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 2wj2_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 TPQKQP 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 0.000 0.000 0.244 33 G C 0.000 174.821 174.900 -0.132 0.000 0.946 33 G CA 0.000 45.055 45.100 -0.075 0.000 0.502 34 R N 1.343 121.762 120.500 -0.136 0.000 2.629 34 R HA 0.182 4.522 4.340 0.000 0.000 0.408 34 R C 1.537 177.783 176.300 -0.089 0.000 1.057 34 R CA -0.390 55.567 56.100 -0.239 0.000 1.119 34 R CB 0.782 30.811 30.300 -0.452 0.000 1.403 34 R HN 0.705 nan 8.270 nan 0.000 0.576 35 Q N 0.931 120.703 119.800 -0.046 0.000 2.119 35 Q HA -0.070 4.270 4.340 0.000 0.000 0.201 35 Q C 1.890 177.888 176.000 -0.002 0.000 0.972 35 Q CA 1.560 57.360 55.803 -0.005 0.000 0.847 35 Q CB 0.280 29.013 28.738 -0.009 0.000 0.903 35 Q HN 0.128 nan 8.270 nan 0.000 0.433 36 K N -0.616 119.768 120.400 -0.026 0.000 2.062 36 K HA -0.072 4.248 4.320 0.000 0.000 0.205 36 K C 1.921 178.515 176.600 -0.010 0.000 1.051 36 K CA 0.975 57.248 56.287 -0.022 0.000 0.941 36 K CB -0.118 32.360 32.500 -0.037 0.000 0.719 36 K HN 0.206 nan 8.250 nan 0.000 0.440 37 A N 1.453 124.255 122.820 -0.029 0.000 1.902 37 A HA -0.164 4.156 4.320 0.000 0.000 0.217 37 A C 2.073 179.762 177.584 0.175 0.000 1.181 37 A CA 1.397 53.458 52.037 0.040 0.000 0.623 37 A CB -0.443 18.493 19.000 -0.106 0.000 0.818 37 A HN 0.296 nan 8.150 nan 0.000 0.443 38 R N -0.972 119.645 120.500 0.195 0.000 2.081 38 R HA -0.091 4.249 4.340 0.000 0.000 0.235 38 R C 2.438 178.778 176.300 0.066 0.000 1.131 38 R CA 1.127 57.328 56.100 0.168 0.000 0.960 38 R CB -0.673 29.714 30.300 0.146 0.000 0.856 38 R HN 0.537 nan 8.270 nan 0.000 0.436 39 G N 0.729 109.554 108.800 0.042 0.000 2.446 39 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 39 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 39 G C 1.540 176.442 174.900 0.002 0.000 1.168 39 G CA 0.921 46.031 45.100 0.016 0.000 0.771 39 G HN 0.426 nan 8.290 nan 0.000 0.551 40 A N 1.187 124.007 122.820 -0.000 0.000 1.877 40 A HA 0.258 4.578 4.320 0.000 0.000 0.216 40 A C 2.858 180.401 177.584 -0.067 0.000 1.186 40 A CA 2.373 54.395 52.037 -0.026 0.000 0.620 40 A CB -0.921 18.064 19.000 -0.024 0.000 0.822 40 A HN 0.858 nan 8.150 nan 0.000 0.443 41 A N -0.856 121.931 122.820 -0.055 0.000 1.883 41 A HA -0.148 4.172 4.320 0.000 0.000 0.217 41 A C 2.321 179.847 177.584 -0.097 0.000 1.186 41 A CA 2.506 54.476 52.037 -0.111 0.000 0.624 41 A CB -1.480 17.476 19.000 -0.074 0.000 0.822 41 A HN 0.442 nan 8.150 nan 0.000 0.444 42 T N -0.613 113.914 114.554 -0.045 0.000 2.720 42 T HA -0.173 4.177 4.350 0.000 0.000 0.268 42 T C 2.097 176.784 174.700 -0.021 0.000 1.037 42 T CA 1.732 63.816 62.100 -0.027 0.000 1.144 42 T CB -0.224 68.640 68.868 -0.007 0.000 0.864 42 T HN 0.503 nan 8.240 nan 0.000 0.444 43 R N 0.536 121.023 120.500 -0.022 0.000 2.066 43 R HA 0.087 4.427 4.340 0.000 0.000 0.232 43 R C 2.870 179.170 176.300 -0.000 0.000 1.131 43 R CA 1.194 57.292 56.100 -0.003 0.000 0.955 43 R CB -0.480 29.820 30.300 0.001 0.000 0.851 43 R HN 0.362 nan 8.270 nan 0.000 0.432 44 A N 1.195 123.976 122.820 -0.066 0.000 1.908 44 A HA -0.199 4.121 4.320 0.000 0.000 0.218 44 A C 2.070 179.662 177.584 0.013 0.000 1.181 44 A CA 1.387 53.367 52.037 -0.095 0.000 0.627 44 A CB -0.411 18.260 19.000 -0.548 0.000 0.818 44 A HN 0.245 nan 8.150 nan 0.000 0.445 45 R N -0.881 119.589 120.500 -0.050 0.000 2.096 45 R HA -0.146 4.194 4.340 0.000 0.000 0.235 45 R C 2.478 178.826 176.300 0.080 0.000 1.127 45 R CA 1.604 57.727 56.100 0.038 0.000 0.968 45 R CB -0.317 29.978 30.300 -0.008 0.000 0.861 45 R HN 0.689 nan 8.270 nan 0.000 0.440 46 Q N 0.617 120.452 119.800 0.058 0.000 2.020 46 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 46 Q C 1.995 178.055 176.000 0.100 0.000 0.982 46 Q CA 1.615 57.459 55.803 0.068 0.000 0.838 46 Q CB 0.046 28.814 28.738 0.049 0.000 0.899 46 Q HN 0.237 nan 8.270 nan 0.000 0.423 47 K N 0.413 120.886 120.400 0.122 0.000 2.032 47 K HA -0.265 4.055 4.320 0.000 0.000 0.209 47 K C 2.194 178.903 176.600 0.183 0.000 1.048 47 K CA 1.636 58.013 56.287 0.151 0.000 0.927 47 K CB -0.204 32.401 32.500 0.174 0.000 0.712 47 K HN 0.260 nan 8.250 nan 0.000 0.441 48 Q N 1.126 121.069 119.800 0.239 0.000 2.061 48 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 48 Q C 2.254 178.345 176.000 0.153 0.000 0.984 48 Q CA 1.519 57.450 55.803 0.212 0.000 0.846 48 Q CB -0.014 28.904 28.738 0.300 0.000 0.902 48 Q HN 0.194 nan 8.270 nan 0.000 0.421 49 R N -0.417 120.164 120.500 0.136 0.000 2.073 49 R HA -0.159 4.181 4.340 0.000 0.000 0.234 49 R C 2.209 178.583 176.300 0.123 0.000 1.134 49 R CA 1.421 57.588 56.100 0.113 0.000 0.952 49 R CB -0.384 29.970 30.300 0.089 0.000 0.850 49 R HN 0.364 nan 8.270 nan 0.000 0.433 50 A N -0.177 122.715 122.820 0.120 0.000 1.902 50 A HA -0.141 4.179 4.320 0.000 0.000 0.217 50 A C 2.225 179.896 177.584 0.145 0.000 1.181 50 A CA 1.862 53.970 52.037 0.119 0.000 0.623 50 A CB -0.613 18.451 19.000 0.106 0.000 0.818 50 A HN 0.402 nan 8.150 nan 0.000 0.443 51 S N -0.271 115.530 115.700 0.168 0.000 2.353 51 S HA -0.125 4.345 4.470 0.000 0.000 0.222 51 S C 1.861 176.567 174.600 0.177 0.000 1.035 51 S CA 1.620 59.948 58.200 0.215 0.000 1.025 51 S CB -0.481 62.851 63.200 0.219 0.000 0.902 51 S HN 0.518 nan 8.310 nan 0.000 0.440 52 L N 1.002 122.330 121.223 0.175 0.000 2.083 52 L HA -0.133 4.207 4.340 0.000 0.000 0.209 52 L C 2.616 179.649 176.870 0.271 0.000 1.083 52 L CA 1.435 56.425 54.840 0.249 0.000 0.752 52 L CB -0.531 41.656 42.059 0.213 0.000 0.899 52 L HN 0.297 nan 8.230 nan 0.000 0.433 53 E N 0.171 120.486 120.200 0.191 0.000 2.110 53 E HA -0.179 4.171 4.350 0.000 0.000 0.193 53 E C 1.988 178.616 176.600 0.047 0.000 0.988 53 E CA 1.923 58.401 56.400 0.129 0.000 0.804 53 E CB -0.132 29.635 29.700 0.112 0.000 0.745 53 E HN 0.303 nan 8.360 nan 0.000 0.458 54 T N 0.432 115.025 114.554 0.066 0.000 2.788 54 T HA -0.124 4.226 4.350 0.000 0.000 0.268 54 T C 1.838 176.484 174.700 -0.091 0.000 1.044 54 T CA 1.596 63.727 62.100 0.052 0.000 1.139 54 T CB -0.211 68.768 68.868 0.185 0.000 0.867 54 T HN 0.192 nan 8.240 nan 0.000 0.454 55 M N 0.973 120.438 119.600 -0.225 0.000 2.086 55 M HA -0.089 4.391 4.480 0.000 0.000 0.261 55 M C 2.275 178.372 176.300 -0.339 0.000 1.067 55 M CA 1.578 56.638 55.300 -0.401 0.000 1.116 55 M CB -0.389 32.034 32.600 -0.296 0.000 1.348 55 M HN 0.120 nan 8.290 nan 0.000 0.407 56 D N 0.543 120.679 120.400 -0.441 0.000 2.092 56 D HA -0.162 4.479 4.640 0.000 0.000 0.193 56 D C 1.807 177.886 176.300 -0.368 0.000 0.994 56 D CA 1.598 55.174 54.000 -0.708 0.000 0.828 56 D CB 0.073 40.435 40.800 -0.730 0.000 0.963 56 D HN 0.148 nan 8.370 nan 0.000 0.450 57 K N -0.340 119.939 120.400 -0.201 0.000 2.103 57 K HA -0.099 4.221 4.320 0.000 0.000 0.207 57 K C 2.094 178.643 176.600 -0.085 0.000 1.048 57 K CA 1.277 57.496 56.287 -0.114 0.000 0.930 57 K CB -0.173 32.301 32.500 -0.044 0.000 0.716 57 K HN 0.172 nan 8.250 nan 0.000 0.444 58 A N 0.470 123.265 122.820 -0.043 0.000 1.929 58 A HA -0.082 4.238 4.320 0.000 0.000 0.216 58 A C 2.281 179.854 177.584 -0.018 0.000 1.176 58 A CA 1.143 53.212 52.037 0.055 0.000 0.628 58 A CB -0.424 18.755 19.000 0.297 0.000 0.816 58 A HN 0.071 nan 8.150 nan 0.000 0.444 59 V N -0.301 119.590 119.914 -0.039 0.000 2.358 59 V HA -0.245 3.875 4.120 0.000 0.000 0.246 59 V C 2.752 178.801 176.094 -0.075 0.000 1.047 59 V CA 2.157 64.436 62.300 -0.036 0.000 1.035 59 V CB -0.729 31.005 31.823 -0.149 0.000 0.658 59 V HN 0.483 nan 8.190 nan 0.000 0.452 60 Q N -0.141 119.570 119.800 -0.149 0.000 2.084 60 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 60 Q C 2.353 178.284 176.000 -0.114 0.000 0.978 60 Q CA 1.735 57.457 55.803 -0.136 0.000 0.844 60 Q CB -0.545 28.100 28.738 -0.156 0.000 0.898 60 Q HN 0.558 nan 8.270 nan 0.000 0.426 61 R N -0.904 119.526 120.500 -0.117 0.000 2.081 61 R HA -0.154 4.186 4.340 0.000 0.000 0.235 61 R C 2.146 178.344 176.300 -0.170 0.000 1.131 61 R CA 1.389 57.412 56.100 -0.128 0.000 0.960 61 R CB -0.438 29.794 30.300 -0.114 0.000 0.856 61 R HN 0.301 nan 8.270 nan 0.000 0.436 62 F N 1.250 120.978 119.950 -0.370 0.000 2.113 62 F HA -0.113 4.413 4.527 -0.001 0.000 0.297 62 F C 2.276 177.947 175.800 -0.215 0.000 1.103 62 F CA 1.541 59.294 58.000 -0.412 0.000 1.248 62 F CB -0.091 38.503 39.000 -0.676 0.000 0.999 62 F HN -0.083 nan 8.300 nan 0.000 0.475 63 R N 0.211 120.646 120.500 -0.108 0.000 2.081 63 R HA -0.153 4.187 4.340 0.000 0.000 0.235 63 R C 2.368 178.543 176.300 -0.210 0.000 1.131 63 R CA 1.654 57.673 56.100 -0.136 0.000 0.960 63 R CB -0.728 29.552 30.300 -0.034 0.000 0.856 63 R HN 0.377 nan 8.270 nan 0.000 0.436 64 L N 0.721 121.835 121.223 -0.182 0.000 2.043 64 L HA -0.258 4.082 4.340 0.000 0.000 0.212 64 L C 2.180 178.928 176.870 -0.204 0.000 1.075 64 L CA 1.355 56.097 54.840 -0.163 0.000 0.752 64 L CB -0.250 41.728 42.059 -0.134 0.000 0.891 64 L HN 0.290 nan 8.230 nan 0.000 0.432 65 Q N -0.701 118.920 119.800 -0.299 0.000 2.425 65 Q HA 0.067 4.407 4.340 0.000 0.000 0.204 65 Q C 0.174 175.954 176.000 -0.366 0.000 0.933 65 Q CA 0.514 56.132 55.803 -0.309 0.000 0.939 65 Q CB 0.289 28.832 28.738 -0.324 0.000 1.044 65 Q HN 0.578 nan 8.270 nan 0.000 0.513 66 N N 0.652 119.087 118.700 -0.442 0.000 2.646 66 N HA 0.123 4.863 4.740 0.000 0.000 0.303 66 N C -2.133 173.248 175.510 -0.215 0.000 1.921 66 N CA -0.794 52.026 53.050 -0.383 0.000 0.872 66 N CB 1.299 39.371 38.487 -0.692 0.000 1.327 66 N HN 0.022 nan 8.380 nan 0.000 0.492 67 P HA -0.085 nan 4.420 nan 0.000 0.219 67 P C 0.150 177.412 177.300 -0.064 0.000 1.146 67 P CA 1.378 64.419 63.100 -0.098 0.000 0.808 67 P CB 0.362 32.012 31.700 -0.084 0.000 0.779 68 D N -0.706 119.658 120.400 -0.060 0.000 2.427 68 D HA 0.101 4.741 4.640 0.000 0.000 0.224 68 D C 0.418 176.708 176.300 -0.018 0.000 1.157 68 D CA -0.230 53.750 54.000 -0.034 0.000 0.828 68 D CB -0.012 40.769 40.800 -0.031 0.000 0.974 68 D HN 0.166 nan 8.370 nan 0.000 0.498 69 L N 1.821 123.038 121.223 -0.011 0.000 2.361 69 L HA 0.113 4.453 4.340 0.000 0.000 0.278 69 L C 0.064 176.947 176.870 0.022 0.000 1.113 69 L CA 0.103 54.959 54.840 0.027 0.000 0.849 69 L CB 0.956 43.066 42.059 0.085 0.000 1.155 69 L HN -0.160 nan 8.230 nan 0.000 0.452 70 D N 2.871 123.281 120.400 0.016 0.000 2.455 70 D HA 0.003 4.643 4.640 0.000 0.000 0.234 70 D C 1.361 177.660 176.300 -0.003 0.000 1.224 70 D CA 0.066 54.068 54.000 0.003 0.000 0.999 70 D CB 0.763 41.563 40.800 0.001 0.000 1.072 70 D HN 0.624 nan 8.370 nan 0.000 0.514 71 S N 2.335 118.030 115.700 -0.008 0.000 2.423 71 S HA -0.159 4.311 4.470 0.000 0.000 0.231 71 S C 1.567 176.124 174.600 -0.072 0.000 1.014 71 S CA 0.606 58.785 58.200 -0.035 0.000 0.965 71 S CB -0.028 63.155 63.200 -0.029 0.000 0.785 71 S HN 0.470 nan 8.310 nan 0.000 0.495 72 E N 1.855 122.024 120.200 -0.053 0.000 2.107 72 E HA 0.134 4.484 4.350 0.000 0.000 0.191 72 E C 2.381 178.953 176.600 -0.048 0.000 0.982 72 E CA 0.790 57.155 56.400 -0.058 0.000 0.809 72 E CB -0.428 29.247 29.700 -0.041 0.000 0.756 72 E HN 0.621 nan 8.360 nan 0.000 0.459 73 A N 1.416 124.218 122.820 -0.030 0.000 1.865 73 A HA -0.214 4.106 4.320 0.000 0.000 0.217 73 A C 2.197 179.769 177.584 -0.021 0.000 1.191 73 A CA 1.332 53.359 52.037 -0.017 0.000 0.623 73 A CB -0.815 18.182 19.000 -0.005 0.000 0.826 73 A HN 0.317 nan 8.150 nan 0.000 0.444 74 L N -0.710 120.493 121.223 -0.032 0.000 2.046 74 L HA -0.139 4.201 4.340 0.000 0.000 0.208 74 L C 2.443 179.264 176.870 -0.081 0.000 1.077 74 L CA 1.442 56.261 54.840 -0.036 0.000 0.747 74 L CB -0.224 41.810 42.059 -0.040 0.000 0.896 74 L HN 0.437 nan 8.230 nan 0.000 0.432 75 L N -0.477 120.643 121.223 -0.172 0.000 2.093 75 L HA -0.179 4.161 4.340 0.000 0.000 0.208 75 L C 2.512 179.332 176.870 -0.082 0.000 1.085 75 L CA 1.790 56.467 54.840 -0.272 0.000 0.755 75 L CB -0.708 41.166 42.059 -0.308 0.000 0.904 75 L HN 0.477 nan 8.230 nan 0.000 0.435 76 T N -3.053 111.475 114.554 -0.043 0.000 3.113 76 T HA 0.078 4.428 4.350 0.000 0.000 0.256 76 T C 0.682 175.397 174.700 0.024 0.000 1.131 76 T CA -0.318 61.780 62.100 -0.003 0.000 1.074 76 T CB -0.185 68.677 68.868 -0.010 0.000 0.944 76 T HN -0.139 nan 8.240 nan 0.000 0.516 77 L N 3.296 124.538 121.223 0.030 0.000 2.499 77 L HA 0.320 4.660 4.340 0.000 0.000 0.273 77 L C -2.098 174.809 176.870 0.062 0.000 1.195 77 L CA -2.057 52.809 54.840 0.045 0.000 0.882 77 L CB -0.044 42.045 42.059 0.049 0.000 1.133 77 L HN 0.078 nan 8.230 nan 0.000 0.483 78 P HA -0.004 nan 4.420 nan 0.000 0.269 78 P C 0.766 178.091 177.300 0.042 0.000 1.209 78 P CA -0.463 62.666 63.100 0.048 0.000 0.776 78 P CB 0.564 32.288 31.700 0.040 0.000 0.876 79 L N 3.305 124.546 121.223 0.029 0.000 2.043 79 L HA -0.194 4.146 4.340 0.000 0.000 0.212 79 L C 1.809 178.682 176.870 0.006 0.000 1.075 79 L CA 1.995 56.839 54.840 0.006 0.000 0.752 79 L CB -1.039 41.008 42.059 -0.021 0.000 0.891 79 L HN 0.336 nan 8.230 nan 0.000 0.432 80 L N -0.835 120.396 121.223 0.013 0.000 2.046 80 L HA -0.229 4.111 4.340 0.000 0.000 0.208 80 L C 2.590 179.475 176.870 0.024 0.000 1.077 80 L CA 1.773 56.623 54.840 0.017 0.000 0.747 80 L CB -1.271 40.804 42.059 0.027 0.000 0.896 80 L HN 0.517 nan 8.230 nan 0.000 0.432 81 Q N -0.977 118.840 119.800 0.029 0.000 2.079 81 Q HA -0.212 4.128 4.340 0.000 0.000 0.200 81 Q C 2.203 178.224 176.000 0.034 0.000 0.974 81 Q CA 0.950 56.773 55.803 0.032 0.000 0.840 81 Q CB -0.118 28.640 28.738 0.033 0.000 0.898 81 Q HN 0.281 nan 8.270 nan 0.000 0.430 82 L N 0.366 121.611 121.223 0.036 0.000 2.012 82 L HA -0.173 4.167 4.340 0.000 0.000 0.210 82 L C 2.154 179.041 176.870 0.029 0.000 1.073 82 L CA 1.481 56.344 54.840 0.038 0.000 0.748 82 L CB -0.562 41.525 42.059 0.046 0.000 0.891 82 L HN -0.026 nan 8.230 nan 0.000 0.431 83 V N -0.332 119.594 119.914 0.020 0.000 2.343 83 V HA -0.295 3.825 4.120 0.000 0.000 0.247 83 V C 2.640 178.764 176.094 0.049 0.000 1.051 83 V CA 1.975 64.290 62.300 0.026 0.000 1.036 83 V CB -0.721 31.110 31.823 0.013 0.000 0.654 83 V HN 0.615 nan 8.190 nan 0.000 0.451 84 Q N 0.338 120.162 119.800 0.041 0.000 2.119 84 Q HA -0.200 4.140 4.340 0.000 0.000 0.201 84 Q C 2.250 178.281 176.000 0.051 0.000 0.972 84 Q CA 1.726 57.555 55.803 0.043 0.000 0.847 84 Q CB -0.071 28.688 28.738 0.035 0.000 0.903 84 Q HN 0.610 nan 8.270 nan 0.000 0.433 85 K N -0.122 120.308 120.400 0.050 0.000 2.155 85 K HA 0.000 4.321 4.320 0.000 0.000 0.203 85 K C 2.310 178.954 176.600 0.073 0.000 1.052 85 K CA 0.567 56.886 56.287 0.054 0.000 0.948 85 K CB 0.022 32.550 32.500 0.047 0.000 0.728 85 K HN 0.152 nan 8.250 nan 0.000 0.448 86 L N 0.781 122.053 121.223 0.082 0.000 2.046 86 L HA -0.237 4.103 4.340 0.000 0.000 0.208 86 L C 2.655 179.655 176.870 0.217 0.000 1.077 86 L CA 1.167 56.084 54.840 0.128 0.000 0.747 86 L CB -0.253 41.851 42.059 0.075 0.000 0.896 86 L HN 0.175 nan 8.230 nan 0.000 0.432 87 Q N -0.076 119.821 119.800 0.161 0.000 2.083 87 Q HA -0.165 4.176 4.340 0.000 0.000 0.198 87 Q C 2.399 178.432 176.000 0.055 0.000 0.969 87 Q CA 2.025 57.895 55.803 0.111 0.000 0.838 87 Q CB -0.160 28.621 28.738 0.072 0.000 0.900 87 Q HN 0.518 nan 8.270 nan 0.000 0.436 88 S N -1.927 113.806 115.700 0.055 0.000 2.406 88 S HA 0.110 4.580 4.470 0.000 0.000 0.228 88 S C 1.539 176.165 174.600 0.042 0.000 1.020 88 S CA 1.063 59.285 58.200 0.037 0.000 0.965 88 S CB -0.068 63.153 63.200 0.035 0.000 0.798 88 S HN 0.697 nan 8.310 nan 0.000 0.488 89 G N 0.791 109.631 108.800 0.067 0.000 2.184 89 G HA2 -0.257 3.703 3.960 0.000 0.000 0.206 89 G HA3 -0.257 3.703 3.960 0.000 0.000 0.206 89 G C 0.573 175.512 174.900 0.064 0.000 0.995 89 G CA 0.489 45.631 45.100 0.070 0.000 0.651 89 G HN 0.546 nan 8.290 nan 0.000 0.511 90 E N -0.424 119.810 120.200 0.057 0.000 2.153 90 E HA 0.100 4.450 4.350 0.000 0.000 0.194 90 E C 0.792 177.426 176.600 0.056 0.000 0.988 90 E CA 0.503 56.933 56.400 0.050 0.000 0.811 90 E CB -0.028 29.697 29.700 0.042 0.000 0.746 90 E HN 0.527 nan 8.360 nan 0.000 0.466 91 L N 1.339 122.601 121.223 0.065 0.000 2.346 91 L HA 0.249 4.589 4.340 0.000 0.000 0.276 91 L C 0.014 176.932 176.870 0.080 0.000 1.006 91 L CA -0.852 54.029 54.840 0.069 0.000 0.817 91 L CB 1.861 43.955 42.059 0.058 0.000 1.272 91 L HN 0.035 nan 8.230 nan 0.000 0.421 92 S N 2.047 117.801 115.700 0.089 0.000 2.601 92 S HA 0.334 4.804 4.470 0.000 0.000 0.271 92 S C -2.006 172.623 174.600 0.049 0.000 1.305 92 S CA -1.070 57.187 58.200 0.094 0.000 1.022 92 S CB 1.391 64.665 63.200 0.124 0.000 0.940 92 S HN 0.404 nan 8.310 nan 0.000 0.525 93 P HA -0.046 nan 4.420 nan 0.000 0.218 93 P C 0.918 178.187 177.300 -0.051 0.000 1.149 93 P CA 1.118 64.152 63.100 -0.111 0.000 0.817 93 P CB 0.026 31.591 31.700 -0.224 0.000 0.785 94 E N 0.002 120.222 120.200 0.034 0.000 2.047 94 E HA -0.125 4.225 4.350 0.000 0.000 0.191 94 E C 2.194 178.805 176.600 0.018 0.000 0.987 94 E CA 1.487 57.960 56.400 0.120 0.000 0.799 94 E CB -1.343 28.544 29.700 0.312 0.000 0.752 94 E HN 0.111 nan 8.360 nan 0.000 0.449 95 A N 0.686 123.574 122.820 0.114 0.000 1.892 95 A HA -0.225 4.095 4.320 0.000 0.000 0.218 95 A C 2.519 180.081 177.584 -0.036 0.000 1.188 95 A CA 1.930 54.036 52.037 0.115 0.000 0.631 95 A CB -0.966 18.158 19.000 0.207 0.000 0.822 95 A HN 0.161 nan 8.150 nan 0.000 0.447 96 V N -1.511 118.397 119.914 -0.010 0.000 2.307 96 V HA -0.203 3.917 4.120 0.000 0.000 0.245 96 V C 2.262 178.324 176.094 -0.053 0.000 1.045 96 V CA 1.993 64.294 62.300 0.002 0.000 1.024 96 V CB -0.944 30.884 31.823 0.008 0.000 0.651 96 V HN 0.625 nan 8.190 nan 0.000 0.449 97 F N 0.360 120.128 119.950 -0.302 0.000 2.069 97 F HA -0.224 4.304 4.527 0.001 0.000 0.298 97 F C 2.065 177.532 175.800 -0.556 0.000 1.113 97 F CA 2.010 59.711 58.000 -0.498 0.000 1.214 97 F CB -0.298 38.310 39.000 -0.653 0.000 0.978 97 F HN 0.124 nan 8.300 nan 0.000 0.474 98 F N 0.236 119.932 119.950 -0.423 0.000 2.259 98 F HA -0.105 4.421 4.527 -0.001 0.000 0.298 98 F C 2.511 178.037 175.800 -0.456 0.000 1.088 98 F CA 1.568 59.217 58.000 -0.585 0.000 1.358 98 F CB -1.319 37.077 39.000 -1.006 0.000 1.040 98 F HN -0.120 nan 8.300 nan 0.000 0.505 99 T N -1.136 113.281 114.554 -0.228 0.000 2.708 99 T HA -0.232 4.118 4.350 0.000 0.000 0.266 99 T C 1.707 176.249 174.700 -0.262 0.000 1.037 99 T CA 1.509 63.507 62.100 -0.169 0.000 1.146 99 T CB -0.581 68.200 68.868 -0.145 0.000 0.865 99 T HN 0.158 nan 8.240 nan 0.000 0.435 100 Y N 0.623 120.737 120.300 -0.310 0.000 2.242 100 Y HA 0.031 4.580 4.550 -0.000 0.000 0.291 100 Y C 2.121 177.798 175.900 -0.373 0.000 1.137 100 Y CA 0.340 58.228 58.100 -0.352 0.000 1.181 100 Y CB -0.460 37.699 38.460 -0.502 0.000 0.989 100 Y HN 0.084 nan 8.280 nan 0.000 0.527 101 L N -0.376 120.600 121.223 -0.413 0.000 2.046 101 L HA -0.089 4.251 4.340 0.000 0.000 0.208 101 L C 2.461 179.293 176.870 -0.063 0.000 1.077 101 L CA 2.147 56.801 54.840 -0.310 0.000 