA2 0.456 4.416 3.960 -0.001 0.000 0.208 229 G HA3 0.456 4.416 3.960 -0.001 0.000 0.208 229 G C 0.452 175.589 174.900 0.394 0.000 1.159 229 G CA 1.528 46.776 45.100 0.245 0.000 0.784 229 G HN 1.635 nan 8.290 nan 0.000 0.535 230 S N -0.637 115.236 115.700 0.289 0.000 2.548 230 S HA 0.503 4.973 4.470 -0.001 0.000 0.278 230 S C -2.532 172.036 174.600 -0.053 0.000 1.150 230 S CA -0.802 57.441 58.200 0.072 0.000 0.907 230 S CB 2.349 65.623 63.200 0.122 0.000 1.108 230 S HN -0.103 nan 8.310 nan 0.000 0.459 231 P HA 0.297 nan 4.420 nan 0.000 0.245 231 P C -0.238 177.001 177.300 -0.101 0.000 1.203 231 P CA 0.131 63.131 63.100 -0.167 0.000 0.792 231 P CB 0.114 31.635 31.700 -0.298 0.000 0.997 232 L N -0.882 120.277 121.223 -0.107 0.000 2.549 232 L HA 0.773 5.113 4.340 -0.001 0.000 0.259 232 L C -1.145 175.678 176.870 -0.079 0.000 0.934 232 L CA -0.532 54.259 54.840 -0.082 0.000 0.865 232 L CB 1.858 43.858 42.059 -0.098 0.000 1.352 232 L HN -0.020 nan 8.230 nan 0.000 0.410 233 G N 3.682 112.436 108.800 -0.077 0.000 2.672 233 G HA2 0.692 4.652 3.960 -0.001 0.000 0.292 233 G HA3 0.692 4.652 3.960 -0.001 0.000 0.292 233 G C -2.033 172.795 174.900 -0.121 0.000 1.375 233 G CA -0.748 44.293 45.100 -0.098 0.000 0.890 233 G HN 0.625 nan 8.290 nan 0.000 0.476 234 L N 0.503 121.609 121.223 -0.194 0.000 2.346 234 L HA 0.773 5.113 4.340 -0.001 0.000 0.276 234 L C 0.707 177.581 176.870 0.006 0.000 1.006 234 L CA -0.666 54.037 54.840 -0.229 0.000 0.817 234 L CB 2.084 43.731 42.059 -0.687 0.000 1.272 234 L HN 0.767 nan 8.230 nan 0.000 0.421 235 G N 0.491 109.395 108.800 0.173 0.000 3.140 235 G HA2 0.772 4.731 3.960 -0.001 0.000 0.271 235 G HA3 0.772 4.731 3.960 -0.001 0.000 0.271 235 G C -0.938 174.141 174.900 0.298 0.000 1.370 235 G CA -0.273 44.991 45.100 0.273 0.000 1.014 235 G HN 0.524 nan 8.290 nan 0.000 0.541 236 T N -2.400 112.243 114.554 0.149 0.000 2.865 236 T HA 0.686 5.036 4.350 -0.001 0.000 0.294 236 T C -1.941 172.776 174.700 0.029 0.000 1.119 236 T CA -0.716 61.423 62.100 0.066 0.000 1.007 236 T CB 2.707 71.555 68.868 -0.033 0.000 1.225 236 T HN 0.524 nan 8.240 nan 0.000 0.515 237 D N 0.351 120.754 120.400 0.004 0.000 2.738 237 D HA 0.303 4.943 4.640 -0.001 0.000 0.218 237 D C -0.403 175.878 176.300 -0.032 0.000 1.345 237 D CA -0.477 53.514 54.000 -0.015 0.000 0.943 237 D CB 1.945 42.733 40.800 -0.020 0.000 1.514 237 D HN 0.638 nan 8.370 nan 0.000 0.585 238 I N 1.782 122.321 120.570 -0.052 0.000 4.471 238 I HA 0.324 4.493 4.170 -0.001 0.000 0.326 238 I C 1.051 177.113 176.117 -0.092 0.000 1.300 238 I CA 0.189 61.449 61.300 -0.068 0.000 1.237 238 I CB 0.879 38.836 38.000 -0.072 0.000 1.195 238 I HN 0.451 nan 8.210 nan 0.000 0.427 239 G N -0.449 108.294 108.800 -0.096 0.000 4.385 239 G HA2 0.421 4.381 3.960 -0.001 0.000 0.283 239 G HA3 0.421 4.381 3.960 -0.001 0.000 0.283 239 G C 0.690 175.551 174.900 -0.064 0.000 1.020 239 G CA 0.374 45.420 45.100 -0.089 0.000 0.790 239 G HN 0.426 nan 8.290 nan 0.000 0.420 240 G N -0.239 108.493 108.800 -0.113 0.000 2.200 240 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.145 240 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.145 240 G C 0.981 175.757 174.900 -0.207 0.000 1.021 240 G CA 0.452 45.334 45.100 -0.363 0.000 0.720 240 G HN 0.301 nan 8.290 nan 0.000 0.494 241 S N -0.163 115.545 115.700 0.014 0.000 2.607 241 S HA 0.237 4.707 4.470 -0.001 0.000 0.224 241 S C 2.115 176.740 174.600 0.041 0.000 0.969 241 S CA 0.774 59.035 58.200 0.102 0.000 0.927 241 S CB -0.039 63.204 63.200 0.072 0.000 0.772 241 S HN 0.526 nan 8.310 nan 0.000 0.533 242 I N 0.519 121.079 120.570 -0.017 0.000 2.731 242 I HA 0.010 4.180 4.170 -0.001 0.000 0.260 242 I C 2.406 178.485 176.117 -0.063 0.000 1.138 242 I CA 0.641 61.932 61.300 -0.016 0.000 1.461 242 I CB -0.004 37.991 38.000 -0.008 0.000 1.128 242 I HN 0.126 nan 8.210 nan 0.000 0.438 243 R N 0.044 120.448 120.500 -0.160 0.000 2.093 243 R HA -0.032 4.308 4.340 -0.001 0.000 0.224 243 R C 2.218 178.348 176.300 -0.284 0.000 1.101 243 R CA 1.199 57.159 56.100 -0.233 0.000 0.979 243 R CB -0.289 29.823 30.300 -0.313 0.000 0.877 243 R HN 0.128 nan 8.270 nan 0.000 0.441 244 F N 1.397 121.193 119.950 -0.257 0.000 2.046 244 F HA -0.127 4.400 4.527 -0.001 0.000 0.297 244 F C -0.592 174.875 175.800 -0.555 0.000 1.123 244 F CA 1.145 58.810 58.000 -0.558 0.000 1.199 244 F CB -1.688 36.964 39.000 -0.581 0.000 0.972 244 F HN 0.021 nan 8.300 nan 0.000 0.474 245 P HA -0.114 nan 4.420 nan 0.000 0.215 245 P C 1.681 179.012 177.300 0.051 0.000 1.153 245 P CA 1.915 65.013 63.100 -0.004 0.000 0.853 245 P CB -0.141 31.585 31.700 0.042 0.000 0.788 246 S N 0.438 116.150 115.700 0.020 0.000 2.353 246 S HA -0.162 4.308 4.470 -0.001 0.000 0.222 246 S C 2.245 176.884 174.600 0.065 0.000 1.035 246 S CA 1.685 59.909 58.200 0.039 0.000 1.025 246 S CB -1.220 61.981 63.200 0.002 0.000 0.902 246 S HN 0.209 nan 8.310 nan 0.000 0.440 247 A N 1.385 124.232 122.820 0.045 0.000 1.865 247 A HA -0.066 4.254 4.320 -0.001 0.000 0.217 247 A C 1.863 179.605 177.584 0.262 0.000 1.191 247 A CA 1.512 53.620 52.037 0.118 0.000 0.623 247 A CB -0.900 18.176 19.000 0.128 0.000 0.826 247 A HN 0.449 nan 8.150 nan 0.000 0.444 248 F N -0.517 119.464 119.950 0.052 0.000 2.293 248 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 248 F C 2.290 178.092 175.800 0.004 0.000 1.086 248 F CA 0.049 58.067 58.000 0.029 0.000 1.375 248 F CB -1.134 37.922 39.000 0.092 0.000 1.045 248 F HN 0.240 nan 8.300 nan 0.000 0.516 249 C N -0.803 118.659 119.300 0.270 0.000 2.906 249 C HA 0.526 4.986 4.460 -0.001 0.000 0.274 249 C C 1.666 176.857 174.990 0.335 0.000 1.257 249 C CA 0.245 59.452 59.018 0.316 0.000 1.695 249 C CB -0.793 27.123 27.740 0.293 0.000 1.958 249 C HN 0.682 nan 8.230 nan 0.000 0.619 250 G N 2.225 111.105 108.800 0.134 0.000 2.248 250 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.263 250 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.263 250 G C -0.223 174.777 174.900 0.167 0.000 1.082 250 G CA 0.650 45.812 45.100 0.102 0.000 0.863 250 G HN 0.775 nan 8.290 nan 0.000 0.495 251 I N -4.013 116.631 120.570 0.123 0.000 3.322 251 I HA 0.826 4.996 4.170 -0.001 0.000 0.313 251 I C 0.386 176.533 176.117 0.050 0.000 1.129 251 I CA -1.710 59.647 61.300 0.095 0.000 0.963 251 I CB 1.655 39.716 38.000 0.102 0.000 1.273 251 I HN 0.042 nan 8.210 nan 0.000 0.473 252 C N 1.566 120.887 119.300 0.035 0.000 2.401 252 C HA 0.885 5.345 4.460 -0.001 0.000 0.365 252 C C 0.599 175.592 174.990 0.006 0.000 1.250 252 C CA 0.038 59.063 59.018 0.012 0.000 2.131 252 C CB 0.122 27.869 27.740 0.011 0.000 2.445 252 C HN 0.968 nan 8.230 nan 0.000 0.550 253 G N 1.565 110.360 108.800 -0.008 0.000 2.696 253 G HA2 0.634 4.594 3.960 -0.001 0.000 0.295 253 G HA3 0.634 4.594 3.960 -0.001 0.000 0.295 253 G C -2.059 172.833 174.900 -0.014 0.000 1.398 253 G CA -0.333 44.761 45.100 -0.011 0.000 0.920 253 G HN 0.618 nan 8.290 nan 0.000 0.492 254 L N 0.650 121.870 121.223 -0.005 0.000 2.381 254 L HA 0.675 5.014 4.340 -0.001 0.000 0.274 254 L C -0.252 176.622 176.870 0.007 0.000 0.988 254 L CA -0.885 53.957 54.840 0.003 0.000 0.824 254 L CB 1.910 43.980 42.059 0.018 0.000 1.263 254 L HN 0.453 nan 8.230 nan 0.000 0.410 255 K N 7.001 127.402 120.400 0.001 0.000 2.299 255 K HA 0.503 4.823 4.320 -0.001 0.000 0.268 255 K C -2.538 174.067 176.600 0.008 0.000 1.075 255 K CA -1.738 54.552 56.287 0.006 0.000 0.936 255 K CB 1.049 33.544 32.500 -0.008 0.000 1.228 255 K HN 0.368 nan 8.250 nan 0.000 0.454 256 P HA 0.010 nan 4.420 nan 0.000 0.272 256 P C -0.655 176.608 177.300 -0.061 0.000 1.254 256 P CA -0.263 62.835 63.100 -0.004 0.000 0.795 256 P CB 0.312 32.032 31.700 0.033 0.000 1.022 257 T N 0.574 115.030 114.554 -0.163 0.000 2.933 257 T HA 0.050 4.400 4.350 -0.001 0.000 0.306 257 T C 1.932 176.490 174.700 -0.237 0.000 1.045 257 T CA 0.803 62.703 62.100 -0.334 0.000 1.143 257 T CB -0.051 68.323 68.868 -0.822 0.000 1.003 257 T HN 0.598 nan 8.240 nan 0.000 0.540 258 G N 2.367 111.058 108.800 -0.182 0.000 2.556 258 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.220 258 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.220 258 G C 1.265 176.159 174.900 -0.010 0.000 1.156 258 G CA 0.775 45.834 45.100 -0.068 0.000 0.766 258 G HN 0.673 nan 8.290 nan 0.000 0.583 259 N N -0.682 118.010 118.700 -0.013 0.000 2.321 259 N HA 0.147 4.887 4.740 -0.001 0.000 0.242 259 N C 1.639 177.352 175.510 0.338 0.000 1.141 259 N CA -0.230 52.928 53.050 0.180 0.000 0.864 259 N CB 0.141 38.796 38.487 0.280 0.000 1.100 259 N HN 0.170 nan 8.380 nan 0.000 0.510 260 R N -0.459 120.182 120.500 0.235 0.000 2.119 260 R HA 0.271 4.611 4.340 -0.001 0.000 0.222 260 R C -0.026 176.448 176.300 0.291 0.000 1.088 260 R CA 1.077 57.396 56.100 0.364 0.000 0.984 260 R CB 0.141 30.587 30.300 0.242 0.000 0.884 260 R HN 0.188 nan 8.270 nan 0.000 0.447 261 L N -0.837 120.512 121.223 0.210 0.000 2.301 261 L HA 0.407 4.746 4.340 -0.001 0.000 0.264 261 L C -0.245 176.731 176.870 0.175 0.000 1.016 261 L CA -1.151 53.802 54.840 0.189 0.000 0.821 261 L CB 1.862 44.012 42.059 0.152 0.000 1.346 261 L HN -0.111 nan 8.230 nan 0.000 0.429 262 S N 0.042 115.842 115.700 0.166 0.000 2.505 262 S HA 0.165 4.634 4.470 -0.001 0.000 0.276 262 S C 0.539 175.223 174.600 0.140 0.000 1.274 262 S CA -0.307 57.982 58.200 0.149 0.000 1.053 262 S CB 0.430 63.712 63.200 0.136 0.000 0.919 262 S HN 0.581 nan 8.310 nan 0.000 0.490 263 K N 2.648 123.117 120.400 0.115 0.000 2.417 263 K HA 0.107 4.427 4.320 -0.001 0.000 0.196 263 K C 0.434 177.084 176.600 0.082 0.000 1.023 263 K CA -0.093 56.246 56.287 0.087 0.000 1.122 263 K CB 0.342 32.883 32.500 0.068 0.000 0.850 263 K HN 0.509 nan 8.250 nan 0.000 0.521 264 S N 0.135 115.890 115.700 0.093 0.000 2.510 264 S HA 0.266 4.736 4.470 -0.001 0.000 0.279 264 S C 1.109 175.756 174.600 0.078 0.000 1.284 264 S CA 0.769 59.016 58.200 0.080 0.000 1.059 264 S CB 0.409 63.654 63.200 0.075 0.000 0.901 264 S HN 0.623 nan 8.310 nan 0.000 0.491 265 G N 3.370 112.210 108.800 0.067 0.000 2.175 265 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.244 265 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.244 265 G C -0.171 174.768 174.900 0.065 0.000 0.982 265 G CA 0.079 45.219 45.100 0.067 0.000 0.641 265 G HN 0.708 nan 8.290 nan 0.000 0.527 266 L N 0.787 122.035 121.223 0.041 0.000 2.416 266 L HA 0.570 4.910 4.340 -0.001 0.000 0.272 266 L C 0.766 177.661 176.870 0.043 0.000 1.161 266 L CA -0.138 54.678 54.840 -0.041 0.000 0.845 266 L CB 1.082 43.060 42.059 -0.135 0.000 1.119 266 L HN 0.231 nan 8.230 nan 0.000 0.464 267 K N 1.444 121.848 120.400 0.007 0.000 2.270 267 K HA 0.633 4.953 4.320 -0.001 0.000 0.276 267 K C -0.038 176.562 176.600 0.000 0.000 1.023 267 K CA 0.162 56.494 56.287 0.075 0.000 0.955 267 K CB 0.925 33.448 32.500 0.038 0.000 0.975 267 K HN 0.720 nan 8.250 nan 0.000 0.471 268 G N 1.099 109.887 108.800 -0.021 0.000 2.766 268 G HA2 0.294 4.254 3.960 -0.001 0.000 0.288 268 G HA3 0.294 4.254 3.960 -0.001 0.000 0.288 268 G C -0.131 174.547 174.900 -0.370 0.000 1.408 268 G CA -0.676 44.229 45.100 -0.325 0.000 0.852 268 G HN 0.704 nan 8.290 nan 0.000 0.487 269 C N -1.281 117.836 119.300 -0.305 0.000 2.520 269 C HA 0.431 4.890 4.460 -0.001 0.000 0.291 269 C C 0.849 175.726 174.990 -0.188 0.000 1.364 269 C CA 0.301 59.231 59.018 -0.146 0.000 1.781 269 C CB -0.047 27.731 27.740 0.063 0.000 2.171 269 C HN 0.339 nan 8.230 nan 0.000 0.516 270 V N 0.734 120.506 119.914 -0.237 0.000 2.459 270 V HA 0.457 4.576 4.120 -0.001 0.000 0.295 270 V C -1.343 174.576 176.094 -0.292 0.000 1.029 270 V CA -0.410 61.811 62.300 -0.132 0.000 0.874 270 V CB 1.025 32.842 31.823 -0.010 0.000 0.985 270 V HN 0.351 nan 8.190 nan 0.000 0.438 271 Y N 1.500 121.827 120.300 0.045 0.000 2.429 271 Y HA 0.685 5.235 4.550 -0.000 0.000 0.342 271 Y C 1.061 176.982 175.900 0.035 0.000 1.004 271 Y CA 0.151 58.272 58.100 0.035 0.000 1.075 271 Y CB 2.204 40.682 38.460 0.029 0.000 1.214 271 Y HN 0.816 nan 8.280 nan 0.000 0.455 272 G N 1.354 110.268 108.800 0.190 0.000 2.157 272 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.239 272 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.239 272 G C -0.113 174.841 174.900 