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 2rab_1_B DATA FIRST_RESID 2 DATA SEQUENCE TQHFDLIAIG GGSGGLAVAE KAAAFGKRVA LIESKALGGT cVNVGcVPKK DATA SEQUENCE VMWYASHLAE AVRDAPGFGV QASXXTLDWP RLVAGRDRYI GAINSFWDGY DATA SEQUENCE VERLGITRVD GHARFVDAHT IEVEGQRLSA DHIVIATGGR PIVPRLPGAE DATA SEQUENCE LGITSDGFFA LQQQPKRVAI IGAGYIGIEL AGLLRSFGSE VTVVALEDRL DATA SEQUENCE LFQFDPLLSA TLAENMHAQG IETHLEFAVA ALERDAQGTT LVAQDGTRLX DATA SEQUENCE GFDSVIWAVG RAPNTRDLGL EAAGIEVQSN GMVPTDAYQN TNVPGVYALG DATA SEQUENCE DITGRDQLTP VAIAAGRRLA ERLFDGQSER KLDYDNIPTV VFAHPPLSKV DATA SEQUENCE GLSEPEARER LGDVLTVYET SFTPMRYALN EHGPKTAMKL VCAGPEQRVV DATA SEQUENCE GVHVIGDGAD EMLQGFAVAV KMGATKADFD NTVAIHPGSA EELVTLKEPV DATA SEQUENCE RRPGD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.878 174.700 0.297 0.000 1.109 2 T CA 0.000 62.282 62.100 0.303 0.000 1.349 2 T CB 0.000 68.935 68.868 0.112 0.000 0.612 3 Q N -0.038 119.949 119.800 0.312 0.000 1.580 3 Q HA 0.196 4.536 4.340 0.000 0.000 0.161 3 Q C 0.797 176.922 176.000 0.207 0.000 0.694 3 Q CA 0.576 56.515 55.803 0.227 0.000 0.719 3 Q CB -0.635 28.177 28.738 0.123 0.000 1.184 3 Q HN 0.743 nan 8.270 nan 0.000 0.367 4 H N -1.072 117.941 119.070 -0.095 0.000 2.517 4 H HA 0.462 5.019 4.556 0.000 0.000 0.282 4 H C -0.374 174.843 175.328 -0.185 0.000 1.023 4 H CA -1.286 54.670 56.048 -0.152 0.000 1.169 4 H CB -0.676 28.960 29.762 -0.210 0.000 1.454 4 H HN 0.330 nan 8.280 nan 0.000 0.556 5 F N 2.063 121.915 119.950 -0.162 0.000 2.443 5 F HA 0.125 4.652 4.527 0.000 0.000 0.353 5 F C 1.413 177.191 175.800 -0.037 0.000 1.101 5 F CA -0.168 57.724 58.000 -0.179 0.000 1.226 5 F CB 1.041 39.980 39.000 -0.102 0.000 1.140 5 F HN 0.054 nan 8.300 nan 0.000 0.557 6 D N 1.401 121.893 120.400 0.153 0.000 2.162 6 D HA -0.011 4.629 4.640 0.000 0.000 0.203 6 D C 0.129 176.632 176.300 0.339 0.000 0.967 6 D CA 1.207 55.336 54.000 0.214 0.000 0.840 6 D CB 0.357 41.170 40.800 0.022 0.000 0.972 6 D HN 0.187 nan 8.370 nan 0.000 0.482 7 L N 0.556 121.898 121.223 0.199 0.000 2.464 7 L HA 0.418 4.758 4.340 0.000 0.000 0.266 7 L C -1.616 175.283 176.870 0.049 0.000 0.965 7 L CA -0.517 54.443 54.840 0.199 0.000 0.833 7 L CB 2.345 44.472 42.059 0.113 0.000 1.296 7 L HN -0.235 nan 8.230 nan 0.000 0.405 8 I N 4.747 125.346 120.570 0.048 0.000 2.355 8 I HA 0.651 4.821 4.170 0.000 0.000 0.288 8 I C -0.120 175.984 176.117 -0.023 0.000 0.999 8 I CA -0.608 60.637 61.300 -0.092 0.000 1.163 8 I CB 1.882 