0.747 101 L CB -1.243 40.488 42.059 -0.547 0.000 0.896 101 L HN 0.208 nan 8.230 nan 0.000 0.432 102 G N -1.099 107.658 108.800 -0.072 0.000 2.418 102 G HA2 -0.347 3.613 3.960 0.000 0.000 0.217 102 G HA3 -0.347 3.613 3.960 0.000 0.000 0.217 102 G C 1.709 176.662 174.900 0.088 0.000 1.158 102 G CA 1.004 46.107 45.100 0.005 0.000 0.771 102 G HN 0.318 nan 8.290 nan 0.000 0.545 103 K N 1.085 121.494 120.400 0.015 0.000 2.062 103 K HA 0.236 4.557 4.320 0.000 0.000 0.205 103 K C 2.707 179.367 176.600 0.101 0.000 1.051 103 K CA 1.367 57.670 56.287 0.027 0.000 0.941 103 K CB -0.701 31.751 32.500 -0.081 0.000 0.719 103 K HN 0.153 nan 8.250 nan 0.000 0.440 104 A N 0.006 122.918 122.820 0.154 0.000 1.873 104 A HA -0.204 4.116 4.320 0.000 0.000 0.218 104 A C 2.206 179.881 177.584 0.152 0.000 1.193 104 A CA 1.819 53.966 52.037 0.183 0.000 0.629 104 A CB -1.370 17.816 19.000 0.311 0.000 0.826 104 A HN 0.676 nan 8.150 nan 0.000 0.447 105 W N 0.813 122.109 121.300 -0.007 0.000 2.338 105 W HA -0.190 4.471 4.660 0.001 0.000 0.304 105 W C 2.031 178.537 176.519 -0.023 0.000 1.212 105 W CA 2.058 59.387 57.345 -0.027 0.000 1.264 105 W CB -0.087 29.346 29.460 -0.046 0.000 1.142 105 W HN 0.514 nan 8.180 nan 0.000 0.512 106 E N -0.251 120.081 120.200 0.220 0.000 2.031 106 E HA -0.261 4.089 4.350 0.000 0.000 0.193 106 E C 2.235 178.768 176.600 -0.113 0.000 0.994 106 E CA 2.472 58.895 56.400 0.039 0.000 0.800 106 E CB -0.705 29.072 29.700 0.128 0.000 0.752 106 E HN 0.306 nan 8.360 nan 0.000 0.447 107 V N 0.153 120.034 119.914 -0.055 0.000 2.626 107 V HA -0.190 3.930 4.120 0.000 0.000 0.252 107 V C 1.921 177.951 176.094 -0.107 0.000 1.067 107 V CA 1.994 64.250 62.300 -0.074 0.000 1.081 107 V CB -0.725 31.076 31.823 -0.037 0.000 0.686 107 V HN 0.148 nan 8.190 nan 0.000 0.468 108 N N 1.244 119.864 118.700 -0.134 0.000 2.205 108 N HA -0.201 4.539 4.740 0.000 0.000 0.186 108 N C 1.754 177.140 175.510 -0.206 0.000 1.015 108 N CA 1.868 54.822 53.050 -0.159 0.000 0.862 108 N CB -0.441 37.936 38.487 -0.183 0.000 0.986 108 N HN 0.592 nan 8.380 nan 0.000 0.429 109 K N -1.296 118.923 120.400 -0.301 0.000 2.113 109 K HA -0.077 4.243 4.320 0.000 0.000 0.208 109 K C 1.556 178.054 176.600 -0.170 0.000 1.047 109 K CA 1.387 57.498 56.287 -0.293 0.000 0.928 109 K CB -0.242 32.044 32.500 -0.357 0.000 0.716 109 K HN 0.336 nan 8.250 nan 0.000 0.446 110 G N -0.406 108.315 108.800 -0.132 0.000 3.159 110 G HA2 -0.055 3.905 3.960 0.000 0.000 0.232 110 G HA3 -0.055 3.905 3.960 0.000 0.000 0.232 110 G C 1.103 175.966 174.900 -0.062 0.000 1.116 110 G CA 0.483 45.530 45.100 -0.087 0.000 0.767 110 G HN 0.375 nan 8.290 nan 0.000 0.547 111 T N -3.191 111.323 114.554 -0.066 0.000 2.964 111 T HA 0.112 4.462 4.350 0.000 0.000 0.250 111 T C 0.964 175.646 174.700 -0.030 0.000 0.982 111 T CA 0.574 62.653 62.100 -0.036 0.000 0.959 111 T CB -0.099 68.753 68.868 -0.027 0.000 1.141 111 T HN 0.166 nan 8.240 nan 0.000 0.494 112 N N 0.782 119.451 118.700 -0.051 0.000 2.714 112 N HA -0.207 4.533 4.740 0.000 0.000 0.253 112 N C 0.723 176.218 175.510 -0.024 0.000 1.024 112 N CA 0.717 53.746 53.050 -0.035 0.000 0.726 112 N CB -1.829 36.652 38.487 -0.010 0.000 0.908 112 N HN 0.816 nan 8.380 nan 0.000 0.542 113 C N -3.035 116.241 119.300 -0.040 0.000 2.735 113 C HA 0.487 4.947 4.460 0.000 0.000 0.271 113 C C 0.946 175.891 174.990 -0.074 0.000 1.281 113 C CA -0.377 58.617 59.018 -0.040 0.000 1.719 113 C CB -0.767 26.956 27.740 -0.027 0.000 2.024 113 C HN 0.238 nan 8.230 nan 0.000 0.566 114 V N 2.968 122.830 119.914 -0.086 0.000 2.407 114 V HA 0.381 4.501 4.120 0.000 0.000 0.278 114 V C 1.490 177.494 176.094 -0.151 0.000 1.037 114 V CA 0.956 63.189 62.300 -0.111 0.000 0.900 114 V CB 1.275 33.053 31.823 -0.076 0.000 0.983 114 V HN 0.641 nan 8.190 nan 0.000 0.459 115 T N 0.148 114.548 114.554 -0.256 0.000 3.015 115 T HA 0.193 4.543 4.350 0.000 0.000 0.250 115 T C 0.650 175.204 174.700 -0.242 0.000 1.057 115 T CA 0.512 62.308 62.100 -0.506 0.000 1.066 115 T CB 0.410 68.611 68.868 -1.111 0.000 0.959 115 T HN 0.611 nan 8.240 nan 0.000 0.488 116 S N -0.470 115.177 115.700 -0.088 0.000 2.543 116 S HA 0.463 4.933 4.470 0.000 0.000 0.274 116 S C -2.152 172.469 174.600 0.034 0.000 1.149 116 S CA -1.001 57.227 58.200 0.046 0.000 0.866 116 S CB 1.292 64.573 63.200 0.136 0.000 1.111 116 S HN 0.429 nan 8.310 nan 0.000 0.457 117 Y N 4.919 125.211 120.300 -0.013 0.000 2.353 117 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 117 Y C -0.516 175.330 175.900 -0.088 0.000 0.972 117 Y CA -0.947 57.127 58.100 -0.043 0.000 1.157 117 Y CB 0.635 39.135 38.460 0.066 0.000 1.157 117 Y HN 0.616 nan 8.280 nan 0.000 0.495 118 L N 7.301 128.140 121.223 -0.640 0.000 2.485 118 L HA 0.048 4.389 4.340 0.000 0.000 0.279 118 L C 1.393 177.855 176.870 -0.680 0.000 1.124 118 L CA 0.078 54.332 54.840 -0.977 0.000 0.888 118 L CB 0.624 41.826 42.059 -1.429 0.000 1.217 118 L HN 0.851 nan 8.230 nan 0.000 0.464 119 T N -2.587 111.842 114.554 -0.208 0.000 2.942 119 T HA -0.177 4.173 4.350 0.000 0.000 0.265 119 T C 1.434 176.067 174.700 -0.112 0.000 1.062 119 T CA 0.787 62.778 62.100 -0.183 0.000 1.139 119 T CB -0.045 68.852 68.868 0.047 0.000 0.883 119 T HN 0.625 nan 8.240 nan 0.000 0.468 120 D N 1.375 121.783 120.400 0.013 0.000 2.263 120 D HA -0.153 4.487 4.640 0.000 0.000 0.208 120 D C 2.193 178.467 176.300 -0.044 0.000 0.971 120 D CA 1.474 55.497 54.000 0.040 0.000 0.867 120 D CB -0.307 40.588 40.800 0.158 0.000 0.929 120 D HN 0.688 nan 8.370 nan 0.000 0.492 121 C N -0.315 118.906 119.300 -0.132 0.000 2.422 121 C HA 0.072 4.533 4.460 0.000 0.000 0.286 121 C C 2.272 177.073 174.990 -0.316 0.000 1.412 121 C CA 0.021 58.947 59.018 -0.154 0.000 1.786 121 C CB -1.113 26.556 27.740 -0.119 0.000 1.835 121 C HN 0.215 nan 8.230 nan 0.000 0.533 122 E N 0.985 121.021 120.200 -0.273 0.000 2.158 122 E HA -0.079 4.271 4.350 0.000 0.000 0.191 122 E C 2.288 178.765 176.600 -0.204 0.000 0.982 122 E CA 1.686 57.884 56.400 -0.336 0.000 0.823 122 E CB -0.076 29.573 29.700 -0.085 0.000 0.766 122 E HN 0.730 nan 8.360 nan 0.000 0.468 123 T N 0.979 115.467 114.554 -0.111 0.000 2.777 123 T HA -0.209 4.141 4.350 0.000 0.000 0.266 123 T C 1.863 176.511 174.700 -0.086 0.000 1.040 123 T CA 1.437 63.496 62.100 -0.068 0.000 1.141 123 T CB -0.205 68.644 68.868 -0.031 0.000 0.868 123 T HN 0.072 nan 8.240 nan 0.000 0.444 124 Q N 1.353 121.093 119.800 -0.101 0.000 2.096 124 Q HA -0.049 4.292 4.340 0.000 0.000 0.204 124 Q C 2.120 178.036 176.000 -0.140 0.000 0.982 124 Q CA 1.408 57.153 55.803 -0.097 0.000 0.850 124 Q CB -0.966 27.729 28.738 -0.072 0.000 0.901 124 Q HN 0.545 nan 8.270 nan 0.000 0.422 125 L N -0.226 120.846 121.223 -0.251 0.000 1.997 125 L HA -0.277 4.063 4.340 0.000 0.000 0.216 125 L C 2.384 179.157 176.870 -0.161 0.000 1.074 125 L CA 2.116 56.770 54.840 -0.310 0.000 0.763 125 L CB -0.738 40.998 42.059 -0.539 0.000 0.890 125 L HN 0.442 nan 8.230 nan 0.000 0.434 126 S N -1.324 114.308 115.700 -0.114 0.000 2.447 126 S HA -0.177 4.293 4.470 0.000 0.000 0.233 126 S C 1.526 176.124 174.600 -0.004 0.000 1.006 126 S CA 1.237 59.415 58.200 -0.038 0.000 0.957 126 S CB -0.044 63.142 63.200 -0.024 0.000 0.773 126 S HN 0.592 nan 8.310 nan 0.000 0.507 127 Q N 0.291 120.081 119.800 -0.016 0.000 2.159 127 Q HA 0.465 4.805 4.340 0.000 0.000 0.217 127 Q C 0.074 176.088 176.000 0.023 0.000 0.818 127 Q CA -0.170 55.635 55.803 0.003 0.000 1.008 127 Q CB 0.967 29.697 28.738 -0.014 0.000 1.148 127 Q HN 0.499 nan 8.270 nan 0.000 0.491 128 A N 2.637 125.484 122.820 0.044 0.000 2.545 128 A HA 0.212 4.532 4.320 0.000 0.000 0.253 128 A C -2.222 175.483 177.584 0.202 0.000 1.074 128 A CA -0.922 51.171 52.037 0.094 0.000 0.760 128 A CB -0.275 18.743 19.000 0.031 0.000 1.005 128 A HN 0.010 nan 8.150 nan 0.000 0.506 129 P HA 0.051 nan 4.420 nan 0.000 0.261 129 P C 0.862 178.162 177.300 0.001 0.000 1.203 129 P CA -0.113 63.017 63.100 0.049 0.000 0.767 129 P CB 0.452 32.163 31.700 0.018 0.000 0.785 130 R N 2.599 122.972 120.500 -0.212 0.000 2.096 130 R HA -0.154 4.186 4.340 0.000 0.000 0.235 130 R C 1.155 177.196 176.300 -0.431 0.000 1.127 130 R CA 1.589 57.300 56.100 -0.649 0.000 0.968 130 R CB -0.150 29.868 30.300 -0.470 0.000 0.861 130 R HN 0.519 nan 8.270 nan 0.000 0.440 131 Q N -0.533 119.156 119.800 -0.185 0.000 2.415 131 Q HA 0.130 4.470 4.340 0.000 0.000 0.206 131 Q C 0.191 176.174 176.000 -0.030 0.000 0.946 131 Q CA 0.109 55.855 55.803 -0.095 0.000 0.951 131 Q CB 0.566 29.270 28.738 -0.056 0.000 1.026 131 Q HN 0.254 nan 8.270 nan 0.000 0.510 132 G N -0.268 108.534 108.800 0.004 0.000 2.406 132 G HA2 0.146 4.106 3.960 0.000 0.000 0.251 132 G HA3 0.146 4.106 3.960 0.000 0.000 0.251 132 G C 0.372 175.308 174.900 0.061 0.000 1.271 132 G CA -0.495 44.635 45.100 0.051 0.000 0.859 132 G HN 0.204 nan 8.290 nan 0.000 0.540 133 L N 1.520 122.760 121.223 0.029 0.000 2.261 133 L HA -0.011 4.330 4.340 0.000 0.000 0.216 133 L C 2.130 179.006 176.870 0.011 0.000 1.114 133 L CA 1.337 56.183 54.840 0.011 0.000 0.777 133 L CB -0.313 41.734 42.059 -0.021 0.000 0.910 133 L HN 0.509 nan 8.230 nan 0.000 0.440 134 L N -2.223 119.009 121.223 0.015 0.000 3.110 134 L HA 0.161 4.501 4.340 0.000 0.000 0.266 134 L C -0.158 176.718 176.870 0.009 0.000 1.257 134 L CA -0.635 54.199 54.840 -0.009 0.000 1.038 134 L CB -0.307 41.723 42.059 -0.048 0.000 1.395 134 L HN 0.021 nan 8.230 nan 0.000 0.566 135 Y N 1.569 121.843 120.300 -0.043 0.000 2.804 135 Y HA 0.170 4.720 4.550 0.002 0.000 0.338 135 Y C 1.464 177.341 175.900 -0.038 0.000 1.252 135 Y CA 1.151 59.228 58.100 -0.039 0.000 1.576 135 Y CB 0.365 38.808 38.460 -0.028 0.000 1.223 135 Y HN 0.395 nan 8.280 nan 0.000 0.536 136 G N 3.563 111.934 108.800 -0.715 0.000 2.179 136 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 136 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 136 G C -0.420 174.301 174.900 -0.297 0.000 0.977 136 G CA 0.054 44.781 45.100 -0.622 0.000 0.641 136 G HN 0.726 nan 8.290 nan 0.000 0.533 137 V N 2.548 122.332 119.914 -0.216 0.000 2.408 137 V HA 0.396 4.516 4.120 0.000 0.000 0.267 137 V C -1.584 174.403 176.094 -0.178 0.000 1.047 137 V CA -1.396 60.795 62.300 -0.182 0.000 0.937 137 V CB 1.334 33.073 31.823 -0.139 0.000 0.999 137 V HN 0.128 nan 8.190 nan 0.000 0.472 138 P HA 0.236 nan 4.420 nan 0.000 0.271 138 P C -0.785 176.464 177.300 -0.084 0.000 1.220 138 P CA 0.028 62.971 63.100 -0.262 0.000 0.768 138 P CB 0.838 32.074 31.700 -0.773 0.000 0.848 139 V N 3.050 123.073 119.914 0.182 0.000 2.531 139 V HA 0.323 4.443 4.120 0.000 0.000 0.301 139 V C 0.071 176.222 176.094 0.095 0.000 1.034 139 V CA -0.549 61.815 62.300 0.105 0.000 0.865 139 V CB 2.018 33.826 31.823 -0.026 0.000 0.995 139 V HN 0.593 nan 8.190 nan 0.000 0.424 140 S N 5.824 121.493 115.700 -0.052 0.000 2.562 140 S HA 0.796 5.266 4.470 0.000 0.000 0.275 140 S C -0.693 173.781 174.600 -0.211 0.000 1.281 140 S CA -0.673 57.347 58.200 -0.301 0.000 1.045 140 S CB 1.114 64.150 63.200 -0.274 0.000 0.962 140 S HN 0.513 nan 8.310 nan 0.000 0.503 141 L N 2.093 123.202 121.223 -0.190 0.000 2.333 141 L HA 0.492 4.832 4.340 0.000 0.000 0.280 141 L C 0.287 177.223 176.870 0.109 0.000 1.004 141 L CA -0.854 53.944 54.840 -0.070 0.000 0.820 141 L CB 1.714 43.789 42.059 0.027 0.000 1.247 141 L HN 0.743 nan 8.230 nan 0.000 0.416 142 K N 2.499 123.021 120.400 0.202 0.000 2.550 142 K HA -0.107 4.213 4.320 0.000 0.000 0.280 142 K C 1.098 177.812 176.600 0.190 0.000 0.987 142 K CA 0.256 56.686 56.287 0.238 0.000 1.048 142 K CB 0.631 33.332 32.500 0.336 0.000 0.879 142 K HN 0.665 nan 8.250 nan 0.000 0.491 143 E N 2.745 122.913 120.200 -0.053 0.000 2.267 143 E HA -0.217 4.133 4.350 0.000 0.000 0.197 143 E C 1.367 177.740 176.600 -0.379 0.000 0.998 143 E CA 1.504 57.668 56.400 -0.395 0.000 0.830 143 E CB -0.087 29.436 29.700 -0.295 0.000 0.751 143 E HN 0.792 nan 8.360 nan 0.000 0.491 144 C N -0.595 118.605 119.300 -0.168 0.000 2.562 144 C HA 0.178 4.638 4.460 0.000 0.000 0.266 144 C C 1.004 175.869 174.990 -0.207 0.000 1.382 144 C CA -0.816 58.087 59.018 -0.191 0.000 1.742 144 C CB -1.774 25.835 27.740 -0.218 0.000 1.812 144 C HN 0.039 nan 8.230 nan 0.000 0.559 145 F N 3.285 123.228 119.950 -0.013 0.000 2.494 145 F HA 0.262 4.790 4.527 0.001 0.000 0.351 145 F C 1.117 177.020 175.800 0.171 0.000 1.205 145 F CA 0.158 58.206 58.000 0.080 0.000 1.125 145 F CB -0.092 38.969 39.000 0.102 0.000 1.268 145 F HN 0.070 nan 8.300 nan 0.000 0.593 146 S N 3.379 119.217 115.700 0.230 0.000 2.573 146 S HA -0.061 4.409 4.470 0.000 0.000 0.297 146 S C -0.745 174.039 174.600 0.307 0.000 1.280 146 S CA 0.282 58.623 58.200 0.236 0.000 1.061 146 S CB 0.010 63.290 63.200 0.134 0.000 0.812 146 S HN 0.530 nan 8.310 nan 0.000 0.500 147 Y N 2.237 122.660 120.300 0.206 0.000 2.386 147 Y HA 0.322 4.872 4.550 -0.000 0.000 0.334 147 Y C -0.109 175.873 175.900 0.137 0.000 1.002 147 Y CA -0.942 57.220 58.100 0.103 0.000 1.068 147 Y CB 0.946 39.355 38.460 -0.085 0.000 1.203 147 Y HN 0.588 nan 8.280 nan 0.000 0.443 148 K N 3.800 124.137 120.400 -0.104 0.000 2.504 148 K HA 0.216 4.536 4.320 0.000 0.000 0.278 148 K C 1.002 177.755 176.600 0.256 0.000 1.025 148 K CA 1.820 58.124 56.287 0.029 0.000 1.093 148 K CB -0.237 32.197 32.500 -0.110 0.000 0.873 148 K HN 1.123 nan 8.250 nan 0.000 0.483 149 G N 3.084 112.001 108.800 0.194 0.000 2.176 149 G HA2 -0.217 3.743 3.960 0.000 0.000 0.253 149 G HA3 -0.217 3.743 3.960 0.000 0.000 0.253 149 G C -0.268 174.661 174.900 0.048 0.000 0.979 149 G CA -0.022 45.154 45.100 0.126 0.000 0.641 149 G HN 0.784 nan 8.290 nan 0.000 0.530 150 H N 0.546 119.725 119.070 0.182 0.000 2.572 150 H HA 0.363 4.919 4.556 0.000 0.000 0.359 150 H C -0.684 174.760 175.328 0.194 0.000 1.134 150 H CA -0.891 55.274 56.048 0.195 0.000 1.187 150 H CB 1.573 31.482 29.762 0.245 0.000 1.597 150 H HN 0.141 nan 8.280 nan 0.000 0.524 151 D N 0.922 121.476 120.400 0.256 0.000 2.423 151 D HA 0.020 4.660 4.640 0.000 0.000 0.238 151 D C -0.160 176.251 176.300 0.185 0.000 1.142 151 D CA 0.491 54.609 54.000 0.196 0.000 0.884 151 D CB 0.770 41.678 40.800 0.179 0.000 1.199 151 D HN 0.290 nan 8.370 nan 0.000 0.438 152 S N 0.196 115.955 115.700 0.100 0.000 2.426 152 S HA 0.116 4.586 4.470 0.000 0.000 0.236 152 S C 1.412 176.031 174.600 0.033 0.000 1.368 152 S CA -0.605 57.595 58.200 -0.001 0.000 1.154 152 S CB 0.646 63.828 63.200 -0.029 0.000 1.037 152 S HN 0.525 nan 8.310 nan 0.000 0.481 153 T N 0.359 114.963 114.554 0.084 0.000 2.857 153 T HA -0.004 4.346 4.350 0.000 0.000 0.266 153 T C 1.102 175.835 174.700 0.054 0.000 1.048 153 T CA 0.520 62.679 62.100 0.099 0.000 1.139 153 T CB -0.717 68.271 68.868 0.200 0.000 0.874 153 T HN 0.602 nan 8.240 nan 0.000 0.455 154 L N 0.449 121.705 121.223 0.055 0.000 4.179 154 L HA -0.218 4.122 4.340 0.000 0.000 0.418 154 L C 1.377 178.283 176.870 0.060 0.000 1.168 154 L CA 0.332 55.195 54.840 0.038 0.000 0.972 154 L CB -2.674 39.383 42.059 -0.003 0.000 2.005 154 L HN 0.721 nan 8.230 nan 0.000 0.935 155 G N -0.512 108.362 108.800 0.122 0.000 2.155 155 G HA2 -0.306 3.654 3.960 0.000 0.000 0.257 155 G HA3 -0.306 3.654 3.960 0.000 0.000 0.257 155 G C 0.079 174.975 174.900 -0.008 0.000 0.983 155 G CA 0.584 45.739 45.100 0.090 0.000 0.676 155 G HN 0.358 nan 8.290 nan 0.000 0.528 156 L N 0.557 121.750 121.223 -0.051 0.000 2.295 156 L HA 0.547 4.887 4.340 0.000 0.000 0.285 156 L C 1.842 178.664 176.870 -0.081 0.000 1.035 156 L CA 0.039 54.803 54.840 -0.127 0.000 0.806 156 L CB 1.621 43.545 42.059 -0.225 0.000 1.214 156 L HN 0.170 nan 8.230 nan 0.000 0.426 157 S N 3.585 119.241 115.700 -0.073 0.000 2.374 157 S HA -0.205 4.265 4.470 0.000 0.000 0.227 157 S C 1.698 176.269 174.600 -0.048 0.000 1.037 157 S CA 2.150 60.321 58.200 -0.048 0.000 1.024 157 S CB -0.344 62.832 63.200 -0.040 0.000 0.861 157 S HN 0.648 nan 8.310 nan 0.000 0.456 158 L N -0.221 120.961 121.223 -0.067 0.000 2.456 158 L HA 0.166 4.506 4.340 0.000 0.000 0.224 158 L C 1.279 178.133 176.870 -0.027 0.000 1.148 158 L CA 1.422 56.232 54.840 -0.050 0.000 0.825 158 L CB -0.497 41.524 42.059 -0.063 0.000 0.937 158 L HN 0.146 nan 8.230 nan 0.000 0.450 159 N N -0.050 118.636 118.700 -0.022 0.000 2.236 159 N HA 0.027 4.767 4.740 0.000 0.000 0.196 159 N C 0.268 175.793 175.510 0.025 0.000 1.114 159 N CA 0.145 53.199 53.050 0.006 0.000 0.859 159 N CB 0.066 38.559 38.487 0.011 0.000 0.982 159 N HN 0.468 nan 8.380 nan 0.000 0.493 160 E N 0.611 120.818 120.200 0.013 0.000 2.373 160 E HA 0.193 4.543 4.350 0.000 0.000 0.267 160 E C 0.598 177.214 176.600 0.026 0.000 1.032 160 E CA 0.192 56.607 56.400 0.025 0.000 0.889 160 E CB 0.530 30.227 29.700 -0.006 0.000 0.984 160 E HN 0.369 nan 8.360 nan 0.000 0.425 161 G N 4.576 113.401 108.800 0.041 0.000 2.225 161 G HA2 -0.209 3.751 3.960 0.000 0.000 0.267 161 G HA3 -0.209 3.751 3.960 0.000 0.000 0.267 161 G C 0.270 175.189 174.900 0.030 0.000 1.024 161 G CA 0.619 45.738 45.100 0.032 0.000 0.784 161 G HN 0.367 nan 8.290 nan 0.000 0.507 162 M N 1.150 120.774 119.600 0.040 0.000 2.386 162 M HA 0.257 4.737 4.480 0.000 0.000 0.245 162 M C -2.393 173.940 176.300 0.056 0.000 0.982 162 M CA -1.941 53.382 55.300 0.038 0.000 0.860 162 M CB 0.892 33.511 32.600 0.031 0.000 1.371 162 M HN 0.044 nan 8.290 nan 0.000 0.425 163 P HA 0.101 nan 4.420 nan 0.000 0.271 163 P C 0.120 177.472 177.300 0.087 0.000 1.218 163 P CA 0.032 63.181 63.100 0.082 0.000 0.780 163 P CB 0.890 32.623 31.700 0.054 0.000 0.901 164 S N 1.376 117.153 115.700 0.128 0.000 2.572 164 S HA 0.028 4.498 4.470 0.000 0.000 0.279 164 S C 1.039 175.687 174.600 0.081 0.000 1.341 164 S CA -0.196 58.070 58.200 0.109 0.000 1.043 164 S CB -0.060 63.230 63.200 0.150 0.000 0.887 164 S HN 0.391 nan 8.310 nan 0.000 0.516 165 E N 1.431 121.661 120.200 0.049 0.000 2.447 165 E HA 0.102 4.452 4.350 0.000 0.000 0.195 165 E C 0.258 176.864 176.600 0.009 0.000 1.028 165 E CA 0.267 56.684 56.400 0.028 0.000 0.876 165 E CB 0.408 30.119 29.700 0.018 0.000 0.885 165 E HN 0.747 nan 8.360 nan 0.000 0.500 166 S N -0.110 115.593 115.700 0.006 0.000 2.611 166 S HA 0.261 4.731 4.470 0.000 0.000 0.268 166 S C -1.347 173.227 174.600 -0.044 0.000 1.156 166 S CA -1.140 57.041 58.200 -0.031 0.000 0.817 166 S CB 1.723 64.909 63.200 -0.024 0.000 1.122 166 S HN -0.220 nan 8.310 nan 0.000 0.466 167 D N 1.673 122.008 120.400 -0.109 0.000 2.350 167 D HA 0.381 5.021 4.640 0.000 0.000 0.249 167 D C 1.007 177.298 176.300 -0.014 0.000 1.119 167 D CA -0.327 53.605 54.000 -0.114 0.000 0.886 167 D CB 0.614 41.288 40.800 -0.211 0.000 1.195 167 D HN 0.900 nan 8.370 nan 0.000 0.437 168 C N 0.453 119.785 119.300 0.053 0.000 2.758 168 C HA 0.114 4.574 4.460 0.000 0.000 0.371 168 C C 2.164 177.196 174.990 0.071 0.000 1.342 168 C CA -0.876 58.193 59.018 0.084 0.000 2.257 168 C CB -0.080 27.750 27.740 0.149 0.000 2.621 168 C HN 0.494 nan 8.230 nan 0.000 0.730 169 V N 2.396 122.357 