0.089 0.000 0.982 272 G CA -0.335 44.842 45.100 0.127 0.000 0.650 272 G HN 0.501 nan 8.290 nan 0.000 0.527 273 Q N 1.308 121.147 119.800 0.065 0.000 2.322 273 Q HA 0.526 4.865 4.340 -0.001 0.000 0.256 273 Q C 1.119 177.141 176.000 0.037 0.000 0.960 273 Q CA 0.738 56.564 55.803 0.038 0.000 0.934 273 Q CB 0.864 29.604 28.738 0.003 0.000 1.200 273 Q HN 0.572 nan 8.270 nan 0.000 0.435 274 T N -0.135 114.447 114.554 0.046 0.000 3.043 274 T HA 0.321 4.671 4.350 -0.001 0.000 0.272 274 T C 1.278 176.001 174.700 0.038 0.000 0.990 274 T CA 0.359 62.487 62.100 0.047 0.000 0.897 274 T CB 0.489 69.394 68.868 0.062 0.000 1.111 274 T HN 0.383 nan 8.240 nan 0.000 0.529 275 A N 1.631 124.470 122.820 0.032 0.000 1.873 275 A HA 0.370 4.689 4.320 -0.001 0.000 0.215 275 A C 1.055 178.639 177.584 -0.001 0.000 1.186 275 A CA 0.895 52.946 52.037 0.023 0.000 0.616 275 A CB -0.441 18.571 19.000 0.020 0.000 0.823 275 A HN 0.442 nan 8.150 nan 0.000 0.442 276 V N 1.325 121.230 119.914 -0.016 0.000 2.334 276 V HA 0.259 4.378 4.120 -0.001 0.000 0.281 276 V C -0.415 175.665 176.094 -0.022 0.000 1.016 276 V CA -0.547 61.734 62.300 -0.032 0.000 0.832 276 V CB 0.959 32.750 31.823 -0.054 0.000 0.999 276 V HN 0.534 nan 8.190 nan 0.000 0.439 277 Q N 2.463 122.253 119.800 -0.016 0.000 2.260 277 Q HA 0.486 4.825 4.340 -0.001 0.000 0.242 277 Q C -0.571 175.419 176.000 -0.016 0.000 0.932 277 Q CA -0.784 55.015 55.803 -0.007 0.000 0.891 277 Q CB 1.910 30.648 28.738 -0.000 0.000 1.222 277 Q HN 0.585 nan 8.270 nan 0.000 0.453 278 L N 1.033 122.251 121.223 -0.008 0.000 2.349 278 L HA 0.355 4.695 4.340 -0.001 0.000 0.275 278 L C -0.595 176.274 176.870 -0.002 0.000 1.115 278 L CA 0.668 55.501 54.840 -0.013 0.000 0.820 278 L CB 1.478 43.527 42.059 -0.016 0.000 1.135 278 L HN 0.513 nan 8.230 nan 0.000 0.445 279 S N 4.277 119.977 115.700 -0.001 0.000 2.542 279 S HA 0.834 5.304 4.470 -0.001 0.000 0.293 279 S C -0.951 173.676 174.600 0.044 0.000 1.089 279 S CA -0.760 57.451 58.200 0.018 0.000 0.961 279 S CB 1.081 64.283 63.200 0.003 0.000 1.062 279 S HN 0.703 nan 8.310 nan 0.000 0.483 280 L N 1.746 123.021 121.223 0.086 0.000 2.341 280 L HA 1.134 5.474 4.340 -0.001 0.000 0.267 280 L C -0.015 176.936 176.870 0.136 0.000 1.009 280 L CA -0.312 54.624 54.840 0.160 0.000 0.819 280 L CB 1.678 43.900 42.059 0.272 0.000 1.323 280 L HN 0.781 nan 8.230 nan 0.000 0.425 281 G N 0.605 109.486 108.800 0.134 0.000 2.495 281 G HA2 0.595 4.555 3.960 -0.001 0.000 0.294 281 G HA3 0.595 4.555 3.960 -0.001 0.000 0.294 281 G C -3.406 171.513 174.900 0.031 0.000 1.397 281 G CA -0.819 44.321 45.100 0.067 0.000 0.790 281 G HN 0.580 nan 8.290 nan 0.000 0.486 282 P HA 0.584 nan 4.420 nan 0.000 0.284 282 P C -0.927 176.363 177.300 -0.016 0.000 1.258 282 P CA -0.383 62.700 63.100 -0.029 0.000 0.824 282 P CB 1.722 33.393 31.700 -0.047 0.000 1.038 283 M N 1.347 120.933 119.600 -0.022 0.000 2.457 283 M HA 0.748 5.227 4.480 -0.001 0.000 0.300 283 M C -0.602 175.690 176.300 -0.012 0.000 1.141 283 M CA -0.397 54.899 55.300 -0.007 0.000 0.901 283 M CB 2.777 35.380 32.600 0.005 0.000 1.687 283 M HN 0.509 nan 8.290 nan 0.000 0.449 284 A N 1.382 124.204 122.820 0.003 0.000 2.515 284 A HA 0.555 4.874 4.320 -0.001 0.000 0.292 284 A C -0.455 177.146 177.584 0.029 0.000 1.065 284 A CA -0.803 51.238 52.037 0.005 0.000 0.641 284 A CB 1.222 20.214 19.000 -0.013 0.000 1.306 284 A HN 0.916 nan 8.150 nan 0.000 0.441 285 R N -0.207 120.315 120.500 0.038 0.000 2.236 285 R HA 0.090 4.430 4.340 -0.001 0.000 0.208 285 R C -0.538 175.791 176.300 0.049 0.000 1.036 285 R CA 1.484 57.618 56.100 0.057 0.000 1.001 285 R CB -0.114 30.227 30.300 0.067 0.000 0.896 285 R HN 0.829 nan 8.270 nan 0.000 0.464 286 D N -2.981 117.440 120.400 0.036 0.000 2.596 286 D HA 0.106 4.745 4.640 -0.001 0.000 0.262 286 D C 0.590 176.909 176.300 0.031 0.000 1.210 286 D CA -0.791 53.230 54.000 0.036 0.000 0.873 286 D CB 0.938 41.763 40.800 0.042 0.000 1.408 286 D HN -0.340 nan 8.370 nan 0.000 0.441 287 V N -0.145 119.797 119.914 0.046 0.000 2.323 287 V HA -0.151 3.969 4.120 -0.001 0.000 0.244 287 V C 2.266 178.402 176.094 0.071 0.000 1.041 287 V CA 2.079 64.417 62.300 0.064 0.000 1.025 287 V CB -0.792 31.091 31.823 0.099 0.000 0.656 287 V HN 0.749 nan 8.190 nan 0.000 0.451 288 E N 0.763 121.027 120.200 0.108 0.000 2.147 288 E HA -0.216 4.134 4.350 -0.001 0.000 0.199 288 E C 2.267 178.859 176.600 -0.013 0.000 1.005 288 E CA 1.914 58.373 56.400 0.099 0.000 0.810 288 E CB -0.357 29.410 29.700 0.112 0.000 0.736 288 E HN 0.587 nan 8.360 nan 0.000 0.460 289 S N -0.216 115.476 115.700 -0.014 0.000 2.368 289 S HA -0.091 4.378 4.470 -0.001 0.000 0.224 289 S C 1.888 176.435 174.600 -0.088 0.000 1.029 289 S CA 1.113 59.284 58.200 -0.048 0.000 0.988 289 S CB -0.274 62.909 63.200 -0.028 0.000 0.838 289 S HN 0.278 nan 8.310 nan 0.000 0.462 290 L N 1.219 122.398 121.223 -0.073 0.000 2.046 290 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 290 L C 2.848 179.610 176.870 -0.181 0.000 1.077 290 L CA 1.338 56.123 54.840 -0.091 0.000 0.747 290 L CB -0.877 41.156 42.059 -0.043 0.000 0.896 290 L HN 0.328 nan 8.230 nan 0.000 0.432 291 A N 0.090 122.746 122.820 -0.274 0.000 1.933 291 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 291 A C 2.228 179.414 177.584 -0.663 0.000 1.175 291 A CA 1.501 53.195 52.037 -0.572 0.000 0.628 291 A CB -0.618 17.790 19.000 -0.987 0.000 0.814 291 A HN 0.317 nan 8.150 nan 0.000 0.444 292 L N -0.319 120.672 121.223 -0.388 0.000 2.017 292 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 292 L C 2.581 179.275 176.870 -0.293 0.000 1.073 292 L CA 2.281 56.936 54.840 -0.308 0.000 0.745 292 L CB -1.091 40.869 42.059 -0.164 0.000 0.894 292 L HN 0.510 nan 8.230 nan 0.000 0.432 293 C N -0.926 118.237 119.300 -0.228 0.000 2.413 293 C HA -0.174 4.285 4.460 -0.001 0.000 0.276 293 C C 2.769 177.648 174.990 -0.186 0.000 1.236 293 C CA 1.125 60.038 59.018 -0.174 0.000 1.735 293 C CB -1.108 26.554 27.740 -0.129 0.000 2.031 293 C HN 0.623 nan 8.230 nan 0.000 0.474 294 L N 1.172 122.260 121.223 -0.225 0.000 2.083 294 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 294 L C 2.568 179.302 176.870 -0.227 0.000 1.083 294 L CA 2.055 56.805 54.840 -0.151 0.000 0.752 294 L CB -0.796 41.241 42.059 -0.037 0.000 0.899 294 L HN 0.395 nan 8.230 nan 0.000 0.433 295 K N -0.986 119.069 120.400 -0.576 0.000 2.057 295 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 295 K C 1.993 178.482 176.600 -0.185 0.000 1.049 295 K CA 1.304 57.310 56.287 -0.468 0.000 0.931 295 K CB -0.117 31.987 32.500 -0.660 0.000 0.714 295 K HN 0.345 nan 8.250 nan 0.000 0.440 296 A N 0.795 123.507 122.820 -0.180 0.000 1.968 296 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 296 A C 2.020 179.550 177.584 -0.089 0.000 1.169 296 A CA 0.971 52.944 52.037 -0.106 0.000 0.638 296 A CB -0.361 18.580 19.000 -0.098 0.000 0.812 296 A HN 0.286 nan 8.150 nan 0.000 0.446 297 L N -0.775 120.391 121.223 -0.095 0.000 2.095 297 L HA 0.042 4.382 4.340 -0.001 0.000 0.204 297 L C 0.652 177.440 176.870 -0.137 0.000 1.080 297 L CA 0.395 55.184 54.840 -0.084 0.000 0.759 297 L CB -0.316 41.715 42.059 -0.047 0.000 0.914 297 L HN 0.250 nan 8.230 nan 0.000 0.439 298 L N 1.591 122.763 121.223 -0.085 0.000 2.416 298 L HA 0.065 4.405 4.340 -0.001 0.000 0.243 298 L C 0.096 176.796 176.870 -0.285 0.000 1.373 298 L CA -0.620 54.156 54.840 -0.107 0.000 1.227 298 L CB -0.843 41.353 42.059 0.227 0.000 1.428 298 L HN 0.408 nan 8.230 nan 0.000 0.425 299 C N -2.909 116.036 119.300 -0.591 0.000 2.973 299 C HA 0.463 4.922 4.460 -0.001 0.000 0.329 299 C C 1.731 176.323 174.990 -0.663 0.000 1.327 299 C CA -0.846 57.913 59.018 -0.431 0.000 1.632 299 C CB 2.011 29.634 27.740 -0.194 0.000 2.098 299 C HN 0.482 nan 8.230 nan 0.000 0.469 300 E N 0.283 120.311 120.200 -0.286 0.000 2.085 300 E HA -0.187 4.163 4.350 -0.001 0.000 0.194 300 E C 1.963 178.473 176.600 -0.150 0.000 0.994 300 E CA 1.832 58.151 56.400 -0.135 0.000 0.801 300 E CB -0.488 29.140 29.700 -0.120 0.000 0.743 300 E HN 0.743 nan 8.360 nan 0.000 0.453 301 H N 0.302 119.301 119.070 -0.118 0.000 2.321 301 H HA -0.177 4.378 4.556 -0.002 0.000 0.295 301 H C 2.371 177.639 175.328 -0.100 0.000 1.102 301 H CA 1.459 57.455 56.048 -0.085 0.000 1.266 301 H CB -0.639 29.072 29.762 -0.085 0.000 1.363 301 H HN 0.133 nan 8.280 nan 0.000 0.492 302 L N 0.236 121.402 121.223 -0.094 0.000 2.017 302 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 302 L C 2.167 179.058 176.870 0.035 0.000 1.073 302 L CA 1.376 56.151 54.840 -0.109 0.000 0.745 302 L CB -0.515 41.376 42.059 -0.281 0.000 0.894 302 L HN -0.040 nan 8.230 nan 0.000 0.432 303 F N -0.247 119.736 119.950 0.056 0.000 2.234 303 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 303 F C 2.712 178.531 175.800 0.031 0.000 1.087 303 F CA 1.373 59.395 58.000 0.037 0.000 1.340 303 F CB -1.951 37.060 39.000 0.019 0.000 1.031 303 F HN 0.321 nan 8.300 nan 0.000 0.500 304 T N -2.078 112.593 114.554 0.195 0.000 2.937 304 T HA -0.039 4.311 4.350 -0.001 0.000 0.260 304 T C 2.080 176.840 174.700 0.099 0.000 1.051 304 T CA 0.746 62.919 62.100 0.122 0.000 1.141 304 T CB -0.818 68.103 68.868 0.089 0.000 0.879 304 T HN 0.263 nan 8.240 nan 0.000 0.459 305 L N 0.850 122.130 121.223 0.095 0.000 2.201 305 L HA 0.146 4.486 4.340 -0.001 0.000 0.212 305 L C 0.835 177.753 176.870 0.080 0.000 1.105 305 L CA 0.981 55.865 54.840 0.074 0.000 0.775 305 L CB -0.122 41.972 42.059 0.058 0.000 0.913 305 L HN 0.293 nan 8.230 nan 0.000 0.440 306 D N -1.310 119.155 120.400 0.108 0.000 2.363 306 D HA 0.195 4.834 4.640 -0.001 0.000 0.258 306 D C -2.041 174.338 176.300 0.131 0.000 1.259 306 D CA -1.844 52.222 54.000 0.111 0.000 0.921 306 D CB 1.320 42.190 40.800 0.117 0.000 1.201 306 D HN -0.188 nan 8.370 nan 0.000 0.524 307 P HA -0.052 nan 4.420 nan 0.000 0.230 307 P C 1.298 178.635 177.300 0.061 0.000 1.158 307 P CA 0.902 64.051 63.100 0.082 0.000 0.769 307 P CB 0.122 31.854 31.700 0.054 0.000 0.807 308 T N -4.262 110.335 114.554 0.072 0.000 3.055 308 T HA 0.022 4.372 4.350 -0.001 0.000 0.265 308 T C 0.747 175.496 174.700 0.081 0.000 1.111 308 T CA 0.203 62.342 62.100 0.065 0.000 1.118 308 T CB -0.860 68.050 68.868 0.070 0.000 0.909 308 T HN -0.182 nan 8.240 nan 0.000 0.501 309 V N 4.692 124.675 119.914 0.115 0.000 2.488 309 V HA 0.299 4.419 4.120 -0.001 0.000 0.277 309 V C -2.062 174.053 176.094 0.035 0.000 1.046 309 V CA -2.168 60.220 62.300 0.146 0.000 0.986 309 V CB 0.762 32.736 31.823 0.252 0.000 0.989 309 V HN 0.333 nan 8.190 nan 0.000 0.475 310 P HA 0.114 nan 4.420 nan 0.000 0.264 310 P C -2.437 174.583 177.300 -0.466 0.000 1.193 310 P CA -1.370 61.580 63.100 -0.249 0.000 0.763 310 P CB -0.070 31.407 31.700 -0.371 0.000 0.810 311 P HA 0.150 nan 4.420 nan 0.000 0.230 311 P C -0.541 176.173 177.300 -0.977 0.000 1.791 311 P CA 0.206 62.350 63.100 -1.594 0.000 1.020 311 P CB -0.116 31.014 31.700 -0.950 0.000 1.977 312 L N 4.267 125.122 121.223 -0.613 0.000 2.287 312 L HA 0.370 4.709 4.340 -0.001 0.000 0.280 312 L C -2.003 174.969 176.870 0.171 0.000 1.055 312 L CA -2.304 52.444 54.840 -0.154 0.000 0.863 312 L CB 1.089 43.101 42.059 -0.078 0.000 1.245 312 L HN 0.028 nan 8.230 nan 0.000 0.432 313 P HA -0.028 nan 4.420 nan 0.000 0.272 313 P C -0.439 177.009 177.300 0.247 0.000 1.230 313 P CA -0.374 62.921 63.100 0.325 0.000 0.788 313 P CB 0.446 32.286 31.700 0.234 0.000 0.949 314 F N 2.063 122.085 119.950 0.120 0.000 2.578 314 F HA 0.046 4.573 4.527 -0.001 0.000 0.381 314 F C 0.998 176.841 175.800 0.072 0.000 1.069 314 F CA 0.239 58.286 58.000 0.077 0.000 1.231 314 F CB 0.256 39.277 39.000 0.035 0.000 1.086 314 F HN 0.131 nan 8.300 nan 0.000 0.564 315 R N 5.145 125.372 120.500 -0.456 0.000 2.565 315 R HA 0.049 4.389 4.340 -0.001 0.000 0.286 315 R C 1.072 177.217 176.300 -0.259 0.000 1.256 315 R CA -0.233 55.717 56.100 -0.250 0.000 1.238 315 R CB 0.535 30.721 30.300 -0.189 0.000 1.153 315 R HN 0.708 nan 8.270 nan 0.000 0.553 316 E N 2.398 122.626 120.200 0.047 0.000 2.097 316 E HA -0.260 4.090 4.350 -0.001 0.000 0.196 316 E C 1.654 178.354 176.600 0.167 0.000 1.000 316 E CA 1.821 58.375 56.400 0.257 0.000 0.804 316 E CB 0.289 30.161 29.700 0.287 0.000 0.740 316 E HN 