39.800 38.000 -0.137 0.000 1.316 8 I HN 0.805 nan 8.210 nan 0.000 0.454 9 A N 8.101 130.884 122.820 -0.062 0.000 2.249 9 A HA 0.677 4.997 4.320 0.000 0.000 0.314 9 A C -0.339 177.199 177.584 -0.076 0.000 1.290 9 A CA -0.447 51.571 52.037 -0.031 0.000 0.893 9 A CB 0.201 19.184 19.000 -0.028 0.000 1.165 9 A HN 0.699 nan 8.150 nan 0.000 0.530 10 I N 2.693 123.226 120.570 -0.062 0.000 2.301 10 I HA 0.509 4.679 4.170 0.000 0.000 0.292 10 I C 0.875 176.949 176.117 -0.071 0.000 1.046 10 I CA 0.398 61.637 61.300 -0.101 0.000 1.282 10 I CB 0.713 38.639 38.000 -0.123 0.000 1.409 10 I HN 0.953 nan 8.210 nan 0.000 0.484 11 G N 3.784 112.532 108.800 -0.087 0.000 3.355 11 G HA2 -0.017 3.943 3.960 0.000 0.000 0.686 11 G HA3 -0.017 3.943 3.960 0.000 0.000 0.686 11 G C 0.025 174.874 174.900 -0.085 0.000 1.097 11 G CA -0.522 44.534 45.100 -0.073 0.000 0.881 11 G HN 0.991 nan 8.290 nan 0.000 0.550 12 G N 0.835 109.577 108.800 -0.097 0.000 3.949 12 G HA2 0.661 4.621 3.960 0.000 0.000 0.295 12 G HA3 0.661 4.621 3.960 0.000 0.000 0.295 12 G C 0.888 175.677 174.900 -0.185 0.000 1.286 12 G CA 0.912 45.931 45.100 -0.135 0.000 1.171 12 G HN 1.261 nan 8.290 nan 0.000 0.586 13 G N 0.073 108.780 108.800 -0.155 0.000 2.695 13 G HA2 0.372 4.332 3.960 0.000 0.000 0.213 13 G HA3 0.372 4.332 3.960 0.000 0.000 0.213 13 G C 1.248 176.025 174.900 -0.206 0.000 1.406 13 G CA 0.421 45.419 45.100 -0.171 0.000 1.049 13 G HN 0.166 nan 8.290 nan 0.000 0.573 14 S N -0.165 115.448 115.700 -0.146 0.000 2.353 14 S HA -0.121 4.349 4.470 0.000 0.000 0.222 14 S C 2.453 177.003 174.600 -0.084 0.000 1.035 14 S CA 1.727 59.854 58.200 -0.121 0.000 1.025 14 S CB -0.749 62.418 63.200 -0.054 0.000 0.902 14 S HN 0.759 nan 8.310 nan 0.000 0.440 15 G N 1.037 109.810 108.800 -0.046 0.000 2.404 15 G HA2 0.035 3.995 3.960 0.000 0.000 0.215 15 G HA3 0.035 3.995 3.960 0.000 0.000 0.215 15 G C 1.461 176.349 174.900 -0.020 0.000 1.174 15 G CA 0.845 45.938 45.100 -0.011 0.000 0.780 15 G HN 0.561 nan 8.290 nan 0.000 0.537 16 G N 0.920 109.693 108.800 -0.045 0.000 2.446 16 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 16 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 16 G C 1.710 176.567 174.900 -0.071 0.000 1.168 16 G CA 0.922 45.992 45.100 -0.051 0.000 0.771 16 G HN 0.284 nan 8.290 nan 0.000 0.551 17 L N 1.456 122.593 121.223 -0.144 0.000 2.042 17 L HA 0.001 4.341 4.340 0.000 0.000 0.210 17 L C 3.294 180.145 176.870 -0.033 0.000 1.076 17 L CA 1.718 