119.914 0.078 0.000 2.295 169 V HA -0.194 3.926 4.120 0.000 0.000 0.246 169 V C 2.637 178.765 176.094 0.058 0.000 1.049 169 V CA 2.647 64.983 62.300 0.060 0.000 1.024 169 V CB -0.842 31.024 31.823 0.072 0.000 0.648 169 V HN 1.010 nan 8.190 nan 0.000 0.447 170 V N -2.166 117.808 119.914 0.101 0.000 2.515 170 V HA -0.143 3.977 4.120 0.000 0.000 0.250 170 V C 2.210 178.315 176.094 0.019 0.000 1.058 170 V CA 1.864 64.205 62.300 0.069 0.000 1.064 170 V CB -0.792 31.099 31.823 0.113 0.000 0.675 170 V HN 0.283 nan 8.190 nan 0.000 0.461 171 V N 0.670 120.614 119.914 0.050 0.000 2.343 171 V HA -0.296 3.824 4.120 0.000 0.000 0.247 171 V C 2.884 178.958 176.094 -0.033 0.000 1.051 171 V CA 2.620 64.929 62.300 0.015 0.000 1.036 171 V CB -0.841 31.020 31.823 0.063 0.000 0.654 171 V HN 0.611 nan 8.190 nan 0.000 0.451 172 Q N -0.679 119.096 119.800 -0.040 0.000 2.050 172 Q HA -0.169 4.172 4.340 0.000 0.000 0.202 172 Q C 2.346 178.284 176.000 -0.103 0.000 0.980 172 Q CA 1.894 57.651 55.803 -0.077 0.000 0.840 172 Q CB -0.355 28.346 28.738 -0.061 0.000 0.898 172 Q HN 0.553 nan 8.270 nan 0.000 0.424 173 V N 1.402 121.270 119.914 -0.077 0.000 2.255 173 V HA -0.292 3.828 4.120 0.000 0.000 0.247 173 V C 2.302 178.336 176.094 -0.101 0.000 1.051 173 V CA 1.677 63.920 62.300 -0.095 0.000 1.018 173 V CB -0.716 31.078 31.823 -0.049 0.000 0.641 173 V HN 0.348 nan 8.190 nan 0.000 0.445 174 L N -0.416 120.761 121.223 -0.077 0.000 1.997 174 L HA -0.309 4.032 4.340 0.000 0.000 0.216 174 L C 2.675 179.501 176.870 -0.073 0.000 1.074 174 L CA 2.120 56.915 54.840 -0.074 0.000 0.763 174 L CB -0.713 41.304 42.059 -0.070 0.000 0.890 174 L HN 0.314 nan 8.230 nan 0.000 0.434 175 K N -0.152 120.203 120.400 -0.075 0.000 2.103 175 K HA -0.169 4.151 4.320 0.000 0.000 0.207 175 K C 2.065 178.603 176.600 -0.102 0.000 1.048 175 K CA 1.195 57.437 56.287 -0.076 0.000 0.930 175 K CB -0.222 32.232 32.500 -0.078 0.000 0.716 175 K HN 0.268 nan 8.250 nan 0.000 0.444 176 L N 0.875 121.996 121.223 -0.170 0.000 2.217 176 L HA -0.141 4.199 4.340 0.000 0.000 0.211 176 L C 1.887 178.668 176.870 -0.147 0.000 1.107 176 L CA 0.774 55.458 54.840 -0.260 0.000 0.783 176 L CB -0.094 41.580 42.059 -0.642 0.000 0.919 176 L HN 0.160 nan 8.230 nan 0.000 0.442 177 Q N 0.028 119.774 119.800 -0.090 0.000 2.282 177 Q HA 0.095 4.435 4.340 0.000 0.000 0.205 177 Q C 1.399 177.404 176.000 0.008 0.000 0.915 177 Q CA 0.732 56.520 55.803 -0.024 0.000 0.949 177 Q CB 0.499 29.219 28.738 -0.030 0.000 1.035 177 Q HN 0.562 nan 8.270 nan 0.000 0.484 178 G N 0.527 109.334 108.800 0.011 0.000 2.179 178 G HA2 -0.325 3.635 3.960 0.000 0.000 0.260 178 G HA3 -0.325 3.635 3.960 0.000 0.000 0.260 178 G C 0.465 175.348 174.900 -0.028 0.000 0.977 178 G CA 0.213 45.352 45.100 0.065 0.000 0.641 178 G HN 0.608 nan 8.290 nan 0.000 0.533 179 A N -0.730 122.060 122.820 -0.049 0.000 2.406 179 A HA 0.634 4.954 4.320 0.000 0.000 0.243 179 A C 0.500 178.043 177.584 -0.068 0.000 1.082 179 A CA 0.732 52.725 52.037 -0.073 0.000 0.786 179 A CB 0.972 19.934 19.000 -0.064 0.000 1.029 179 A HN 1.175 nan 8.150 nan 0.000 0.495 180 V N 3.490 123.371 119.914 -0.056 0.000 2.320 180 V HA 0.246 4.366 4.120 0.000 0.000 0.268 180 V C -2.486 173.673 176.094 0.110 0.000 1.021 180 V CA -1.268 61.022 62.300 -0.017 0.000 0.813 180 V CB 0.941 32.711 31.823 -0.088 0.000 1.054 180 V HN 0.724 nan 8.190 nan 0.000 0.444 181 P HA 0.150 nan 4.420 nan 0.000 0.267 181 P C 0.037 177.391 177.300 0.090 0.000 1.205 181 P CA 0.233 63.385 63.100 0.087 0.000 0.765 181 P CB 0.332 32.063 31.700 0.052 0.000 0.828 182 F N 2.485 122.340 119.950 -0.159 0.000 2.856 182 F HA 0.337 4.865 4.527 0.001 0.000 0.338 182 F C -0.397 175.318 175.800 -0.142 0.000 1.005 182 F CA -0.402 57.534 58.000 -0.107 0.000 1.155 182 F CB 0.031 39.083 39.000 0.086 0.000 1.010 182 F HN 0.087 nan 8.300 nan 0.000 0.587 183 V N -0.997 118.411 119.914 -0.845 0.000 2.841 183 V HA 0.539 4.660 4.120 0.000 0.000 0.310 183 V C -1.155 174.657 176.094 -0.470 0.000 1.090 183 V CA -0.953 60.977 62.300 -0.617 0.000 0.930 183 V CB 1.189 32.620 31.823 -0.653 0.000 1.014 183 V HN 0.294 nan 8.190 nan 0.000 0.425 184 H N 2.171 121.034 119.070 -0.345 0.000 2.580 184 H HA 0.626 5.182 4.556 0.001 0.000 0.322 184 H C 0.478 175.666 175.328 -0.234 0.000 1.082 184 H CA 0.242 56.141 56.048 -0.250 0.000 1.383 184 H CB 1.562 31.201 29.762 -0.205 0.000 1.450 184 H HN 1.032 nan 8.280 nan 0.000 0.505 185 T N 0.857 115.385 114.554 -0.044 0.000 2.925 185 T HA 0.182 4.532 4.350 0.000 0.000 0.285 185 T C 0.319 174.966 174.700 -0.087 0.000 1.021 185 T CA -1.187 60.859 62.100 -0.089 0.000 1.042 185 T CB 1.615 70.439 68.868 -0.073 0.000 1.037 185 T HN 0.453 nan 8.240 nan 0.000 0.481 186 N N 0.210 118.857 118.700 -0.089 0.000 2.415 186 N HA 0.447 5.187 4.740 0.000 0.000 0.248 186 N C -0.531 174.977 175.510 -0.004 0.000 1.271 186 N CA -0.093 52.918 53.050 -0.065 0.000 0.913 186 N CB 0.643 39.112 38.487 -0.029 0.000 1.129 186 N HN 0.871 nan 8.380 nan 0.000 0.444 187 V N -0.906 119.026 119.914 0.030 0.000 3.087 187 V HA 0.715 4.835 4.120 0.000 0.000 0.306 187 V C -2.767 173.372 176.094 0.075 0.000 1.187 187 V CA -1.962 60.366 62.300 0.048 0.000 0.999 187 V CB 1.906 33.753 31.823 0.041 0.000 1.049 187 V HN 0.619 nan 8.190 nan 0.000 0.431 188 P HA 0.101 nan 4.420 nan 0.000 0.269 188 P C -0.493 176.879 177.300 0.121 0.000 1.215 188 P CA 0.008 63.159 63.100 0.085 0.000 0.780 188 P CB 0.523 32.260 31.700 0.061 0.000 0.898 189 Q N 1.810 121.694 119.800 0.140 0.000 2.339 189 Q HA -0.003 4.338 4.340 0.000 0.000 0.308 189 Q C 0.708 176.829 176.000 0.200 0.000 1.097 189 Q CA 1.399 57.291 55.803 0.149 0.000 1.007 189 Q CB -0.355 28.504 28.738 0.202 0.000 1.051 189 Q HN 0.725 nan 8.270 nan 0.000 0.381 190 S N 3.124 118.879 115.700 0.090 0.000 2.596 190 S HA -0.333 4.137 4.470 0.000 0.000 0.260 190 S C 0.694 175.435 174.600 0.235 0.000 1.282 190 S CA 1.320 59.586 58.200 0.110 0.000 1.357 190 S CB -1.656 61.697 63.200 0.256 0.000 1.674 190 S HN 1.001 nan 8.310 nan 0.000 0.641 191 M N -2.620 117.106 119.600 0.210 0.000 2.920 191 M HA -0.220 4.260 4.480 0.000 0.000 0.186 191 M C 0.097 176.551 176.300 0.257 0.000 0.634 191 M CA 1.633 57.045 55.300 0.187 0.000 0.709 191 M CB -1.988 30.691 32.600 0.131 0.000 2.552 191 M HN 0.602 nan 8.290 nan 0.000 0.289 192 F N 2.516 122.611 119.950 0.242 0.000 2.573 192 F HA 0.587 5.114 4.527 0.000 0.000 0.349 192 F C 0.285 176.183 175.800 0.164 0.000 1.213 192 F CA 0.510 58.629 58.000 0.199 0.000 1.300 192 F CB 0.489 39.607 39.000 0.197 0.000 1.661 192 F HN 0.071 nan 8.300 nan 0.000 0.616 193 S N 3.562 119.148 115.700 -0.189 0.000 2.608 193 S HA 0.187 4.657 4.470 0.000 0.000 0.285 193 S C -0.686 173.838 174.600 -0.127 0.000 1.108 193 S CA -0.621 57.474 58.200 -0.175 0.000 0.858 193 S CB 0.067 63.236 63.200 -0.053 0.000 1.077 193 S HN 0.479 nan 8.310 nan 0.000 0.450 194 Y N 1.638 121.731 120.300 -0.345 0.000 2.658 194 Y HA 0.590 5.140 4.550 0.000 0.000 0.276 194 Y C 0.228 175.938 175.900 -0.318 0.000 1.167 194 Y CA -0.589 57.246 58.100 -0.441 0.000 1.230 194 Y CB 0.028 37.852 38.460 -1.060 0.000 1.144 194 Y HN 0.512 nan 8.280 nan 0.000 0.529 195 D N -0.035 120.173 120.400 -0.320 0.000 2.567 195 D HA 0.303 4.943 4.640 0.000 0.000 0.275 195 D C -0.694 175.569 176.300 -0.062 0.000 1.195 195 D CA -0.790 53.102 54.000 -0.180 0.000 1.087 195 D CB 2.022 42.706 40.800 -0.194 0.000 1.165 195 D HN 0.180 nan 8.370 nan 0.000 0.609 196 C N 1.255 120.543 119.300 -0.020 0.000 3.235 196 C HA 0.545 5.005 4.460 0.000 0.000 0.198 196 C C -0.787 174.221 174.990 0.031 0.000 1.527 196 C CA -0.246 58.782 59.018 0.016 0.000 1.167 196 C CB -1.533 26.224 27.740 0.029 0.000 1.938 196 C HN 0.355 nan 8.230 nan 0.000 0.593 197 S N 2.452 118.171 115.700 0.032 0.000 2.548 197 S HA 0.882 5.353 4.470 0.000 0.000 0.286 197 S C -0.845 173.797 174.600 0.069 0.000 1.098 197 S CA -0.328 57.900 58.200 0.045 0.000 0.930 197 S CB 1.324 64.536 63.200 0.021 0.000 1.070 197 S HN 0.906 nan 8.310 nan 0.000 0.480 198 N N 1.931 120.678 118.700 0.079 0.000 2.494 198 N HA 0.561 5.302 4.740 0.000 0.000 0.270 198 N C -2.845 172.684 175.510 0.032 0.000 1.285 198 N CA -1.497 51.601 53.050 0.081 0.000 0.812 198 N CB 1.179 39.733 38.487 0.112 0.000 1.557 198 N HN 0.183 nan 8.380 nan 0.000 0.487 199 P HA -0.004 nan 4.420 nan 0.000 0.225 199 P C 0.709 177.937 177.300 -0.120 0.000 1.148 199 P CA 0.866 63.931 63.100 -0.057 0.000 0.779 199 P CB 0.278 31.991 31.700 0.022 0.000 0.780 200 L N -2.548 118.572 121.223 -0.171 0.000 2.056 200 L HA 0.021 4.361 4.340 0.000 0.000 0.202 200 L C 1.871 178.435 176.870 -0.510 0.000 1.086 200 L CA 1.400 55.977 54.840 -0.438 0.000 0.758 200 L CB -0.921 40.711 42.059 -0.712 0.000 0.912 200 L HN -0.127 nan 8.230 nan 0.000 0.446 201 F N -0.225 119.729 119.950 0.007 0.000 2.727 201 F HA 0.388 4.916 4.527 0.001 0.000 0.302 201 F C 1.461 177.257 175.800 -0.007 0.000 1.097 201 F CA 0.295 58.298 58.000 0.004 0.000 1.330 201 F CB -0.127 38.881 39.000 0.012 0.000 1.084 201 F HN 0.231 nan 8.300 nan 0.000 0.578 202 G N 0.839 109.700 108.800 0.102 0.000 2.542 202 G HA2 -0.299 3.661 3.960 0.000 0.000 0.235 202 G HA3 -0.299 3.661 3.960 0.000 0.000 0.235 202 G C -0.642 174.297 174.900 0.065 0.000 1.286 202 G CA -0.525 44.606 45.100 0.052 0.000 0.904 202 G HN 0.337 nan 8.290 nan 0.000 0.577 203 Q N 0.134 119.956 119.800 0.036 0.000 2.314 203 Q HA 0.628 4.968 4.340 0.000 0.000 0.259 203 Q C 0.026 176.042 176.000 0.027 0.000 0.951 203 Q CA -0.087 55.732 55.803 0.027 0.000 0.909 203 Q CB 0.933 29.676 28.738 0.008 0.000 1.236 203 Q HN 0.676 nan 8.270 nan 0.000 0.444 204 T N 4.920 119.492 114.554 0.031 0.000 2.889 204 T HA 0.457 4.807 4.350 0.000 0.000 0.291 204 T C -0.145 174.574 174.700 0.031 0.000 0.995 204 T CA -0.239 61.876 62.100 0.026 0.000 1.092 204 T CB 0.568 69.453 68.868 0.028 0.000 0.954 204 T HN 0.599 nan 8.240 nan 0.000 0.506 205 M N 2.506 122.123 119.600 0.029 0.000 2.664 205 M HA 0.381 4.861 4.480 0.000 0.000 0.314 205 M C 0.370 176.709 176.300 0.065 0.000 1.200 205 M CA -1.020 54.303 55.300 0.039 0.000 0.916 205 M CB 1.269 33.880 32.600 0.019 0.000 1.717 205 M HN 0.424 nan 8.290 nan 0.000 0.470 206 N N 2.829 121.585 118.700 0.094 0.000 2.483 206 N HA 0.130 4.870 4.740 0.000 0.000 0.264 206 N C -1.912 173.674 175.510 0.126 0.000 1.197 206 N CA -1.135 52.005 53.050 0.149 0.000 0.927 206 N CB 1.155 39.750 38.487 0.180 0.000 1.065 206 N HN 0.367 nan 8.380 nan 0.000 0.461 207 P HA -0.034 nan 4.420 nan 0.000 0.226 207 P C 0.710 177.979 177.300 -0.051 0.000 1.153 207 P CA 1.008 64.100 63.100 -0.013 0.000 0.777 207 P CB 0.021 31.663 31.700 -0.096 0.000 0.794 208 W N 0.975 122.280 121.300 0.009 0.000 2.576 208 W HA 0.187 4.847 4.660 0.000 0.000 0.270 208 W C 0.977 177.491 176.519 -0.009 0.000 1.255 208 W CA 0.466 57.811 57.345 0.001 0.000 1.314 208 W CB 0.166 29.627 29.460 0.001 0.000 1.101 208 W HN -0.108 nan 8.180 nan 0.000 0.595 209 K N -0.137 120.382 120.400 0.198 0.000 2.610 209 K HA 0.075 4.395 4.320 0.000 0.000 0.274 209 K C 0.684 177.324 176.600 0.066 0.000 1.049 209 K CA 0.230 56.580 56.287 0.105 0.000 0.945 209 K CB 0.845 33.399 32.500 0.091 0.000 1.313 209 K HN -0.136 nan 8.250 nan 0.000 0.463 210 S N 1.024 116.746 115.700 0.036 0.000 2.474 210 S HA -0.136 4.334 4.470 0.000 0.000 0.235 210 S C 1.393 176.001 174.600 0.014 0.000 0.997 210 S CA 1.302 59.514 58.200 0.021 0.000 0.949 210 S CB -0.198 63.004 63.200 0.004 0.000 0.766 210 S HN 0.617 nan 8.310 nan 0.000 0.517 211 S N 0.415 116.121 115.700 0.010 0.000 2.562 211 S HA 0.230 4.700 4.470 0.000 0.000 0.221 211 S C 0.519 175.117 174.600 -0.005 0.000 0.975 211 S CA -0.279 57.920 58.200 -0.002 0.000 0.918 211 S CB -0.158 63.037 63.200 -0.008 0.000 0.772 211 S HN 0.231 nan 8.310 nan 0.000 0.531 212 K N 1.922 122.327 120.400 0.009 0.000 2.118 212 K HA 0.453 4.774 4.320 0.000 0.000 0.254 212 K C -0.197 176.428 176.600 0.042 0.000 0.961 212 K CA -0.397 55.891 56.287 0.002 0.000 0.876 212 K CB 1.651 34.145 32.500 -0.011 0.000 1.077 212 K HN 0.177 nan 8.250 nan 0.000 0.440 213 S N 2.179 117.915 115.700 0.059 0.000 2.576 213 S HA 0.165 4.635 4.470 0.000 0.000 0.276 213 S C -1.546 173.201 174.600 0.246 0.000 1.339 213 S CA -1.170 57.108 58.200 0.131 0.000 1.039 213 S CB 0.436 63.727 63.200 0.152 0.000 0.902 213 S HN 0.327 nan 8.310 nan 0.000 0.516 214 P HA 0.213 nan 4.420 nan 0.000 0.249 214 P C 0.824 178.292 177.300 0.280 0.000 1.229 214 P CA 0.656 63.904 63.100 0.246 0.000 0.788 214 P CB -0.757 31.031 31.700 0.146 0.000 1.072 215 G N -0.721 108.251 108.800 0.287 0.000 2.782 215 G HA2 0.223 4.183 3.960 0.000 0.000 0.228 215 G HA3 0.223 4.183 3.960 0.000 0.000 0.228 215 G C -0.190 174.689 174.900 -0.034 0.000 1.372 215 G CA -0.535 44.515 45.100 -0.084 0.000 0.862 215 G HN 0.661 nan 8.290 nan 0.000 0.547 216 G N -2.883 105.889 108.800 -0.048 0.000 2.324 216 G HA2 0.665 4.625 3.960 0.000 0.000 0.293 216 G HA3 0.665 4.625 3.960 0.000 0.000 0.293 216 G C 0.621 175.569 174.900 0.080 0.000 1.297 216 G CA 0.880 45.996 45.100 0.028 0.000 0.853 216 G HN 2.248 nan 8.290 nan 0.000 0.535 217 S N -1.598 114.150 115.700 0.079 0.000 2.511 217 S HA 0.234 4.704 4.470 0.000 0.000 0.214 217 S C 1.158 175.793 174.600 0.058 0.000 0.997 217 S CA 1.024 59.258 58.200 0.058 0.000 0.908 217 S CB 0.452 63.693 63.200 0.069 0.000 0.803 217 S HN 0.779 nan 8.310 nan 0.000 0.504 218 S N 1.918 117.658 115.700 0.066 0.000 2.849 218 S HA 0.392 4.862 4.470 0.000 0.000 0.244 218 S C 1.439 176.072 174.600 0.055 0.000 1.297 218 S CA -0.083 58.158 58.200 0.067 0.000 1.241 218 S CB 0.027 63.276 63.200 0.081 0.000 0.958 218 S HN 0.674 nan 8.310 nan 0.000 0.489 219 G N 1.868 110.696 108.800 0.047 0.000 2.396 219 G HA2 0.010 3.970 3.960 0.000 0.000 0.214 219 G HA3 0.010 3.970 3.960 0.000 0.000 0.214 219 G C 1.406 176.333 174.900 0.045 0.000 1.166 219 G CA 0.473 45.603 45.100 0.050 0.000 0.793 219 G HN 0.583 nan 8.290 nan 0.000 0.533 220 G N 0.956 109.772 108.800 0.026 0.000 2.491 220 G HA2 -0.222 3.738 3.960 0.000 0.000 0.218 220 G HA3 -0.222 3.738 3.960 0.000 0.000 0.218 220 G C 1.647 176.551 174.900 0.007 0.000 1.180 220 G CA 1.281 46.384 45.100 0.005 0.000 0.774 220 G HN 0.340 nan 8.290 nan 0.000 0.562 221 E N 0.628 120.836 120.200 0.014 0.000 2.058 221 E HA -0.096 4.254 4.350 0.000 0.000 0.194 221 E C 2.798 179.421 176.600 0.039 0.000 0.997 221 E CA 1.146 57.554 56.400 0.015 0.000 0.801 221 E CB -1.055 28.659 29.700 0.024 0.000 0.746 221 E HN 0.358 nan 8.360 nan 0.000 0.450 222 G N 0.989 109.825 108.800 0.059 0.000 2.440 222 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 222 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 222 G C 1.726 176.690 174.900 0.106 0.000 1.154 222 G CA 1.453 46.607 45.100 0.090 0.000 0.767 222 G HN 0.411 nan 8.290 nan 0.000 0.552 223 A N 0.080 122.951 122.820 0.085 0.000 1.897 223 A HA 0.192 4.512 4.320 0.000 0.000 0.215 223 A C 2.333 179.946 177.584 0.047 0.000 1.181 223 A CA 1.512 53.595 52.037 0.077 0.000 0.620 223 A CB -0.391 18.642 19.000 0.055 0.000 0.821 223 A HN 0.377 nan 8.150 nan 0.000 0.443 224 L N 0.038 121.282 121.223 0.033 0.000 2.005 224 L HA -0.049 4.292 4.340 0.000 0.000 0.207 224 L C 2.241 179.146 176.870 0.058 0.000 1.072 224 L CA 1.789 56.647 54.840 0.031 0.000 0.744 224 L CB -0.429 41.634 42.059 0.006 0.000 0.895 224 L HN 0.422 nan 8.230 nan 0.000 0.433 225 I N -0.715 119.891 120.570 0.060 0.000 2.315 225 I HA -0.167 4.003 4.170 0.000 0.000 0.248 225 I C 2.377 178.545 176.117 0.085 0.000 1.117 225 I CA 1.171 62.514 61.300 0.073 0.000 1.404 225 I CB -0.986 37.047 38.000 0.056 0.000 1.071 225 I HN 0.399 nan 8.210 nan 0.000 0.419 226 G N 0.211 109.068 108.800 0.096 0.000 2.471 226 G HA2 -0.194 3.767 3.960 0.000 0.000 0.219 226 G HA3 -0.194 3.767 3.960 0.000 0.000 0.219 226 G C 1.541 176.459 174.900 0.029 0.000 1.125 226 G CA 0.976 46.153 45.100 0.128 0.000 0.775 226 G HN 0.519 nan 8.290 nan 0.000 0.548 227 S N -1.341 114.353 115.700 -0.010 0.000 2.557 227 S HA 0.443 4.913 4.470 0.000 0.000 0.223 227 S C 1.525 176.102 174.600 -0.038 0.000 0.969 227 S CA 0.762 58.910 58.200 -0.086 0.000 0.927 227 S CB 0.434 63.578 63.200 -0.093 0.000 0.806 227 S HN 1.383 nan 8.310 nan 0.000 0.489 228 G N 0.475 109.291 108.800 0.027 0.000 2.159 228 G HA2 -0.156 3.804 3.960 0.000 0.000 0.227 228 G HA3 -0.156 3.804 3.960 0.000 0.000 0.227 228 G C 0.754 175.748 174.900 0.157 0.000 0.986 228 G CA -0.124 45.017 45.100 0.069 0.000 0.651 228 G HN 0.945 nan 8.290 nan 0.000 0.523 229 G N -0.641 108.257 108.800 0.163 0.000 2.985 229 G HA2 0.476 4.437 3.960 0.000 0.000 0.209 229 G HA3 0.476 4.437 3.960 0.000 0.000 0.209 229 G C 0.384 175.516 174.900 0.387 0.000 1.165 229 G CA 1.423 46.665 45.100 0.237 0.000 0.776 229 G HN 1.567 nan 8.290 nan 0.000 0.541 230 S N -0.429 115.449 115.700 0.297 0.000 2.563 230 S HA 0.485 4.955 4.470 0.000 0.000 0.279 230 S C -2.507 172.064 174.600 -0.048 0.000 1.155 230 S CA -0.780 57.475 58.200 0.091 0.000 0.928 230 S CB 2.324 65.609 63.200 0.141 0.000 1.107 230 S HN -0.093 nan 8.310 nan 0.000 0.462 231 P HA 0.285 nan 4.420 nan 0.000 0.240 231 P C -0.186 177.050 177.300 -0.107 0.000 1.190 231 P CA 0.151 63.142 63.100 -0.181 0.000 0.781 231 P CB 0.082 31.588 31.700 -0.323 0.000 0.931 232 L N -1.162 119.997 121.223 -0.106 0.000 2.592 232 L HA 0.766 5.107 4.340 0.000 0.000 0.258 232 L C -1.309 175.519 176.870 -0.071 0.000 0.926 232 L CA -0.447 54.345 54.840 -0.079 0.000 0.885 232 L CB 1.796 43.797 42.059 -0.097 0.000 1.380 232 L HN -0.005 nan 8.230 nan 0.000 0.415 233 G N 3.444 112.200 108.800 -0.073 0.000 2.690 233 G HA2 0.668 4.628 3.960 0.000 0.000 0.291 233 G HA3 0.668 4.628 3.960 0.000 0.000 0.291 233 G C -2.141 172.684 174.900 -0.124 0.000 1.403 233 G CA -0.754 44.287 45.100 -0.099 0.000 0.864 233 G HN 0.643 nan 8.290 nan 0.000 0.480 234 L N 0.514 121.607 121.223 -0.217 0.000 2.329 234 L HA 0.786 5.126 4.340 0.000 0.000 0.279 234 L C 0.771 177.618 176.870 -0.038 0.000 1.014 234 L CA -0.654 54.032 54.840 -0.256 0.000 0.814 234 L CB 2.090 43.717 42.059 -0.720 0.000 1.257 234 L HN 0.765 nan 8.230 nan 0.000 0.424 235 G N 0.449 109.353 108.800 0.174 0.000 3.042 235 G HA2 0.786 4.746 3.960 0.000 0.000 0.278 235 G HA3 0.786 4.746 3.960 0.000 0.000 0.278 235 G C -0.910 174.198 174.900 0.347 0.000 1.371 235 G CA -0.313 44.974 45.100 0.311 0.000 1.009 235 G HN 0.521 nan 8.290 nan 0.000 0.523 236 T N -2.367 112.299 114.554 0.187 0.000 2.887 236 T HA 0.699 5.049 4.350 0.000 0.000 0.292 236 T C -1.829 172.913 174.700 0.069 0.000 1.087 236 T CA -0.759 61.397 62.100 0.094 0.000 1.009 236 T CB 2.684 71.538 68.868 -0.025 0.000 1.203 236 T HN 0.517 nan 8.240 nan 0.000 0.518 237 D N 0.065 120.496 120.400 0.052 0.000 2.688 237 D HA 0.298 4.938 4.640 0.000 0.000 0.210 237 D C -0.387 175.937 176.300 0.040 0.000 1.333 237 D CA -0.475 53.553 54.000 0.046 0.000 0.920 237 D