0.543 nan 8.360 nan 0.000 0.454 317 E N 0.110 120.354 120.200 0.074 0.000 2.268 317 E HA -0.107 4.243 4.350 -0.001 0.000 0.195 317 E C 2.001 178.614 176.600 0.021 0.000 0.995 317 E CA 0.991 57.418 56.400 0.046 0.000 0.836 317 E CB -0.366 29.351 29.700 0.028 0.000 0.763 317 E HN 0.279 nan 8.360 nan 0.000 0.491 318 V N 0.609 120.523 119.914 0.000 0.000 2.407 318 V HA -0.197 3.922 4.120 -0.001 0.000 0.245 318 V C 2.287 178.404 176.094 0.039 0.000 1.041 318 V CA 1.517 63.813 62.300 -0.006 0.000 1.040 318 V CB -0.923 30.873 31.823 -0.046 0.000 0.671 318 V HN 0.212 nan 8.190 nan 0.000 0.455 319 Y N 1.984 122.246 120.300 -0.064 0.000 2.165 319 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 319 Y C 2.509 178.454 175.900 0.075 0.000 1.155 319 Y CA 1.675 59.795 58.100 0.034 0.000 1.164 319 Y CB -0.138 38.415 38.460 0.154 0.000 0.978 319 Y HN 0.115 nan 8.280 nan 0.000 0.513 320 R N 0.086 120.512 120.500 -0.123 0.000 2.297 320 R HA 0.073 4.412 4.340 -0.001 0.000 0.197 320 R C 1.136 177.371 176.300 -0.109 0.000 0.943 320 R CA 0.586 56.571 56.100 -0.192 0.000 1.038 320 R CB -0.334 29.943 30.300 -0.038 0.000 0.957 320 R HN 0.205 nan 8.270 nan 0.000 0.484 321 S N 1.599 117.263 115.700 -0.060 0.000 2.558 321 S HA -0.035 4.434 4.470 -0.001 0.000 0.291 321 S C 0.964 175.551 174.600 -0.022 0.000 1.306 321 S CA -0.029 58.154 58.200 -0.027 0.000 1.056 321 S CB 0.581 63.776 63.200 -0.009 0.000 0.836 321 S HN 0.381 nan 8.310 nan 0.000 0.504 322 S N 3.950 119.649 115.700 -0.001 0.000 2.651 322 S HA 0.361 4.831 4.470 -0.001 0.000 0.246 322 S C 0.133 174.760 174.600 0.045 0.000 1.039 322 S CA -0.745 57.469 58.200 0.023 0.000 1.013 322 S CB 0.019 63.225 63.200 0.010 0.000 0.861 322 S HN 0.723 nan 8.310 nan 0.000 0.485 323 R N 2.410 122.934 120.500 0.041 0.000 2.543 323 R HA 0.350 4.690 4.340 -0.001 0.000 0.277 323 R C -2.603 173.756 176.300 0.099 0.000 1.074 323 R CA -1.504 54.622 56.100 0.044 0.000 1.076 323 R CB -0.173 30.142 30.300 0.024 0.000 0.993 323 R HN 0.211 nan 8.270 nan 0.000 0.459 324 P HA -0.050 nan 4.420 nan 0.000 0.265 324 P C -0.774 176.633 177.300 0.179 0.000 1.187 324 P CA 0.459 63.659 63.100 0.166 0.000 0.766 324 P CB 0.494 32.213 31.700 0.032 0.000 0.820 325 L N 3.295 124.694 121.223 0.292 0.000 2.334 325 L HA 0.458 4.797 4.340 -0.001 0.000 0.273 325 L C 0.885 177.734 176.870 -0.034 0.000 1.013 325 L CA -0.827 54.006 54.840 -0.011 0.000 0.816 325 L CB 1.521 43.411 42.059 -0.281 0.000 1.278 325 L HN 0.195 nan 8.230 nan 0.000 0.431 326 R N 2.005 122.439 120.500 -0.110 0.000 2.220 326 R HA 0.346 4.686 4.340 -0.001 0.000 0.340 326 R C -1.088 175.057 176.300 -0.259 0.000 1.076 326 R CA -0.408 55.609 56.100 -0.138 0.000 0.920 326 R CB 0.867 31.088 30.300 -0.131 0.000 1.062 326 R HN 0.279 nan 8.270 nan 0.000 0.469 327 V N 3.412 123.196 119.914 -0.217 0.000 2.294 327 V HA 0.266 4.386 4.120 -0.001 0.000 0.272 327 V C 0.954 176.966 176.094 -0.136 0.000 1.027 327 V CA -0.819 61.312 62.300 -0.283 0.000 0.823 327 V CB 1.235 32.926 31.823 -0.220 0.000 1.030 327 V HN 0.901 nan 8.190 nan 0.000 0.457 328 G N 4.224 112.851 108.800 -0.289 0.000 2.544 328 G HA2 0.416 4.375 3.960 -0.001 0.000 0.242 328 G HA3 0.416 4.375 3.960 -0.001 0.000 0.242 328 G C -0.851 174.120 174.900 0.117 0.000 1.247 328 G CA 0.079 45.080 45.100 -0.165 0.000 0.840 328 G HN 1.002 nan 8.290 nan 0.000 0.578 329 Y N -0.336 120.041 120.300 0.128 0.000 2.592 329 Y HA 0.635 5.185 4.550 -0.001 0.000 0.334 329 Y C -1.488 174.593 175.900 0.301 0.000 1.136 329 Y CA -2.138 56.045 58.100 0.139 0.000 1.042 329 Y CB 1.052 39.550 38.460 0.063 0.000 1.325 329 Y HN 0.862 nan 8.280 nan 0.000 0.457 330 Y N -0.359 120.072 120.300 0.218 0.000 2.553 330 Y HA 0.674 5.223 4.550 -0.001 0.000 0.347 330 Y C -0.086 175.990 175.900 0.292 0.000 1.019 330 Y CA -1.432 56.764 58.100 0.160 0.000 1.032 330 Y CB 1.935 40.472 38.460 0.129 0.000 1.284 330 Y HN 0.726 nan 8.280 nan 0.000 0.466 331 E N 0.344 120.785 120.200 0.402 0.000 2.400 331 E HA 0.113 4.463 4.350 -0.001 0.000 0.195 331 E C -0.114 176.699 176.600 0.354 0.000 1.012 331 E CA 0.802 57.382 56.400 0.301 0.000 0.875 331 E CB 0.748 30.604 29.700 0.259 0.000 0.859 331 E HN 0.634 nan 8.360 nan 0.000 0.498 332 T N 0.364 115.224 114.554 0.509 0.000 2.942 332 T HA 0.071 4.420 4.350 -0.001 0.000 0.327 332 T C -1.180 173.864 174.700 0.574 0.000 1.360 332 T CA -0.738 61.716 62.100 0.590 0.000 1.055 332 T CB 1.543 70.683 68.868 0.453 0.000 1.261 332 T HN 0.003 nan 8.240 nan 0.000 0.485 333 D N 2.158 122.848 120.400 0.484 0.000 2.339 333 D HA 0.109 4.749 4.640 -0.001 0.000 0.217 333 D C 0.575 176.867 176.300 -0.013 0.000 1.050 333 D CA -0.063 53.979 54.000 0.070 0.000 0.856 333 D CB -0.774 39.921 40.800 -0.175 0.000 0.922 333 D HN 0.831 nan 8.370 nan 0.000 0.518 334 N N -1.594 117.105 118.700 -0.001 0.000 2.741 334 N HA -0.302 4.437 4.740 -0.001 0.000 0.250 334 N C -0.526 174.802 175.510 -0.303 0.000 1.115 334 N CA 0.794 53.587 53.050 -0.428 0.000 0.724 334 N CB -1.217 37.041 38.487 -0.381 0.000 1.090 334 N HN 0.380 nan 8.380 nan 0.000 0.558 335 Y N -0.826 119.497 120.300 0.039 0.000 3.012 335 Y HA 0.212 4.762 4.550 -0.001 0.000 0.236 335 Y C 0.300 176.524 175.900 0.540 0.000 1.017 335 Y CA 0.599 58.879 58.100 0.300 0.000 1.364 335 Y CB 1.011 39.540 38.460 0.115 0.000 1.491 335 Y HN -0.073 nan 8.280 nan 0.000 0.435 336 T N 3.049 117.937 114.554 0.557 0.000 2.770 336 T HA 0.286 4.635 4.350 -0.001 0.000 0.297 336 T C -0.560 174.486 174.700 0.577 0.000 0.997 336 T CA -0.473 61.946 62.100 0.532 0.000 0.949 336 T CB 0.760 69.938 68.868 0.516 0.000 0.941 336 T HN 0.209 nan 8.240 nan 0.000 0.457 337 M N 7.257 126.997 119.600 0.233 0.000 2.260 337 M HA 0.188 4.667 4.480 -0.001 0.000 0.348 337 M C -2.229 174.244 176.300 0.289 0.000 1.342 337 M CA -1.245 53.992 55.300 -0.105 0.000 1.040 337 M CB 0.227 32.301 32.600 -0.876 0.000 1.810 337 M HN 0.191 nan 8.290 nan 0.000 0.453 338 P HA 0.159 nan 4.420 nan 0.000 0.275 338 P C -1.076 176.415 177.300 0.319 0.000 1.228 338 P CA -0.357 62.904 63.100 0.269 0.000 0.786 338 P CB 0.386 32.188 31.700 0.169 0.000 0.927 339 S N 2.339 118.193 115.700 0.257 0.000 2.584 339 S HA 0.128 4.597 4.470 -0.001 0.000 0.270 339 S C -1.629 173.046 174.600 0.126 0.000 1.346 339 S CA -0.759 57.558 58.200 0.195 0.000 1.018 339 S CB -0.529 62.693 63.200 0.038 0.000 0.899 339 S HN 0.281 nan 8.310 nan 0.000 0.542 340 P HA -0.138 nan 4.420 nan 0.000 0.216 340 P C 1.561 178.879 177.300 0.030 0.000 1.150 340 P CA 2.031 65.169 63.100 0.062 0.000 0.843 340 P CB -0.243 31.487 31.700 0.051 0.000 0.787 341 A N -1.302 121.523 122.820 0.010 0.000 1.898 341 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 341 A C 2.200 179.772 177.584 -0.020 0.000 1.181 341 A CA 1.851 53.878 52.037 -0.017 0.000 0.620 341 A CB -1.394 17.581 19.000 -0.041 0.000 0.819 341 A HN 0.093 nan 8.150 nan 0.000 0.442 342 M N -1.313 118.279 119.600 -0.014 0.000 2.065 342 M HA -0.199 4.280 4.480 -0.001 0.000 0.259 342 M C 2.452 178.740 176.300 -0.019 0.000 1.069 342 M CA 2.111 57.391 55.300 -0.033 0.000 1.110 342 M CB -0.345 32.227 32.600 -0.046 0.000 1.328 342 M HN 0.435 nan 8.290 nan 0.000 0.405 343 R N 0.025 120.536 120.500 0.018 0.000 2.091 343 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 343 R C 2.329 178.641 176.300 0.021 0.000 1.136 343 R CA 1.786 57.909 56.100 0.038 0.000 0.959 343 R CB -0.212 30.127 30.300 0.064 0.000 0.856 343 R HN 0.285 nan 8.270 nan 0.000 0.437 344 R N -0.115 120.391 120.500 0.010 0.000 2.081 344 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 344 R C 2.132 178.423 176.300 -0.016 0.000 1.131 344 R CA 1.503 57.602 56.100 -0.001 0.000 0.960 344 R CB -0.284 30.014 30.300 -0.004 0.000 0.856 344 R HN 0.285 nan 8.270 nan 0.000 0.436 345 A N 1.639 124.444 122.820 -0.026 0.000 1.883 345 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 345 A C 2.112 179.670 177.584 -0.043 0.000 1.186 345 A CA 1.348 53.361 52.037 -0.040 0.000 0.624 345 A CB -0.753 18.216 19.000 -0.052 0.000 0.822 345 A HN 0.411 nan 8.150 nan 0.000 0.444 346 L N -0.012 121.190 121.223 -0.036 0.000 2.005 346 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 346 L C 2.361 179.207 176.870 -0.040 0.000 1.072 346 L CA 2.064 56.885 54.840 -0.033 0.000 0.744 346 L CB -0.954 41.102 42.059 -0.004 0.000 0.895 346 L HN 0.473 nan 8.230 nan 0.000 0.433 347 I N 0.150 120.706 120.570 -0.022 0.000 2.179 347 I HA -0.325 3.845 4.170 -0.001 0.000 0.242 347 I C 2.530 178.612 176.117 -0.059 0.000 1.088 347 I CA 1.364 62.639 61.300 -0.041 0.000 1.357 347 I CB -0.258 37.740 38.000 -0.003 0.000 1.051 347 I HN 0.359 nan 8.210 nan 0.000 0.409 348 E N 0.308 120.484 120.200 -0.040 0.000 2.058 348 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 348 E C 2.145 178.718 176.600 -0.046 0.000 0.997 348 E CA 1.957 58.334 56.400 -0.038 0.000 0.801 348 E CB -0.170 29.512 29.700 -0.029 0.000 0.746 348 E HN 0.484 nan 8.360 nan 0.000 0.450 349 T N 1.400 115.922 114.554 -0.053 0.000 2.746 349 T HA -0.183 4.167 4.350 -0.001 0.000 0.267 349 T C 1.791 176.457 174.700 -0.056 0.000 1.039 349 T CA 1.275 63.343 62.100 -0.054 0.000 1.142 349 T CB -0.116 68.712 68.868 -0.067 0.000 0.866 349 T HN 0.135 nan 8.240 nan 0.000 0.444 350 K N 1.136 121.473 120.400 -0.104 0.000 2.009 350 K HA -0.213 4.106 4.320 -0.001 0.000 0.210 350 K C 2.317 178.846 176.600 -0.119 0.000 1.049 350 K CA 1.656 57.836 56.287 -0.179 0.000 0.929 350 K CB -0.205 32.059 32.500 -0.394 0.000 0.714 350 K HN 0.403 nan 8.250 nan 0.000 0.440 351 Q N -0.262 119.481 119.800 -0.096 0.000 2.124 351 Q HA -0.114 4.226 4.340 -0.001 0.000 0.202 351 Q C 2.221 178.204 176.000 -0.028 0.000 0.977 351 Q CA 1.212 56.980 55.803 -0.059 0.000 0.850 351 Q CB -0.005 28.706 28.738 -0.045 0.000 0.901 351 Q HN 0.259 nan 8.270 nan 0.000 0.429 352 R N 0.318 120.807 120.500 -0.018 0.000 2.090 352 R HA -0.032 4.308 4.340 -0.001 0.000 0.228 352 R C 2.246 178.569 176.300 0.039 0.000 1.110 352 R CA 0.772 56.875 56.100 0.004 0.000 0.973 352 R CB -0.440 29.861 30.300 0.001 0.000 0.869 352 R HN 0.308 nan 8.270 nan 0.000 0.440 353 L N 0.917 122.179 121.223 0.065 0.000 2.027 353 L HA -0.152 4.187 4.340 -0.001 0.000 0.206 353 L C 2.382 179.334 176.870 0.136 0.000 1.074 353 L CA 1.400 56.352 54.840 0.186 0.000 0.745 353 L CB -0.393 41.777 42.059 0.185 0.000 0.898 353 L HN 0.195 nan 8.230 nan 0.000 0.433 354 E N 0.044 120.272 120.200 0.047 0.000 2.070 354 E HA -0.282 4.067 4.350 -0.001 0.000 0.197 354 E C 2.231 178.821 176.600 -0.016 0.000 1.004 354 E CA 1.370 57.776 56.400 0.010 0.000 0.805 354 E CB -0.216 29.476 29.700 -0.014 0.000 0.744 354 E HN 0.529 nan 8.360 nan 0.000 0.451 355 A N 1.131 123.943 122.820 -0.014 0.000 1.969 355 A HA -0.008 4.312 4.320 -0.001 0.000 0.218 355 A C 2.281 179.838 177.584 -0.044 0.000 1.169 355 A CA 1.394 53.416 52.037 -0.024 0.000 0.635 355 A CB -0.327 18.664 19.000 -0.015 0.000 0.810 355 A HN 0.276 nan 8.150 nan 0.000 0.445 356 A N -1.996 120.794 122.820 -0.049 0.000 2.167 356 A HA 0.393 4.712 4.320 -0.001 0.000 0.214 356 A C 1.734 179.160 177.584 -0.265 0.000 1.151 356 A CA 1.423 53.396 52.037 -0.106 0.000 0.735 356 A CB -0.625 18.354 19.000 -0.034 0.000 0.802 356 A HN 1.781 nan 8.150 nan 0.000 0.467 357 G N -2.013 106.638 108.800 -0.249 0.000 2.192 357 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.193 357 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.193 357 G C -0.009 174.728 174.900 -0.273 0.000 0.999 357 G CA 0.013 44.964 45.100 -0.249 0.000 0.659 357 G HN 0.609 nan 8.290 nan 0.000 0.503 358 H N 0.793 119.860 119.070 -0.006 0.000 2.551 358 H HA 0.503 5.058 4.556 -0.001 0.000 0.358 358 H C -0.009 175.307 175.328 -0.019 0.000 1.151 358 H CA 0.630 56.669 56.048 -0.015 0.000 1.374 358 H CB 0.991 30.750 29.762 -0.005 0.000 1.473 358 H HN 0.074 nan 8.280 nan 0.000 0.574 359 T N 4.178 118.790 114.554 0.097 0.000 2.744 359 T HA 0.206 4.556 4.350 -0.001 0.000 0.291 359 T C 0.433 175.164 174.700 0.052 0.000 0.957 359 T CA -0.705 61.425 62.100 0.049 0.000 1.002 359 T CB 0.284 69.165 68.868 0.022 0.000 0.919 359 T HN 0.119 nan 8.240 nan 0.000 0.468 360 L N 5.015 126.284 121.223 0.076 0.000 2.272 360 L HA 0.544 4.884 4.340 -0.001 0.000 0.289 360 L C -0.206 