56.452 54.840 -0.177 0.000 0.749 17 L CB -1.166 40.574 42.059 -0.531 0.000 0.893 17 L HN 0.312 nan 8.230 nan 0.000 0.432 18 A N -1.476 121.335 122.820 -0.015 0.000 1.902 18 A HA -0.179 4.141 4.320 0.000 0.000 0.217 18 A C 2.523 180.151 177.584 0.073 0.000 1.181 18 A CA 1.988 54.064 52.037 0.065 0.000 0.623 18 A CB -1.039 17.994 19.000 0.054 0.000 0.818 18 A HN 0.250 nan 8.150 nan 0.000 0.443 19 V N -0.466 119.479 119.914 0.053 0.000 2.379 19 V HA -0.039 4.081 4.120 0.000 0.000 0.245 19 V C 2.785 178.921 176.094 0.071 0.000 1.044 19 V CA 1.993 64.339 62.300 0.077 0.000 1.036 19 V CB -0.659 31.204 31.823 0.067 0.000 0.664 19 V HN 0.600 nan 8.190 nan 0.000 0.453 20 A N -0.192 122.643 122.820 0.026 0.000 1.865 20 A HA -0.318 4.002 4.320 0.000 0.000 0.217 20 A C 2.211 179.782 177.584 -0.022 0.000 1.191 20 A CA 2.333 54.363 52.037 -0.012 0.000 0.623 20 A CB -0.820 18.157 19.000 -0.038 0.000 0.826 20 A HN 0.748 nan 8.150 nan 0.000 0.444 21 E N -0.525 119.685 120.200 0.016 0.000 2.038 21 E HA -0.263 4.087 4.350 0.000 0.000 0.195 21 E C 2.047 178.634 176.600 -0.022 0.000 1.000 21 E CA 1.543 57.951 56.400 0.014 0.000 0.803 21 E CB -0.135 29.673 29.700 0.181 0.000 0.750 21 E HN 0.372 nan 8.360 nan 0.000 0.448 22 K N 0.094 120.508 120.400 0.024 0.000 2.057 22 K HA -0.098 4.222 4.320 0.000 0.000 0.207 22 K C 2.117 178.722 176.600 0.009 0.000 1.049 22 K CA 1.032 57.307 56.287 -0.020 0.000 0.931 22 K CB -0.413 32.159 32.500 0.120 0.000 0.714 22 K HN 0.250 nan 8.250 nan 0.000 0.440 23 A N 1.323 124.208 122.820 0.109 0.000 1.883 23 A HA -0.165 4.155 4.320 0.000 0.000 0.217 23 A C 2.372 179.891 177.584 -0.109 0.000 1.186 23 A CA 2.311 54.354 52.037 0.010 0.000 0.624 23 A CB -0.657 18.217 19.000 -0.211 0.000 0.822 23 A HN 0.343 nan 8.150 nan 0.000 0.444 24 A N -0.443 122.303 122.820 -0.123 0.000 1.972 24 A HA 0.194 4.514 4.320 0.000 0.000 0.219 24 A C 2.401 179.903 177.584 -0.136 0.000 1.169 24 A CA 1.924 53.881 52.037 -0.133 0.000 0.635 24 A CB -0.811 18.104 19.000 -0.142 0.000 0.810 24 A HN 1.090 nan 8.150 nan 0.000 0.446 25 A N -1.454 121.250 122.820 -0.194 0.000 2.066 25 A HA 0.160 4.480 4.320 0.000 0.000 0.218 25 A C 1.484 178.889 177.584 -0.298 0.000 1.157 25 A CA 0.666 52.541 52.037 -0.271 0.000 0.670 25 A CB -0.609 18.174 19.000 -0.362 0.000 0.804 25 A HN 0.495 nan 8.150 nan 0.000 0.453 26 F N -0.092 119.841 119.950 -0.029 0.000 2.693 26 F HA 0.328 4.855 4.527 0.000 0.000 0.303 26 F C 1.694 177.465 