CB 1.900 42.719 40.800 0.032 0.000 1.554 237 D HN 0.622 nan 8.370 nan 0.000 0.579 238 I N 1.660 122.262 120.570 0.054 0.000 4.244 238 I HA 0.283 4.453 4.170 0.000 0.000 0.318 238 I C 1.360 177.509 176.117 0.053 0.000 1.282 238 I CA 0.259 61.590 61.300 0.052 0.000 1.276 238 I CB 0.867 38.913 38.000 0.077 0.000 1.183 238 I HN 0.454 nan 8.210 nan 0.000 0.431 239 G N -0.647 108.190 108.800 0.062 0.000 3.651 239 G HA2 0.400 4.360 3.960 0.000 0.000 0.267 239 G HA3 0.400 4.360 3.960 0.000 0.000 0.267 239 G C 0.792 175.725 174.900 0.055 0.000 1.009 239 G CA 0.491 45.624 45.100 0.056 0.000 0.866 239 G HN 0.426 nan 8.290 nan 0.000 0.488 240 G N -0.211 108.589 108.800 0.001 0.000 2.507 240 G HA2 -0.155 3.805 3.960 0.000 0.000 0.205 240 G HA3 -0.155 3.805 3.960 0.000 0.000 0.205 240 G C 1.006 175.869 174.900 -0.063 0.000 0.996 240 G CA 0.479 45.426 45.100 -0.256 0.000 0.776 240 G HN 0.214 nan 8.290 nan 0.000 0.532 241 S N -0.104 115.655 115.700 0.099 0.000 2.547 241 S HA 0.181 4.652 4.470 0.000 0.000 0.235 241 S C 2.061 176.707 174.600 0.076 0.000 0.980 241 S CA 0.903 59.185 58.200 0.137 0.000 0.941 241 S CB -0.033 63.232 63.200 0.107 0.000 0.763 241 S HN 0.524 nan 8.310 nan 0.000 0.532 242 I N 0.270 120.856 120.570 0.026 0.000 2.867 242 I HA 0.048 4.218 4.170 0.000 0.000 0.265 242 I C 2.355 178.456 176.117 -0.027 0.000 1.162 242 I CA 0.543 61.853 61.300 0.018 0.000 1.471 242 I CB 0.087 38.101 38.000 0.023 0.000 1.123 242 I HN 0.113 nan 8.210 nan 0.000 0.440 243 R N -0.217 120.216 120.500 -0.112 0.000 2.112 243 R HA 0.039 4.379 4.340 0.000 0.000 0.216 243 R C 2.156 178.327 176.300 -0.215 0.000 1.080 243 R CA 0.958 56.951 56.100 -0.177 0.000 0.996 243 R CB -0.229 29.918 30.300 -0.255 0.000 0.902 243 R HN 0.095 nan 8.270 nan 0.000 0.449 244 F N 1.670 121.500 119.950 -0.201 0.000 2.069 244 F HA -0.133 4.394 4.527 0.000 0.000 0.298 244 F C -0.573 174.932 175.800 -0.491 0.000 1.113 244 F CA 1.224 58.945 58.000 -0.465 0.000 1.214 244 F CB -1.513 37.155 39.000 -0.553 0.000 0.978 244 F HN 0.036 nan 8.300 nan 0.000 0.474 245 P HA -0.070 nan 4.420 nan 0.000 0.217 245 P C 1.641 178.987 177.300 0.076 0.000 1.151 245 P CA 1.622 64.722 63.100 0.000 0.000 0.828 245 P CB -0.053 31.670 31.700 0.039 0.000 0.788 246 S N 0.543 116.272 115.700 0.048 0.000 2.353 246 S HA -0.132 4.338 4.470 0.000 0.000 0.222 246 S C 2.252 176.908 174.600 0.094 0.000 1.035 246 S CA 1.618 59.856 58.200 0.064 0.000 1.025 246 S CB -1.121 62.095 63.200 0.026 0.000 0.902 246 S HN 0.201 nan 8.310 nan 0.000 0.440 247 A N 1.177 124.053 122.820 0.092 0.000 1.877 247 A HA -0.049 4.271 4.320 0.000 0.000 0.216 247 A C 1.849 179.604 177.584 0.286 0.000 1.186 247 A CA 1.428 53.558 52.037 0.155 0.000 0.620 247 A CB -0.855 18.247 19.000 0.171 0.000 0.822 247 A HN 0.447 nan 8.150 nan 0.000 0.443 248 F N -0.469 119.514 119.950 0.055 0.000 2.234 248 F HA -0.107 4.421 4.527 0.000 0.000 0.299 248 F C 2.245 178.055 175.800 0.017 0.000 1.087 248 F CA 0.119 58.142 58.000 0.038 0.000 1.340 248 F CB -1.022 38.037 39.000 0.097 0.000 1.031 248 F HN 0.227 nan 8.300 nan 0.000 0.500 249 C N -0.569 118.898 119.300 0.279 0.000 2.855 249 C HA 0.533 4.993 4.460 0.000 0.000 0.279 249 C C 1.663 176.850 174.990 0.328 0.000 1.270 249 C CA 0.180 59.389 59.018 0.318 0.000 1.702 249 C CB -0.928 26.993 27.740 0.301 0.000 1.949 249 C HN 0.704 nan 8.230 nan 0.000 0.618 250 G N 2.153 111.028 108.800 0.126 0.000 2.225 250 G HA2 -0.226 3.734 3.960 0.000 0.000 0.264 250 G HA3 -0.226 3.734 3.960 0.000 0.000 0.264 250 G C -0.191 174.799 174.900 0.150 0.000 1.060 250 G CA 0.734 45.888 45.100 0.090 0.000 0.833 250 G HN 0.769 nan 8.290 nan 0.000 0.498 251 I N -4.131 116.511 120.570 0.119 0.000 3.457 251 I HA 0.858 5.028 4.170 0.000 0.000 0.307 251 I C 0.300 176.450 176.117 0.054 0.000 1.138 251 I CA -1.718 59.639 61.300 0.095 0.000 0.974 251 I CB 1.632 39.695 38.000 0.105 0.000 1.324 251 I HN 0.043 nan 8.210 nan 0.000 0.485 252 C N 1.062 120.386 119.300 0.041 0.000 2.366 252 C HA 0.933 5.393 4.460 0.000 0.000 0.345 252 C C 0.455 175.454 174.990 0.016 0.000 1.209 252 C CA -0.148 58.882 59.018 0.020 0.000 2.050 252 C CB 0.346 28.096 27.740 0.016 0.000 2.359 252 C HN 0.987 nan 8.230 nan 0.000 0.527 253 G N 1.434 110.238 108.800 0.006 0.000 2.706 253 G HA2 0.625 4.585 3.960 0.000 0.000 0.297 253 G HA3 0.625 4.585 3.960 0.000 0.000 0.297 253 G C -2.085 172.816 174.900 0.003 0.000 1.403 253 G CA -0.300 44.803 45.100 0.005 0.000 0.954 253 G HN 0.610 nan 8.290 nan 0.000 0.500 254 L N 0.811 122.041 121.223 0.012 0.000 2.381 254 L HA 0.672 5.013 4.340 0.000 0.000 0.274 254 L C -0.244 176.641 176.870 0.026 0.000 0.988 254 L CA -1.024 53.828 54.840 0.020 0.000 0.824 254 L CB 1.848 43.926 42.059 0.033 0.000 1.263 254 L HN 0.461 nan 8.230 nan 0.000 0.410 255 K N 7.131 127.544 120.400 0.022 0.000 2.299 255 K HA 0.504 4.824 4.320 0.000 0.000 0.268 255 K C -2.530 174.086 176.600 0.027 0.000 1.075 255 K CA -1.712 54.592 56.287 0.028 0.000 0.936 255 K CB 1.028 33.540 32.500 0.021 0.000 1.228 255 K HN 0.387 nan 8.250 nan 0.000 0.454 256 P HA 0.045 nan 4.420 nan 0.000 0.274 256 P C -0.660 176.611 177.300 -0.048 0.000 1.260 256 P CA -0.349 62.757 63.100 0.010 0.000 0.793 256 P CB 0.317 32.045 31.700 0.047 0.000 1.048 257 T N 0.383 114.846 114.554 -0.152 0.000 2.946 257 T HA 0.054 4.404 4.350 0.000 0.000 0.312 257 T C 1.908 176.481 174.700 -0.212 0.000 1.066 257 T CA 0.830 62.733 62.100 -0.329 0.000 1.138 257 T CB -0.072 68.278 68.868 -0.864 0.000 1.014 257 T HN 0.586 nan 8.240 nan 0.000 0.544 258 G N 1.986 110.684 108.800 -0.170 0.000 2.440 258 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 258 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 258 G C 1.293 176.200 174.900 0.012 0.000 1.154 258 G CA 0.481 45.552 45.100 -0.049 0.000 0.767 258 G HN 0.659 nan 8.290 nan 0.000 0.552 259 N N -0.555 118.156 118.700 0.017 0.000 2.295 259 N HA 0.118 4.858 4.740 0.000 0.000 0.221 259 N C 1.718 177.437 175.510 0.349 0.000 1.129 259 N CA -0.196 52.970 53.050 0.194 0.000 0.836 259 N CB 0.084 38.741 38.487 0.284 0.000 1.040 259 N HN 0.164 nan 8.380 nan 0.000 0.494 260 R N -0.356 120.299 120.500 0.259 0.000 2.090 260 R HA 0.234 4.574 4.340 0.000 0.000 0.228 260 R C -0.081 176.399 176.300 0.301 0.000 1.110 260 R CA 1.134 57.465 56.100 0.384 0.000 0.973 260 R CB 0.102 30.564 30.300 0.269 0.000 0.869 260 R HN 0.175 nan 8.270 nan 0.000 0.440 261 L N -0.272 121.080 121.223 0.216 0.000 2.333 261 L HA 0.385 4.725 4.340 0.000 0.000 0.269 261 L C -0.251 176.723 176.870 0.174 0.000 1.010 261 L CA -1.103 53.852 54.840 0.191 0.000 0.818 261 L CB 1.864 44.016 42.059 0.154 0.000 1.306 261 L HN -0.048 nan 8.230 nan 0.000 0.430 262 S N 0.674 116.473 115.700 0.165 0.000 2.510 262 S HA 0.124 4.594 4.470 0.000 0.000 0.279 262 S C 0.636 175.315 174.600 0.131 0.000 1.284 262 S CA -0.223 58.064 58.200 0.145 0.000 1.059 262 S CB 0.401 63.681 63.200 0.133 0.000 0.901 262 S HN 0.625 nan 8.310 nan 0.000 0.491 263 K N 2.830 123.293 120.400 0.105 0.000 2.404 263 K HA 0.109 4.429 4.320 0.000 0.000 0.194 263 K C 0.484 177.123 176.600 0.065 0.000 1.023 263 K CA -0.089 56.242 56.287 0.074 0.000 1.094 263 K CB 0.298 32.830 32.500 0.053 0.000 0.841 263 K HN 0.522 nan 8.250 nan 0.000 0.523 264 S N 0.281 116.029 115.700 0.079 0.000 2.515 264 S HA 0.214 4.684 4.470 0.000 0.000 0.285 264 S C 1.132 175.771 174.600 0.066 0.000 1.265 264 S CA 0.911 59.152 58.200 0.068 0.000 1.079 264 S CB 0.209 63.451 63.200 0.070 0.000 0.877 264 S HN 0.647 nan 8.310 nan 0.000 0.493 265 G N 3.487 112.319 108.800 0.053 0.000 2.175 265 G HA2 -0.201 3.759 3.960 0.000 0.000 0.244 265 G HA3 -0.201 3.759 3.960 0.000 0.000 0.244 265 G C -0.157 174.769 174.900 0.042 0.000 0.982 265 G CA 0.010 45.142 45.100 0.052 0.000 0.641 265 G HN 0.684 nan 8.290 nan 0.000 0.527 266 L N 0.826 122.056 121.223 0.011 0.000 2.416 266 L HA 0.578 4.919 4.340 0.000 0.000 0.272 266 L C 0.748 177.600 176.870 -0.030 0.000 1.161 266 L CA -0.220 54.577 54.840 -0.072 0.000 0.845 266 L CB 1.107 43.068 42.059 -0.162 0.000 1.119 266 L HN 0.242 nan 8.230 nan 0.000 0.464 267 K N 1.592 121.962 120.400 -0.051 0.000 2.276 267 K HA 0.625 4.945 4.320 0.000 0.000 0.283 267 K C -0.100 176.489 176.600 -0.017 0.000 1.044 267 K CA 0.137 56.423 56.287 -0.001 0.000 0.944 267 K CB 0.851 33.346 32.500 -0.009 0.000 1.012 267 K HN 0.707 nan 8.250 nan 0.000 0.472 268 G N 0.948 109.773 108.800 0.042 0.000 2.766 268 G HA2 0.357 4.318 3.960 0.000 0.000 0.288 268 G HA3 0.357 4.318 3.960 0.000 0.000 0.288 268 G C -0.208 174.628 174.900 -0.106 0.000 1.408 268 G CA -0.365 44.713 45.100 -0.037 0.000 0.852 268 G HN 0.830 nan 8.290 nan 0.000 0.487 269 C N -1.502 117.645 119.300 -0.254 0.000 3.491 269 C HA 0.647 5.107 4.460 0.000 0.000 0.298 269 C C 0.075 174.677 174.990 -0.646 0.000 1.424 269 C CA -0.651 58.153 59.018 -0.358 0.000 1.772 269 C CB -0.722 26.921 27.740 -0.162 0.000 2.447 269 C HN 0.364 nan 8.230 nan 0.000 0.670 270 V N 1.677 121.169 119.914 -0.704 0.000 2.531 270 V HA 0.511 4.631 4.120 0.000 0.000 0.301 270 V C -1.506 174.213 176.094 -0.626 0.000 1.034 270 V CA -0.227 61.739 62.300 -0.556 0.000 0.865 270 V CB 1.415 33.116 31.823 -0.203 0.000 0.995 270 V HN 0.370 nan 8.190 nan 0.000 0.424 271 Y N 1.629 121.943 120.300 0.022 0.000 2.341 271 Y HA 0.683 5.233 4.550 0.000 0.000 0.338 271 Y C 1.052 176.962 175.900 0.016 0.000 0.965 271 Y CA -0.301 57.808 58.100 0.016 0.000 1.108 271 Y CB 1.967 40.437 38.460 0.016 0.000 1.180 271 Y HN 0.862 nan 8.280 nan 0.000 0.458 272 G N 1.696 110.577 108.800 0.134 0.000 2.141 272 G HA2 -0.247 3.713 3.960 0.000 0.000 0.242 272 G HA3 -0.247 3.713 3.960 0.000 0.000 0.242 272 G C -0.089 174.842 174.900 0.051 0.000 0.982 272 G CA -0.375 44.780 45.100 0.092 0.000 0.662 272 G HN 0.519 nan 8.290 nan 0.000 0.527 273 Q N 1.367 121.174 119.800 0.013 0.000 2.406 273 Q HA 0.467 4.807 4.340 0.000 0.000 0.242 273 Q C 1.374 177.365 176.000 -0.014 0.000 1.036 273 Q CA 0.712 56.503 55.803 -0.021 0.000 0.904 273 Q CB 0.598 29.285 28.738 -0.085 0.000 1.244 273 Q HN 0.571 nan 8.270 nan 0.000 0.478 274 T N -0.553 114.006 114.554 0.009 0.000 3.023 274 T HA 0.255 4.605 4.350 0.000 0.000 0.253 274 T C 1.481 176.187 174.700 0.010 0.000 1.038 274 T CA 0.441 62.551 62.100 0.017 0.000 0.962 274 T CB 0.369 69.261 68.868 0.039 0.000 1.018 274 T HN 0.360 nan 8.240 nan 0.000 0.521 275 A N 1.655 124.474 122.820 -0.001 0.000 1.883 275 A HA 0.227 4.547 4.320 0.000 0.000 0.217 275 A C 1.176 178.742 177.584 -0.031 0.000 1.186 275 A CA 1.130 53.160 52.037 -0.011 0.000 0.624 275 A CB -0.597 18.389 19.000 -0.023 0.000 0.822 275 A HN 0.467 nan 8.150 nan 0.000 0.444 276 V N 1.378 121.262 119.914 -0.051 0.000 2.325 276 V HA 0.251 4.371 4.120 0.000 0.000 0.280 276 V C -0.867 175.204 176.094 -0.039 0.000 1.016 276 V CA -0.606 61.662 62.300 -0.053 0.000 0.818 276 V CB 0.817 32.594 31.823 -0.077 0.000 1.019 276 V HN 0.567 nan 8.190 nan 0.000 0.434 277 Q N 2.969 122.757 119.800 -0.020 0.000 2.299 277 Q HA 0.505 4.845 4.340 0.000 0.000 0.246 277 Q C -0.310 175.687 176.000 -0.005 0.000 0.935 277 Q CA -0.687 55.111 55.803 -0.009 0.000 0.887 277 Q CB 1.443 30.184 28.738 0.004 0.000 1.223 277 Q HN 0.539 nan 8.270 nan 0.000 0.439 278 L N 1.202 122.424 121.223 -0.001 0.000 2.461 278 L HA 0.247 4.587 4.340 0.000 0.000 0.272 278 L C -0.333 176.546 176.870 0.015 0.000 1.197 278 L CA 0.887 55.731 54.840 0.007 0.000 0.836 278 L CB 1.181 43.239 42.059 -0.002 0.000 1.105 278 L HN 0.659 nan 8.230 nan 0.000 0.477 279 S N 3.155 118.870 115.700 0.024 0.000 2.548 279 S HA 0.796 5.266 4.470 0.000 0.000 0.286 279 S C -1.096 173.542 174.600 0.064 0.000 1.098 279 S CA -0.779 57.444 58.200 0.037 0.000 0.930 279 S CB 1.122 64.336 63.200 0.024 0.000 1.070 279 S HN 0.648 nan 8.310 nan 0.000 0.480 280 L N 1.907 123.190 121.223 0.099 0.000 2.342 280 L HA 1.127 5.467 4.340 0.000 0.000 0.271 280 L C -0.005 176.956 176.870 0.153 0.000 1.008 280 L CA -0.201 54.745 54.840 0.176 0.000 0.818 280 L CB 1.490 43.708 42.059 0.267 0.000 1.296 280 L HN 0.758 nan 8.230 nan 0.000 0.427 281 G N 1.026 109.919 108.800 0.155 0.000 2.576 281 G HA2 0.617 4.577 3.960 0.000 0.000 0.290 281 G HA3 0.617 4.577 3.960 0.000 0.000 0.290 281 G C -3.395 171.533 174.900 0.047 0.000 1.442 281 G CA -0.909 44.241 45.100 0.084 0.000 0.792 281 G HN 0.594 nan 8.290 nan 0.000 0.491 282 P HA 0.548 nan 4.420 nan 0.000 0.279 282 P C -0.806 176.490 177.300 -0.008 0.000 1.252 282 P CA -0.370 62.717 63.100 -0.023 0.000 0.811 282 P CB 1.518 33.190 31.700 -0.045 0.000 1.035 283 M N 1.244 120.834 119.600 -0.016 0.000 2.457 283 M HA 0.726 5.206 4.480 0.000 0.000 0.300 283 M C -0.539 175.757 176.300 -0.007 0.000 1.141 283 M CA -0.359 54.941 55.300 -0.000 0.000 0.901 283 M CB 2.686 35.293 32.600 0.013 0.000 1.687 283 M HN 0.523 nan 8.290 nan 0.000 0.449 284 A N 1.651 124.475 122.820 0.007 0.000 2.483 284 A HA 0.571 4.891 4.320 0.000 0.000 0.294 284 A C -0.479 177.122 177.584 0.029 0.000 1.077 284 A CA -0.762 51.280 52.037 0.007 0.000 0.633 284 A CB 1.221 20.214 19.000 -0.012 0.000 1.318 284 A HN 0.895 nan 8.150 nan 0.000 0.455 285 R N -0.259 120.263 120.500 0.036 0.000 2.275 285 R HA 0.120 4.461 4.340 0.000 0.000 0.199 285 R C -0.626 175.703 176.300 0.047 0.000 0.989 285 R CA 1.388 57.521 56.100 0.054 0.000 1.016 285 R CB -0.009 30.330 30.300 0.065 0.000 0.918 285 R HN 0.823 nan 8.270 nan 0.000 0.473 286 D N -3.092 117.329 120.400 0.035 0.000 2.643 286 D HA 0.062 4.702 4.640 0.000 0.000 0.283 286 D C 0.631 176.952 176.300 0.033 0.000 1.242 286 D CA -0.772 53.250 54.000 0.036 0.000 0.863 286 D CB 0.782 41.607 40.800 0.041 0.000 1.382 286 D HN -0.329 nan 8.370 nan 0.000 0.444 287 V N -0.288 119.656 119.914 0.049 0.000 2.358 287 V HA -0.141 3.979 4.120 0.000 0.000 0.246 287 V C 2.212 178.356 176.094 0.083 0.000 1.047 287 V CA 1.953 64.296 62.300 0.072 0.000 1.035 287 V CB -0.760 31.126 31.823 0.104 0.000 0.658 287 V HN 0.670 nan 8.190 nan 0.000 0.452 288 E N 0.737 121.001 120.200 0.106 0.000 2.118 288 E HA -0.179 4.171 4.350 0.000 0.000 0.195 288 E C 2.362 178.953 176.600 -0.014 0.000 0.992 288 E CA 1.699 58.157 56.400 0.096 0.000 0.804 288 E CB -0.375 29.391 29.700 0.110 0.000 0.741 288 E HN 0.557 nan 8.360 nan 0.000 0.458 289 S N -0.244 115.447 115.700 -0.014 0.000 2.368 289 S HA -0.082 4.388 4.470 0.000 0.000 0.225 289 S C 1.874 176.421 174.600 -0.088 0.000 1.030 289 S CA 1.020 59.191 58.200 -0.048 0.000 0.999 289 S CB -0.237 62.946 63.200 -0.028 0.000 0.844 289 S HN 0.269 nan 8.310 nan 0.000 0.459 290 L N 1.148 122.328 121.223 -0.071 0.000 2.046 290 L HA -0.121 4.219 4.340 0.000 0.000 0.208 290 L C 2.842 179.602 176.870 -0.184 0.000 1.077 290 L CA 1.236 56.024 54.840 -0.088 0.000 0.747 290 L CB -0.879 41.160 42.059 -0.034 0.000 0.896 290 L HN 0.310 nan 8.230 nan 0.000 0.432 291 A N 0.347 123.006 122.820 -0.268 0.000 1.883 291 A HA -0.237 4.084 4.320 0.000 0.000 0.217 291 A C 2.238 179.420 177.584 -0.670 0.000 1.186 291 A CA 1.864 53.559 52.037 -0.570 0.000 0.624 291 A CB -0.749 17.703 19.000 -0.914 0.000 0.822 291 A HN 0.328 nan 8.150 nan 0.000 0.444 292 L N -0.272 120.713 121.223 -0.396 0.000 2.046 292 L HA -0.159 4.181 4.340 0.000 0.000 0.208 292 L C 2.564 179.256 176.870 -0.297 0.000 1.077 292 L CA 2.285 56.934 54.840 -0.319 0.000 0.747 292 L CB -1.123 40.834 42.059 -0.169 0.000 0.896 292 L HN 0.533 nan 8.230 nan 0.000 0.432 293 C N -1.009 118.151 119.300 -0.234 0.000 2.425 293 C HA -0.128 4.332 4.460 0.000 0.000 0.277 293 C C 2.728 177.599 174.990 -0.199 0.000 1.280 293 C CA 0.907 59.817 59.018 -0.181 0.000 1.744 293 C CB -1.121 26.539 27.740 -0.133 0.000 1.989 293 C HN 0.626 nan 8.230 nan 0.000 0.491 294 L N 1.430 122.495 121.223 -0.264 0.000 2.056 294 L HA -0.048 4.292 4.340 0.000 0.000 0.207 294 L C 2.611 179.301 176.870 -0.299 0.000 1.078 294 L CA 2.001 56.717 54.840 -0.207 0.000 0.749 294 L CB -0.960 41.034 42.059 -0.109 0.000 0.901 294 L HN 0.386 nan 8.230 nan 0.000 0.433 295 K N -0.765 119.233 120.400 -0.670 0.000 2.063 295 K HA -0.197 4.124 4.320 0.000 0.000 0.208 295 K C 1.907 178.385 176.600 -0.204 0.000 1.048 295 K CA 1.490 57.473 56.287 -0.507 0.000 0.928 295 K CB -0.097 32.030 32.500 -0.622 0.000 0.713 295 K HN 0.355 nan 8.250 nan 0.000 0.442 296 A N 0.643 123.347 122.820 -0.192 0.000 1.968 296 A HA -0.069 4.251 4.320 0.000 0.000 0.217 296 A C 1.903 179.427 177.584 -0.100 0.000 1.169 296 A CA 0.811 52.779 52.037 -0.115 0.000 0.638 296 A CB -0.227 18.712 19.000 -0.103 0.000 0.812 296 A HN 0.240 nan 8.150 nan 0.000 0.446 297 L N -0.592 120.567 121.223 -0.107 0.000 2.131 297 L HA 0.123 4.463 4.340 0.000 0.000 0.206 297 L C 1.115 177.895 176.870 -0.149 0.000 1.087 297 L CA 1.119 55.903 54.840 -0.093 0.000 0.767 297 L CB -0.842 41.185 42.059 -0.053 0.000 0.917 297 L HN 0.306 nan 8.230 nan 0.000 0.441 298 L N 0.712 121.868 121.223 -0.112 0.000 2.437 298 L HA 0.119 4.459 4.340 0.000 0.000 0.243 298 L C 0.107 176.781 176.870 -0.328 0.000 1.346 298 L CA -0.541 54.201 54.840 -0.163 0.000 1.233 298 L CB -0.660 41.514 42.059 0.192 0.000 1.436 298 L HN 0.309 nan 8.230 nan 0.000 0.416 299 C N -2.927 116.035 119.300 -0.562 0.000 2.973 299 C HA 0.463 4.924 4.460 0.000 0.000 0.329 299 C C 1.710 176.362 174.990 -0.563 0.000 1.327 299 C CA -0.860 57.933 59.018 -0.375 0.000 1.632 299 C CB 1.935 29.585 27.740 -0.150 0.000 2.098 299 C HN 0.471 nan 8.230 nan 0.000 0.469 300 E N 0.083 120.133 120.200 -0.250 0.000 2.160 300 E HA -0.163 4.187 4.350 0.000 0.000 0.195 300 E C 1.942 178.447 176.600 -0.157 0.000 0.991 300 E CA 1.570 57.892 56.400 -0.131 0.000 0.810 300 E CB -0.409 29.226 29.700 -0.109 0.000 0.742 300 E HN 0.711 nan 8.360 nan 0.000 0.466 301 H N 0.228 119.229 119.070 -0.115 0.000 2.319 301 H HA -0.118 4.437 4.556 -0.000 0.000 0.299 301 H C 2.373 177.649 175.328 -0.087 0.000 1.092 301 H CA 1.169 57.170 56.048 -0.079 0.000 1.302 301 H CB -0.442 29.273 29.762 -0.079 0.000 1.373 301 H HN 0.158 nan 8.280 nan 0.000 0.497 302 L N 0.135 121.316 121.223 -0.070 0.000 2.027 302 L HA -0.162 4.178 4.340 0.000 0.000 0.206 302 L C 2.138 179.041 176.870 0.056 0.000 1.074 302 L CA 1.068 55.864 54.840 -0.074 0.000 0.745 302 L CB -0.296 41.647 42.059 -0.194 0.000 0.898 302 L HN -0.031 nan 8.230 nan 0.000 0.433 303 F N -0.103 119.880 119.950 0.055 0.000 2.171 303 F HA -0.174 4.353 4.527 0.001 0.000 0.300 303 F C 2.827 178.645 175.800 0.029 0.000 1.090 303 F CA 1.483 59.504 58.000 0.036 0.000 1.293 303 F CB -1.764 37.246 39.000 0.017 0.000 1.013 303 F HN 0.298 nan 8.300 nan 0.000 0.486 304 T N -2.317 112.354 114.554 0.195 0.000 3.035 304 T HA 0.014 4.364 4.350 0.000 0.000 0.259 304 T C 2.047 176.806 174.700 0.098 0.000 1.078 304 T CA 0.565 62.737 62.100 0.119 0.000 1.132 304 T CB -0.622 68.293 68.868 0.077 0.000 0.900 304 T HN 0.270 nan 8.240 nan 0.000 0.480 305 L N 0.669 121.952 121.223 0.100 0.000 2.217 305 L HA 0.172 4.512 4.340 