176.829 176.870 0.275 0.000 1.032 360 L CA -0.312 54.613 54.840 0.141 0.000 0.810 360 L CB 0.978 43.040 42.059 0.005 0.000 1.205 360 L HN 0.660 nan 8.230 nan 0.000 0.422 361 I N 5.803 126.552 120.570 0.299 0.000 2.439 361 I HA 0.292 4.462 4.170 -0.001 0.000 0.285 361 I C -2.178 173.945 176.117 0.010 0.000 1.021 361 I CA -1.877 59.512 61.300 0.149 0.000 1.091 361 I CB 2.262 40.279 38.000 0.030 0.000 1.242 361 I HN 0.329 nan 8.210 nan 0.000 0.439 362 P HA 0.051 nan 4.420 nan 0.000 0.261 362 P C -1.047 176.195 177.300 -0.097 0.000 1.183 362 P CA 0.415 63.242 63.100 -0.455 0.000 0.761 362 P CB 0.119 31.664 31.700 -0.260 0.000 0.785 363 F N 4.882 124.686 119.950 -0.243 0.000 2.622 363 F HA 0.547 5.074 4.527 -0.001 0.000 0.318 363 F C -2.102 173.692 175.800 -0.009 0.000 1.135 363 F CA -0.990 56.952 58.000 -0.097 0.000 1.015 363 F CB 1.333 40.277 39.000 -0.093 0.000 1.275 363 F HN 0.085 nan 8.300 nan 0.000 0.457 364 L N 8.300 129.163 121.223 -0.601 0.000 2.439 364 L HA 0.712 5.052 4.340 -0.001 0.000 0.270 364 L C -2.669 173.808 176.870 -0.655 0.000 0.972 364 L CA -1.954 52.551 54.840 -0.557 0.000 0.836 364 L CB 1.902 43.690 42.059 -0.453 0.000 1.255 364 L HN 0.340 nan 8.230 nan 0.000 0.404 365 P HA 0.125 nan 4.420 nan 0.000 0.265 365 P C -1.190 176.006 177.300 -0.173 0.000 1.193 365 P CA 0.063 63.051 63.100 -0.186 0.000 0.765 365 P CB 0.199 31.918 31.700 0.030 0.000 0.823 366 N N 1.824 120.459 118.700 -0.108 0.000 2.453 366 N HA 0.011 4.751 4.740 -0.001 0.000 0.253 366 N C 0.034 175.614 175.510 0.117 0.000 1.252 366 N CA -0.375 52.654 53.050 -0.034 0.000 0.917 366 N CB -0.204 38.271 38.487 -0.019 0.000 1.117 366 N HN 0.266 nan 8.380 nan 0.000 0.442 367 N N -0.029 118.708 118.700 0.063 0.000 2.727 367 N HA -0.197 4.542 4.740 -0.001 0.000 0.249 367 N C 0.256 175.796 175.510 0.051 0.000 1.048 367 N CA 0.617 53.721 53.050 0.089 0.000 0.714 367 N CB -0.921 37.651 38.487 0.142 0.000 0.959 367 N HN 0.656 nan 8.380 nan 0.000 0.544 368 I N 0.530 121.086 120.570 -0.024 0.000 2.208 368 I HA -0.204 3.966 4.170 -0.001 0.000 0.245 368 I C -0.521 175.475 176.117 -0.202 0.000 1.097 368 I CA 1.434 62.651 61.300 -0.138 0.000 1.363 368 I CB -0.873 37.014 38.000 -0.189 0.000 1.051 368 I HN 0.164 nan 8.210 nan 0.000 0.413 369 P HA -0.237 nan 4.420 nan 0.000 0.215 369 P C 1.583 178.878 177.300 -0.009 0.000 1.157 369 P CA 1.573 64.675 63.100 0.004 0.000 0.874 369 P CB -0.184 31.642 31.700 0.211 0.000 0.790 370 Y N 0.946 121.163 120.300 -0.139 0.000 2.097 370 Y HA -0.226 4.323 4.550 -0.000 0.000 0.282 370 Y C 2.330 178.050 175.900 -0.301 0.000 1.152 370 Y CA 1.734 59.724 58.100 -0.184 0.000 1.136 370 Y CB -1.267 37.077 38.460 -0.194 0.000 0.975 370 Y HN -0.116 nan 8.280 nan 0.000 0.498 371 A N 0.187 122.678 122.820 -0.550 0.000 1.986 371 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 371 A C 2.313 179.620 177.584 -0.462 0.000 1.171 371 A CA 2.074 53.658 52.037 -0.754 0.000 0.640 371 A CB -0.980 17.585 19.000 -0.725 0.000 0.811 371 A HN 0.592 nan 8.150 nan 0.000 0.451 372 L N -1.891 119.118 121.223 -0.355 0.000 2.189 372 L HA -0.013 4.327 4.340 -0.001 0.000 0.199 372 L C 2.541 179.339 176.870 -0.121 0.000 1.074 372 L CA 1.044 55.720 54.840 -0.273 0.000 0.783 372 L CB -0.507 41.294 42.059 -0.430 0.000 0.955 372 L HN 0.374 nan 8.230 nan 0.000 0.460 373 E N -0.419 119.741 120.200 -0.067 0.000 2.112 373 E HA -0.118 4.232 4.350 -0.001 0.000 0.190 373 E C 2.080 178.700 176.600 0.032 0.000 0.979 373 E CA 0.953 57.395 56.400 0.070 0.000 0.814 373 E CB 0.268 30.044 29.700 0.126 0.000 0.762 373 E HN 0.216 nan 8.360 nan 0.000 0.460 374 V N 0.657 120.526 119.914 -0.075 0.000 2.627 374 V HA -0.068 4.051 4.120 -0.001 0.000 0.239 374 V C 2.076 178.061 176.094 -0.181 0.000 1.077 374 V CA 0.687 62.932 62.300 -0.092 0.000 1.103 374 V CB -0.204 31.591 31.823 -0.045 0.000 0.802 374 V HN 0.167 nan 8.190 nan 0.000 0.482 375 L N -0.199 120.799 121.223 -0.374 0.000 2.023 375 L HA -0.068 4.272 4.340 -0.001 0.000 0.205 375 L C 2.602 179.363 176.870 -0.182 0.000 1.073 375 L CA 1.605 56.245 54.840 -0.332 0.000 0.745 375 L CB -0.733 41.017 42.059 -0.514 0.000 0.900 375 L HN 0.263 nan 8.230 nan 0.000 0.435 376 S N -0.638 114.957 115.700 -0.175 0.000 2.345 376 S HA -0.139 4.330 4.470 -0.001 0.000 0.219 376 S C 2.043 176.644 174.600 0.001 0.000 1.031 376 S CA 1.731 59.871 58.200 -0.100 0.000 0.984 376 S CB -0.263 62.866 63.200 -0.119 0.000 0.874 376 S HN 0.384 nan 8.310 nan 0.000 0.451 377 T N 1.607 116.211 114.554 0.083 0.000 2.708 377 T HA -0.057 4.293 4.350 -0.001 0.000 0.266 377 T C 2.044 176.866 174.700 0.204 0.000 1.037 377 T CA 1.407 63.664 62.100 0.262 0.000 1.146 377 T CB -0.873 68.179 68.868 0.308 0.000 0.865 377 T HN 0.535 nan 8.240 nan 0.000 0.435 378 G N 0.799 109.650 108.800 0.084 0.000 2.422 378 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.218 378 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.218 378 G C 1.721 176.640 174.900 0.033 0.000 1.146 378 G CA 0.958 46.093 45.100 0.058 0.000 0.769 378 G HN 0.567 nan 8.290 nan 0.000 0.547 379 G N 0.833 109.629 108.800 -0.006 0.000 2.418 379 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.217 379 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.217 379 G C 1.762 176.623 174.900 -0.066 0.000 1.158 379 G CA 0.706 45.790 45.100 -0.026 0.000 0.771 379 G HN 0.429 nan 8.290 nan 0.000 0.545 380 L N -1.266 119.881 121.223 -0.126 0.000 2.240 380 L HA 0.241 4.581 4.340 -0.001 0.000 0.211 380 L C 1.194 177.723 176.870 -0.568 0.000 1.106 380 L CA 0.392 55.027 54.840 -0.342 0.000 0.793 380 L CB 0.048 41.852 42.059 -0.425 0.000 0.927 380 L HN 0.110 nan 8.230 nan 0.000 0.446 381 F N -1.554 118.370 119.950 -0.044 0.000 2.805 381 F HA 0.200 4.727 4.527 -0.000 0.000 0.317 381 F C 1.875 177.636 175.800 -0.064 0.000 1.146 381 F CA -0.258 57.685 58.000 -0.094 0.000 1.265 381 F CB -0.163 38.753 39.000 -0.140 0.000 0.992 381 F HN -0.163 nan 8.300 nan 0.000 0.511 382 S N 0.140 115.880 115.700 0.067 0.000 2.402 382 S HA -0.213 4.257 4.470 -0.001 0.000 0.233 382 S C 1.620 176.249 174.600 0.047 0.000 1.030 382 S CA 1.835 60.066 58.200 0.050 0.000 1.003 382 S CB -0.253 62.966 63.200 0.032 0.000 0.813 382 S HN 0.595 nan 8.310 nan 0.000 0.477 383 D N -0.096 120.336 120.400 0.053 0.000 2.358 383 D HA 0.234 4.874 4.640 -0.001 0.000 0.224 383 D C 1.102 177.434 176.300 0.053 0.000 1.123 383 D CA 0.518 54.546 54.000 0.046 0.000 0.833 383 D CB -0.547 40.281 40.800 0.047 0.000 0.946 383 D HN 0.354 nan 8.370 nan 0.000 0.505 384 G N -0.094 108.744 108.800 0.064 0.000 2.155 384 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.257 384 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.257 384 G C 1.182 176.114 174.900 0.055 0.000 0.983 384 G CA 0.433 45.550 45.100 0.028 0.000 0.676 384 G HN 1.401 nan 8.290 nan 0.000 0.528 385 G N -1.223 107.673 108.800 0.159 0.000 2.157 385 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.248 385 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.248 385 G C 1.143 176.148 174.900 0.176 0.000 0.979 385 G CA 1.284 46.510 45.100 0.210 0.000 0.650 385 G HN 0.862 nan 8.290 nan 0.000 0.529 386 R N 0.561 121.126 120.500 0.109 0.000 2.070 386 R HA -0.056 4.283 4.340 -0.001 0.000 0.233 386 R C 2.828 179.190 176.300 0.102 0.000 1.137 386 R CA 1.997 58.148 56.100 0.086 0.000 0.945 386 R CB -0.445 29.889 30.300 0.056 0.000 0.845 386 R HN 0.451 nan 8.270 nan 0.000 0.430 387 S N 0.709 116.474 115.700 0.108 0.000 2.359 387 S HA -0.193 4.277 4.470 -0.001 0.000 0.224 387 S C 1.552 176.235 174.600 0.138 0.000 1.035 387 S CA 1.457 59.721 58.200 0.105 0.000 1.018 387 S CB -0.451 62.809 63.200 0.099 0.000 0.876 387 S HN 0.318 nan 8.310 nan 0.000 0.448 388 F N 2.382 122.339 119.950 0.011 0.000 2.095 388 F HA -0.100 4.426 4.527 -0.001 0.000 0.298 388 F C 1.829 177.716 175.800 0.145 0.000 1.104 388 F CA 1.279 59.297 58.000 0.030 0.000 1.232 388 F CB -0.470 38.491 39.000 -0.065 0.000 0.987 388 F HN 0.083 nan 8.300 nan 0.000 0.475 389 L N 0.041 121.327 121.223 0.105 0.000 2.191 389 L HA -0.229 4.111 4.340 -0.001 0.000 0.212 389 L C 2.458 179.356 176.870 0.047 0.000 1.103 389 L CA 0.715 55.578 54.840 0.038 0.000 0.769 389 L CB -0.758 41.334 42.059 0.053 0.000 0.908 389 L HN 0.198 nan 8.230 nan 0.000 0.438 390 Q N -0.122 119.691 119.800 0.022 0.000 2.226 390 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 390 Q C 1.803 177.778 176.000 -0.042 0.000 0.975 390 Q CA 1.091 56.896 55.803 0.003 0.000 0.866 390 Q CB -0.620 28.125 28.738 0.011 0.000 0.915 390 Q HN 0.612 nan 8.270 nan 0.000 0.440 391 N N -0.229 118.406 118.700 -0.109 0.000 2.381 391 N HA -0.079 4.661 4.740 -0.001 0.000 0.182 391 N C 1.017 176.301 175.510 -0.377 0.000 1.025 391 N CA 0.757 53.650 53.050 -0.263 0.000 0.888 391 N CB -0.097 38.136 38.487 -0.424 0.000 0.965 391 N HN 0.272 nan 8.380 nan 0.000 0.438 392 F N 1.143 120.967 119.950 -0.209 0.000 2.765 392 F HA 0.191 4.718 4.527 0.000 0.000 0.302 392 F C 0.768 176.497 175.800 -0.118 0.000 1.111 392 F CA -0.135 57.768 58.000 -0.162 0.000 1.359 392 F CB 0.215 39.106 39.000 -0.181 0.000 1.097 392 F HN -0.339 nan 8.300 nan 0.000 0.577 393 K N 0.612 121.026 120.400 0.024 0.000 2.436 393 K HA 0.242 4.562 4.320 -0.001 0.000 0.282 393 K C 1.194 177.766 176.600 -0.048 0.000 1.044 393 K CA 0.863 57.144 56.287 -0.010 0.000 1.028 393 K CB 0.076 32.565 32.500 -0.019 0.000 0.919 393 K HN 0.353 nan 8.250 nan 0.000 0.474 394 G N 2.298 111.059 108.800 -0.066 0.000 2.179 394 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.260 394 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.260 394 G C -0.120 174.678 174.900 -0.170 0.000 0.977 394 G CA 0.230 45.263 45.100 -0.112 0.000 0.641 394 G HN 0.641 nan 8.290 nan 0.000 0.533 395 D N -0.653 119.670 120.400 -0.129 0.000 2.272 395 D HA 0.641 5.280 4.640 -0.001 0.000 0.247 395 D C 0.605 176.820 176.300 -0.142 0.000 0.990 395 D CA -0.805 53.119 54.000 -0.128 0.000 0.931 395 D CB 0.629 41.398 40.800 -0.052 0.000 1.195 395 D HN -0.029 nan 8.370 nan 0.000 0.477 396 F N 0.086 120.060 119.950 0.040 0.000 2.490 396 F HA 0.192 4.718 4.527 -0.001 0.000 0.336 396 F C 0.732 176.610 175.800 0.129 0.000 1.178 396 F CA -0.233 57.803 58.000 0.059 0.000 1.301 396 F CB 0.650 39.669 39.000 0.031 0.000 1.175 396 F HN -0.084 nan 8.300 nan 0.000 0.593 397 V N 2.046 122.157 119.914 0.329 0.000 2.334 397 V HA 0.103 4.223 4.120 -0.001 0.000 0.281 397 V C -0.131 176.081 176.094 0.197 0.000 1.016 397 V CA -1.024 61.426 62.300 0.250 0.000 0.832 397 V CB 1.146 33.032 31.823 0.107 0.000 0.999 397 V HN 0.658 nan 8.190 nan 0.000 0.439 398 D N 6.455 126.975 120.400 0.200 0.000 2.455 398 D HA 0.091 4.730 4.640 -0.001 0.000 0.241 398 D C -1.545 174.807 176.300 0.086 0.000 1.138 398 D CA -1.173 52.902 54.000 0.125 0.000 0.877 398 D CB 2.238 43.113 40.800 0.125 0.000 1.187 398 D HN 0.228 nan 8.370 nan 0.000 0.451 399 P HA -0.116 nan 4.420 nan 0.000 0.219 399 P C 1.515 178.828 177.300 0.021 0.000 1.146 399 P CA 0.808 63.927 63.100 0.030 0.000 0.808 399 P CB -0.114 31.593 31.700 0.013 0.000 0.779 400 C N -2.427 116.887 119.300 0.023 0.000 2.472 400 C HA 0.089 4.548 4.460 -0.001 0.000 0.278 400 C C 2.164 177.157 174.990 0.005 0.000 1.447 400 C CA -0.077 58.940 59.018 -0.002 0.000 1.773 400 C CB -2.125 25.612 27.740 -0.004 0.000 1.793 400 C HN 0.096 nan 8.230 nan 0.000 0.544 401 L N 1.305 122.559 121.223 0.052 0.000 2.591 401 L HA 0.317 4.657 4.340 -0.001 0.000 0.228 401 L C 2.028 178.928 176.870 0.051 0.000 1.133 401 L CA 0.634 55.520 54.840 0.077 0.000 0.880 401 L CB -1.060 41.074 42.059 0.126 0.000 1.033 401 L HN 0.697 nan 8.230 nan 0.000 0.450 402 G N 0.980 109.796 108.800 0.028 0.000 2.556 402 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.283 402 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.283 402 G C 0.192 175.113 174.900 0.036 0.000 1.177 402 G CA 0.300 45.416 45.100 0.027 0.000 0.978 402 G HN 0.289 nan 8.290 nan 0.000 0.554 403 D N 0.672 121.103 120.400 0.052 0.000 2.368 403 D HA 0.223 4.862 4.640 -0.001 0.000 0.218 403 D C 2.266 178.594 176.300 0.047 0.000 1.112 403 D CA 0.069 54.096 54.000 0.045 0.000 0.834 403 D CB 0.518 41.350 40.800 0.054 0.000 0.953 403 D HN 0.253 nan 8.370 nan 0.000 0.505 404 L N 1.061 122.323 121.223 0.066 0.000 1.990 404 L HA -0.225 4.114 4.340 -0.001 0.000 0.213 404 L C 1.807 178.676 176.870 -0.001 0.000 1.072 404 L CA 1.696 56.582 54.840 0.076 0.000 0.755 404 L CB -0.434 41.710 42.059 0.142 0.000 0.889 404 L HN -0.057 nan 8.230 nan 0.000 0.432 405 I N -0.803 119.732 120.570 -0.058 0.000 2.179 405 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 405 I C 2.627 178.687 176.117 -0.095 0.000 1.088 405 I CA 1.393 62.606 61.300 -0.144 0.000 1.357 405 I CB -1.428 36.382 38.000 -0.316 0.000 1.051 405 I HN 0.351 nan 8.210 nan 0.000 0.409 406 L N 0.373 121.558 121.223 -0.064 0.000 2.013 406 L HA -0.258 4.081 4.340 -0.001 0.000 0.212 406 L C 2.545 179.387 176.870 -0.047 0.000 1.073 406 L CA 1.721 56.533 54.840 -0.047 0.000 0.753 406 L CB -0.162 41.883 42.059 -0.023 0.000 0.890 406 L HN 0.120 nan 8.230 nan 0.000 0.432 407 I N -0.711 119.836 120.570 -0.038 0.000 2.252 407 I HA -0.328 3.842 4.170 -0.001 0.000 0.245 407 I C 2.358 178.406 176.117 -0.115 0.000 1.102 407 I CA 1.149 62.416 61.300 -0.056 0.000 1.385 407 I CB -0.214 37.769 38.000 -0.028 0.000 1.064 407 I HN 0.281 nan 8.210 nan 0.000 0.414 408 L N 0.124 121.270 121.223 -0.129 0.000 2.131 408 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 408 L C 2.656 179.472 176.870 -0.090 0.000 1.092 408 L CA 1.247 56.004 54.840 -0.138 0.000 0.759 408 L CB -0.491 41.522 42.059 -0.076 0.000 0.903 408 L HN 0.170 nan 8.230 nan 0.000 0.435 409 R N -0.337 120.117 120.500 -0.076 0.000 2.148 409 R HA -0.012 4.328 4.340 -0.001 0.000 0.227 409 R C 0.674 176.924 176.300 -0.083 0.000 1.103 409 R CA 0.312 56.371 56.100 -0.067 0.000 0.983 409 R CB -0.154 30.107 30.300 -0.066 0.000 0.874 409 R HN 0.237 nan 8.270 nan 0.000 0.451 410 L N 1.908 123.073 121.223 -0.096 0.000 2.483 410 L HA 0.092 4.432 4.340 -0.001 0.000 0.275 410 L C -1.978 174.800 176.870 -0.153 0.000 1.220 410 L CA -1.824 52.944 54.840 -0.121 0.000 0.833 410 L CB -0.004 42.030 42.059 -0.042 0.000 1.102 410 L HN -0.121 nan 8.230 nan 0.000 0.490 411 P HA 0.004 nan 4.420 nan 0.000 0.271 411 P C 0.394 177.532 177.300 -0.270 0.000 1.218 411 P CA -0.081 62.853 63.100 -0.276 0.000 0.780 411 P CB 0.949 32.344 31.700 -0.509 0.000 0.901 412 S N 2.501 118.149 115.700 -0.087 0.000 2.419 412 S HA -0.125 4.345 4.470 -0.001 0.000 0.235 412 S C 1.380 175.995 174.600 0.025 0.000 1.019 412 S CA 1.125 59.310 58.200 -0.025 0.000 0.982 412 S CB -0.647 62.577 63.200 0.041 0.000 0.789 412 S HN 0.684 nan 8.310 nan 0.000 0.490 413 W N -0.427 120.901 121.300 0.045 0.000 2.453 413 W HA 0.022 4.681 4.660 -0.001 0.000 0.289 413 W C 1.725 178.291 176.519 0.078 0.000 1.215 413 W CA 0.258 57.633 57.345 0.049 0.000 1.297 413 W CB -1.146 28.348 29.460 0.056 0.000 1.113 413 W HN 0.370 nan 8.180 nan 0.000 0.551 414 F N 2.710 122.086 119.950 -0.957 0.000 2.456 414 F HA 0.087 4.614 4.527 -0.001 0.000 0.298 414 F C 2.323 177.892 175.800 -0.384 0.000 1.104 414 F CA 1.331 58.792 58.000 -0.897 0.000 1.435 414 F CB -0.140 38.027 39.000 -1.388 0.000 1.078 414 F HN -0.290 nan 8.300 nan 0.000 0.546 415 K N 0.068 120.301 120.400 -0.278 0.000 2.001 415 K HA -0.169 4.151 4.320 -0.001 0.000 0.208 415 K C 2.282 178.759 176.600 -0.205 0.000 1.048 415 K CA 1.337 57.481 56.287 -0.238 0.000 0.932 415 K CB -0.363 32.032 32.500 -0.175 0.000 0.715 415 K HN 0.140 nan 8.250 nan 0.000 0.437 416 R N 1.136 121.569 120.500 -0.112 0.000 2.103 416 R HA -0.196 4.143 4.340 -0.001 0.000 0.242 416 R C 2.337 178.600 176.300 -0.062 0.000 1.142 416 R CA 1.433 57.503 56.100 -0.050 0.000 0.960 416 R CB -0.277 30.041 30.300 0.030 0.000 0.858 416 R HN 0.129 nan 8.270 nan 0.000 0.439 417 L N 0.801 121.977 121.223 -0.078 0.000 2.005 417 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 417 L C 2.096 178.852 176.870 -0.190 0.000 1.072 417 L CA 1.564 56.356 54.840 -0.080 0.000 0.744 417 L CB -0.921 41.141 42.059 0.005 0.000 0.895 417 L HN 0.260 nan 8.230 nan 0.000 0.433 418 L N -0.737 120.257 121.223 -0.383 0.000 2.127 418 L HA -0.177 4.162 4.340 -0.001 0.000 0.211 418 L C 2.670 179.429 176.870 -0.186 0.000 1.089 418 L CA 1.955 56.582 54.840 -0.355 0.000 0.757 418 L CB -0.798 40.942 42.059 -0.531 0.000 0.899 418 L HN 0.505 nan 8.230 nan 0.000 0.434 419 S N -1.026 114.581 115.700 -0.155 0.000 2.368 419 S HA -0.145 4.325 4.470 -0.001 0.000 0.225 419 S C 1.967 176.533 174.600 -0.056 0.000 1.030 419 S CA 1.495 59.643 58.200 -0.088 0.000 0.999 419 S CB -0.305 62.850 63.200 -0.075 0.000 0.844 419 S HN 0.506 nan 8.310 nan 0.000 0.459 420 L N 0.515 121.704 121.223 -0.055 0.000 2.141 420 L HA -0.028 4.312 4.340 -0.001 0.000 0.209 420 L C 2.276 179.127 176.870 -0.032 0.000 1.094 420 L CA 0.551 55.371 54.840 -0.033 0.000 0.763 420 L CB -0.407 41.639 42.059 -0.021 0.000 0.908 420 L HN 0.296 nan 8.230 nan 0.000 0.437 421 L N -0.675 120.521 121.223 -0.045 0.000 2.093 421 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 421 L C 2.238 179.102 176.870 -0.010 0.000 1.085 421 L CA 1.580 56.401 54.840 -0.031 0.000 0.755 421 L CB -0.405 41.629 42.059 -0.042 0.000 0.904 421 L HN 0.158 nan 8.230 nan 0.000 0.435 422 L N -1.029 120.193 121.223 -0.001 0.000 2.395 422 L HA -0.131 4.208 4.340 -0.001 0.000 0.218 422 L C 2.428 179.317 176.870 0.033 0.000 1.130 422 L CA 0.465 55.344 54.840 0.065 0.000 0.826 422 L CB -0.338 41.759 42.059 0.063 0.000 0.941 422 L HN 0.239 nan 8.230 nan 0.000 0.451 423 K N 0.942 121.339 120.400 -0.005 0.000 2.032 423 K HA -0.166 4.153 4.320 -0.001 0.000 0.209 423 K C -0.501 176.075 176.600 -0.039 0.000 1.048 423 K CA 1.525 57.804 56.287 -0.014 0.000 0.927 423 K CB -0.761 31.731 32.500 -0.013 0.000 0.712 423 K HN 0.121 nan 8.250 nan 0.000 0.441 424 P HA -0.154 nan 4.420 nan 0.000 0.214 424 P C 1.126 178.325 177.300 -0.168 0.000 1.163 424 P CA 1.339 64.386 63.100 -0.090 0.000 0.883 424 P CB 0.070 31.720 31.700 -0.083 0.000 0.788 425 L N -3.349 117.709 121.223 -0.275 0.000 2.209 425 L HA 0.068 4.408 4.340 -0.001 0.000 0.207 425 L C 0.631 176.990 176.870 -0.851 0.000 1.094 425 L CA 0.777 55.232 54.840 -0.642 0.000 0.790 425 L CB -0.131 41.401 42.059 -0.879 0.000 0.932 425 L HN -0.132 nan 8.230 nan 0.000 0.447 426 F N -0.904 119.010 119.950 -0.061 0.000 2.710 426 F HA 0.297 4.823 4.527 -0.001 0.000 0.345 426 F C -1.756 173.964 175.800 -0.133 0.000 1.362 426 F CA -1.495 56.441 58.000 -0.106 0.000 1.175 426 F CB 0.581 39.484 39.000 -0.161 0.000 1.561 426 F HN -0.197 nan 8.300 nan 0.000 0.593 427 P HA -0.155 nan 4.420 nan 0.000 0.219 427 P C 1.614 178.868 177.300 -0.076 0.000 1.146 427 P CA 1.319 64.418 63.100 -0.000 0.000 0.808 427 P CB 0.277 32.008 31.700 0.051 0.000 0.779 428 R N -0.398 119.955 120.500 -0.246 0.000 2.062 428 R HA -0.008 4.331 4.340 -0.001 0.000 0.231 428 R C 2.541 178.669 176.300 -0.287 0.000 1.136 428 R CA 1.137 57.012 56.100 -0.374 0.000 0.948 428 R CB -0.986 28.847 30.300 -0.778 0.000 0.845 428 R HN 0.242 nan 8.270 nan 0.000 0.430 429 L N 0.151 121.121 121.223 -0.422 0.000 2.042 429 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 429 L C 2.725 179.555 176.870 -0.067 0.000 1.076 429 L CA 1.393 56.012 54.840 -0.369 0.000 0.749 429 L CB -0.748 41.060 42.059 -0.419 0.000 0.893 429 L HN 0.243 nan 8.230 nan 0.000 0.432 430 A N 0.241 123.033 122.820 -0.046 0.000 1.877 430 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 430 A C 2.560 180.156 177.584 0.020 0.000 1.186 430 A CA 1.875 53.906 52.037 -0.012 0.000 0.620 430 A CB -0.729 18.267 19.000 -0.007 0.000 0.822 430 A HN 0.407 nan 8.150 nan 0.000 0.443 431 A N -1.288 121.561 122.820 0.048 0.000 1.933 431 A HA -0.006 4.313 4.320 -0.001 0.000 0.218 431 A C 2.015 179.690 177.584 0.152 0.000 1.175 431 A CA 1.624 53.713 52.037 0.088 0.000 0.628 431 A CB -0.699 18.364 19.000 0.105 0.000 0.814 431 A HN 0.623 nan 8.150 nan 0.000 0.444 432 F N 0.795 120.763 119.950 0.029 0.000 2.026 432 F HA -0.181 4.345 4.527 -0.001 0.000 0.296 432 F C 2.009 177.807 175.800 -0.004 0.000 1.133 432 F CA 1.779 59.827 58.000 0.081 0.000 1.188 432 F CB -0.682 38.446 39.000 0.213 0.000 0.968 432 F HN 0.144 nan 8.300 nan 0.000 0.476 433 L N 0.156 121.338 121.223 -0.069 0.000 2.043 433 L HA -0.312 4.028 4.340 -0.001 0.000 0.212 433 L C 2.457 179.214 176.870 -0.189 0.000 1.075 433 L CA 1.933 56.640 54.840 -0.222 0.000 0.752 433 L CB -0.930 41.051 42.059 -0.130 0.000 0.891 433 L HN 0.348 nan 8.230 nan 0.000 0.432 434 N N -0.017 118.627 118.700 -0.093 0.000 2.309 434 N HA -0.146 4.594 4.740 -0.001 0.000 0.182 434 N C 1.212 176.687 175.510 -0.057 0.000 1.018 434 N CA 0.788 53.801 53.050 -0.063 0.000 0.876 434 N CB 0.138 38.613 38.487 -0.020 0.000 0.972 434 N HN 0.426 nan 8.380 nan 0.000 0.434 435 N N 0.707 119.371 118.700 -0.060 0.000 2.280 435 N HA 0.035 4.775 4.740 -0.001 0.000 0.192 435 N C 0.774 176.250 175.510 -0.056 0.000 1.109 435 N CA 0.091 53.126 53.050 -0.025 0.000 0.855 435 N CB 0.358 38.866 38.487 0.034 0.000 0.974 435 N HN 0.473 nan 8.380 nan 0.000 0.482 436 M N -0.895 118.588 119.600 -0.195 0.000 2.637 436 M HA 0.346 4.826 4.480 -0.001 0.000 0.286 436 M C -0.341 175.857 176.300 -0.169 0.000 1.246 436 M CA -0.258 54.888 55.300 -0.256 0.000 0.978 436 M CB 0.230 32.363 32.600 -0.778 0.000 1.417 436 M HN -0.278 nan 8.290 nan 0.000 0.487 437 R N 2.148 122.594 120.500 -0.091 0.000 2.457 437 R HA 0.541 4.880 4.340 -0.001 0.000 0.284 437 R C -2.413 173.878 176.300 -0.014 0.000 1.024 437 R CA -1.619 54.446 56.100 -0.058 0.000 1.025 437 R CB 0.461 30.735 30.300 -0.043 0.000 1.063 437 R HN 0.140 nan 8.270 nan 0.000 0.493 438 P HA 0.034 nan 4.420 nan 0.000 0.271 438 P C -1.081 176.223 177.300 0.007 0.000 1.218 438 P CA 0.118 63.224 63.100 0.009 0.000 0.780 438 P CB 0.792 32.498 31.700 0.011 0.000 0.901 439 R N 0.248 120.751 120.500 0.005 0.000 2.781 439 R HA 0.597 4.937 4.340 -0.001 0.000 0.269 439 R C -0.587 175.701 176.300 -0.021 0.000 1.025 439 R CA -0.824 55.273 56.100 -0.004 0.000 0.914 439 R CB 0.676 30.977 30.300 0.002 0.000 1.236 439 R HN 0.466 nan 8.270 nan 0.000 0.465 440 S N 0.041 115.716 115.700 -0.041 0.000 2.645 440 S HA 0.375 4.845 4.470 -0.001 0.000 0.266 440 S C 1.343 175.868 174.600 -0.126 0.000 1.258 440 S CA -0.217 57.934 58.200 -0.080 0.000 0.990 440 S CB 1.431 64.575 63.200 -0.093 0.000 0.967 440 S HN 0.823 nan 8.310 nan 0.000 0.556 441 A N 0.282 122.981 122.820 -0.202 0.000 1.940 441 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 441 A C 2.133 179.372 177.584 -0.575 0.000 1.176 441 A CA 1.791 53.618 52.037 -0.350 0.000 0.631 441 A CB -1.230 17.521 19.000 -0.414 0.000 0.814 441 A HN 1.009 nan 8.150 nan 0.000 0.446 442 E N -0.227 119.687 120.200 -0.478 0.000 2.038 442 E HA -0.234 4.116 4.350 -0.001 0.000 0.195 442 E C 1.787 178.309 176.600 -0.129 0.000 1.000 442 E CA 1.384 57.554 56.400 -0.383 0.000 0.803 442 E CB -0.048 29.521 29.700 -0.219 0.000 0.750 442 E HN 0.354 nan 8.360 nan 0.000 0.448 443 K N 0.458 120.810 120.400 -0.079 0.000 2.097 443 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 443 K C 2.166 178.793 176.600 0.045 0.000 1.049 443 K CA 0.478 56.768 56.287 0.004 0.000 0.933 443 K CB -0.500 32.000 32.500 -0.000 0.000 0.717 443 K HN 0.207 nan 8.250 nan 0.000 0.442 444 L N 0.061 121.293 121.223 0.015 0.000 2.131 444 L HA -0.113 4.227 4.340 -0.001 0.000 0.210 444 L C 1.801 178.812 176.870 0.235 0.000 1.092 444 L CA 1.505 56.398 54.840 0.088 0.000 0.759 444 L CB -0.551 41.545 42.059 0.061 0.000 0.903 444 L HN 0.176 nan 8.230 nan 0.000 0.435 445 W N -0.001 121.321 121.300 0.038 0.000 2.381 445 W HA -0.106 4.554 4.660 -0.001 0.000 0.301 445 W C 2.654 179.213 176.519 0.067 0.000 1.205 445 W CA 0.764 58.135 57.345 0.042 0.000 1.285 445 W CB -0.883 28.591 29.460 0.024 0.000 1.133 445 W HN 0.112 nan 8.180 nan 0.000 0.521 446 K N 0.595 121.180 120.400 0.308 0.000 2.026 446 K HA -0.185 4.135 4.320 -0.001 0.000 0.208 446 K C 2.071 178.794 176.600 0.205 0.000 1.048 446 K CA 1.189 57.616 56.287 0.233 0.000 0.929 446 K CB -0.833 31.769 32.500 0.170 0.000 0.713 446 K HN 0.134 nan 8.250 nan 0.000 0.439 447 L N 1.763 123.080 121.223 0.158 0.000 2.042 447 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 447 L C 2.557 179.493 176.870 0.110 0.000 1.076 447 L CA 1.921 56.825 54.840 0.107 0.000 0.749 