0.000 0.000 0.211 305 L C 0.817 177.737 176.870 0.084 0.000 1.107 305 L CA 1.028 55.917 54.840 0.081 0.000 0.783 305 L CB 0.016 42.117 42.059 0.071 0.000 0.919 305 L HN 0.301 nan 8.230 nan 0.000 0.442 306 D N -1.296 119.170 120.400 0.110 0.000 2.405 306 D HA 0.186 4.826 4.640 0.000 0.000 0.264 306 D C -1.982 174.391 176.300 0.122 0.000 1.240 306 D CA -1.897 52.167 54.000 0.108 0.000 0.893 306 D CB 1.113 41.981 40.800 0.113 0.000 1.198 306 D HN -0.172 nan 8.370 nan 0.000 0.514 307 P HA -0.103 nan 4.420 nan 0.000 0.226 307 P C 1.285 178.617 177.300 0.053 0.000 1.146 307 P CA 1.109 64.251 63.100 0.070 0.000 0.773 307 P CB 0.089 31.817 31.700 0.046 0.000 0.772 308 T N -4.692 109.902 114.554 0.067 0.000 3.035 308 T HA 0.019 4.369 4.350 0.000 0.000 0.268 308 T C 0.743 175.488 174.700 0.075 0.000 1.109 308 T CA 0.215 62.351 62.100 0.060 0.000 1.119 308 T CB -0.781 68.127 68.868 0.067 0.000 0.900 308 T HN -0.169 nan 8.240 nan 0.000 0.503 309 V N 4.752 124.730 119.914 0.105 0.000 2.461 309 V HA 0.327 4.448 4.120 0.000 0.000 0.275 309 V C -2.050 174.056 176.094 0.020 0.000 1.047 309 V CA -2.258 60.123 62.300 0.135 0.000 0.955 309 V CB 1.017 32.981 31.823 0.235 0.000 0.988 309 V HN 0.329 nan 8.190 nan 0.000 0.471 310 P HA 0.145 nan 4.420 nan 0.000 0.267 310 P C -2.494 174.521 177.300 -0.475 0.000 1.209 310 P CA -1.507 61.440 63.100 -0.257 0.000 0.763 310 P CB 0.132 31.606 31.700 -0.377 0.000 0.816 311 P HA 0.141 nan 4.420 nan 0.000 0.231 311 P C -0.315 176.400 177.300 -0.974 0.000 1.756 311 P CA 0.151 62.245 63.100 -1.678 0.000 0.990 311 P CB -0.160 30.893 31.700 -1.077 0.000 1.973 312 L N 3.718 124.618 121.223 -0.538 0.000 2.268 312 L HA 0.336 4.676 4.340 0.000 0.000 0.289 312 L C -1.945 175.026 176.870 0.169 0.000 1.064 312 L CA -2.119 52.637 54.840 -0.139 0.000 0.824 312 L CB 0.823 42.837 42.059 -0.074 0.000 1.202 312 L HN 0.026 nan 8.230 nan 0.000 0.433 313 P HA 0.064 nan 4.420 nan 0.000 0.276 313 P C -0.617 176.825 177.300 0.236 0.000 1.244 313 P CA -0.534 62.751 63.100 0.308 0.000 0.801 313 P CB 0.529 32.366 31.700 0.228 0.000 1.006 314 F N 2.253 122.275 119.950 0.121 0.000 2.557 314 F HA 0.102 4.630 4.527 0.001 0.000 0.384 314 F C 0.857 176.701 175.800 0.074 0.000 1.057 314 F CA -0.033 58.015 58.000 0.080 0.000 1.169 314 F CB 0.218 39.241 39.000 0.039 0.000 1.070 314 F HN 0.133 nan 8.300 nan 0.000 0.554 315 R N 5.611 125.862 120.500 -0.415 0.000 2.429 315 R HA 0.052 4.392 4.340 0.000 0.000 0.302 315 R C 1.382 177.522 176.300 -0.266 0.000 1.268 315 R CA -0.049 55.903 56.100 -0.247 0.000 1.090 315 R CB 0.057 30.245 30.300 -0.187 0.000 1.102 315 R HN 0.701 nan 8.270 nan 0.000 0.522 316 E N 2.036 122.237 120.200 0.002 0.000 2.077 316 E HA -0.235 4.115 4.350 0.000 0.000 0.193 316 E C 0.915 177.588 176.600 0.123 0.000 0.989 316 E CA 1.546 58.059 56.400 0.188 0.000 0.800 316 E CB 0.393 30.248 29.700 0.258 0.000 0.746 316 E HN 0.543 nan 8.360 nan 0.000 0.452 317 E N 0.499 120.731 120.200 0.054 0.000 2.097 317 E HA -0.164 4.186 4.350 0.000 0.000 0.196 317 E C 2.205 178.812 176.600 0.012 0.000 1.000 317 E CA 1.087 57.506 56.400 0.031 0.000 0.804 317 E CB -0.548 29.161 29.700 0.015 0.000 0.740 317 E HN 0.069 nan 8.360 nan 0.000 0.454 318 V N 0.375 120.282 119.914 -0.011 0.000 2.323 318 V HA -0.249 3.871 4.120 0.000 0.000 0.244 318 V C 2.087 178.194 176.094 0.022 0.000 1.041 318 V CA 1.756 64.048 62.300 -0.014 0.000 1.025 318 V CB -0.674 31.121 31.823 -0.047 0.000 0.656 318 V HN 0.254 nan 8.190 nan 0.000 0.451 319 Y N 2.335 122.584 120.300 -0.084 0.000 2.151 319 Y HA -0.242 4.308 4.550 0.000 0.000 0.284 319 Y C 2.466 178.403 175.900 0.062 0.000 1.166 319 Y CA 1.763 59.869 58.100 0.010 0.000 1.163 319 Y CB -0.181 38.343 38.460 0.106 0.000 0.974 319 Y HN 0.200 nan 8.280 nan 0.000 0.511 320 R N 0.365 120.796 120.500 -0.114 0.000 2.320 320 R HA 0.124 4.464 4.340 0.000 0.000 0.211 320 R C 0.993 177.229 176.300 -0.107 0.000 0.931 320 R CA 0.577 56.570 56.100 -0.178 0.000 1.071 320 R CB -0.387 29.899 30.300 -0.023 0.000 1.025 320 R HN 0.232 nan 8.270 nan 0.000 0.495 321 S N 1.475 117.129 115.700 -0.076 0.000 2.562 321 S HA 0.035 4.505 4.470 0.000 0.000 0.281 321 S C 0.861 175.442 174.600 -0.033 0.000 1.333 321 S CA -0.376 57.803 58.200 -0.035 0.000 1.052 321 S CB 0.996 64.186 63.200 -0.016 0.000 0.884 321 S HN 0.329 nan 8.310 nan 0.000 0.506 322 S N 3.040 118.734 115.700 -0.009 0.000 2.741 322 S HA 0.380 4.850 4.470 0.000 0.000 0.247 322 S C 0.040 174.661 174.600 0.034 0.000 1.050 322 S CA -0.820 57.388 58.200 0.014 0.000 1.025 322 S CB -0.079 63.123 63.200 0.003 0.000 0.897 322 S HN 0.737 nan 8.310 nan 0.000 0.508 323 R N 2.549 123.068 120.500 0.033 0.000 2.643 323 R HA 0.379 4.719 4.340 0.000 0.000 0.270 323 R C -2.651 173.698 176.300 0.082 0.000 1.061 323 R CA -1.293 54.829 56.100 0.036 0.000 1.107 323 R CB -0.299 30.014 30.300 0.021 0.000 0.999 323 R HN 0.219 nan 8.270 nan 0.000 0.460 324 P HA -0.008 nan 4.420 nan 0.000 0.266 324 P C -0.854 176.541 177.300 0.159 0.000 1.195 324 P CA 0.285 63.451 63.100 0.111 0.000 0.768 324 P CB 0.527 32.227 31.700 -0.000 0.000 0.838 325 L N 3.021 124.427 121.223 0.305 0.000 2.346 325 L HA 0.471 4.811 4.340 0.000 0.000 0.274 325 L C 0.752 177.607 176.870 -0.025 0.000 1.007 325 L CA -0.804 54.054 54.840 0.030 0.000 0.818 325 L CB 1.740 43.688 42.059 -0.186 0.000 1.284 325 L HN 0.196 nan 8.230 nan 0.000 0.424 326 R N 2.033 122.474 120.500 -0.099 0.000 2.210 326 R HA 0.386 4.726 4.340 0.000 0.000 0.338 326 R C -1.114 175.032 176.300 -0.257 0.000 1.062 326 R CA -0.371 55.652 56.100 -0.130 0.000 0.902 326 R CB 0.941 31.171 30.300 -0.116 0.000 1.050 326 R HN 0.283 nan 8.270 nan 0.000 0.461 327 V N 3.386 123.162 119.914 -0.230 0.000 2.313 327 V HA 0.305 4.425 4.120 0.000 0.000 0.278 327 V C 0.894 176.894 176.094 -0.156 0.000 1.017 327 V CA -0.873 61.236 62.300 -0.317 0.000 0.823 327 V CB 1.387 33.038 31.823 -0.288 0.000 1.010 327 V HN 0.908 nan 8.190 nan 0.000 0.443 328 G N 4.077 112.700 108.800 -0.294 0.000 2.594 328 G HA2 0.448 4.408 3.960 0.000 0.000 0.243 328 G HA3 0.448 4.408 3.960 0.000 0.000 0.243 328 G C -0.880 174.098 174.900 0.129 0.000 1.229 328 G CA 0.051 45.062 45.100 -0.149 0.000 0.843 328 G HN 1.048 nan 8.290 nan 0.000 0.578 329 Y N -0.621 119.742 120.300 0.105 0.000 2.604 329 Y HA 0.610 5.160 4.550 0.000 0.000 0.331 329 Y C -1.614 174.459 175.900 0.288 0.000 1.158 329 Y CA -2.067 56.101 58.100 0.113 0.000 1.056 329 Y CB 1.062 39.554 38.460 0.053 0.000 1.330 329 Y HN 0.898 nan 8.280 nan 0.000 0.457 330 Y N -0.231 120.164 120.300 0.157 0.000 2.534 330 Y HA 0.603 5.154 4.550 0.000 0.000 0.345 330 Y C -0.154 175.898 175.900 0.253 0.000 1.031 330 Y CA -1.339 56.816 58.100 0.091 0.000 1.022 330 Y CB 1.894 40.419 38.460 0.108 0.000 1.292 330 Y HN 0.718 nan 8.280 nan 0.000 0.459 331 E N 0.517 120.942 120.200 0.375 0.000 2.447 331 E HA 0.147 4.498 4.350 0.000 0.000 0.195 331 E C -0.024 176.805 176.600 0.381 0.000 1.028 331 E CA 0.692 57.276 56.400 0.306 0.000 0.876 331 E CB 0.728 30.581 29.700 0.255 0.000 0.885 331 E HN 0.582 nan 8.360 nan 0.000 0.500 332 T N 0.874 115.750 114.554 0.537 0.000 2.942 332 T HA 0.077 4.427 4.350 0.000 0.000 0.327 332 T C -1.364 173.663 174.700 0.544 0.000 1.360 332 T CA -0.711 61.758 62.100 0.614 0.000 1.055 332 T CB 1.627 70.778 68.868 0.471 0.000 1.261 332 T HN 0.049 nan 8.240 nan 0.000 0.485 333 D N 2.251 122.910 120.400 0.430 0.000 2.340 333 D HA 0.117 4.758 4.640 0.000 0.000 0.217 333 D C 0.637 176.945 176.300 0.013 0.000 1.081 333 D CA -0.142 53.874 54.000 0.027 0.000 0.842 333 D CB -0.820 39.849 40.800 -0.219 0.000 0.934 333 D HN 0.818 nan 8.370 nan 0.000 0.511 334 N N -1.431 117.306 118.700 0.061 0.000 2.681 334 N HA -0.327 4.413 4.740 0.000 0.000 0.250 334 N C -0.305 175.164 175.510 -0.068 0.000 1.133 334 N CA 0.888 53.760 53.050 -0.297 0.000 0.732 334 N CB -1.147 37.138 38.487 -0.338 0.000 1.107 334 N HN 0.404 nan 8.380 nan 0.000 0.559 335 Y N -0.406 119.999 120.300 0.175 0.000 2.697 335 Y HA 0.197 4.747 4.550 0.000 0.000 0.268 335 Y C 0.603 176.846 175.900 0.571 0.000 1.092 335 Y CA 0.585 58.907 58.100 0.369 0.000 1.304 335 Y CB 0.886 39.454 38.460 0.179 0.000 1.446 335 Y HN -0.099 nan 8.280 nan 0.000 0.491 336 T N 3.391 118.267 114.554 0.537 0.000 2.753 336 T HA 0.251 4.601 4.350 0.000 0.000 0.297 336 T C -0.346 174.684 174.700 0.550 0.000 0.981 336 T CA -0.471 61.938 62.100 0.515 0.000 0.956 336 T CB 0.581 69.784 68.868 0.560 0.000 0.936 336 T HN 0.220 nan 8.240 nan 0.000 0.463 337 M N 6.651 126.350 119.600 0.165 0.000 2.260 337 M HA 0.128 4.609 4.480 0.000 0.000 0.348 337 M C -2.060 174.455 176.300 0.359 0.000 1.342 337 M CA -1.073 54.185 55.300 -0.069 0.000 1.040 337 M CB 0.629 32.761 32.600 -0.780 0.000 1.810 337 M HN 0.244 nan 8.290 nan 0.000 0.453 338 P HA 0.156 nan 4.420 nan 0.000 0.277 338 P C -0.998 176.465 177.300 0.271 0.000 1.240 338 P CA -0.434 62.824 63.100 0.263 0.000 0.798 338 P CB 0.701 32.497 31.700 0.160 0.000 0.979 339 S N 2.209 117.995 115.700 0.144 0.000 2.576 339 S HA 0.116 4.586 4.470 0.000 0.000 0.272 339 S C -1.615 173.031 174.600 0.078 0.000 1.352 339 S CA -0.663 57.580 58.200 0.072 0.000 1.021 339 S CB -0.721 62.440 63.200 -0.064 0.000 0.887 339 S HN 0.294 nan 8.310 nan 0.000 0.542 340 P HA -0.122 nan 4.420 nan 0.000 0.216 340 P C 1.655 178.962 177.300 0.012 0.000 1.153 340 P CA 2.049 65.177 63.100 0.046 0.000 0.858 340 P CB -0.302 31.421 31.700 0.037 0.000 0.789 341 A N -1.094 121.716 122.820 -0.016 0.000 1.908 341 A HA -0.230 4.090 4.320 0.000 0.000 0.218 341 A C 2.227 179.789 177.584 -0.037 0.000 1.181 341 A CA 2.145 54.160 52.037 -0.037 0.000 0.627 341 A CB -1.499 17.461 19.000 -0.066 0.000 0.818 341 A HN 0.118 nan 8.150 nan 0.000 0.445 342 M N -1.546 118.032 119.600 -0.036 0.000 2.086 342 M HA -0.157 4.323 4.480 0.000 0.000 0.261 342 M C 2.444 178.730 176.300 -0.024 0.000 1.067 342 M CA 1.948 57.217 55.300 -0.052 0.000 1.116 342 M CB -0.281 32.270 32.600 -0.080 0.000 1.348 342 M HN 0.456 nan 8.290 nan 0.000 0.407 343 R N 0.112 120.621 120.500 0.016 0.000 2.075 343 R HA -0.139 4.201 4.340 0.000 0.000 0.232 343 R C 2.323 178.643 176.300 0.033 0.000 1.126 343 R CA 1.515 57.643 56.100 0.048 0.000 0.963 343 R CB -0.139 30.208 30.300 0.079 0.000 0.858 343 R HN 0.278 nan 8.270 nan 0.000 0.435 344 R N 0.067 120.577 120.500 0.017 0.000 2.066 344 R HA -0.095 4.246 4.340 0.000 0.000 0.232 344 R C 2.151 178.447 176.300 -0.008 0.000 1.131 344 R CA 1.483 57.587 56.100 0.007 0.000 0.955 344 R CB -0.349 29.951 30.300 -0.000 0.000 0.851 344 R HN 0.265 nan 8.270 nan 0.000 0.432 345 A N 1.918 124.725 122.820 -0.022 0.000 1.903 345 A HA -0.227 4.093 4.320 0.000 0.000 0.219 345 A C 2.166 179.730 177.584 -0.033 0.000 1.191 345 A CA 1.615 53.630 52.037 -0.036 0.000 0.638 345 A CB -0.892 18.078 19.000 -0.051 0.000 0.823 345 A HN 0.445 nan 8.150 nan 0.000 0.451 346 L N -0.352 120.859 121.223 -0.020 0.000 2.017 346 L HA -0.133 4.208 4.340 0.000 0.000 0.208 346 L C 2.403 179.271 176.870 -0.004 0.000 1.073 346 L CA 2.181 57.018 54.840 -0.006 0.000 0.745 346 L CB -0.779 41.297 42.059 0.030 0.000 0.894 346 L HN 0.486 nan 8.230 nan 0.000 0.432 347 I N 0.012 120.589 120.570 0.011 0.000 2.252 347 I HA -0.294 3.876 4.170 0.000 0.000 0.245 347 I C 2.447 178.544 176.117 -0.032 0.000 1.102 347 I CA 1.102 62.400 61.300 -0.004 0.000 1.385 347 I CB -0.168 37.848 38.000 0.026 0.000 1.064 347 I HN 0.314 nan 8.210 nan 0.000 0.414 348 E N 0.152 120.338 120.200 -0.023 0.000 2.110 348 E HA -0.176 4.174 4.350 0.000 0.000 0.193 348 E C 2.130 178.709 176.600 -0.036 0.000 0.988 348 E CA 1.753 58.138 56.400 -0.027 0.000 0.804 348 E CB -0.057 29.630 29.700 -0.022 0.000 0.745 348 E HN 0.459 nan 8.360 nan 0.000 0.458 349 T N 1.132 115.659 114.554 -0.044 0.000 2.737 349 T HA -0.159 4.191 4.350 0.000 0.000 0.265 349 T C 1.775 176.443 174.700 -0.053 0.000 1.038 349 T CA 1.053 63.124 62.100 -0.049 0.000 1.144 349 T CB -0.100 68.730 68.868 -0.063 0.000 0.866 349 T HN 0.097 nan 8.240 nan 0.000 0.434 350 K N 1.050 121.394 120.400 -0.094 0.000 2.044 350 K HA -0.228 4.092 4.320 0.000 0.000 0.210 350 K C 2.315 178.841 176.600 -0.123 0.000 1.049 350 K CA 1.676 57.854 56.287 -0.182 0.000 0.927 350 K CB -0.178 32.105 32.500 -0.362 0.000 0.713 350 K HN 0.423 nan 8.250 nan 0.000 0.443 351 Q N -0.359 119.390 119.800 -0.086 0.000 2.079 351 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 351 Q C 2.250 178.237 176.000 -0.022 0.000 0.974 351 Q CA 1.124 56.896 55.803 -0.052 0.000 0.840 351 Q CB 0.001 28.717 28.738 -0.036 0.000 0.898 351 Q HN 0.258 nan 8.270 nan 0.000 0.430 352 R N 0.428 120.921 120.500 -0.012 0.000 2.092 352 R HA -0.064 4.277 4.340 0.000 0.000 0.231 352 R C 2.291 178.620 176.300 0.048 0.000 1.119 352 R CA 0.813 56.919 56.100 0.010 0.000 0.970 352 R CB -0.506 29.798 30.300 0.006 0.000 0.864 352 R HN 0.306 nan 8.270 nan 0.000 0.440 353 L N 0.882 122.149 121.223 0.073 0.000 2.017 353 L HA -0.180 4.160 4.340 0.000 0.000 0.208 353 L C 2.381 179.347 176.870 0.159 0.000 1.073 353 L CA 1.516 56.479 54.840 0.205 0.000 0.745 353 L CB -0.407 41.750 42.059 0.164 0.000 0.894 353 L HN 0.209 nan 8.230 nan 0.000 0.432 354 E N 0.009 120.239 120.200 0.050 0.000 2.077 354 E HA -0.243 4.107 4.350 0.000 0.000 0.193 354 E C 2.281 178.874 176.600 -0.010 0.000 0.989 354 E CA 1.172 57.578 56.400 0.010 0.000 0.800 354 E CB -0.220 29.469 29.700 -0.019 0.000 0.746 354 E HN 0.509 nan 8.360 nan 0.000 0.452 355 A N 1.223 124.039 122.820 -0.006 0.000 1.978 355 A HA -0.098 4.222 4.320 0.000 0.000 0.220 355 A C 2.229 179.793 177.584 -0.034 0.000 1.170 355 A CA 1.611 53.639 52.037 -0.016 0.000 0.636 355 A CB -0.367 18.628 19.000 -0.008 0.000 0.810 355 A HN 0.274 nan 8.150 nan 0.000 0.448 356 A N -2.271 120.527 122.820 -0.038 0.000 2.251 356 A HA 0.441 4.761 4.320 0.000 0.000 0.209 356 A C 1.654 179.081 177.584 -0.262 0.000 1.187 356 A CA 1.130 53.107 52.037 -0.100 0.000 0.823 356 A CB -0.648 18.334 19.000 -0.029 0.000 0.846 356 A HN 1.810 nan 8.150 nan 0.000 0.486 357 G N -1.327 107.335 108.800 -0.230 0.000 2.179 357 G HA2 -0.168 3.792 3.960 0.000 0.000 0.220 357 G HA3 -0.168 3.792 3.960 0.000 0.000 0.220 357 G C 0.065 174.794 174.900 -0.285 0.000 0.990 357 G CA 0.074 45.025 45.100 -0.248 0.000 0.646 357 G HN 0.640 nan 8.290 nan 0.000 0.517 358 H N 0.824 119.887 119.070 -0.012 0.000 2.551 358 H HA 0.493 5.049 4.556 0.000 0.000 0.358 358 H C 0.019 175.330 175.328 -0.029 0.000 1.151 358 H CA 0.745 56.779 56.048 -0.022 0.000 1.374 358 H CB 0.888 30.641 29.762 -0.015 0.000 1.473 358 H HN 0.105 nan 8.280 nan 0.000 0.574 359 T N 4.002 118.611 114.554 0.091 0.000 2.744 359 T HA 0.206 4.557 4.350 0.000 0.000 0.291 359 T C 0.434 175.156 174.700 0.037 0.000 0.957 359 T CA -0.735 61.390 62.100 0.042 0.000 1.002 359 T CB 0.396 69.276 68.868 0.020 0.000 0.919 359 T HN 0.126 nan 8.240 nan 0.000 0.468 360 L N 4.920 126.172 121.223 0.048 0.000 2.265 360 L HA 0.533 4.873 4.340 0.000 0.000 0.289 360 L C -0.191 176.831 176.870 0.254 0.000 1.033 360 L CA -0.312 54.578 54.840 0.083 0.000 0.814 360 L CB 0.888 42.874 42.059 -0.121 0.000 1.203 360 L HN 0.662 nan 8.230 nan 0.000 0.423 361 I N 5.923 126.677 120.570 0.306 0.000 2.389 361 I HA 0.306 4.477 4.170 0.000 0.000 0.288 361 I C -2.153 174.051 176.117 0.145 0.000 0.999 361 I CA -1.992 59.429 61.300 0.202 0.000 1.129 361 I CB 2.216 40.255 38.000 0.064 0.000 1.288 361 I HN 0.327 nan 8.210 nan 0.000 0.444 362 P HA 0.111 nan 4.420 nan 0.000 0.264 362 P C -1.040 176.251 177.300 -0.016 0.000 1.193 362 P CA 0.278 63.192 63.100 -0.309 0.000 0.763 362 P CB 0.213 31.790 31.700 -0.204 0.000 0.810 363 F N 4.492 124.338 119.950 -0.173 0.000 2.639 363 F HA 0.521 5.048 4.527 0.000 0.000 0.326 363 F C -2.179 173.634 175.800 0.021 0.000 1.150 363 F CA -0.909 57.057 58.000 -0.057 0.000 1.057 363 F CB 1.252 40.219 39.000 -0.055 0.000 1.300 363 F HN 0.093 nan 8.300 nan 0.000 0.486 364 L N 8.393 129.321 121.223 -0.493 0.000 2.439 364 L HA 0.708 5.048 4.340 0.000 0.000 0.270 364 L C -2.617 173.924 176.870 -0.548 0.000 0.972 364 L CA -1.903 52.660 54.840 -0.462 0.000 0.836 364 L CB 1.853 43.656 42.059 -0.427 0.000 1.255 364 L HN 0.338 nan 8.230 nan 0.000 0.404 365 P HA 0.058 nan 4.420 nan 0.000 0.263 365 P C -1.157 176.062 177.300 -0.135 0.000 1.175 365 P CA 0.197 63.232 63.100 -0.110 0.000 0.761 365 P CB 0.152 31.901 31.700 0.082 0.000 0.794 366 N N 1.980 120.629 118.700 -0.085 0.000 2.482 366 N HA 0.016 4.756 4.740 0.000 0.000 0.260 366 N C 0.007 175.603 175.510 0.144 0.000 1.236 366 N CA -0.365 52.676 53.050 -0.016 0.000 0.938 366 N CB -0.182 38.300 38.487 -0.008 0.000 1.128 366 N HN 0.252 nan 8.380 nan 0.000 0.448 367 N N -0.154 118.593 118.700 0.079 0.000 2.725 367 N HA -0.193 4.548 4.740 0.000 0.000 0.251 367 N C 0.193 175.723 175.510 0.033 0.000 1.031 367 N CA 0.572 53.678 53.050 0.093 0.000 0.720 367 N CB -0.872 37.713 38.487 0.164 0.000 0.930 367 N HN 0.650 nan 8.380 nan 0.000 0.543 368 I N 0.526 121.077 120.570 -0.032 0.000 2.179 368 I HA -0.178 3.992 4.170 0.000 0.000 0.242 368 I C -0.533 175.439 176.117 -0.241 0.000 1.088 368 I CA 1.232 62.442 61.300 -0.150 0.000 1.357 368 I CB -0.846 37.048 38.000 -0.178 0.000 1.051 368 I HN 0.179 nan 8.210 nan 0.000 0.409 369 P HA -0.250 nan 4.420 nan 0.000 0.216 369 P C 1.569 178.801 177.300 -0.113 0.000 1.153 369 P CA 1.565 64.614 63.100 -0.086 0.000 0.858 369 P CB -0.192 31.613 31.700 0.175 0.000 0.789 370 Y N 0.886 121.053 120.300 -0.221 0.000 2.128 370 Y HA -0.192 4.359 4.550 0.000 0.000 0.284 370 Y C 2.340 177.998 175.900 -0.404 0.000 1.154 370 Y CA 1.586 59.522 58.100 -0.274 0.000 1.149 370 Y CB -1.209 37.096 38.460 -0.258 0.000 0.976 370 Y HN -0.110 nan 8.280 nan 0.000 0.505 371 A N 0.184 122.608 122.820 -0.660 0.000 1.933 371 A HA -0.108 4.212 4.320 0.000 0.000 0.218 371 A C 2.303 179.550 177.584 -0.561 0.000 1.175 371 A CA 1.844 53.368 52.037 -0.855 0.000 0.628 371 A CB -0.956 17.558 19.000 -0.811 0.000 0.814 371 A HN 0.562 nan 8.150 nan 0.000 0.444 372 L N -1.409 119.531 121.223 -0.472 0.000 2.084 372 L HA -0.069 4.271 4.340 0.000 0.000 0.202 372 L C 2.594 179.162 176.870 -0.503 0.000 1.074 372 L CA 1.335 55.926 54.840 -0.415 0.000 0.757 372 L CB -0.601 41.185 42.059 -0.455 0.000 0.918 372 L HN 0.379 nan 8.230 nan 0.000 0.444 373 E N -0.297 119.598 120.200 -0.509 0.000 2.046 373 E HA -0.130 4.220 4.350 0.000 0.000 0.190 373 E C 2.149 178.495 176.600 -0.423 0.000 0.982 373 E CA 1.152 57.184 56.400 -0.614 0.000 0.800 373 E CB 0.085 29.597 29.700 -0.313 0.000 0.756 373 E HN 0.207 nan 8.360 nan 0.000 0.449 374 V N 0.948 120.669 119.914 -0.322 0.000 2.374 374 V HA -0.113 4.007 4.120 0.000 0.000 0.241 374 V C 2.209 178.105 176.094 -0.331 0.000 1.034 374 V CA 1.017 63.166 62.300 -0.252 0.000 1.037 374 V CB -0.387 31.370 31.823 -0.109 0.000 0.682 374 V HN 0.178 nan 8.190 nan 0.000 0.463 375 L N -0.230 120.680 121.223 -0.522 0.000 2.049 375 L HA -0.057 4.283 4.340 0.000 0.000 0.203 375 L C 2.635 179.324 176.870 -0.302 0.000 1.074 375 L CA 1.488 56.054 54.840 -0.456 0.000 0.749 375 L CB -0.624 41.044 42.059 -0.652 0.000 0.907 375 L HN 0.264 nan 8.230 nan 0.000 0.439 376 S N -0.665 114.848 115.700 -0.312 0.000 2.345 376 S HA -0.139 4.332 4.470 0.000 0.000 0.219 376 S C 2.025 176.532 174.600 -0.155 0.000 1.031 376 S CA 1.738 59.813 58.200 -0.209 0.000 0.984 376 S CB -0.259 62.828 63.200 -0.190 0.000 0.874 376 S HN 0.377 nan 8.310 nan 0.000 0.451 377 T N 1.665 116.111 114.554 -0.179 0.000 2.708 377 T HA -0.062 4.288 4.350 0.000 0.000 0.266 377 T C 2.042 176.738 174.700 -0.007 0.000 1.037 377 T CA 1.400 63.467 62.100 -0.055 0.000 1.146 377 T CB -0.927 67.809 68.868 -0.219 0.000 0.865 377 T HN 0.531 nan 8.240 nan 0.000 0.435 378 G N 0.898 109.648 108.800 -0.083 0.000 2.440 378 G HA2 -0.076 3.884 3.960 0.000 0.000 0.218 378 G HA3 -0.076 3.884 3.960 0.000 0.000 0.218 378 G C 1.717 176.584 174.900 -0.055 0.000 1.154 378 G CA 1.012 46.084 45.100 -0.046 0.000 0.767 378 G HN 0.572 nan 8.290 nan 0.000 0.552 379 G N 0.745 109.485 108.800 -0.101 0.000 2.402 379 G HA2 -0.105 3.856 3.960 0.000 0.000 0.216 379 G HA3 -0.105 3.856 3.960 0.000 0.000 0.216 379 G C 1.804 176.604 174.900 -0.167 0.000 1.162 379 G CA 0.652 45.689 45.100 -0.105 0.000 0.777 379 G HN 0.418 nan 8.290 nan 0.000 0.539 380 L N -1.209 119.860 121.223 -0.255 0.000 2.141 380 L HA 0.146 4.486 4.340 0.000 0.000 0.209 380 L C 1.109 177.518 176.870 -0.768 0.000 1.094 380 L CA 0.625 55.128 54.840 -0.563 0.000 0.763 380 L CB -0.024 41.612 42.059 -0.706 0.000 0.908 380 L HN 0.131 nan 8.230 nan 0.000 0.437 381 F N -1.842 118.027 119.950 -0.136 0.000 2.841 381 F HA 0.201 4.728 4.527 0.000 0.000 0.358 381 F C 1.715 177.474 175.800 -0.068 0.000 1.261 381 F CA -0.352 57.574 58.000 -0.123 0.000 1.233 381 F CB -0.116 38.813 39.000 -0.117 0.000 1.008 381 F HN -0.198 nan 8.300 nan 0.000 0.507 382 S N 0.108 115.838 115.700 0.051 0.000 2.420 382 S HA -0.213 4.258 4.470 0.000 0.000 0.237 382 S C 1.669 176.301 174.600 0.053 0.000 1.023 382 S CA 1.847 60.070 58.200 0.039 0.000 0.991 382 S CB -0.225 62.982 63.200 0.012 0.000 0.792 382 S HN 0.614 nan 8.310 nan 0.000 0.488 383 D N -0.070 120.372 120.400 0.070 0.000 2.325 383 D HA 0.217 4.857 4.640 0.000 0.000 0.225 383 D C 1.161 177.511 176.300 0.084 0.000 1.096 383 D CA 0.590 54.631 54.000 0.069 0.000 0.844 383 D CB -0.542 40.300 40.800 0.070 0.000 0.925 383 D HN 0.359 nan 8.370 nan 0.000 0.513 384 G N -0.193 108.665 108.800 0.096 0.000 2.162 384 G HA2 -0.197 3.763 3.960 0.000 0.000 0.260 384 G HA3 -0.197 3.763 3.960 0.000 0.000 0.260 384 G C 1.166 176.096 174.900 0.050 0.000 0.976 384 G CA 0.451 45.586 45.100 0.059 0.000 0.655 384 G HN 1.432 nan 8.290 nan 0.000 0.533 385 G N -1.166 107.730 108.800 0.160 0.000 2.176 385 G HA2 -0.267 3.693 3.960 0.000 0.000 0.232 385 G HA3 -0.267 3.693 3.960 0.000 0.000 0.232 385 G C 0.975 176.012 174.900 0.229 0.000 0.986 385 G CA 1.113 46.346 45.100 0.222 0.000 0.643 385 G HN 0.893 nan 8.290 nan 0.000 0.522 386 R N 0.733 121.325 120.500 0.154 0.000 2.073 386 R HA -0.023 4.317 4.340 0.000 0.000 0.234 386 R C 2.739 179.124 176.300 0.141 0.000 1.134 386 R CA 2.104 58.278 56.100 0.123 0.000 0.952 386 R CB -0.326 30.026 30.300 0.086 0.000 0.850 386 R HN 0.420 nan 8.270 nan 0.000 0.433 387 S N 0.291 116.081 115.700 0.150 0.000 2.382 387 S HA -0.162 4.308 4.470 0.000 0.000 0.228 387 S C 1.452 176.154 174.600 0.171 0.000 1.027 387 S CA 1.234 59.518 58.200 0.140 0.000 0.991 387 S CB -0.363 62.906 63.200 0.115 0.000 0.823 387 S HN 0.333 nan 8.310 nan 0.000 0.469 388 F N 2.324 122.322 119.950 0.078 0.000 2.113 388 F HA 0.021 4.548 4.527 0.000 0.000 0.297 388 F C 1.762 177.708 175.800 0.242 0.000 1.103 388 F CA 1.084 59.159 58.000 0.125 0.000 1.248 388 F CB -0.438 38.667 39.000 0.175 0.000 0.999 388 F HN 0.066 nan 8.300 nan 0.000 0.475 389 L N 0.081 121.449 121.223 0.242 0.000 2.191 389 L HA -0.226 4.115 4.340 0.000 0.000 0.212 389 L C 2.509 179.458 176.870 0.131 0.000 1.103 389 L CA 0.647 55.597 54.840 0.183 0.000 0.769 389 L CB -0.786 41.353 42.059 0.134 0.000 0.908 389 L HN 0.176 nan 8.230 nan 0.000 0.438 390 Q N 0.205 120.052 119.800 0.078 0.000 2.112 390 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 390 Q C 1.895 177.881 176.000 -0.024 0.000 0.987 390 Q CA 1.419 57.245 55.803 0.038 0.000 0.858 390 Q CB -0.614 28.154 28.738 0.050 0.000 0.905 390 Q HN 0.622 nan 8.270 nan 0.000 0.420 391 N N -0.343 118.286 118.700 -0.119 0.000 2.364 391 N HA -0.115 4.625 4.740 0.000 0.000 0.183 391 N C 1.071 176.310 175.510 -0.452 0.000 1.022 391 N CA 0.857 53.710 53.050 -0.328 0.000 0.883 391 N CB -0.131 38.015 38.487 -0.568 0.000 0.965 391 N HN 0.266 nan 8.380 nan 0.000 0.438 392 F N 0.854 120.709 119.950 -0.158 0.000 2.695 392 F HA 0.233 4.760 4.527 0.000 0.000 0.303 392 F C 0.741 176.487 175.800 -0.091 0.000 1.091 392 F CA -0.320 57.607 58.000 -0.122 0.000 1.300 392 F CB 0.280 39.204 39.000 -0.127 0.000 1.071 392 F HN -0.348 nan 8.300 nan 0.000 0.578 393 K N 0.731 121.162 120.400 0.052 0.000 2.453 393 K HA 0.238 4.558 4.320 0.000 0.000 0.280 393 K C 1.206 177.787 176.600 -0.032 0.000 1.045 393 K CA 0.974 57.267 56.287 0.010 0.000 1.059 393 K CB -0.048 32.453 32.500 0.001 0.000 0.901 393 K HN 0.390 nan 8.250 nan 0.000 0.475 394 G N 2.405 111.174 108.800 -0.053 0.000 2.179 394 G HA2 -0.243 3.717 3.960 0.000 0.000 0.260 394 G HA3 -0.243 3.717 3.960 0.000 0.000 0.260 394 G C -0.036 174.762 174.900 -0.170 0.000 0.977 394 G CA 0.183 45.221 45.100 -0.103 0.000 0.641 394 G HN 0.637 nan 8.290 nan 0.000 0.533 395 D N -0.498 119.829 120.400 -0.122 0.000 2.326 395 D HA 0.635 5.276 4.640 0.000 0.000 0.251 395 D C 0.524 176.734 176.300 -0.152 0.000 1.023 395 D CA -0.719 53.205 54.000 -0.125 0.000 0.966 395 D CB 0.603 41.389 40.800 -0.023 0.000 1.156 395 D HN -0.014 nan 8.370 nan 0.000 0.494 396 F N 0.031 120.012 119.950 0.051 0.000 2.450 396 F HA 0.227 4.754 4.527 0.000 0.000 0.339 396 F C 0.748 176.623 175.800 0.125 0.000 1.146 396 F CA -0.411 57.625 58.000 0.061 0.000 1.267 396 F CB 0.745 39.764 39.000 0.031 0.000 1.178 396 F HN -0.106 nan 8.300 nan 0.000 0.585 397 V N 2.279 122.373 119.914 0.302 0.000 2.334 397 V HA 0.082 4.202 4.120 0.000 0.000 0.281 397 V C -0.104 176.093 176.094 0.171 0.000 1.016 397 V CA -0.978 61.455 62.300 0.221 0.000 0.832 397 V CB 1.095 32.956 31.823 0.064 0.000 0.999 397 V HN 0.665 nan 8.190 nan 0.000 0.439 398 D N 6.917 127.424 120.400 0.178 0.000 2.493 398 D HA 0.041 4.681 4.640 0.000 0.000 0.240 398 D C -1.433 174.902 176.300 0.059 0.000 1.142 398 D CA -1.026 53.036 54.000 0.104 0.000 0.872 398 D CB 2.063 42.927 40.800 0.107 0.000 1.173 398 D HN 0.239 nan 8.370 nan 0.000 0.467 399 P HA -0.164 nan 4.420 nan 0.000 0.217 399 P C 1.533 178.827 177.300 -0.011 0.000 1.148 399 P CA 0.992 64.094 63.100 0.004 0.000 0.834 399 P CB -0.141 31.554 31.700 -0.008 0.000 0.783 400 C N -2.643 116.651 119.300 -0.010 0.000 2.491 400 C HA 0.112 4.572 4.460 0.000 0.000 0.277 400 C C 2.206 177.166 174.990 -0.051 0.000 1.455 400 C CA -0.155 58.838 59.018 -0.043 0.000 1.758 400 C CB -2.155 25.559 27.740 -0.044 0.000 1.745 400 C HN 0.096 nan 8.230 nan 0.000 0.558 401 L N 1.256 122.477 121.223 -0.004 0.000 2.558 401 L HA 0.305 4.645 4.340 0.000 0.000 0.225 401 L C 2.070 178.925 176.870 -0.026 0.000 1.128 401 L CA 0.643 55.487 54.840 0.005 0.000 0.868 401 L CB -1.017 41.081 42.059 0.065 0.000 1.006 401 L HN 0.688 nan 8.230 nan 0.000 0.454 402 G N 0.983 109.763 108.800 -0.034 0.000 2.574 402 G HA2 -0.346 3.614 3.960 0.000 0.000 0.286 402 G HA3 -0.346 3.614 3.960 0.000 0.000 0.286 402 G C 0.246 175.132 174.900 -0.024 0.000 1.212 402 G CA 0.373 45.453 45.100 -0.033 0.000 0.979 402 G HN 0.293 nan 8.290 nan 0.000 0.557 403 D N 0.567 120.958 120.400 -0.015 0.000 2.328 403 D HA 0.187 4.827 4.640 0.000 0.000 0.221 403 D C 2.335 178.619 176.300 -0.026 0.000 1.072 403 D CA 0.169 54.159 54.000 -0.016 0.000 0.850 403 D CB 0.333 41.134 40.800 0.002 0.000 0.922 403 D HN 0.271 nan 8.370 nan 0.000 0.516 404 L N 0.788 121.998 121.223 -0.023 0.000 1.997 404 L HA -0.241 4.099 4.340 0.000 0.000 0.216 404 L C 1.771 178.600 176.870 -0.069 0.000 1.074 404 L CA 1.660 56.487 54.840 -0.022 0.000 0.763 404 L CB -0.429 41.660 42.059 0.049 0.000 0.890 404 L HN -0.066 nan 8.230 nan 0.000 0.434 405 I N -1.358 119.143 120.570 -0.114 0.000 2.252 405 I HA -0.214 3.956 4.170 0.000 0.000 0.245 405 I C 2.298 178.346 176.117 -0.115 0.000 1.102 405 I CA 1.036 62.227 61.300 -0.183 0.000 1.385 405 I CB -0.859 36.915 38.000 -0.376 0.000 1.064 405 I HN 0.257 nan 8.210 nan 0.000 0.414 406 L N 0.161 121.333 121.223 -0.085 0.000 2.042 406 L HA -0.200 4.140 4.340 0.000 0.000 0.210 406 L C 2.339 179.182 176.870 -0.046 0.000 1.076 406 L CA 1.913 56.719 54.840 -0.056 0.000 0.749 406 L CB -0.409 41.628 42.059 -0.036 0.000 0.893 406 L HN 0.159 nan 8.230 nan 0.000 0.432 407 I N -1.467 119.075 120.570 -0.047 0.000 2.286 407 I HA -0.291 3.879 4.170 0.000 0.000 0.245 407 I C 2.282 178.354 176.117 -0.074 0.000 1.104 407 I CA 1.026 62.301 61.300 -0.042 0.000 1.397 407 I CB -0.238 37.743 38.000 -0.032 0.000 1.072 407 I HN 0.198 nan 8.210 nan 0.000 0.417 408 L N 0.102 121.256 121.223 -0.116 0.000 2.042 408 L HA -0.229 4.111 4.340 0.000 0.000 0.210 408 L C 2.645 179.474 176.870 -0.068 0.000 1.076 408 L CA 1.427 56.188 54.840 -0.132 0.000 0.749 408 L CB -0.536 41.434 42.059 -0.148 0.000 0.893 408 L HN 0.155 nan 8.230 nan 0.000 0.432 409 R N -0.262 120.205 120.500 -0.056 0.000 2.193 409 R HA -0.041 4.299 4.340 0.000 0.000 0.229 409 R C 0.530 176.798 176.300 -0.053 0.000 1.110 409 R CA 0.336 56.410 56.100 -0.043 0.000 0.988 409 R CB -0.296 29.976 30.300 -0.048 0.000 0.871 409 R HN 0.263 nan 8.270 nan 0.000 0.458 410 L N 3.110 124.300 121.223 -0.054 0.000 2.499 410 L HA 0.086 4.426 4.340 0.000 0.000 0.273 410 L C -1.818 174.995 176.870 -0.095 0.000 1.195 410 L CA -1.813 52.989 54.840 -0.064 0.000 0.882 410 L CB 0.049 42.137 42.059 0.049 0.000 1.133 410 L HN -0.076 nan 8.230 nan 0.000 0.483 411 P HA -0.067 nan 4.420 nan 0.000 0.269 411 P C 0.423 177.597 177.300 -0.211 0.000 1.211 411 P CA -0.004 62.987 63.100 -0.182 0.000 0.781 411 P CB 0.739 32.276 31.700 -0.272 0.000 0.877 412 S N 1.293 116.954 115.700 -0.065 0.000 2.368 412 S HA -0.089 4.381 4.470 0.000 0.000 0.224 412 S C 1.633 176.243 174.600 0.017 0.000 1.029 412 S CA 0.897 59.093 58.200 -0.006 0.000 0.988 412 S CB -0.717 62.523 63.200 0.066 0.000 0.838 412 S HN 0.662 nan 8.310 nan 0.000 0.462 413 W N 0.126 121.473 121.300 0.079 0.000 2.363 413 W HA -0.125 4.536 4.660 0.000 0.000 0.296 413 W C 1.762 178.344 176.519 0.106 0.000 1.212 413 W CA 0.565 57.956 57.345 0.077 0.000 1.260 413 W CB -1.229 28.277 29.460 0.077 0.000 1.131 413 W HN 0.390 nan 8.180 nan 0.000 0.530 414 F N 2.538 121.930 119.950 -0.930 0.000 2.234 414 F HA 0.050 4.577 4.527 0.000 0.000 0.296 414 F C 2.487 178.069 175.800 -0.363 0.000 1.089 414 F CA 1.721 59.192 58.000 -0.882 0.000 1.343 414 F CB -0.381 37.854 39.000 -1.275 0.000 1.040 414 F HN -0.293 nan 8.300 nan 0.000 0.498 415 K N -0.145 120.098 120.400 -0.262 0.000 2.063 415 K HA -0.208 4.112 4.320 0.000 0.000 0.208 415 K C 2.397 178.883 176.600 -0.189 0.000 1.048 415 K CA 1.320 57.481 56.287 -0.209 0.000 0.928 415 K CB -0.236 32.204 32.500 -0.100 0.000 0.713 415 K HN 0.133 nan 8.250 nan 0.000 0.442 416 R N 0.988 121.421 120.500 -0.111 0.000 2.062 416 R HA -0.100 4.240 4.340 0.000 0.000 0.229 416 R C 2.370 178.631 176.300 -0.065 0.000 1.128 416 R CA 1.065 57.137 56.100 -0.046 0.000 0.960 416 R CB -0.448 29.875 30.300 0.038 0.000 0.855 416 R HN 0.146 nan 8.270 nan 0.000 0.432 417 L N 1.450 122.638 121.223 -0.060 0.000 2.012 417 L HA -0.164 4.176 4.340 0.000 0.000 0.210 417 L C 2.280 179.032 176.870 -0.197 0.000 1.073 417 L CA 1.604 56.409 54.840 -0.058 0.000 0.748 417 L CB -0.712 41.393 42.059 0.076 0.000 0.891 417 L HN 0.220 nan 8.230 nan 0.000 0.431 418 L N -1.249 119.713 121.223 -0.434 0.000 2.043 418 L HA -0.272 4.069 4.340 0.000 0.000 0.212 418 L C 2.677 179.423 176.870 -0.208 0.000 1.075 418 L CA 1.855 56.441 54.840 -0.423 0.000 0.752 418 L CB -0.390 41.283 42.059 -0.643 0.000 0.891 418 L HN 0.517 nan 8.230 nan 0.000 0.432 419 S N -0.461 115.141 115.700 -0.164 0.000 2.356 419 S HA -0.168 4.302 4.470 0.000 0.000 0.223 419 S C 1.871 176.438 174.600 -0.056 0.000 1.032 419 S CA 1.079 59.229 58.200 -0.085 0.000 1.005 419 S CB -0.096 63.069 63.200 -0.059 0.000 0.867 419 S HN 0.272 nan 8.310 nan 0.000 0.449 420 L N 1.151 122.343 121.223 -0.052 0.000 2.083 420 L HA 0.035 4.376 4.340 0.000 0.000 0.209 420 L C 2.198 179.045 176.870 -0.038 0.000 1.083 420 L CA 1.264 56.085 54.840 -0.033 0.000 0.752 420 L CB -1.282 40.767 42.059 -0.018 0.000 0.899 420 L HN 0.309 nan 8.230 nan 0.000 0.433 421 L N -1.616 119.576 121.223 -0.052 0.000 2.056 421 L HA -0.174 4.166 4.340 0.000 0.000 0.207 421 L C 2.191 179.036 176.870 -0.042 0.000 1.078 421 L CA 1.180 55.993 54.840 -0.046 0.000 0.749 421 L CB -0.772 41.257 42.059 -0.051 0.000 0.901 421 L HN 0.148 nan 8.230 nan 0.000 0.433 422 L N -0.641 120.560 121.223 -0.036 0.000 2.376 422 L HA -0.118 4.222 4.340 0.000 0.000 0.219 422 L C 2.353 179.207 176.870 -0.027 0.000 1.133 422 L CA 1.211 56.052 54.840 0.001 0.000 0.816 422 L CB -1.174 40.901 42.059 0.026 0.000 0.933 422 L HN 0.306 nan 8.230 nan 0.000 0.449 423 K N 0.268 120.647 120.400 -0.034 0.000 2.032 423 K HA -0.173 4.147 4.320 0.000 0.000 0.209 423 K C -0.463 176.106 176.600 -0.052 0.000 1.048 423 K CA 1.684 57.955 56.287 -0.028 0.000 0.927 423 K CB -0.719 31.769 32.500 -0.020 0.000 0.712 423 K HN 0.211 nan 8.250 nan 0.000 0.441 424 P HA -0.144 nan 4.420 nan 0.000 0.217 424 P C 1.135 178.330 177.300 -0.175 0.000 1.150 424 P CA 0.846 63.886 63.100 -0.099 0.000 0.832 424 P CB 0.139 31.782 31.700 -0.096 0.000 0.787 425 L N -2.147 118.897 121.223 -0.299 0.000 2.130 425 L HA 0.146 4.487 4.340 0.000 0.000 0.200 425 L C 0.756 177.180 176.870 -0.742 0.000 1.075 425 L CA 1.512 55.960 54.840 -0.654 0.000 0.768 425 L CB -1.086 40.394 42.059 -0.965 0.000 0.933 425 L HN -0.150 nan 8.230 nan 0.000 0.451 426 F N 0.494 120.409 119.950 -0.058 0.000 2.531 426 F HA 0.379 4.906 4.527 0.000 0.000 0.333 426 F C -1.522 174.208 175.800 -0.117 0.000 1.292 426 F CA -2.386 55.554 58.000 -0.100 0.000 1.184 426 F CB 0.098 38.992 39.000 -0.176 0.000 1.426 426 F HN -0.014 nan 8.300 nan 0.000 0.559 427 P HA -0.206 nan 4.420 nan 0.000 0.219 427 P C 1.782 179.080 177.300 -0.004 0.000 1.146 427 P CA 1.297 64.419 63.100 0.036 0.000 0.808 427 P CB 0.416 32.168 31.700 0.087 0.000 0.779 428 R N 0.008 120.426 120.500 -0.137 0.000 2.062 428 R HA -0.010 4.330 4.340 0.000 0.000 0.229 428 R C 2.598 178.841 176.300 -0.095 0.000 1.128 428 R CA 0.988 56.968 56.100 -0.200 0.000 0.960 428 R CB -0.796 29.063 30.300 -0.734 0.000 0.855 428 R HN 0.103 nan 8.270 nan 0.000 0.432 429 L N 0.279 121.303 121.223 -0.332 0.000 2.017 429 L HA -0.143 4.197 4.340 0.000 0.000 0.208 429 L C 2.728 179.557 176.870 -0.069 0.000 1.073 429 L CA 1.383 55.998 54.840 -0.376 0.000 0.745 429 L CB -0.735 41.023 42.059 -0.502 0.000 0.894 429 L HN 0.339 nan 8.230 nan 0.000 0.432 430 A N 0.231 123.034 122.820 -0.029 0.000 1.892 430 A HA -0.249 4.071 4.320 0.000 0.000 0.218 430 A C 2.549 180.159 177.584 0.045 0.000 1.188 430 A CA 2.117 54.156 52.037 0.003 0.000 0.631 430 A CB -0.801 18.200 19.000 0.001 0.000 0.822 430 A HN 0.436 nan 8.150 nan 0.000 0.447 431 A N -1.221 121.648 122.820 0.082 0.000 1.858 431 A HA -0.034 4.286 4.320 0.000 0.000 0.216 431 A C 2.027 179.666 177.584 0.092 0.000 1.190 431 A CA 1.572 53.656 52.037 0.078 0.000 0.617 431 A CB -0.861 18.191 19.000 0.085 0.000 0.827 431 A HN 0.480 nan 8.150 nan 0.000 0.443 432 F N -0.217 119.771 119.950 0.065 0.000 2.095 432 F HA -0.193 4.334 4.527 0.000 0.000 0.298 432 F C 2.269 178.100 175.800 0.052 0.000 1.104 432 F CA 1.607 59.673 58.000 0.110 0.000 1.232 432 F CB -0.281 38.869 39.000 0.250 0.000 0.987 432 F HN 0.147 nan 8.300 nan 0.000 0.475 433 L N -0.020 121.327 121.223 0.206 0.000 2.012 433 L HA -0.309 4.031 4.340 0.000 0.000 0.210 433 L C 2.220 179.105 176.870 0.025 0.000 1.073 433 L CA 1.817 56.699 54.840 0.071 0.000 0.748 433 L CB -0.556 41.503 42.059 -0.000 0.000 0.891 433 L HN 0.205 nan 8.230 nan 0.000 0.431 434 N N 0.303 119.016 118.700 0.021 0.000 2.188 434 N HA -0.175 4.566 4.740 0.000 0.000 0.184 434 N C 1.358 176.871 175.510 0.005 0.000 1.018 434 N CA 1.187 54.239 53.050 0.003 0.000 0.858 434 N CB -0.058 38.430 38.487 0.003 0.000 0.989 434 N HN 0.268 nan 8.380 nan 0.000 0.426 435 N N -0.288 118.412 118.700 0.001 0.000 2.461 435 N HA 0.041 4.781 4.740 0.000 0.000 0.188 435 N C 0.213 175.738 175.510 0.025 0.000 1.134 435 N CA 0.213 53.255 53.050 -0.014 0.000 0.878 435 N CB 0.153 38.590 38.487 -0.083 0.000 0.972 435 N HN 0.403 nan 8.380 nan 0.000 0.456 436 M N 0.315 119.933 119.600 0.031 0.000 2.549 436 M HA 0.141 4.621 4.480 0.000 0.000 0.273 436 M C -0.041 176.257 176.300 -0.003 0.000 1.213 436 M CA 0.064 55.373 55.300 0.014 0.000 0.976 436 M CB 0.398 32.958 32.600 -0.067 0.000 1.457 436 M HN -0.165 nan 8.290 nan 0.000 0.485 437 R N 0.912 121.421 120.500 0.016 0.000 2.643 437 R HA 0.471 4.811 4.340 0.000 0.000 0.272 437 R C -2.413 173.906 176.300 0.032 0.000 0.995 437 R CA -1.704 54.405 56.100 0.015 0.000 1.032 437 R CB 0.517 30.825 30.300 0.014 0.000 1.126 437 R HN -0.063 nan 8.270 nan 0.000 0.505 438 P HA 0.121 nan 4.420 nan 0.000 0.274 438 P C -1.130 176.187 177.300 0.028 0.000 1.237 438 P CA -0.144 62.977 63.100 0.036 0.000 0.793 438 P CB 0.883 32.605 31.700 0.037 0.000 0.977 439 R N -0.504 120.008 120.500 0.019 0.000 2.810 439 R HA 0.604 4.944 4.340 0.000 0.000 0.266 439 R C -0.667 175.625 176.300 -0.014 0.000 1.061 439 R CA -0.831 55.273 56.100 0.006 0.000 0.943 439 R CB 0.404 30.708 30.300 0.007 0.000 1.237 439 R HN 0.463 nan 8.270 nan 0.000 0.459 440 S N -0.302 115.377 115.700 -0.035 0.000 2.617 440 S HA 0.372 4.842 4.470 0.000 0.000 0.269 440 S C 1.371 175.897 174.600 -0.123 0.000 1.292 440 S CA -0.259 57.895 58.200 -0.075 0.000 1.010 440 S CB 1.515 64.664 63.200 -0.086 0.000 0.944 440 S HN 0.815 nan 8.310 nan 0.000 0.536 441 A N 0.685 123.388 122.820 -0.195 0.000 1.948 441 A HA -0.187 4.134 4.320 0.000 0.000 0.220 441 A C 2.111 179.373 177.584 -0.538 0.000 1.177 441 A CA 1.968 53.799 52.037 -0.343 0.000 0.636 441 A CB -1.253 17.499 19.000 -0.412 0.000 0.815 441 A HN 1.023 nan 8.150 nan 0.000 0.449 442 E N -0.284 119.648 120.200 -0.447 0.000 2.058 442 E HA -0.240 4.110 4.350 0.000 0.000 0.194 442 E C 2.035 178.578 176.600 -0.096 0.000 0.997 442 E CA 1.587 57.782 56.400 -0.342 0.000 0.801 442 E CB -0.131 29.451 29.700 -0.198 0.000 0.746 442 E HN 0.601 nan 8.360 nan 0.000 0.450 443 K N 0.041 120.407 120.400 -0.058 