447 L CB -0.661 41.441 42.059 0.071 0.000 0.893 447 L HN 0.203 nan 8.230 nan 0.000 0.432 448 Q N -1.220 118.670 119.800 0.150 0.000 2.124 448 Q HA -0.277 4.063 4.340 -0.001 0.000 0.202 448 Q C 2.284 178.378 176.000 0.156 0.000 0.977 448 Q CA 2.085 57.968 55.803 0.134 0.000 0.850 448 Q CB -0.509 28.317 28.738 0.146 0.000 0.901 448 Q HN 0.742 nan 8.270 nan 0.000 0.429 449 H N -0.373 118.743 119.070 0.078 0.000 2.363 449 H HA -0.049 4.506 4.556 -0.001 0.000 0.301 449 H C 1.566 176.946 175.328 0.087 0.000 1.074 449 H CA 1.404 57.493 56.048 0.069 0.000 1.354 449 H CB 0.366 30.171 29.762 0.071 0.000 1.397 449 H HN 0.438 nan 8.280 nan 0.000 0.516 450 E N 0.519 120.759 120.200 0.067 0.000 2.097 450 E HA -0.183 4.167 4.350 -0.001 0.000 0.196 450 E C 2.402 179.024 176.600 0.037 0.000 1.000 450 E CA 1.321 57.748 56.400 0.045 0.000 0.804 450 E CB 0.003 29.776 29.700 0.122 0.000 0.740 450 E HN 0.536 nan 8.360 nan 0.000 0.454 451 I N 1.049 121.629 120.570 0.017 0.000 2.208 451 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 451 I C 2.675 178.829 176.117 0.063 0.000 1.097 451 I CA 1.205 62.518 61.300 0.021 0.000 1.363 451 I CB -0.279 37.721 38.000 -0.000 0.000 1.051 451 I HN 0.166 nan 8.210 nan 0.000 0.413 452 E N 1.023 121.243 120.200 0.033 0.000 2.072 452 E HA -0.224 4.126 4.350 -0.001 0.000 0.191 452 E C 2.388 178.985 176.600 -0.005 0.000 0.985 452 E CA 1.210 57.625 56.400 0.025 0.000 0.801 452 E CB 0.020 29.746 29.700 0.043 0.000 0.750 452 E HN 0.428 nan 8.360 nan 0.000 0.452 453 M N -0.481 119.075 119.600 -0.073 0.000 2.229 453 M HA -0.136 4.343 4.480 -0.001 0.000 0.264 453 M C 2.125 178.462 176.300 0.062 0.000 1.063 453 M CA 1.115 56.379 55.300 -0.059 0.000 1.114 453 M CB -0.282 32.229 32.600 -0.147 0.000 1.387 453 M HN 0.240 nan 8.290 nan 0.000 0.420 454 Y N 0.774 121.074 120.300 -0.001 0.000 2.200 454 Y HA -0.195 4.354 4.550 -0.001 0.000 0.290 454 Y C 2.598 178.507 175.900 0.016 0.000 1.137 454 Y CA 1.557 59.678 58.100 0.035 0.000 1.163 454 Y CB -0.096 38.380 38.460 0.025 0.000 0.988 454 Y HN 0.053 nan 8.280 nan 0.000 0.518 455 R N -0.030 120.461 120.500 -0.016 0.000 2.096 455 R HA -0.221 4.118 4.340 -0.001 0.000 0.240 455 R C 2.244 178.522 176.300 -0.037 0.000 1.139 455 R CA 2.070 58.139 56.100 -0.051 0.000 0.952 455 R CB -0.158 30.174 30.300 0.053 0.000 0.854 455 R HN 0.391 nan 8.270 nan 0.000 0.436 456 Q N -0.257 119.535 119.800 -0.014 0.000 2.119 456 Q HA -0.122 4.218 4.340 -0.001 0.000 0.201 456 Q C 2.112 178.104 176.000 -0.013 0.000 0.972 456 Q CA 1.506 57.309 55.803 0.000 0.000 0.847 456 Q CB -0.338 28.405 28.738 0.008 0.000 0.903 456 Q HN 0.275 nan 8.270 nan 0.000 0.433 457 S N 0.191 115.857 115.700 -0.057 0.000 2.353 457 S HA -0.127 4.343 4.470 -0.001 0.000 0.222 457 S C 2.054 176.618 174.600 -0.061 0.000 1.035 457 S CA 1.525 59.688 58.200 -0.062 0.000 1.025 457 S CB -0.137 63.015 63.200 -0.079 0.000 0.902 457 S HN 0.198 nan 8.310 nan 0.000 0.440 458 V N 1.880 121.684 119.914 -0.183 0.000 2.515 458 V HA -0.107 4.013 4.120 -0.001 0.000 0.250 458 V C 2.254 178.495 176.094 0.244 0.000 1.058 458 V CA 1.698 63.992 62.300 -0.010 0.000 1.064 458 V CB -0.677 31.033 31.823 -0.190 0.000 0.675 458 V HN 0.500 nan 8.190 nan 0.000 0.461 459 I N 0.539 121.205 120.570 0.159 0.000 2.179 459 I HA -0.239 3.931 4.170 -0.001 0.000 0.242 459 I C 2.674 178.877 176.117 0.144 0.000 1.088 459 I CA 1.556 62.913 61.300 0.097 0.000 1.357 459 I CB -0.558 37.437 38.000 -0.008 0.000 1.051 459 I HN 0.287 nan 8.210 nan 0.000 0.409 460 A N -0.110 122.779 122.820 0.115 0.000 1.902 460 A HA -0.283 4.036 4.320 -0.001 0.000 0.217 460 A C 2.308 180.002 177.584 0.182 0.000 1.181 460 A CA 1.744 53.851 52.037 0.117 0.000 0.623 460 A CB -0.733 18.310 19.000 0.072 0.000 0.818 460 A HN 0.489 nan 8.150 nan 0.000 0.443 461 Q N -1.360 118.574 119.800 0.223 0.000 2.045 461 Q HA -0.235 4.104 4.340 -0.001 0.000 0.206 461 Q C 2.049 178.353 176.000 0.507 0.000 0.991 461 Q CA 1.969 57.959 55.803 0.312 0.000 0.851 461 Q CB -0.311 28.597 28.738 0.283 0.000 0.911 461 Q HN 0.869 nan 8.270 nan 0.000 0.418 462 W N 1.503 122.982 121.300 0.298 0.000 2.335 462 W HA -0.211 4.449 4.660 -0.000 0.000 0.311 462 W C 1.475 177.981 176.519 -0.023 0.000 1.213 462 W CA 1.623 58.987 57.345 0.032 0.000 1.274 462 W CB -0.143 29.324 29.460 0.012 0.000 1.148 462 W HN 0.152 nan 8.180 nan 0.000 0.498 463 K N -0.034 120.588 120.400 0.371 0.000 2.155 463 K HA -0.065 4.254 4.320 -0.001 0.000 0.203 463 K C 2.221 178.899 176.600 0.130 0.000 1.052 463 K CA 1.184 57.604 56.287 0.221 0.000 0.948 463 K CB -0.467 32.121 32.500 0.147 0.000 0.728 463 K HN 0.067 nan 8.250 nan 0.000 0.448 464 A N 1.058 123.962 122.820 0.140 0.000 2.019 464 A HA -0.093 4.227 4.320 -0.001 0.000 0.219 464 A C 1.880 179.512 177.584 0.080 0.000 1.164 464 A CA 1.194 53.292 52.037 0.101 0.000 0.644 464 A CB -0.161 18.904 19.000 0.107 0.000 0.805 464 A HN 0.119 nan 8.150 nan 0.000 0.449 465 M N -0.648 119.002 119.600 0.082 0.000 2.495 465 M HA 0.126 4.606 4.480 -0.001 0.000 0.237 465 M C 0.596 176.856 176.300 -0.067 0.000 1.131 465 M CA -0.101 55.209 55.300 0.016 0.000 1.032 465 M CB -1.528 31.094 32.600 0.036 0.000 1.513 465 M HN 0.677 nan 8.290 nan 0.000 0.488 466 N N 1.646 120.324 118.700 -0.037 0.000 2.727 466 N HA -0.169 4.571 4.740 -0.001 0.000 0.249 466 N C -0.870 174.556 175.510 -0.140 0.000 1.048 466 N CA -0.186 52.839 53.050 -0.042 0.000 0.714 466 N CB -0.546 37.928 38.487 -0.021 0.000 0.959 466 N HN 0.364 nan 8.380 nan 0.000 0.544 467 L N 0.010 121.031 121.223 -0.336 0.000 2.467 467 L HA 0.064 4.403 4.340 -0.001 0.000 0.270 467 L C 1.366 178.084 176.870 -0.254 0.000 1.205 467 L CA -0.097 54.398 54.840 -0.575 0.000 0.828 467 L CB 0.393 41.566 42.059 -1.475 0.000 1.101 467 L HN 0.173 nan 8.230 nan 0.000 0.479 468 D N 0.521 120.781 120.400 -0.232 0.000 2.338 468 D HA 0.094 4.734 4.640 -0.001 0.000 0.224 468 D C 0.293 176.595 176.300 0.003 0.000 0.967 468 D CA 1.001 54.965 54.000 -0.060 0.000 0.896 468 D CB 0.788 41.512 40.800 -0.127 0.000 1.028 468 D HN 0.369 nan 8.370 nan 0.000 0.493 469 V N -1.531 118.211 119.914 -0.288 0.000 3.202 469 V HA 0.670 4.790 4.120 -0.001 0.000 0.306 469 V C -1.600 174.188 176.094 -0.510 0.000 1.283 469 V CA -1.160 60.981 62.300 -0.266 0.000 1.065 469 V CB 2.668 34.109 31.823 -0.636 0.000 1.079 469 V HN -0.075 nan 8.190 nan 0.000 0.448 470 L N 1.832 122.914 121.223 -0.235 0.000 2.410 470 L HA 0.826 5.166 4.340 -0.001 0.000 0.270 470 L C -1.233 175.695 176.870 0.096 0.000 0.983 470 L CA -0.644 54.101 54.840 -0.159 0.000 0.822 470 L CB 1.565 43.598 42.059 -0.042 0.000 1.285 470 L HN 0.926 nan 8.230 nan 0.000 0.409 471 L N 4.783 126.080 121.223 0.124 0.000 2.282 471 L HA 0.861 5.201 4.340 -0.001 0.000 0.288 471 L C -0.149 176.683 176.870 -0.064 0.000 1.033 471 L CA 0.480 55.416 54.840 0.160 0.000 0.807 471 L CB 1.514 43.712 42.059 0.232 0.000 1.209 471 L HN 0.903 nan 8.230 nan 0.000 0.423 472 T N 2.574 117.031 114.554 -0.161 0.000 2.883 472 T HA 0.764 5.113 4.350 -0.001 0.000 0.296 472 T C -2.924 171.641 174.700 -0.226 0.000 1.117 472 T CA -2.083 59.763 62.100 -0.423 0.000 1.006 472 T CB 1.922 70.553 68.868 -0.395 0.000 1.191 472 T HN 0.356 nan 8.240 nan 0.000 0.508 473 P HA 0.465 nan 4.420 nan 0.000 0.272 473 P C -0.972 176.146 177.300 -0.303 0.000 1.230 473 P CA -0.608 62.327 63.100 -0.275 0.000 0.788 473 P CB 0.315 31.763 31.700 -0.420 0.000 0.949 474 M N 2.146 121.596 119.600 -0.250 0.000 2.395 474 M HA 0.410 4.889 4.480 -0.001 0.000 0.307 474 M C -1.458 174.783 176.300 -0.099 0.000 1.091 474 M CA -1.444 53.764 55.300 -0.154 0.000 0.919 474 M CB 1.240 33.790 32.600 -0.083 0.000 1.662 474 M HN 0.075 nan 8.290 nan 0.000 0.440 475 L N 4.420 125.661 121.223 0.031 0.000 2.578 475 L HA 0.533 4.872 4.340 -0.001 0.000 0.279 475 L C 0.159 177.227 176.870 0.330 0.000 1.227 475 L CA 1.720 56.697 54.840 0.228 0.000 0.900 475 L CB -0.290 42.048 42.059 0.464 0.000 1.144 475 L HN 0.892 nan 8.230 nan 0.000 0.496 476 G N 4.499 113.415 108.800 0.194 0.000 2.340 476 G HA2 0.327 4.287 3.960 -0.001 0.000 0.298 476 G HA3 0.327 4.287 3.960 -0.001 0.000 0.298 476 G C -3.287 171.581 174.900 -0.053 0.000 1.498 476 G CA -0.618 44.520 45.100 0.064 0.000 0.847 476 G HN 0.537 nan 8.290 nan 0.000 0.594 477 P HA 0.457 nan 4.420 nan 0.000 0.277 477 P C 0.473 177.475 177.300 -0.497 0.000 1.276 477 P CA 0.240 63.199 63.100 -0.235 0.000 0.788 477 P CB 0.521 32.094 31.700 -0.212 0.000 1.114 478 A N 0.429 122.836 122.820 -0.688 0.000 2.567 478 A HA 0.134 4.454 4.320 -0.001 0.000 0.240 478 A C 0.283 177.444 177.584 -0.705 0.000 1.053 478 A CA 0.117 51.439 52.037 -1.191 0.000 0.755 478 A CB -1.098 17.556 19.000 -0.576 0.000 0.978 478 A HN 0.390 nan 8.150 nan 0.000 0.507 479 L N 2.358 123.165 121.223 -0.694 0.000 2.452 479 L HA 0.179 4.519 4.340 -0.001 0.000 0.267 479 L C 0.494 177.260 176.870 -0.174 0.000 1.188 479 L CA 0.210 54.885 54.840 -0.275 0.000 0.821 479 L CB 0.141 42.131 42.059 -0.114 0.000 1.102 479 L HN 0.615 nan 8.230 nan 0.000 0.470 480 D N 1.356 121.684 120.400 -0.120 0.000 2.506 480 D HA 0.071 4.711 4.640 -0.001 0.000 0.234 480 D C 0.117 176.378 176.300 -0.065 0.000 1.143 480 D CA 0.082 54.034 54.000 -0.080 0.000 0.871 480 D CB 0.302 41.063 40.800 -0.065 0.000 1.190 480 D HN 0.263 nan 8.370 nan 0.000 0.459 481 L N 3.185 124.382 121.223 -0.043 0.000 2.593 481 L HA -0.163 4.177 4.340 -0.001 0.000 0.287 481 L C 1.012 177.854 176.870 -0.047 0.000 1.243 481 L CA 0.300 55.119 54.840 -0.035 0.000 0.890 481 L CB -0.044 42.004 42.059 -0.019 0.000 1.134 481 L HN 0.456 nan 8.230 nan 0.000 0.502 482 N N 0.001 118.666 118.700 -0.058 0.000 2.782 482 N HA -0.196 4.544 4.740 -0.001 0.000 0.251 482 N C 0.884 176.349 175.510 -0.075 0.000 1.101 482 N CA 1.319 54.333 53.050 -0.060 0.000 0.764 482 N CB -1.278 37.188 38.487 -0.034 0.000 1.122 482 N HN 0.947 nan 8.380 nan 0.000 0.561 483 T N -4.926 109.565 114.554 -0.104 0.000 3.000 483 T HA 0.202 4.552 4.350 -0.001 0.000 0.248 483 T C -1.192 173.396 174.700 -0.186 0.000 1.034 483 T CA 0.189 62.225 62.100 -0.107 0.000 1.060 483 T CB 0.044 68.866 68.868 -0.076 0.000 0.983 483 T HN -0.069 nan 8.240 nan 0.000 0.482 484 P HA 0.020 nan 4.420 nan 0.000 0.216 484 P C 1.750 178.708 177.300 -0.569 0.000 1.150 484 P CA 1.492 64.137 63.100 -0.759 0.000 0.843 484 P CB -0.640 30.247 31.700 -1.356 0.000 0.787 485 G N -1.046 107.548 108.800 -0.345 0.000 2.776 485 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.209 485 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.209 485 G C 1.377 176.212 174.900 -0.109 0.000 1.145 485 G CA 0.166 45.157 45.100 -0.182 0.000 0.791 485 G HN 0.283 nan 8.290 nan 0.000 0.530 486 R N -0.672 119.761 120.500 -0.112 0.000 2.476 486 R HA 0.338 4.678 4.340 -0.001 0.000 0.276 486 R C 0.859 177.126 176.300 -0.055 0.000 0.941 486 R CA 0.264 56.346 56.100 -0.029 0.000 1.088 486 R CB 0.922 31.233 30.300 0.018 0.000 1.216 486 R HN 0.173 nan 8.270 nan 0.000 0.533 487 A N 0.641 123.367 122.820 -0.156 0.000 3.219 487 A HA 0.217 4.536 4.320 -0.001 0.000 0.314 487 A C 0.715 178.092 177.584 -0.345 0.000 1.081 487 A CA -0.382 51.570 52.037 -0.143 0.000 0.995 487 A CB 0.004 19.026 19.000 0.037 0.000 1.067 487 A HN 0.013 nan 8.150 nan 0.000 0.533 488 T N -0.242 113.723 114.554 -0.981 0.000 2.881 488 T HA -0.112 4.238 4.350 -0.001 0.000 0.270 488 T C 2.081 176.243 174.700 -0.897 0.000 1.068 488 T CA 1.869 63.347 62.100 -1.038 0.000 1.131 488 T CB -0.041 67.915 68.868 -1.520 0.000 0.871 488 T HN 0.664 nan 8.240 nan 0.000 0.479 489 G N 1.195 109.477 108.800 -0.862 0.000 2.450 489 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.220 489 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.220 489 G C 1.678 176.627 174.900 0.083 0.000 1.130 489 G CA 0.706 45.755 45.100 -0.084 0.000 0.760 489 G HN 0.596 nan 8.290 nan 0.000 0.557 490 A N 0.550 123.398 122.820 0.045 0.000 2.216 490 A HA 0.175 4.494 4.320 -0.001 0.000 0.214 490 A C 2.442 180.085 177.584 0.099 0.000 1.160 490 A CA 1.517 53.648 52.037 0.157 0.000 0.725 490 A CB -0.425 18.688 19.000 0.189 0.000 0.784 490 A HN 0.899 nan 8.150 nan 0.000 0.472 491 V N -1.471 118.414 119.914 -0.049 0.000 3.380 491 V HA -0.119 4.000 4.120 -0.001 0.000 0.268 491 V C 2.165 178.264 176.094 0.008 0.000 1.168 491 V CA 1.707 64.016 62.300 0.015 0.000 1.156 491 V CB -1.346 30.429 31.823 -0.081 0.000 0.785 491 V HN 0.643 nan 8.190 nan 0.000 0.487 492 S N 0.635 116.326 115.700 -0.015 0.000 2.372 492 S HA -0.342 4.127 4.470 -0.001 0.000 0.227 492 S C 1.841 176.351 174.600 -0.150 0.000 1.044 492 S CA 2.166 60.269 58.200 -0.161 0.000 1.050 492 S CB -1.271 61.831 63.200 -0.165 0.000 0.901 492 S HN 0.645 nan 8.310 nan 0.000 0.447 493 Y N 3.022 123.379 120.300 0.095 0.000 2.224 493 Y HA -0.065 4.485 4.550 -0.001 0.000 0.289 493 Y C 3.279 179.246 175.900 0.112 0.000 1.146 493 Y CA 1.496 59.685 58.100 0.148 0.000 1.182 493 Y CB -0.898 37.659 38.460 0.162 0.000 0.983 493 Y HN 0.644 nan 8.280 nan 0.000 0.524 494 T N -3.767 110.844 114.554 0.096 0.000 3.033 494 T HA -0.075 4.274 4.350 -0.001 0.000 0.248 494 T C 1.801 176.485 174.700 -0.027 0.000 1.040 494 T CA 0.747 62.837 62.100 -0.015 0.000 1.133 494 T CB -0.484 68.148 68.868 -0.394 0.000 0.895 494 T HN 0.200 nan 8.240 nan 0.000 0.465 495 M N 1.465 121.011 119.600 -0.089 0.000 2.213 495 M HA 0.175 4.655 4.480 -0.001 0.000 0.263 495 M C 1.936 178.121 176.300 -0.191 0.000 1.062 495 M CA 1.054 56.279 55.300 -0.125 0.000 1.105 495 M CB -0.836 31.686 32.600 -0.130 0.000 1.385 495 M HN 0.267 nan 8.290 nan 0.000 0.417 496 L N -0.404 120.644 121.223 -0.292 0.000 2.081 496 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 496 L C 1.416 177.911 176.870 -0.626 0.000 1.080 496 L CA 2.004 56.540 54.840 -0.507 0.000 0.754 496 L CB -0.830 40.822 42.059 -0.678 0.000 0.893 496 L HN 0.475 nan 8.230 nan 0.000 0.433 497 Y N -1.214 119.033 120.300 -0.089 0.000 2.511 497 Y HA 0.093 4.642 4.550 -0.001 0.000 0.279 497 Y C 2.081 177.923 175.900 -0.097 0.000 1.157 497 Y CA 0.553 58.584 58.100 -0.114 0.000 1.300 497 Y CB -0.703 37.749 38.460 -0.013 0.000 1.052 497 Y HN 0.333 nan 8.280 nan 0.000 0.529 498 N N -0.877 117.808 118.700 -0.025 0.000 2.173 498 N HA -0.161 4.578 4.740 -0.001 0.000 0.184 498 N C 1.916 177.381 175.510 -0.075 0.000 1.025 498 N CA 1.309 54.333 53.050 -0.045 0.000 0.852 498 N CB -0.578 37.871 38.487 -0.064 0.000 0.998 498 N HN 0.310 nan 8.380 nan 0.000 0.427 499 C N 0.746 119.972 119.300 -0.123 0.000 2.413 499 C HA -0.020 4.440 4.460 -0.001 0.000 0.276 499 C C 2.167 177.101 174.990 -0.094 0.000 1.236 499 C CA 0.773 59.718 59.018 -0.122 0.000 1.735 499 C CB -1.192 26.442 27.740 -0.176 0.000 2.031 499 C HN 0.423 nan 8.230 nan 0.000 0.474 500 L N 0.306 121.423 121.223 -0.176 0.000 2.478 500 L HA 0.064 4.404 4.340 -0.001 0.000 0.223 500 L C 0.819 177.642 176.870 -0.078 0.000 1.140 500 L CA 1.057 55.735 54.840 -0.269 0.000 0.842 500 L CB -0.595 40.946 42.059 -0.864 0.000 0.953 500 L HN 0.387 nan 8.230 nan 0.000 0.452 501 D N 0.590 120.982 120.400 -0.014 0.000 2.803 501 D HA -0.267 4.372 4.640 -0.001 0.000 0.233 501 D C -0.541 175.903 176.300 0.240 0.000 1.182 501 D CA 0.717 54.750 54.000 0.055 0.000 0.726 501 D CB -1.107 39.690 40.800 -0.005 0.000 0.987 501 D HN 0.173 nan 8.370 nan 0.000 0.412 502 F N 0.236 120.167 119.950 -0.032 0.000 2.480 502 F HA 0.444 4.971 4.527 -0.001 0.000 0.329 502 F C -1.458 174.299 175.800 -0.071 0.000 1.091 502 F CA -2.555 55.400 58.000 -0.075 0.000 0.972 502 F CB 1.999 41.013 39.000 0.025 0.000 1.150 502 F HN -0.112 nan 8.300 nan 0.000 0.467 503 P HA 0.132 nan 4.420 nan 0.000 0.268 503 P C -1.287 176.035 177.300 0.036 0.000 1.204 503 P CA 0.059 63.167 63.100 0.013 0.000 0.768 503 P CB 1.073 32.758 31.700 -0.024 0.000 0.842 504 A N 2.668 125.498 122.820 0.016 0.000 2.459 504 A HA 0.752 5.071 4.320 -0.001 0.000 0.296 504 A C -0.360 177.211 177.584 -0.021 0.000 1.039 504 A CA -0.407 51.615 52.037 -0.024 0.000 0.698 504 A CB 1.710 20.678 19.000 -0.053 0.000 1.261 504 A HN 0.589 nan 8.150 nan 0.000 0.405 505 G N -0.263 108.522 108.800 -0.026 0.000 2.658 505 G HA2 0.835 4.795 3.960 -0.001 0.000 0.292 505 G HA3 0.835 4.795 3.960 -0.001 0.000 0.292 505 G C -0.758 174.107 174.900 -0.059 0.000 1.320 505 G CA -0.064 45.016 45.100 -0.033 0.000 0.933 505 G HN 2.011 nan 8.290 nan 0.000 0.476 506 V N -2.232 117.645 119.914 -0.062 0.000 2.876 506 V HA 0.890 5.009 4.120 -0.001 0.000 0.312 506 V C -0.881 175.177 176.094 -0.061 0.000 1.085 506 V CA -1.018 61.239 62.300 -0.072 0.000 0.945 506 V CB 1.565 33.343 31.823 -0.074 0.000 1.017 506 V HN 0.689 nan 8.190 nan 0.000 0.428 507 V N 3.854 123.724 119.914 -0.074 0.000 2.638 507 V HA 0.532 4.651 4.120 -0.001 0.000 0.306 507 V C -2.645 173.416 176.094 -0.056 0.000 1.052 507 V CA -1.831 60.431 62.300 -0.064 0.000 0.885 507 V CB 2.214 33.978 31.823 -0.099 0.000 0.999 507 V HN 0.880 nan 8.190 nan 0.000 0.424 508 P HA 0.184 nan 4.420 nan 0.000 0.271 508 P C 0.477 177.751 177.300 -0.043 0.000 1.220 508 P CA 0.149 63.228 63.100 -0.036 0.000 0.768 508 P CB 1.025 32.718 31.700 -0.012 0.000 0.848 509 V N 0.093 119.974 119.914 -0.054 0.000 3.539 509 V HA 0.331 4.451 4.120 -0.001 0.000 0.262 509 V C 0.515 176.581 176.094 -0.046 0.000 1.381 509 V CA 0.673 62.943 62.300 -0.051 0.000 1.060 509 V CB 0.385 32.170 31.823 -0.062 0.000 0.842 509 V HN 0.564 nan 8.190 nan 0.000 0.445 510 T N 0.626 115.145 114.554 -0.059 0.000 2.665 510 T HA 0.618 4.968 4.350 -0.001 0.000 0.303 510 T C -0.968 173.676 174.700 -0.092 0.000 1.334 510 T CA 0.557 62.622 62.100 -0.059 0.000 1.011 510 T CB 1.797 70.635 68.868 -0.050 0.000 1.573 510 T HN 0.822 nan 8.240 nan 0.000 0.492 511 T N -0.677 113.825 114.554 -0.087 0.000 2.907 511 T HA 0.689 5.038 4.350 -0.001 0.000 0.292 511 T C -0.463 174.183 174.700 -0.091 0.000 1.043 511 T CA -0.695 61.331 62.100 -0.124 0.000 1.003 511 T CB 1.145 69.942 68.868 -0.117 0.000 1.084 511 T HN 0.498 nan 8.240 nan 0.000 0.483 512 V N 3.641 123.492 119.914 -0.106 0.000 2.540 512 V HA 0.304 4.423 4.120 -0.001 0.000 0.297 512 V C 1.404 177.469 176.094 -0.048 0.000 1.024 512 V CA 0.059 62.314 62.300 -0.075 0.000 1.105 512 V CB 0.027 31.797 31.823 -0.088 0.000 0.938 512 V HN 1.199 nan 8.190 nan 0.000 0.482 513 T N 2.467 117.001 114.554 -0.033 0.000 2.902 513 T HA 0.589 4.938 4.350 -0.001 0.000 0.280 513 T C 1.340 176.031 174.700 -0.016 0.000 0.992 513 T CA -0.139 61.949 62.100 -0.019 0.000 1.015 513 T CB 1.709 70.569 68.868 -0.013 0.000 1.044 513 T HN 0.711 nan 8.240 nan 0.000 0.520 514 A N 0.196 123.011 122.820 -0.009 0.000 1.917 514 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 514 A C 2.264 179.845 177.584 -0.006 0.000 1.182 514 A CA 2.197 54.230 52.037 -0.007 0.000 0.633 514 A CB -1.206 17.792 19.000 -0.002 0.000 0.819 514 A HN 1.050 nan 8.150 nan 0.000 0.448 515 E N -0.304 119.894 120.200 -0.004 0.000 2.047 515 E HA -0.222 4.128 4.350 -0.001 0.000 0.191 515 E C 1.379 177.980 176.600 0.001 0.000 0.987 515 E CA 1.275 57.675 56.400 0.000 0.000 0.799 515 E CB -0.141 29.561 29.700 0.002 0.000 0.752 515 E HN 0.551 nan 8.360 nan 0.000 0.449 516 D N 0.595 120.992 120.400 -0.004 0.000 2.116 516 D HA -0.194 4.445 4.640 -0.001 0.000 0.193 516 D C 1.625 177.921 176.300 -0.006 0.000 0.998 516 D CA 1.575 55.573 54.000 -0.004 0.000 0.836 516 D CB -0.457 40.333 40.800 -0.017 0.000 0.951 516 D HN 0.259 nan 8.370 nan 0.000 0.449 517 D N -0.146 120.244 120.400 -0.017 0.000 2.117 517 D HA -0.026 4.614 4.640 -0.001 0.000 0.198 517 D C 1.955 178.247 176.300 -0.012 0.000 0.982 517 D CA 1.358 55.344 54.000 -0.023 0.000 0.828 517 D CB -0.031 40.751 40.800 -0.029 0.000 0.967 517 D HN 0.107 nan 8.370 nan 0.000 0.464 518 A N 0.096 122.913 122.820 -0.004 0.000 1.902 518 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 518 A C 2.071 179.661 177.584 0.011 0.000 1.181 518 A CA 1.345 53.383 52.037 0.002 0.000 0.623 518 A CB -0.653 18.349 19.000 0.003 0.000 0.818 518 A HN 0.293 nan 8.150 nan 0.000 0.443 519 Q N -1.179 118.631 119.800 0.017 0.000 2.437 519 Q HA -0.022 4.318 4.340 -0.001 0.000 0.210 519 Q C 1.732 177.765 176.000 0.055 0.000 0.972 519 Q CA 0.578 56.400 55.803 0.032 0.000 0.903 519 Q CB -0.141 28.617 28.738 0.033 0.000 0.967 519 Q HN 0.537 nan 8.270 nan 0.000 0.486 520 M N 0.304 119.930 119.600 0.042 0.000 2.374 520 M HA -0.122 4.358 4.480 -0.001 0.000 0.264 520 M C 1.334 177.674 176.300 0.067 0.000 1.067 520 M CA 1.176 56.507 55.300 0.052 0.000 1.103 520 M CB -0.279 32.304 32.600 -0.028 0.000 1.402 520 M HN 0.161 nan 8.290 nan 0.000 0.444 521 E N 0.117 120.344 120.200 0.044 0.000 2.338 521 E HA -0.065 4.285 4.350 -0.001 0.000 0.197 521 E C 1.833 178.469 176.600 0.060 0.000 1.007 521 E CA 0.836 57.261 56.400 0.042 0.000 0.849 521 E CB -0.154 29.560 29.700 0.024 0.000 0.774 521 E HN 0.520 nan 8.360 nan 0.000 0.506 522 L N -0.298 120.968 121.223 0.071 0.000 2.607 522 L HA 0.118 4.458 4.340 -0.001 0.000 0.228 522 L C 0.670 177.585 176.870 0.075 0.000 1.123 522 L CA -0.409 54.466 54.840 0.058 0.000 0.890 522 L CB -0.071 42.009 42.059 0.035 0.000 1.103 522 L HN 0.008 nan 8.230 nan 0.000 0.468 523 Y N 1.815 122.104 120.300 -0.018 0.000 2.620 523 Y HA -0.108 4.442 4.550 -0.001 0.000 0.330 523 Y C 1.210 177.091 175.900 -0.032 0.000 1.186 523 Y CA 0.844 58.925 58.100 -0.030 0.000 1.467 523 Y CB 0.491 38.938 38.460 -0.021 0.000 1.262 523 Y HN -0.040 nan 8.280 nan 0.000 0.550 524 K N 3.684 123.939 120.400 -0.242 0.000 2.362 524 K HA 0.356 4.676 4.320 -0.001 0.000 0.203 524 K C 0.320 176.806 176.600 -0.190 0.000 1.198 524 K CA 0.449 56.660 56.287 -0.126 0.000 0.908 524 K CB 0.543 32.966 32.500 -0.129 0.000 1.236 524 K HN 0.931 nan 8.250 nan 0.000 0.487 525 G N 0.705 109.168 108.800 -0.561 0.000 2.719 525 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.686 525 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.686 525 G C -0.236 174.458 174.900 -0.342 0.000 1.201 525 G CA -0.563 44.281 45.100 -0.426 0.000 0.768 525 G HN 0.142 nan 8.290 nan 0.000 0.629 526 Y N 0.322 120.527 120.300 -0.158 0.000 2.439 526 Y HA 0.258 4.807 4.550 -0.001 0.000 0.292 526 Y C 2.418 178.007 175.900 -0.518 0.000 1.130 526 Y CA 1.644 59.510 58.100 -0.391 0.000 1.254 526 Y CB -0.133 37.967 38.460 -0.601 0.000 1.000 526 Y HN 0.508 nan 8.280 nan 0.000 0.554 527 F N -2.046 117.947 119.950 0.071 0.000 2.553 527 F HA 0.355 4.882 4.527 -0.001 0.000 0.282 527 F C 2.052 177.885 175.800 0.056 0.000 1.089 527 F CA 0.573 58.596 58.000 0.039 0.000 1.411 527 F CB -0.035 38.963 39.000 -0.003 0.000 1.125 527 F HN -0.061 nan 8.300 nan 0.000 0.610 528 G N 1.317 110.257 108.800 0.233 0.000 2.153 528 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.252 528 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.252 528 G C -0.364 174.674 174.900 0.229 0.000 0.994 528 G CA 0.417 45.627 45.100 0.183 0.000 0.698 528 G HN 0.446 nan 8.290 nan 0.000 0.521 529 D N -0.828 119.699 120.400 0.212 0.000 2.423 529 D HA 0.516 5.156 4.640 -0.001 0.000 0.255 529 D C 1.486 177.749 176.300 -0.062 0.000 1.174 529 D CA -0.784 53.235 54.000 0.032 0.000 1.008 529 D CB 0.403 41.126 40.800 -0.128 0.000 1.101 529 D HN 0.114 nan 8.370 nan 0.000 0.516 530 I N -0.298 120.126 120.570 -0.245 0.000 2.236 530 I HA -0.236 3.934 4.170 -0.001 0.000 0.249 530 I C 1.311 177.488 176.117 0.100 0.000 1.102 530 I CA 1.400 62.634 61.300 -0.110 0.000 1.365 530 I CB -0.277 37.613 38.000 -0.183 0.000 1.051 530 I HN 0.442 nan 8.210 nan 0.000 0.420 531 W N 0.681 121.950 121.300 -0.053 0.000 2.358 531 W HA -0.161 4.499 4.660 -0.000 0.000 0.303 531 W C 2.459 179.009 176.519 0.052 0.000 1.208 531 W CA 1.008 58.344 57.345 -0.015 0.000 1.274 531 W CB -1.638 27.795 29.460 -0.046 0.000 1.138 531 W HN 0.184 nan 8.180 nan 0.000 0.515 532 D N -0.019 120.564 120.400 0.305 0.000 2.117 532 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 532 D C 2.258 178.690 176.300 0.219 0.000 0.987 532 D CA 1.365 55.536 54.000 0.285 0.000 0.829 532 D CB -0.535 40.422 40.800 0.262 0.000 0.961 532 D HN 0.125 nan 8.370 nan 0.000 0.460 533 I N 0.669 121.332 120.570 0.156 0.000 2.252 533 I HA -0.204 3.966 4.170 -0.001 0.000 0.245 533 I C 2.245 178.407 176.117 0.074 0.000 1.102 533 I CA 0.462 61.825 61.300 0.105 0.000 1.385 533 I CB 0.023 38.065 38.000 0.069 0.000 1.064 533 I HN -0.006 nan 8.210 nan 0.000 0.414 534 I N 0.189 120.811 120.570 0.087 0.000 2.252 534 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 534 I C 2.542 