0.000 2.148 443 K HA -0.133 4.188 4.320 0.000 0.000 0.204 443 K C 2.211 178.847 176.600 0.059 0.000 1.050 443 K CA 0.603 56.901 56.287 0.019 0.000 0.942 443 K CB -0.117 32.388 32.500 0.009 0.000 0.724 443 K HN 0.145 nan 8.250 nan 0.000 0.446 444 L N 0.314 121.556 121.223 0.032 0.000 2.083 444 L HA -0.152 4.188 4.340 0.000 0.000 0.209 444 L C 1.706 178.723 176.870 0.244 0.000 1.083 444 L CA 1.635 56.532 54.840 0.096 0.000 0.752 444 L CB -0.536 41.562 42.059 0.065 0.000 0.899 444 L HN 0.232 nan 8.230 nan 0.000 0.433 445 W N 0.357 121.675 121.300 0.030 0.000 2.335 445 W HA -0.219 4.441 4.660 0.000 0.000 0.311 445 W C 2.800 179.360 176.519 0.068 0.000 1.213 445 W CA 1.629 58.996 57.345 0.037 0.000 1.274 445 W CB -1.114 28.358 29.460 0.020 0.000 1.148 445 W HN 0.172 nan 8.180 nan 0.000 0.498 446 K N 0.149 120.735 120.400 0.311 0.000 2.063 446 K HA -0.197 4.123 4.320 0.000 0.000 0.208 446 K C 2.053 178.772 176.600 0.198 0.000 1.048 446 K CA 1.444 57.873 56.287 0.237 0.000 0.928 446 K CB -0.868 31.734 32.500 0.170 0.000 0.713 446 K HN 0.010 nan 8.250 nan 0.000 0.442 447 L N 1.248 122.561 121.223 0.149 0.000 2.017 447 L HA -0.167 4.173 4.340 0.000 0.000 0.208 447 L C 2.082 179.005 176.870 0.087 0.000 1.073 447 L CA 1.763 56.655 54.840 0.087 0.000 0.745 447 L CB -0.602 41.485 42.059 0.047 0.000 0.894 447 L HN 0.317 nan 8.230 nan 0.000 0.432 448 Q N -1.471 118.406 119.800 0.128 0.000 2.096 448 Q HA -0.282 4.058 4.340 0.000 0.000 0.204 448 Q C 2.180 178.263 176.000 0.139 0.000 0.982 448 Q CA 1.888 57.757 55.803 0.111 0.000 0.850 448 Q CB -0.493 28.318 28.738 0.121 0.000 0.901 448 Q HN 0.702 nan 8.270 nan 0.000 0.422 449 H N 0.749 119.855 119.070 0.059 0.000 2.357 449 H HA -0.095 4.461 4.556 0.000 0.000 0.301 449 H C 1.610 176.981 175.328 0.072 0.000 1.082 449 H CA 1.182 57.261 56.048 0.051 0.000 1.342 449 H CB 0.411 30.205 29.762 0.053 0.000 1.389 449 H HN 0.318 nan 8.280 nan 0.000 0.511 450 E N 0.456 120.670 120.200 0.023 0.000 2.077 450 E HA -0.157 4.193 4.350 0.000 0.000 0.193 450 E C 2.412 179.023 176.600 0.018 0.000 0.989 450 E CA 1.153 57.555 56.400 0.002 0.000 0.800 450 E CB 0.073 29.831 29.700 0.096 0.000 0.746 450 E HN 0.536 nan 8.360 nan 0.000 0.452 451 I N 1.133 121.704 120.570 0.001 0.000 2.208 451 I HA -0.291 3.880 4.170 0.000 0.000 0.245 451 I C 2.693 178.847 176.117 0.061 0.000 1.097 451 I CA 1.259 62.563 61.300 0.008 0.000 1.363 451 I CB -0.280 37.711 38.000 -0.014 0.000 1.051 451 I HN 0.169 nan 8.210 nan 0.000 0.413 452 E N 0.769 120.997 120.200 0.046 0.000 2.077 452 E HA -0.237 4.113 4.350 0.000 0.000 0.193 452 E C 2.328 178.947 176.600 0.031 0.000 0.989 452 E CA 1.231 57.663 56.400 0.053 0.000 0.800 452 E CB 0.123 29.875 29.700 0.087 0.000 0.746 452 E HN 0.274 nan 8.360 nan 0.000 0.452 453 M N -0.219 119.364 119.600 -0.028 0.000 2.175 453 M HA -0.125 4.356 4.480 0.000 0.000 0.264 453 M C 2.096 178.434 176.300 0.063 0.000 1.063 453 M CA 1.200 56.485 55.300 -0.025 0.000 1.119 453 M CB -1.163 31.351 32.600 -0.143 0.000 1.377 453 M HN 0.257 nan 8.290 nan 0.000 0.415 454 Y N 0.815 121.113 120.300 -0.003 0.000 2.181 454 Y HA -0.228 4.322 4.550 0.000 0.000 0.288 454 Y C 2.737 178.645 175.900 0.014 0.000 1.146 454 Y CA 1.796 59.911 58.100 0.026 0.000 1.164 454 Y CB -0.147 38.309 38.460 -0.005 0.000 0.982 454 Y HN 0.121 nan 8.280 nan 0.000 0.515 455 R N -0.068 120.412 120.500 -0.034 0.000 2.096 455 R HA -0.223 4.117 4.340 0.000 0.000 0.240 455 R C 2.183 178.474 176.300 -0.016 0.000 1.139 455 R CA 2.043 58.114 56.100 -0.048 0.000 0.952 455 R CB -0.156 30.178 30.300 0.058 0.000 0.854 455 R HN 0.426 nan 8.270 nan 0.000 0.436 456 Q N -0.525 119.274 119.800 -0.001 0.000 2.230 456 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 456 Q C 2.042 178.041 176.000 -0.001 0.000 0.963 456 Q CA 1.278 57.089 55.803 0.014 0.000 0.866 456 Q CB -0.029 28.723 28.738 0.023 0.000 0.931 456 Q HN 0.264 nan 8.270 nan 0.000 0.452 457 S N 0.112 115.783 115.700 -0.049 0.000 2.355 457 S HA -0.097 4.374 4.470 0.000 0.000 0.222 457 S C 2.035 176.608 174.600 -0.045 0.000 1.031 457 S CA 1.255 59.425 58.200 -0.049 0.000 0.993 457 S CB -0.023 63.143 63.200 -0.058 0.000 0.859 457 S HN 0.166 nan 8.310 nan 0.000 0.453 458 V N 2.060 121.887 119.914 -0.144 0.000 2.379 458 V HA -0.082 4.038 4.120 0.000 0.000 0.245 458 V C 2.348 178.601 176.094 0.266 0.000 1.044 458 V CA 1.727 64.038 62.300 0.019 0.000 1.036 458 V CB -0.719 31.017 31.823 -0.146 0.000 0.664 458 V HN 0.497 nan 8.190 nan 0.000 0.453 459 I N 0.800 121.485 120.570 0.192 0.000 2.151 459 I HA -0.317 3.853 4.170 0.000 0.000 0.243 459 I C 2.687 178.910 176.117 0.176 0.000 1.080 459 I CA 1.785 63.167 61.300 0.135 0.000 1.339 459 I CB -0.582 37.428 38.000 0.018 0.000 1.039 459 I HN 0.312 nan 8.210 nan 0.000 0.409 460 A N -0.252 122.649 122.820 0.134 0.000 1.902 460 A HA -0.278 4.042 4.320 0.000 0.000 0.217 460 A C 2.310 180.009 177.584 0.192 0.000 1.181 460 A CA 1.703 53.817 52.037 0.129 0.000 0.623 460 A CB -0.714 18.333 19.000 0.078 0.000 0.818 460 A HN 0.493 nan 8.150 nan 0.000 0.443 461 Q N -1.449 118.487 119.800 0.226 0.000 2.061 461 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 461 Q C 2.031 178.334 176.000 0.506 0.000 0.984 461 Q CA 1.876 57.852 55.803 0.289 0.000 0.846 461 Q CB -0.271 28.603 28.738 0.226 0.000 0.902 461 Q HN 0.884 nan 8.270 nan 0.000 0.421 462 W N 1.496 122.993 121.300 0.328 0.000 2.355 462 W HA -0.178 4.482 4.660 0.000 0.000 0.309 462 W C 1.474 178.021 176.519 0.046 0.000 1.206 462 W CA 1.438 58.862 57.345 0.132 0.000 1.284 462 W CB -0.155 29.344 29.460 0.066 0.000 1.145 462 W HN 0.108 nan 8.180 nan 0.000 0.502 463 K N 0.138 120.792 120.400 0.423 0.000 2.148 463 K HA -0.102 4.218 4.320 0.000 0.000 0.204 463 K C 2.253 178.950 176.600 0.163 0.000 1.050 463 K CA 1.364 57.804 56.287 0.254 0.000 0.942 463 K CB -0.527 32.072 32.500 0.164 0.000 0.724 463 K HN 0.069 nan 8.250 nan 0.000 0.446 464 A N 1.161 124.082 122.820 0.167 0.000 1.978 464 A HA -0.130 4.191 4.320 0.000 0.000 0.220 464 A C 1.928 179.573 177.584 0.101 0.000 1.170 464 A CA 1.362 53.470 52.037 0.119 0.000 0.636 464 A CB -0.207 18.862 19.000 0.116 0.000 0.810 464 A HN 0.141 nan 8.150 nan 0.000 0.448 465 M N -0.991 118.679 119.600 0.117 0.000 2.495 465 M HA 0.133 4.613 4.480 0.000 0.000 0.237 465 M C 0.581 176.872 176.300 -0.015 0.000 1.131 465 M CA 0.061 55.397 55.300 0.060 0.000 1.032 465 M CB -1.378 31.282 32.600 0.100 0.000 1.513 465 M HN 0.669 nan 8.290 nan 0.000 0.488 466 N N 1.818 120.524 118.700 0.010 0.000 2.727 466 N HA -0.164 4.577 4.740 0.000 0.000 0.249 466 N C -0.927 174.529 175.510 -0.090 0.000 1.048 466 N CA -0.145 52.906 53.050 0.002 0.000 0.714 466 N CB -0.591 37.901 38.487 0.009 0.000 0.959 466 N HN 0.357 nan 8.380 nan 0.000 0.544 467 L N 0.165 121.224 121.223 -0.273 0.000 2.439 467 L HA 0.087 4.427 4.340 0.000 0.000 0.269 467 L C 1.434 178.198 176.870 -0.176 0.000 1.179 467 L CA -0.239 54.300 54.840 -0.502 0.000 0.828 467 L CB 0.449 41.698 42.059 -1.350 0.000 1.106 467 L HN 0.164 nan 8.230 nan 0.000 0.467 468 D N 0.656 120.951 120.400 -0.174 0.000 2.259 468 D HA 0.063 4.703 4.640 0.000 0.000 0.216 468 D C 0.360 176.685 176.300 0.042 0.000 0.961 468 D CA 1.042 55.031 54.000 -0.019 0.000 0.878 468 D CB 0.703 41.443 40.800 -0.100 0.000 1.009 468 D HN 0.363 nan 8.370 nan 0.000 0.490 469 V N -1.822 117.926 119.914 -0.276 0.000 3.202 469 V HA 0.685 4.805 4.120 0.000 0.000 0.306 469 V C -1.750 174.005 176.094 -0.564 0.000 1.283 469 V CA -1.129 60.997 62.300 -0.290 0.000 1.065 469 V CB 2.692 34.133 31.823 -0.637 0.000 1.079 469 V HN -0.080 nan 8.190 nan 0.000 0.448 470 L N 1.712 122.763 121.223 -0.286 0.000 2.438 470 L HA 0.818 5.158 4.340 0.000 0.000 0.270 470 L C -1.371 175.543 176.870 0.072 0.000 0.972 470 L CA -0.586 54.132 54.840 -0.203 0.000 0.831 470 L CB 1.611 43.595 42.059 -0.126 0.000 1.273 470 L HN 0.934 nan 8.230 nan 0.000 0.405 471 L N 4.872 126.156 121.223 0.102 0.000 2.287 471 L HA 0.821 5.162 4.340 0.000 0.000 0.287 471 L C -0.097 176.737 176.870 -0.060 0.000 1.022 471 L CA 0.389 55.323 54.840 0.156 0.000 0.814 471 L CB 1.395 43.596 42.059 0.237 0.000 1.217 471 L HN 0.877 nan 8.230 nan 0.000 0.420 472 T N 2.751 117.217 114.554 -0.146 0.000 2.907 472 T HA 0.782 5.132 4.350 0.000 0.000 0.290 472 T C -2.842 171.757 174.700 -0.167 0.000 1.066 472 T CA -2.236 59.635 62.100 -0.383 0.000 1.012 472 T CB 1.870 70.558 68.868 -0.300 0.000 1.184 472 T HN 0.346 nan 8.240 nan 0.000 0.522 473 P HA 0.438 nan 4.420 nan 0.000 0.272 473 P C -0.950 176.216 177.300 -0.224 0.000 1.240 473 P CA -0.594 62.379 63.100 -0.212 0.000 0.791 473 P CB 0.293 31.762 31.700 -0.386 0.000 0.978 474 M N 1.989 121.457 119.600 -0.220 0.000 2.327 474 M HA 0.397 4.877 4.480 0.000 0.000 0.298 474 M C -1.628 174.614 176.300 -0.097 0.000 1.065 474 M CA -1.493 53.734 55.300 -0.123 0.000 0.916 474 M CB 1.175 33.737 32.600 -0.062 0.000 1.630 474 M HN 0.072 nan 8.290 nan 0.000 0.442 475 L N 4.909 126.143 121.223 0.019 0.000 2.578 475 L HA 0.569 4.909 4.340 0.000 0.000 0.279 475 L C 0.174 177.191 176.870 0.244 0.000 1.227 475 L CA 1.768 56.710 54.840 0.171 0.000 0.900 475 L CB -0.375 41.938 42.059 0.424 0.000 1.144 475 L HN 0.925 nan 8.230 nan 0.000 0.496 476 G N 4.505 113.358 108.800 0.088 0.000 2.347 476 G HA2 0.322 4.282 3.960 0.000 0.000 0.303 476 G HA3 0.322 4.282 3.960 0.000 0.000 0.303 476 G C -3.408 171.417 174.900 -0.124 0.000 1.481 476 G CA -0.653 44.424 45.100 -0.038 0.000 0.914 476 G HN 0.526 nan 8.290 nan 0.000 0.638 477 P HA 0.592 nan 4.420 nan 0.000 0.285 477 P C 0.181 177.142 177.300 -0.565 0.000 1.280 477 P CA -0.063 62.853 63.100 -0.305 0.000 0.862 477 P CB 1.348 32.904 31.700 -0.240 0.000 1.153 478 A N 1.887 124.232 122.820 -0.792 0.000 2.598 478 A HA 0.061 4.381 4.320 0.000 0.000 0.239 478 A C 0.662 177.862 177.584 -0.641 0.000 1.032 478 A CA 0.311 51.627 52.037 -1.201 0.000 0.760 478 A CB -0.975 17.700 19.000 -0.541 0.000 0.946 478 A HN 0.441 nan 8.150 nan 0.000 0.512 479 L N 2.105 123.002 121.223 -0.544 0.000 2.453 479 L HA 0.170 4.510 4.340 0.000 0.000 0.261 479 L C 0.349 177.147 176.870 -0.120 0.000 1.179 479 L CA -0.809 53.913 54.840 -0.197 0.000 0.813 479 L CB 0.089 42.117 42.059 -0.052 0.000 1.110 479 L HN 0.647 nan 8.230 nan 0.000 0.466 480 D N 0.897 121.242 120.400 -0.091 0.000 2.390 480 D HA 0.183 4.823 4.640 0.000 0.000 0.236 480 D C 0.171 176.442 176.300 -0.049 0.000 1.189 480 D CA -0.040 53.923 54.000 -0.061 0.000 0.887 480 D CB 0.503 41.270 40.800 -0.055 0.000 1.198 480 D HN 0.197 nan 8.370 nan 0.000 0.444 481 L N 2.473 123.676 121.223 -0.033 0.000 2.543 481 L HA -0.068 4.272 4.340 0.000 0.000 0.285 481 L C 1.059 177.898 176.870 -0.052 0.000 1.236 481 L CA 0.120 54.941 54.840 -0.032 0.000 0.871 481 L CB 0.015 42.062 42.059 -0.020 0.000 1.121 481 L HN 0.447 nan 8.230 nan 0.000 0.501 482 N N -0.042 118.617 118.700 -0.069 0.000 2.741 482 N HA -0.207 4.533 4.740 0.000 0.000 0.251 482 N C 0.926 176.375 175.510 -0.101 0.000 1.112 482 N CA 1.297 54.298 53.050 -0.081 0.000 0.750 482 N CB -1.182 37.273 38.487 -0.053 0.000 1.119 482 N HN 0.973 nan 8.380 nan 0.000 0.561 483 T N -4.343 110.136 114.554 -0.126 0.000 3.018 483 T HA 0.175 4.525 4.350 0.000 0.000 0.246 483 T C -1.177 173.383 174.700 -0.232 0.000 1.026 483 T CA 0.249 62.268 62.100 -0.135 0.000 1.081 483 T CB -0.033 68.781 68.868 -0.090 0.000 0.970 483 T HN -0.079 nan 8.240 nan 0.000 0.475 484 P HA -0.040 nan 4.420 nan 0.000 0.216 484 P C 1.855 178.761 177.300 -0.658 0.000 1.154 484 P CA 1.721 64.310 63.100 -0.851 0.000 0.865 484 P CB -0.731 30.131 31.700 -1.397 0.000 0.789 485 G N -0.833 107.708 108.800 -0.431 0.000 2.527 485 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 485 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 485 G C 1.432 176.203 174.900 -0.214 0.000 1.117 485 G CA 0.433 45.366 45.100 -0.279 0.000 0.759 485 G HN 0.312 nan 8.290 nan 0.000 0.556 486 R N -0.595 119.785 120.500 -0.199 0.000 2.508 486 R HA 0.396 4.736 4.340 0.000 0.000 0.300 486 R C 0.580 176.788 176.300 -0.153 0.000 0.970 486 R CA 0.278 56.314 56.100 -0.106 0.000 1.102 486 R CB 0.919 31.202 30.300 -0.029 0.000 1.246 486 R HN 0.194 nan 8.270 nan 0.000 0.539 487 A N 0.406 123.050 122.820 -0.294 0.000 3.214 487 A HA 0.226 4.547 4.320 0.000 0.000 0.304 487 A C 0.662 177.962 177.584 -0.472 0.000 0.969 487 A CA -0.431 51.437 52.037 -0.283 0.000 0.986 487 A CB 0.195 19.176 19.000 -0.032 0.000 1.073 487 A HN 0.004 nan 8.150 nan 0.000 0.487 488 T N -0.166 113.685 114.554 -1.172 0.000 2.821 488 T HA -0.096 4.254 4.350 0.000 0.000 0.267 488 T C 2.143 176.346 174.700 -0.829 0.000 1.046 488 T CA 1.918 63.398 62.100 -1.034 0.000 1.139 488 T CB -0.085 67.922 68.868 -1.434 0.000 0.871 488 T HN 0.695 nan 8.240 nan 0.000 0.454 489 G N 1.303 109.517 108.800 -0.976 0.000 2.475 489 G HA2 -0.113 3.847 3.960 0.000 0.000 0.220 489 G HA3 -0.113 3.847 3.960 0.000 0.000 0.220 489 G C 1.575 176.559 174.900 0.140 0.000 1.125 489 G CA 0.772 45.811 45.100 -0.102 0.000 0.755 489 G HN 0.611 nan 8.290 nan 0.000 0.565 490 A N 0.441 123.305 122.820 0.072 0.000 2.239 490 A HA 0.274 4.595 4.320 0.000 0.000 0.209 490 A C 2.307 179.980 177.584 0.149 0.000 1.171 490 A CA 1.242 53.394 52.037 0.193 0.000 0.768 490 A CB -0.369 18.756 19.000 0.210 0.000 0.790 490 A HN 0.872 nan 8.150 nan 0.000 0.478 491 V N -1.775 118.175 119.914 0.059 0.000 3.573 491 V HA -0.086 4.034 4.120 0.000 0.000 0.270 491 V C 2.081 178.255 176.094 0.134 0.000 1.221 491 V CA 1.542 63.927 62.300 0.140 0.000 1.163 491 V CB -1.223 30.641 31.823 0.069 0.000 0.847 491 V HN 0.607 nan 8.190 nan 0.000 0.468 492 S N 0.396 116.180 115.700 0.140 0.000 2.374 492 S HA -0.288 4.182 4.470 0.000 0.000 0.227 492 S C 1.840 176.405 174.600 -0.058 0.000 1.037 492 S CA 1.938 60.135 58.200 -0.004 0.000 1.024 492 S CB -1.132 62.091 63.200 0.039 0.000 0.861 492 S HN 0.633 nan 8.310 nan 0.000 0.456 493 Y N 2.995 123.384 120.300 0.149 0.000 2.293 493 Y HA -0.055 4.495 4.550 0.000 0.000 0.291 493 Y C 3.234 179.204 175.900 0.117 0.000 1.137 493 Y CA 1.470 59.675 58.100 0.175 0.000 1.202 493 Y CB -0.763 37.807 38.460 0.183 0.000 0.990 493 Y HN 0.618 nan 8.280 nan 0.000 0.537 494 T N -3.673 110.939 114.554 0.098 0.000 3.033 494 T HA -0.053 4.297 4.350 0.000 0.000 0.248 494 T C 1.831 176.523 174.700 -0.013 0.000 1.040 494 T CA 0.565 62.654 62.100 -0.018 0.000 1.133 494 T CB -0.487 68.133 68.868 -0.413 0.000 0.895 494 T HN 0.277 nan 8.240 nan 0.000 0.465 495 M N 0.807 120.383 119.600 -0.041 0.000 2.374 495 M HA 0.150 4.630 4.480 0.000 0.000 0.264 495 M C 1.992 178.201 176.300 -0.151 0.000 1.067 495 M CA 0.888 56.153 55.300 -0.059 0.000 1.103 495 M CB -0.373 32.212 32.600 -0.024 0.000 1.402 495 M HN 0.271 nan 8.290 nan 0.000 0.444 496 L N -0.027 121.037 121.223 -0.264 0.000 2.043 496 L HA -0.223 4.117 4.340 0.000 0.000 0.212 496 L C 1.423 177.952 176.870 -0.569 0.000 1.075 496 L CA 2.078 56.630 54.840 -0.480 0.000 0.752 496 L CB -0.781 40.875 42.059 -0.673 0.000 0.891 496 L HN 0.376 nan 8.230 nan 0.000 0.432 497 Y N -0.983 119.283 120.300 -0.056 0.000 2.523 497 Y HA 0.067 4.618 4.550 0.000 0.000 0.279 497 Y C 2.149 178.010 175.900 -0.065 0.000 1.139 497 Y CA 0.689 58.740 58.100 -0.081 0.000 1.296 497 Y CB -0.759 37.706 38.460 0.009 0.000 1.045 497 Y HN 0.344 nan 8.280 nan 0.000 0.538 498 N N -0.991 117.714 118.700 0.008 0.000 2.171 498 N HA -0.164 4.576 4.740 0.000 0.000 0.184 498 N C 1.922 177.404 175.510 -0.046 0.000 1.021 498 N CA 1.345 54.391 53.050 -0.007 0.000 0.854 498 N CB -0.529 37.951 38.487 -0.011 0.000 0.994 498 N HN 0.313 nan 8.380 nan 0.000 0.426 499 C N 0.574 119.815 119.300 -0.098 0.000 2.432 499 C HA 0.050 4.510 4.460 0.000 0.000 0.277 499 C C 2.246 177.189 174.990 -0.079 0.000 1.249 499 C CA 0.599 59.552 59.018 -0.108 0.000 1.725 499 C CB -1.175 26.464 27.740 -0.168 0.000 2.028 499 C HN 0.421 nan 8.230 nan 0.000 0.477 500 L N 0.305 121.437 121.223 -0.152 0.000 2.376 500 L HA 0.015 4.355 4.340 0.000 0.000 0.219 500 L C 0.937 177.779 176.870 -0.047 0.000 1.133 500 L CA 1.383 56.072 54.840 -0.251 0.000 0.816 500 L CB -0.550 41.019 42.059 -0.817 0.000 0.933 500 L HN 0.403 nan 8.230 nan 0.000 0.449 501 D N 0.058 120.468 120.400 0.017 0.000 2.737 501 D HA -0.256 4.384 4.640 0.000 0.000 0.238 501 D C -0.483 175.971 176.300 0.257 0.000 1.157 501 D CA 0.613 54.661 54.000 0.080 0.000 0.694 501 D CB -1.185 39.621 40.800 0.009 0.000 1.021 501 D HN 0.168 nan 8.370 nan 0.000 0.420 502 F N -0.011 119.923 119.950 -0.026 0.000 2.458 502 F HA 0.473 5.001 4.527 0.000 0.000 0.330 502 F C -1.427 174.329 175.800 -0.074 0.000 1.082 502 F CA -2.514 55.438 58.000 -0.080 0.000 0.995 502 F CB 1.861 40.864 39.000 0.004 0.000 1.170 502 F HN -0.127 nan 8.300 nan 0.000 0.478 503 P HA 0.151 nan 4.420 nan 0.000 0.271 503 P C -1.344 175.981 177.300 0.040 0.000 1.216 503 P CA -0.003 63.108 63.100 0.018 0.000 0.771 503 P CB 1.122 32.810 31.700 -0.021 0.000 0.864 504 A N 2.805 125.642 122.820 0.028 0.000 2.427 504 A HA 0.751 5.071 4.320 0.000 0.000 0.298 504 A C -0.261 177.321 177.584 -0.004 0.000 1.036 504 A CA -0.484 51.546 52.037 -0.011 0.000 0.701 504 A CB 1.669 20.651 19.000 -0.029 0.000 1.250 504 A HN 0.575 nan 8.150 nan 0.000 0.412 505 G N -0.140 108.653 108.800 -0.010 0.000 2.569 505 G HA2 0.801 4.761 3.960 0.000 0.000 0.300 505 G HA3 0.801 4.761 3.960 0.000 0.000 0.300 505 G C -0.728 174.147 174.900 -0.042 0.000 1.269 505 G CA -0.119 44.972 45.100 -0.015 0.000 0.959 505 G HN 1.928 nan 8.290 nan 0.000 0.478 506 V N -2.023 117.865 119.914 -0.043 0.000 2.735 506 V HA 0.868 4.989 4.120 0.000 0.000 0.310 506 V C -0.769 175.295 176.094 -0.049 0.000 1.061 506 V CA -1.025 61.242 62.300 -0.055 0.000 0.913 506 V CB 1.474 33.265 31.823 -0.052 0.000 1.005 506 V HN 0.629 nan 8.190 nan 0.000 0.428 507 V N 4.261 124.135 119.914 -0.068 0.000 2.638 507 V HA 0.556 4.676 4.120 0.000 0.000 0.306 507 V C -2.596 173.465 176.094 -0.055 0.000 1.052 507 V CA -1.878 60.385 62.300 -0.062 0.000 0.885 507 V CB 2.276 34.039 31.823 -0.101 0.000 0.999 507 V HN 0.880 nan 8.190 nan 0.000 0.424 508 P HA 0.212 nan 4.420 nan 0.000 0.276 508 P C 0.403 177.674 177.300 -0.048 0.000 1.235 508 P CA 0.089 63.165 63.100 -0.040 0.000 0.772 508 P CB 1.158 32.845 31.700 -0.020 0.000 0.871 509 V N -0.039 119.839 119.914 -0.060 0.000 3.497 509 V HA 0.370 4.490 4.120 0.000 0.000 0.272 509 V C 0.399 176.461 176.094 -0.053 0.000 1.474 509 V CA 0.585 62.851 62.300 -0.057 0.000 1.025 509 V CB 0.328 32.112 31.823 -0.065 0.000 0.820 509 V HN 0.583 nan 8.190 nan 0.000 0.437 510 T N 0.611 115.125 114.554 -0.067 0.000 2.718 510 T HA 0.565 4.915 4.350 0.000 0.000 0.306 510 T C -0.834 173.803 174.700 -0.105 0.000 1.485 510 T CA 0.524 62.583 62.100 -0.069 0.000 0.997 510 T CB 1.748 70.581 68.868 -0.058 0.000 1.504 510 T HN 0.840 nan 8.240 nan 0.000 0.497 511 T N -0.562 113.931 114.554 -0.102 