178.673 176.117 0.024 0.000 1.102 534 I CA 1.457 62.790 61.300 0.055 0.000 1.385 534 I CB -0.823 37.221 38.000 0.074 0.000 1.064 534 I HN 0.248 nan 8.210 nan 0.000 0.414 535 L N 1.228 122.481 121.223 0.050 0.000 2.046 535 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 535 L C 2.598 179.374 176.870 -0.157 0.000 1.077 535 L CA 1.893 56.728 54.840 -0.009 0.000 0.747 535 L CB -0.683 41.418 42.059 0.070 0.000 0.896 535 L HN 0.127 nan 8.230 nan 0.000 0.432 536 K N -0.434 119.867 120.400 -0.164 0.000 2.009 536 K HA -0.277 4.042 4.320 -0.001 0.000 0.210 536 K C 2.343 178.842 176.600 -0.168 0.000 1.049 536 K CA 1.965 58.084 56.287 -0.282 0.000 0.929 536 K CB -0.174 32.297 32.500 -0.049 0.000 0.714 536 K HN 0.280 nan 8.250 nan 0.000 0.440 537 K N 0.005 120.357 120.400 -0.080 0.000 2.057 537 K HA -0.106 4.213 4.320 -0.001 0.000 0.206 537 K C 1.988 178.541 176.600 -0.079 0.000 1.050 537 K CA 1.189 57.439 56.287 -0.061 0.000 0.935 537 K CB -0.194 32.288 32.500 -0.029 0.000 0.715 537 K HN 0.237 nan 8.250 nan 0.000 0.439 538 A N 0.932 123.703 122.820 -0.082 0.000 1.978 538 A HA -0.164 4.156 4.320 -0.001 0.000 0.220 538 A C 1.978 179.487 177.584 -0.125 0.000 1.170 538 A CA 1.692 53.675 52.037 -0.090 0.000 0.636 538 A CB -0.389 18.567 19.000 -0.073 0.000 0.810 538 A HN 0.378 nan 8.150 nan 0.000 0.448 539 M N -0.912 118.594 119.600 -0.157 0.000 2.502 539 M HA 0.072 4.552 4.480 -0.001 0.000 0.243 539 M C 0.369 176.581 176.300 -0.147 0.000 1.130 539 M CA 0.276 55.470 55.300 -0.177 0.000 1.055 539 M CB 0.083 32.551 32.600 -0.219 0.000 1.457 539 M HN 0.198 nan 8.290 nan 0.000 0.488 540 K N 1.119 121.447 120.400 -0.120 0.000 2.187 540 K HA 0.087 4.407 4.320 -0.001 0.000 0.247 540 K C 0.031 176.587 176.600 -0.074 0.000 1.019 540 K CA 0.033 56.268 56.287 -0.087 0.000 0.893 540 K CB 0.141 32.601 32.500 -0.066 0.000 1.025 540 K HN 0.168 nan 8.250 nan 0.000 0.500 541 N N -0.073 118.594 118.700 -0.055 0.000 2.714 541 N HA -0.169 4.570 4.740 -0.001 0.000 0.253 541 N C -0.930 174.549 175.510 -0.052 0.000 1.024 541 N CA 0.505 53.529 53.050 -0.044 0.000 0.726 541 N CB -0.827 37.639 38.487 -0.035 0.000 0.908 541 N HN 0.335 nan 8.380 nan 0.000 0.542 542 S N -1.057 114.605 115.700 -0.062 0.000 2.846 542 S HA 0.163 4.633 4.470 -0.001 0.000 0.249 542 S C 0.423 174.982 174.600 -0.069 0.000 1.028 542 S CA -0.501 57.651 58.200 -0.080 0.000 1.043 542 S CB 0.957 64.086 63.200 -0.118 0.000 0.990 542 S HN 0.248 nan 8.310 nan 0.000 0.564 543 V N 2.302 122.190 119.914 -0.043 0.000 2.644 543 V HA 0.264 4.383 4.120 -0.001 0.000 0.305 543 V C 1.574 177.656 176.094 -0.020 0.000 1.053 543 V CA 1.526 63.808 62.300 -0.030 0.000 1.186 543 V CB -0.094 31.722 31.823 -0.012 0.000 0.895 543 V HN 0.712 nan 8.190 nan 0.000 0.490 544 G N 3.643 112.425 108.800 -0.030 0.000 2.225 544 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.254 544 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.254 544 G C 0.127 174.954 174.900 -0.121 0.000 0.988 544 G CA 0.146 45.240 45.100 -0.011 0.000 0.625 544 G HN 0.565 nan 8.290 nan 0.000 0.527 545 L N 2.410 123.518 121.223 -0.193 0.000 2.436 545 L HA 0.398 4.738 4.340 -0.001 0.000 0.265 545 L C -1.478 175.107 176.870 -0.475 0.000 1.168 545 L CA -1.862 52.738 54.840 -0.400 0.000 0.815 545 L CB 0.678 42.568 42.059 -0.283 0.000 1.109 545 L HN 0.012 nan 8.230 nan 0.000 0.462 546 P HA 0.233 nan 4.420 nan 0.000 0.277 546 P C -1.036 176.112 177.300 -0.253 0.000 1.240 546 P CA -0.271 62.541 63.100 -0.479 0.000 0.798 546 P CB 1.693 33.048 31.700 -0.574 0.000 0.979 547 V N 1.175 120.992 119.914 -0.162 0.000 2.760 547 V HA 0.686 4.806 4.120 -0.001 0.000 0.309 547 V C 0.143 176.196 176.094 -0.068 0.000 1.077 547 V CA -0.769 61.476 62.300 -0.091 0.000 0.910 547 V CB 1.774 33.546 31.823 -0.085 0.000 1.008 547 V HN 0.809 nan 8.190 nan 0.000 0.424 548 A N 3.312 126.107 122.820 -0.043 0.000 2.313 548 A HA 1.007 5.327 4.320 -0.001 0.000 0.323 548 A C -0.424 177.119 177.584 -0.069 0.000 1.133 548 A CA -0.513 51.494 52.037 -0.051 0.000 0.847 548 A CB 1.963 20.943 19.000 -0.034 0.000 1.308 548 A HN 1.517 nan 8.150 nan 0.000 0.475 549 V N -1.702 118.161 119.914 -0.085 0.000 3.019 549 V HA 0.748 4.868 4.120 -0.001 0.000 0.317 549 V C -0.400 175.632 176.094 -0.103 0.000 1.094 549 V CA -0.730 61.509 62.300 -0.100 0.000 1.000 549 V CB 1.373 33.132 31.823 -0.107 0.000 1.060 549 V HN 1.011 nan 8.190 nan 0.000 0.443 550 Q N 0.356 120.098 119.800 -0.097 0.000 2.309 550 Q HA 0.614 4.954 4.340 -0.001 0.000 0.264 550 Q C -1.574 174.389 176.000 -0.061 0.000 1.008 550 Q CA -0.547 55.206 55.803 -0.083 0.000 0.853 550 Q CB 1.895 30.598 28.738 -0.060 0.000 1.314 550 Q HN 0.992 nan 8.270 nan 0.000 0.448 551 C N 3.126 122.398 119.300 -0.046 0.000 2.408 551 C HA 0.772 5.232 4.460 -0.001 0.000 0.321 551 C C -0.658 174.389 174.990 0.096 0.000 1.245 551 C CA -0.658 58.411 59.018 0.085 0.000 1.523 551 C CB 0.896 28.604 27.740 -0.054 0.000 2.178 551 C HN 0.629 nan 8.230 nan 0.000 0.488 552 V N 2.464 122.476 119.914 0.164 0.000 2.789 552 V HA 0.920 5.039 4.120 -0.001 0.000 0.311 552 V C 0.154 176.408 176.094 0.267 0.000 1.073 552 V CA -0.194 62.169 62.300 0.105 0.000 0.921 552 V CB 1.719 33.500 31.823 -0.069 0.000 1.009 552 V HN 1.120 nan 8.190 nan 0.000 0.426 553 A N 3.507 126.419 122.820 0.154 0.000 2.437 553 A HA 0.933 5.252 4.320 -0.001 0.000 0.288 553 A C -0.715 176.622 177.584 -0.412 0.000 1.201 553 A CA -0.814 51.257 52.037 0.056 0.000 0.795 553 A CB 1.131 20.147 19.000 0.026 0.000 1.359 553 A HN 0.739 nan 8.150 nan 0.000 0.435 554 L N 0.461 121.269 121.223 -0.693 0.000 2.475 554 L HA 0.271 4.610 4.340 -0.001 0.000 0.250 554 L C -2.020 174.415 176.870 -0.724 0.000 1.224 554 L CA -1.679 52.464 54.840 -1.162 0.000 0.821 554 L CB 0.150 41.632 42.059 -0.961 0.000 1.141 554 L HN 0.386 nan 8.230 nan 0.000 0.494 555 P HA -0.108 nan 4.420 nan 0.000 0.265 555 P C -0.895 176.250 177.300 -0.259 0.000 1.187 555 P CA 0.389 63.186 63.100 -0.506 0.000 0.766 555 P CB 0.109 31.550 31.700 -0.431 0.000 0.820 556 W N 0.057 121.294 121.300 -0.105 0.000 3.160 556 W HA -0.197 4.463 4.660 -0.001 0.000 0.299 556 W C 0.636 177.106 176.519 -0.082 0.000 1.141 556 W CA 0.204 57.505 57.345 -0.074 0.000 0.612 556 W CB -2.540 26.875 29.460 -0.076 0.000 2.186 556 W HN 0.389 nan 8.180 nan 0.000 1.364 557 Q N 0.087 119.901 119.800 0.023 0.000 2.302 557 Q HA 0.168 4.507 4.340 -0.001 0.000 0.332 557 Q C 1.416 177.422 176.000 0.011 0.000 0.913 557 Q CA 0.057 55.859 55.803 -0.000 0.000 1.098 557 Q CB 0.204 28.899 28.738 -0.071 0.000 1.236 557 Q HN 0.168 nan 8.270 nan 0.000 0.436 558 E N -0.048 120.175 120.200 0.038 0.000 2.118 558 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 558 E C 0.995 177.640 176.600 0.075 0.000 0.992 558 E CA 1.359 57.797 56.400 0.064 0.000 0.804 558 E CB 0.256 30.020 29.700 0.106 0.000 0.741 558 E HN 0.414 nan 8.360 nan 0.000 0.458 559 E N -0.110 120.087 120.200 -0.004 0.000 2.072 559 E HA -0.124 4.226 4.350 -0.001 0.000 0.191 559 E C 1.819 178.483 176.600 0.107 0.000 0.985 559 E CA 0.524 56.900 56.400 -0.042 0.000 0.801 559 E CB -0.186 29.349 29.700 -0.275 0.000 0.750 559 E HN 0.109 nan 8.360 nan 0.000 0.452 560 L N 0.507 121.768 121.223 0.064 0.000 2.083 560 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 560 L C 2.197 179.157 176.870 0.150 0.000 1.083 560 L CA 1.550 56.441 54.840 0.085 0.000 0.752 560 L CB -0.808 41.274 42.059 0.038 0.000 0.899 560 L HN 0.317 nan 8.230 nan 0.000 0.433 561 C N -0.766 118.619 119.300 0.143 0.000 2.413 561 C HA -0.178 4.282 4.460 -0.001 0.000 0.276 561 C C 2.780 177.899 174.990 0.216 0.000 1.236 561 C CA 1.173 60.304 59.018 0.187 0.000 1.735 561 C CB -1.033 26.780 27.740 0.121 0.000 2.031 561 C HN 0.604 nan 8.230 nan 0.000 0.474 562 L N 0.662 122.022 121.223 0.228 0.000 2.056 562 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 562 L C 2.787 179.892 176.870 0.392 0.000 1.078 562 L CA 1.895 56.913 54.840 0.296 0.000 0.749 562 L CB -0.791 41.446 42.059 0.298 0.000 0.901 562 L HN 0.414 nan 8.230 nan 0.000 0.433 563 R N 0.521 121.249 120.500 0.381 0.000 2.112 563 R HA -0.298 4.042 4.340 -0.001 0.000 0.242 563 R C 2.309 178.699 176.300 0.149 0.000 1.137 563 R CA 2.333 58.520 56.100 0.145 0.000 0.944 563 R CB -1.009 29.344 30.300 0.088 0.000 0.857 563 R HN 0.324 nan 8.270 nan 0.000 0.435 564 F N 0.509 120.466 119.950 0.011 0.000 2.146 564 F HA -0.122 4.405 4.527 -0.001 0.000 0.298 564 F C 2.143 177.931 175.800 -0.019 0.000 1.096 564 F CA 1.590 59.564 58.000 -0.043 0.000 1.275 564 F CB -0.039 38.932 39.000 -0.049 0.000 1.008 564 F HN 0.054 nan 8.300 nan 0.000 0.480 565 M N 0.094 119.610 119.600 -0.140 0.000 2.108 565 M HA -0.243 4.236 4.480 -0.001 0.000 0.261 565 M C 2.345 178.583 176.300 -0.103 0.000 1.066 565 M CA 1.912 57.090 55.300 -0.203 0.000 1.107 565 M CB -0.590 31.978 32.600 -0.053 0.000 1.356 565 M HN 0.148 nan 8.290 nan 0.000 0.406 566 R N 0.567 121.076 120.500 0.016 0.000 2.091 566 R HA -0.227 4.112 4.340 -0.001 0.000 0.238 566 R C 1.968 178.256 176.300 -0.019 0.000 1.136 566 R CA 2.054 58.171 56.100 0.030 0.000 0.959 566 R CB -0.150 30.173 30.300 0.039 0.000 0.856 566 R HN 0.243 nan 8.270 nan 0.000 0.437 567 E N -0.142 120.041 120.200 -0.028 0.000 2.051 567 E HA -0.132 4.218 4.350 -0.001 0.000 0.192 567 E C 1.869 178.438 176.600 -0.051 0.000 0.991 567 E CA 1.625 58.024 56.400 -0.002 0.000 0.799 567 E CB -0.059 29.678 29.700 0.061 0.000 0.748 567 E HN 0.211 nan 8.360 nan 0.000 0.449 568 V N 0.892 120.700 119.914 -0.177 0.000 2.295 568 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 568 V C 2.418 178.450 176.094 -0.103 0.000 1.049 568 V CA 2.257 64.444 62.300 -0.190 0.000 1.024 568 V CB -0.638 30.977 31.823 -0.347 0.000 0.648 568 V HN 0.397 nan 8.190 nan 0.000 0.447 569 E N -0.377 119.770 120.200 -0.088 0.000 2.070 569 E HA -0.320 4.030 4.350 -0.001 0.000 0.197 569 E C 2.384 178.973 176.600 -0.019 0.000 1.004 569 E CA 1.710 58.085 56.400 -0.041 0.000 0.805 569 E CB -0.170 29.519 29.700 -0.018 0.000 0.744 569 E HN 0.503 nan 8.360 nan 0.000 0.451 570 Q N 0.343 120.136 119.800 -0.011 0.000 2.084 570 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 570 Q C 2.363 178.365 176.000 0.003 0.000 0.978 570 Q CA 1.257 57.062 55.803 0.003 0.000 0.844 570 Q CB -0.139 28.605 28.738 0.010 0.000 0.898 570 Q HN 0.402 nan 8.270 nan 0.000 0.426 571 L N -0.533 120.690 121.223 0.000 0.000 2.179 571 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 571 L C 2.179 179.046 176.870 -0.006 0.000 1.096 571 L CA 0.573 55.415 54.840 0.004 0.000 0.779 571 L CB -0.163 41.904 42.059 0.015 0.000 0.922 571 L HN 0.183 nan 8.230 nan 0.000 0.443 572 M N -1.264 118.326 119.600 -0.017 0.000 2.414 572 M HA 0.136 4.615 4.480 -0.001 0.000 0.251 572 M C 0.610 176.903 176.300 -0.011 0.000 1.116 572 M CA 0.620 55.908 55.300 -0.020 0.000 1.056 572 M CB -0.091 32.488 32.600 -0.036 0.000 1.388 572 M HN 0.265 nan 8.290 nan 0.000 0.487 573 T N -2.909 111.642 114.554 -0.005 0.000 3.999 573 T HA 0.304 4.653 4.350 -0.001 0.000 0.222 573 T C -2.563 172.144 174.700 0.010 0.000 0.996 573 T CA -0.842 61.261 62.100 0.005 0.000 1.598 573 T CB 0.675 69.548 68.868 0.009 0.000 0.762 573 T HN -0.121 nan 8.240 nan 0.000 0.632 574 P HA -0.069 nan 4.420 nan 0.000 0.221 574 P C 1.603 178.913 177.300 0.017 0.000 1.145 574 P CA 0.897 64.004 63.100 0.012 0.000 0.795 574 P CB 0.098 31.804 31.700 0.010 0.000 0.775 575 Q N -0.264 119.547 119.800 0.019 0.000 2.500 575 Q HA -0.060 4.280 4.340 -0.001 0.000 0.213 575 Q C 1.655 177.671 176.000 0.027 0.000 0.974 575 Q CA 0.889 56.706 55.803 0.023 0.000 0.918 575 Q CB -0.396 28.356 28.738 0.024 0.000 0.980 575 Q HN 0.432 nan 8.270 nan 0.000 0.505 576 K N 0.360 120.777 120.400 0.028 0.000 2.228 576 K HA -0.014 4.305 4.320 -0.001 0.000 0.202 576 K C 0.844 177.464 176.600 0.033 0.000 1.051 576 K CA 0.655 56.961 56.287 0.033 0.000 0.960 576 K CB 0.339 32.859 32.500 0.033 0.000 0.743 576 K HN 0.374 nan 8.250 nan 0.000 0.458 577 Q N 0.000 119.817 119.800 0.029 0.000 2.315 577 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 577 Q CA 0.000 55.821 55.803 0.029 0.000 1.022 577 Q CB 0.000 28.755 28.738 0.027 0.000 1.108 577 Q HN 0.000 nan 8.270 nan 0.000 0.481