0.000 2.932 511 T HA 0.729 5.079 4.350 0.000 0.000 0.289 511 T C -0.272 174.364 174.700 -0.106 0.000 1.039 511 T CA -0.697 61.318 62.100 -0.142 0.000 1.024 511 T CB 1.199 69.977 68.868 -0.149 0.000 1.090 511 T HN 0.492 nan 8.240 nan 0.000 0.496 512 V N 3.474 123.315 119.914 -0.121 0.000 2.585 512 V HA 0.329 4.449 4.120 0.000 0.000 0.296 512 V C 1.354 177.411 176.094 -0.062 0.000 1.035 512 V CA -0.114 62.132 62.300 -0.090 0.000 1.084 512 V CB 0.398 32.159 31.823 -0.102 0.000 0.953 512 V HN 1.209 nan 8.190 nan 0.000 0.483 513 T N 2.426 116.953 114.554 -0.044 0.000 2.902 513 T HA 0.572 4.922 4.350 0.000 0.000 0.280 513 T C 1.337 176.023 174.700 -0.024 0.000 0.992 513 T CA -0.113 61.970 62.100 -0.028 0.000 1.015 513 T CB 1.691 70.547 68.868 -0.020 0.000 1.044 513 T HN 0.739 nan 8.240 nan 0.000 0.520 514 A N 0.370 123.180 122.820 -0.016 0.000 1.927 514 A HA -0.179 4.141 4.320 0.000 0.000 0.220 514 A C 2.260 179.838 177.584 -0.011 0.000 1.185 514 A CA 2.179 54.208 52.037 -0.012 0.000 0.639 514 A CB -1.186 17.810 19.000 -0.007 0.000 0.820 514 A HN 1.032 nan 8.150 nan 0.000 0.451 515 E N -0.573 119.622 120.200 -0.008 0.000 2.072 515 E HA -0.217 4.133 4.350 0.000 0.000 0.191 515 E C 1.330 177.928 176.600 -0.004 0.000 0.985 515 E CA 1.174 57.572 56.400 -0.004 0.000 0.801 515 E CB -0.134 29.565 29.700 -0.001 0.000 0.750 515 E HN 0.553 nan 8.360 nan 0.000 0.452 516 D N 0.551 120.944 120.400 -0.011 0.000 2.123 516 D HA -0.177 4.463 4.640 0.000 0.000 0.196 516 D C 1.543 177.832 176.300 -0.019 0.000 0.992 516 D CA 1.360 55.351 54.000 -0.014 0.000 0.833 516 D CB -0.317 40.465 40.800 -0.029 0.000 0.954 516 D HN 0.259 nan 8.370 nan 0.000 0.455 517 D N -0.263 120.122 120.400 -0.025 0.000 2.149 517 D HA 0.001 4.641 4.640 0.000 0.000 0.201 517 D C 1.968 178.257 176.300 -0.018 0.000 0.972 517 D CA 1.191 55.172 54.000 -0.031 0.000 0.835 517 D CB 0.083 40.862 40.800 -0.034 0.000 0.966 517 D HN 0.083 nan 8.370 nan 0.000 0.476 518 A N 0.132 122.946 122.820 -0.009 0.000 1.902 518 A HA -0.211 4.109 4.320 0.000 0.000 0.217 518 A C 2.079 179.669 177.584 0.009 0.000 1.181 518 A CA 1.378 53.415 52.037 -0.001 0.000 0.623 518 A CB -0.644 18.357 19.000 0.001 0.000 0.818 518 A HN 0.300 nan 8.150 nan 0.000 0.443 519 Q N -1.237 118.571 119.800 0.013 0.000 2.364 519 Q HA -0.036 4.304 4.340 0.000 0.000 0.207 519 Q C 1.860 177.889 176.000 0.050 0.000 0.970 519 Q CA 0.778 56.599 55.803 0.029 0.000 0.888 519 Q CB -0.179 28.578 28.738 0.031 0.000 0.951 519 Q HN 0.496 nan 8.270 nan 0.000 0.469 520 M N 0.357 119.975 119.600 0.029 0.000 2.267 520 M HA -0.171 4.310 4.480 0.000 0.000 0.263 520 M C 1.318 177.657 176.300 0.065 0.000 1.063 520 M CA 1.488 56.807 55.300 0.032 0.000 1.090 520 M CB -0.474 32.094 32.600 -0.053 0.000 1.392 520 M HN 0.208 nan 8.290 nan 0.000 0.422 521 E N -0.252 119.973 120.200 0.042 0.000 2.409 521 E HA -0.094 4.256 4.350 0.000 0.000 0.198 521 E C 1.621 178.257 176.600 0.060 0.000 1.024 521 E CA 0.556 56.982 56.400 0.043 0.000 0.861 521 E CB -0.046 29.668 29.700 0.023 0.000 0.788 521 E HN 0.474 nan 8.360 nan 0.000 0.521 522 L N -0.195 121.071 121.223 0.072 0.000 2.607 522 L HA 0.106 4.446 4.340 0.000 0.000 0.228 522 L C 0.378 177.297 176.870 0.081 0.000 1.123 522 L CA -0.448 54.428 54.840 0.060 0.000 0.890 522 L CB 0.099 42.182 42.059 0.039 0.000 1.103 522 L HN 0.149 nan 8.230 nan 0.000 0.468 523 Y N 1.769 122.059 120.300 -0.017 0.000 2.544 523 Y HA -0.055 4.495 4.550 0.000 0.000 0.330 523 Y C 1.190 177.073 175.900 -0.029 0.000 1.136 523 Y CA 0.618 58.701 58.100 -0.028 0.000 1.417 523 Y CB 0.471 38.916 38.460 -0.024 0.000 1.229 523 Y HN -0.049 nan 8.280 nan 0.000 0.532 524 K N 4.193 124.370 120.400 -0.372 0.000 2.387 524 K HA 0.317 4.637 4.320 0.000 0.000 0.197 524 K C 0.533 176.918 176.600 -0.359 0.000 1.127 524 K CA 0.500 56.645 56.287 -0.236 0.000 0.950 524 K CB 0.506 32.910 32.500 -0.161 0.000 1.017 524 K HN 0.984 nan 8.250 nan 0.000 0.519 525 G N 0.719 109.040 108.800 -0.798 0.000 2.746 525 G HA2 -0.259 3.701 3.960 0.000 0.000 0.685 525 G HA3 -0.259 3.701 3.960 0.000 0.000 0.685 525 G C -0.196 174.435 174.900 -0.447 0.000 1.350 525 G CA -0.475 44.259 45.100 -0.611 0.000 0.837 525 G HN 0.132 nan 8.290 nan 0.000 0.564 526 Y N -0.284 119.907 120.300 -0.182 0.000 2.517 526 Y HA 0.368 4.918 4.550 0.000 0.000 0.281 526 Y C 2.355 177.918 175.900 -0.561 0.000 1.125 526 Y CA 1.195 59.056 58.100 -0.397 0.000 1.283 526 Y CB -0.030 38.086 38.460 -0.573 0.000 1.042 526 Y HN 0.448 nan 8.280 nan 0.000 0.547 527 F N -1.916 118.075 119.950 0.069 0.000 2.637 527 F HA 0.376 4.903 4.527 0.000 0.000 0.284 527 F C 2.039 177.881 175.800 0.070 0.000 1.105 527 F CA 0.530 58.565 58.000 0.057 0.000 1.356 527 F CB -0.002 39.014 39.000 0.026 0.000 1.096 527 F HN -0.061 nan 8.300 nan 0.000 0.616 528 G N 1.266 110.193 108.800 0.212 0.000 2.155 528 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 528 G HA3 -0.297 3.663 3.960 0.000 0.000 0.257 528 G C -0.275 174.720 174.900 0.158 0.000 0.983 528 G CA 0.437 45.629 45.100 0.153 0.000 0.676 528 G HN 0.455 nan 8.290 nan 0.000 0.528 529 D N -0.735 119.734 120.400 0.116 0.000 2.423 529 D HA 0.487 5.127 4.640 0.000 0.000 0.255 529 D C 1.486 177.656 176.300 -0.218 0.000 1.174 529 D CA -0.842 53.035 54.000 -0.205 0.000 1.008 529 D CB 0.349 40.936 40.800 -0.356 0.000 1.101 529 D HN 0.107 nan 8.370 nan 0.000 0.516 530 I N -0.319 120.003 120.570 -0.413 0.000 2.399 530 I HA -0.172 3.998 4.170 0.000 0.000 0.254 530 I C 1.112 177.258 176.117 0.048 0.000 1.146 530 I CA 1.014 62.192 61.300 -0.204 0.000 1.412 530 I CB -0.472 37.373 38.000 -0.259 0.000 1.076 530 I HN 0.438 nan 8.210 nan 0.000 0.432 531 W N 0.586 121.817 121.300 -0.115 0.000 2.418 531 W HA -0.094 4.566 4.660 0.001 0.000 0.292 531 W C 2.365 178.897 176.519 0.021 0.000 1.213 531 W CA 0.754 58.063 57.345 -0.061 0.000 1.283 531 W CB -1.423 27.980 29.460 -0.094 0.000 1.119 531 W HN 0.171 nan 8.180 nan 0.000 0.542 532 D N 0.026 120.591 120.400 0.276 0.000 2.117 532 D HA -0.107 4.533 4.640 0.000 0.000 0.198 532 D C 2.260 178.696 176.300 0.227 0.000 0.982 532 D CA 1.208 55.375 54.000 0.279 0.000 0.828 532 D CB -0.483 40.458 40.800 0.234 0.000 0.967 532 D HN 0.114 nan 8.370 nan 0.000 0.464 533 I N 0.834 121.489 120.570 0.141 0.000 2.179 533 I HA -0.232 3.938 4.170 0.000 0.000 0.242 533 I C 2.264 178.426 176.117 0.075 0.000 1.088 533 I CA 0.627 61.984 61.300 0.095 0.000 1.357 533 I CB -0.016 38.009 38.000 0.043 0.000 1.051 533 I HN -0.010 nan 8.210 nan 0.000 0.409 534 I N 0.033 120.649 120.570 0.076 0.000 2.315 534 I HA -0.246 3.925 4.170 0.000 0.000 0.248 534 I C 2.503 178.631 176.117 0.018 0.000 1.117 534 I CA 1.461 62.786 61.300 0.042 0.000 1.404 534 I CB -0.911 37.116 38.000 0.046 0.000 1.071 534 I HN 0.246 nan 8.210 nan 0.000 0.419 535 L N 1.192 122.441 121.223 0.043 0.000 2.046 535 L HA -0.224 4.116 4.340 0.000 0.000 0.208 535 L C 2.622 179.404 176.870 -0.146 0.000 1.077 535 L CA 1.886 56.710 54.840 -0.026 0.000 0.747 535 L CB -0.659 41.413 42.059 0.021 0.000 0.896 535 L HN 0.128 nan 8.230 nan 0.000 0.432 536 K N -0.312 120.020 120.400 -0.113 0.000 2.020 536 K HA -0.276 4.044 4.320 0.000 0.000 0.212 536 K C 2.134 178.670 176.600 -0.107 0.000 1.050 536 K CA 2.168 58.361 56.287 -0.157 0.000 0.929 536 K CB -0.107 32.428 32.500 0.058 0.000 0.714 536 K HN 0.314 nan 8.250 nan 0.000 0.443 537 K N -0.289 120.081 120.400 -0.049 0.000 2.148 537 K HA -0.064 4.256 4.320 0.000 0.000 0.204 537 K C 2.050 178.611 176.600 -0.064 0.000 1.050 537 K CA 1.094 57.355 56.287 -0.043 0.000 0.942 537 K CB -0.054 32.432 32.500 -0.022 0.000 0.724 537 K HN 0.223 nan 8.250 nan 0.000 0.446 538 A N 0.771 123.547 122.820 -0.074 0.000 2.014 538 A HA -0.035 4.286 4.320 0.000 0.000 0.218 538 A C 1.886 179.402 177.584 -0.113 0.000 1.163 538 A CA 1.054 53.042 52.037 -0.082 0.000 0.652 538 A CB -0.263 18.695 19.000 -0.070 0.000 0.808 538 A HN 0.171 nan 8.150 nan 0.000 0.449 539 M N -0.550 118.965 119.600 -0.143 0.000 2.495 539 M HA 0.095 4.575 4.480 0.000 0.000 0.237 539 M C 0.809 177.026 176.300 -0.139 0.000 1.131 539 M CA 0.160 55.359 55.300 -0.169 0.000 1.032 539 M CB -0.065 32.407 32.600 -0.213 0.000 1.513 539 M HN 0.247 nan 8.290 nan 0.000 0.488 540 K N 2.157 122.491 120.400 -0.109 0.000 2.380 540 K HA -0.075 4.245 4.320 0.000 0.000 0.267 540 K C 0.189 176.747 176.600 -0.070 0.000 0.990 540 K CA 0.422 56.661 56.287 -0.079 0.000 0.946 540 K CB 0.224 32.689 32.500 -0.058 0.000 0.937 540 K HN 0.284 nan 8.250 nan 0.000 0.491 541 N N 1.509 120.177 118.700 -0.055 0.000 2.671 541 N HA -0.181 4.559 4.740 0.000 0.000 0.261 541 N C -1.081 174.397 175.510 -0.053 0.000 1.053 541 N CA 0.334 53.358 53.050 -0.044 0.000 0.732 541 N CB -0.611 37.857 38.487 -0.032 0.000 0.887 541 N HN 0.493 nan 8.380 nan 0.000 0.546 542 S N 0.034 115.694 115.700 -0.065 0.000 2.730 542 S HA 0.124 4.594 4.470 0.000 0.000 0.244 542 S C 0.268 174.823 174.600 -0.075 0.000 1.022 542 S CA -0.399 57.751 58.200 -0.085 0.000 1.014 542 S CB 0.975 64.101 63.200 -0.123 0.000 0.963 542 S HN 0.306 nan 8.310 nan 0.000 0.540 543 V N 2.133 122.017 119.914 -0.049 0.000 2.720 543 V HA 0.254 4.374 4.120 0.000 0.000 0.307 543 V C 1.605 177.679 176.094 -0.033 0.000 1.071 543 V CA 1.395 63.672 62.300 -0.039 0.000 1.199 543 V CB -0.234 31.578 31.823 -0.019 0.000 0.900 543 V HN 0.669 nan 8.190 nan 0.000 0.494 544 G N 3.372 112.143 108.800 -0.048 0.000 2.225 544 G HA2 -0.231 3.730 3.960 0.000 0.000 0.254 544 G HA3 -0.231 3.730 3.960 0.000 0.000 0.254 544 G C 0.080 174.885 174.900 -0.158 0.000 0.988 544 G CA 0.162 45.238 45.100 -0.040 0.000 0.625 544 G HN 0.583 nan 8.290 nan 0.000 0.527 545 L N 2.724 123.822 121.223 -0.209 0.000 2.417 545 L HA 0.402 4.742 4.340 0.000 0.000 0.268 545 L C -1.377 175.222 176.870 -0.452 0.000 1.158 545 L CA -1.976 52.628 54.840 -0.393 0.000 0.819 545 L CB 0.755 42.648 42.059 -0.277 0.000 1.112 545 L HN 0.002 nan 8.230 nan 0.000 0.458 546 P HA 0.176 nan 4.420 nan 0.000 0.274 546 P C -1.092 176.054 177.300 -0.257 0.000 1.231 546 P CA -0.199 62.630 63.100 -0.450 0.000 0.790 546 P CB 1.453 32.834 31.700 -0.531 0.000 0.951 547 V N 1.174 120.985 119.914 -0.170 0.000 2.760 547 V HA 0.678 4.798 4.120 0.000 0.000 0.309 547 V C 0.112 176.158 176.094 -0.079 0.000 1.077 547 V CA -0.796 61.438 62.300 -0.109 0.000 0.910 547 V CB 1.724 33.484 31.823 -0.105 0.000 1.008 547 V HN 0.806 nan 8.190 nan 0.000 0.424 548 A N 3.394 126.183 122.820 -0.053 0.000 2.313 548 A HA 1.011 5.332 4.320 0.000 0.000 0.323 548 A C -0.354 177.190 177.584 -0.067 0.000 1.133 548 A CA -0.469 51.537 52.037 -0.052 0.000 0.847 548 A CB 1.992 20.976 19.000 -0.027 0.000 1.308 548 A HN 1.567 nan 8.150 nan 0.000 0.475 549 V N -1.582 118.284 119.914 -0.080 0.000 3.177 549 V HA 0.792 4.913 4.120 0.000 0.000 0.319 549 V C -0.443 175.597 176.094 -0.090 0.000 1.125 549 V CA -0.694 61.552 62.300 -0.089 0.000 1.029 549 V CB 1.418 33.182 31.823 -0.098 0.000 1.119 549 V HN 1.045 nan 8.190 nan 0.000 0.452 550 Q N 0.068 119.820 119.800 -0.079 0.000 2.353 550 Q HA 0.606 4.947 4.340 0.000 0.000 0.268 550 Q C -1.772 174.199 176.000 -0.049 0.000 1.045 550 Q CA -0.561 55.204 55.803 -0.063 0.000 0.811 550 Q CB 2.093 30.817 28.738 -0.024 0.000 1.305 550 Q HN 0.984 nan 8.270 nan 0.000 0.447 551 C N 3.368 122.644 119.300 -0.040 0.000 2.345 551 C HA 0.768 5.228 4.460 0.000 0.000 0.323 551 C C -0.534 174.507 174.990 0.086 0.000 1.276 551 C CA -0.563 58.501 59.018 0.077 0.000 1.543 551 C CB 0.790 28.515 27.740 -0.025 0.000 2.211 551 C HN 0.642 nan 8.230 nan 0.000 0.493 552 V N 2.594 122.591 119.914 0.139 0.000 2.823 552 V HA 0.947 5.067 4.120 0.000 0.000 0.312 552 V C 0.192 176.441 176.094 0.257 0.000 1.072 552 V CA -0.244 62.105 62.300 0.081 0.000 0.937 552 V CB 1.751 33.486 31.823 -0.147 0.000 1.013 552 V HN 1.091 nan 8.190 nan 0.000 0.430 553 A N 3.013 125.930 122.820 0.161 0.000 2.483 553 A HA 0.926 5.246 4.320 0.000 0.000 0.286 553 A C -0.792 176.549 177.584 -0.405 0.000 1.207 553 A CA -0.828 51.247 52.037 0.063 0.000 0.764 553 A CB 1.113 20.126 19.000 0.022 0.000 1.341 553 A HN 0.738 nan 8.150 nan 0.000 0.428 554 L N 0.526 121.305 121.223 -0.740 0.000 2.476 554 L HA 0.280 4.620 4.340 0.000 0.000 0.255 554 L C -2.055 174.356 176.870 -0.764 0.000 1.218 554 L CA -1.688 52.422 54.840 -1.216 0.000 0.819 554 L CB 0.153 41.592 42.059 -1.034 0.000 1.119 554 L HN 0.382 nan 8.230 nan 0.000 0.485 555 P HA -0.114 nan 4.420 nan 0.000 0.264 555 P C -0.833 176.284 177.300 -0.305 0.000 1.183 555 P CA 0.468 63.225 63.100 -0.572 0.000 0.763 555 P CB 0.092 31.491 31.700 -0.502 0.000 0.807 556 W N 0.314 121.544 121.300 -0.117 0.000 2.062 556 W HA -0.210 4.450 4.660 -0.000 0.000 0.257 556 W C 0.377 176.845 176.519 -0.085 0.000 1.024 556 W CA 0.206 57.504 57.345 -0.079 0.000 0.471 556 W CB -2.494 26.918 29.460 -0.080 0.000 2.039 556 W HN 0.456 nan 8.180 nan 0.000 1.321 557 Q N 0.381 120.190 119.800 0.015 0.000 2.579 557 Q HA 0.123 4.463 4.340 0.000 0.000 0.344 557 Q C 1.064 177.073 176.000 0.015 0.000 0.997 557 Q CA -0.072 55.728 55.803 -0.003 0.000 0.991 557 Q CB 0.244 28.944 28.738 -0.063 0.000 1.279 557 Q HN 0.228 nan 8.270 nan 0.000 0.420 558 E N 0.931 121.158 120.200 0.046 0.000 2.153 558 E HA -0.211 4.139 4.350 0.000 0.000 0.194 558 E C 1.129 177.786 176.600 0.095 0.000 0.988 558 E CA 1.252 57.700 56.400 0.079 0.000 0.811 558 E CB 0.247 30.022 29.700 0.124 0.000 0.746 558 E HN 0.403 nan 8.360 nan 0.000 0.466 559 E N -0.029 120.177 120.200 0.010 0.000 2.072 559 E HA -0.131 4.219 4.350 0.000 0.000 0.191 559 E C 1.815 178.489 176.600 0.123 0.000 0.985 559 E CA 0.546 56.933 56.400 -0.021 0.000 0.801 559 E CB -0.163 29.368 29.700 -0.282 0.000 0.750 559 E HN 0.112 nan 8.360 nan 0.000 0.452 560 L N 0.408 121.674 121.223 0.073 0.000 2.056 560 L HA -0.113 4.228 4.340 0.000 0.000 0.207 560 L C 2.218 179.179 176.870 0.151 0.000 1.078 560 L CA 1.505 56.398 54.840 0.088 0.000 0.749 560 L CB -0.750 41.335 42.059 0.043 0.000 0.901 560 L HN 0.321 nan 8.230 nan 0.000 0.433 561 C N -0.610 118.776 119.300 0.144 0.000 2.413 561 C HA -0.192 4.268 4.460 0.000 0.000 0.276 561 C C 2.787 177.905 174.990 0.213 0.000 1.236 561 C CA 1.226 60.355 59.018 0.185 0.000 1.735 561 C CB -1.069 26.745 27.740 0.124 0.000 2.031 561 C HN 0.599 nan 8.230 nan 0.000 0.474 562 L N 0.641 122.002 121.223 0.229 0.000 2.083 562 L HA -0.109 4.231 4.340 0.000 0.000 0.209 562 L C 3.028 180.121 176.870 0.371 0.000 1.083 562 L CA 1.561 56.582 54.840 0.301 0.000 0.752 562 L CB -0.835 41.428 42.059 0.340 0.000 0.899 562 L HN 0.387 nan 8.230 nan 0.000 0.433 563 R N 0.449 121.145 120.500 0.327 0.000 2.091 563 R HA -0.248 4.092 4.340 0.000 0.000 0.238 563 R C 2.306 178.691 176.300 0.142 0.000 1.136 563 R CA 1.982 58.149 56.100 0.112 0.000 0.959 563 R CB -0.705 29.627 30.300 0.054 0.000 0.856 563 R HN 0.376 nan 8.270 nan 0.000 0.437 564 F N 0.705 120.658 119.950 0.006 0.000 2.163 564 F HA -0.132 4.395 4.527 0.000 0.000 0.297 564 F C 2.332 178.116 175.800 -0.027 0.000 1.094 564 F CA 1.140 59.112 58.000 -0.047 0.000 1.290 564 F CB -0.029 38.939 39.000 -0.052 0.000 1.017 564 F HN -0.043 nan 8.300 nan 0.000 0.483 565 M N 0.124 119.648 119.600 -0.127 0.000 2.108 565 M HA -0.234 4.246 4.480 0.000 0.000 0.261 565 M C 2.333 178.572 176.300 -0.102 0.000 1.066 565 M CA 1.858 57.044 55.300 -0.191 0.000 1.107 565 M CB -0.560 32.013 32.600 -0.046 0.000 1.356 565 M HN 0.126 nan 8.290 nan 0.000 0.406 566 R N 0.573 121.078 120.500 0.008 0.000 2.091 566 R HA -0.227 4.114 4.340 0.000 0.000 0.238 566 R C 1.981 178.267 176.300 -0.024 0.000 1.136 566 R CA 2.063 58.175 56.100 0.020 0.000 0.959 566 R CB -0.149 30.170 30.300 0.030 0.000 0.856 566 R HN 0.270 nan 8.270 nan 0.000 0.437 567 E N -0.284 119.897 120.200 -0.033 0.000 2.077 567 E HA -0.137 4.213 4.350 0.000 0.000 0.193 567 E C 1.830 178.393 176.600 -0.062 0.000 0.989 567 E CA 1.595 57.989 56.400 -0.011 0.000 0.800 567 E CB -0.014 29.712 29.700 0.043 0.000 0.746 567 E HN 0.210 nan 8.360 nan 0.000 0.452 568 V N 0.983 120.786 119.914 -0.184 0.000 2.295 568 V HA -0.254 3.867 4.120 0.000 0.000 0.246 568 V C 2.432 178.463 176.094 -0.106 0.000 1.049 568 V CA 2.205 64.390 62.300 -0.192 0.000 1.024 568 V CB -0.673 30.941 31.823 -0.349 0.000 0.648 568 V HN 0.440 nan 8.190 nan 0.000 0.447 569 E N 0.016 120.161 120.200 -0.091 0.000 2.097 569 E HA -0.330 4.021 4.350 0.000 0.000 0.196 569 E C 2.211 178.799 176.600 -0.020 0.000 1.000 569 E CA 1.983 58.357 56.400 -0.043 0.000 0.804 569 E CB -0.162 29.526 29.700 -0.020 0.000 0.740 569 E HN 0.695 nan 8.360 nan 0.000 0.454 570 Q N -0.160 119.632 119.800 -0.013 0.000 2.167 570 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 570 Q C 2.348 178.349 176.000 0.003 0.000 0.970 570 Q CA 1.221 57.026 55.803 0.003 0.000 0.855 570 Q CB 0.082 28.827 28.738 0.012 0.000 0.911 570 Q HN 0.407 nan 8.270 nan 0.000 0.438 571 L N -0.829 120.393 121.223 -0.002 0.000 2.249 571 L HA -0.002 4.338 4.340 0.000 0.000 0.207 571 L C 2.003 178.868 176.870 -0.008 0.000 1.090 571 L CA 0.392 55.234 54.840 0.003 0.000 0.802 571 L CB -0.037 42.030 42.059 0.013 0.000 0.947 571 L HN 0.299 nan 8.230 nan 0.000 0.453 572 M N -1.062 118.525 119.600 -0.021 0.000 2.567 572 M HA 0.103 4.583 4.480 0.000 0.000 0.261 572 M C 0.876 177.166 176.300 -0.017 0.000 1.180 572 M CA 0.730 56.015 55.300 -0.024 0.000 1.143 572 M CB -0.339 32.236 32.600 -0.042 0.000 1.319 572 M HN 0.168 nan 8.290 nan 0.000 0.490 573 T N -1.811 112.737 114.554 -0.012 0.000 3.390 573 T HA 0.402 4.752 4.350 0.000 0.000 0.351 573 T C -2.377 172.327 174.700 0.006 0.000 1.759 573 T CA -1.417 60.684 62.100 0.000 0.000 1.561 573 T CB 1.053 69.924 68.868 0.005 0.000 1.011 573 T HN -0.075 nan 8.240 nan 0.000 0.689 574 P HA -0.055 nan 4.420 nan 0.000 0.217 574 P C 1.620 178.929 177.300 0.014 0.000 1.150 574 P CA 0.825 63.930 63.100 0.010 0.000 0.832 574 P CB 0.127 31.832 31.700 0.008 0.000 0.787 575 Q N -0.432 119.377 119.800 0.016 0.000 2.515 575 Q HA -0.038 4.303 4.340 0.000 0.000 0.212 575 Q C 0.528 176.543 176.000 0.025 0.000 0.970 575 Q CA 0.473 56.288 55.803 0.020 0.000 0.941 575 Q CB -0.447 28.304 28.738 0.021 0.000 0.998 575 Q HN 0.146 nan 8.270 nan 0.000 0.518 576 K N 3.076 123.491 120.400 0.025 0.000 2.419 576 K HA -0.058 4.262 4.320 0.000 0.000 0.282 576 K C 0.217 176.835 176.600 0.029 0.000 1.056 576 K CA 0.090 56.395 56.287 0.030 0.000 1.035 576 K CB 0.178 32.695 32.500 0.029 0.000 0.921 576 K HN 0.107 nan 8.250 nan 0.000 0.472 577 Q N 4.426 124.245 119.800 0.031 0.000 2.394 577 Q HA 0.243 4.583 4.340 0.000 0.000 0.248 577 Q C -1.644 174.375 176.000 0.032 0.000 0.992 577 Q CA -1.565 54.255 55.803 0.029 0.000 0.888 577 Q CB -0.280 28.475 28.738 0.029 0.000 1.257 577 Q HN 0.374 nan 8.270 nan 0.000 0.462 578 P HA 0.000 nan 4.420 nan 0.000 0.216 578 P CA 0.000 63.120 63.100 0.034 0.000 0.800 578 P CB 0.000 31.718 31.700 0.030 0.000 0.726