175.800 -0.048 0.000 1.143 26 F CA 0.538 58.529 58.000 -0.015 0.000 1.389 26 F CB 0.018 39.038 39.000 0.032 0.000 1.060 26 F HN 0.336 nan 8.300 nan 0.000 0.535 27 G N 0.595 109.419 108.800 0.042 0.000 2.176 27 G HA2 -0.261 3.699 3.960 0.000 0.000 0.252 27 G HA3 -0.261 3.699 3.960 0.000 0.000 0.252 27 G C 0.204 175.079 174.900 -0.041 0.000 1.024 27 G CA -0.292 44.807 45.100 -0.002 0.000 0.755 27 G HN 0.116 nan 8.290 nan 0.000 0.507 28 K N -0.365 119.971 120.400 -0.107 0.000 2.087 28 K HA 0.457 4.777 4.320 0.000 0.000 0.255 28 K C 0.621 177.126 176.600 -0.158 0.000 0.988 28 K CA -1.016 55.149 56.287 -0.203 0.000 0.915 28 K CB 1.042 33.229 32.500 -0.523 0.000 1.043 28 K HN 0.329 nan 8.250 nan 0.000 0.457 29 R N 1.223 121.643 120.500 -0.133 0.000 2.216 29 R HA 0.262 4.602 4.340 0.000 0.000 0.332 29 R C -0.935 175.403 176.300 0.063 0.000 1.056 29 R CA -0.264 55.792 56.100 -0.073 0.000 0.901 29 R CB 0.356 30.531 30.300 -0.208 0.000 1.039 29 R HN 0.220 nan 8.270 nan 0.000 0.456 30 V N 3.666 123.635 119.914 0.092 0.000 2.540 30 V HA 0.605 4.725 4.120 0.000 0.000 0.302 30 V C -0.349 175.727 176.094 -0.029 0.000 1.035 30 V CA -0.888 61.425 62.300 0.022 0.000 0.873 30 V CB 1.708 33.487 31.823 -0.074 0.000 0.992 30 V HN 0.910 nan 8.190 nan 0.000 0.428 31 A N 4.705 127.326 122.820 -0.331 0.000 2.317 31 A HA 0.903 5.224 4.320 0.000 0.000 0.327 31 A C -1.168 176.238 177.584 -0.295 0.000 1.178 31 A CA -0.510 51.209 52.037 -0.529 0.000 0.817 31 A CB 1.274 19.541 19.000 -1.220 0.000 1.189 31 A HN 0.824 nan 8.150 nan 0.000 0.489 32 L N 4.126 125.223 121.223 -0.211 0.000 2.349 32 L HA 0.578 4.918 4.340 0.000 0.000 0.278 32 L C -1.168 175.618 176.870 -0.140 0.000 0.996 32 L CA -0.460 54.291 54.840 -0.148 0.000 0.825 32 L CB 1.303 43.298 42.059 -0.105 0.000 1.243 32 L HN 0.541 nan 8.230 nan 0.000 0.412 33 I N 3.784 124.270 120.570 -0.141 0.000 2.359 33 I HA 0.576 4.746 4.170 0.000 0.000 0.294 33 I C -0.200 175.856 176.117 -0.103 0.000 0.987 33 I CA -0.543 60.679 61.300 -0.129 0.000 1.225 33 I CB 1.173 39.077 38.000 -0.160 0.000 1.366 33 I HN 0.635 nan 8.210 nan 0.000 0.466 34 E N 3.175 123.328 120.200 -0.078 0.000 2.291 34 E HA 0.340 4.690 4.350 0.000 0.000 0.276 34 E C 0.092 176.675 176.600 -0.029 0.000 0.896 34 E CA -0.455 55.911 56.400 -0.057 0.000 0.774 34 E CB 1.683 31.352 29.700 -0.053 0.000 1.227 34 E HN 0.526 nan 8.360 nan 0.000 0.413 35 S N 2.983 118.677 115.700 -0.010 0.000 2.478 35 S HA 0.192 4.663 4.470 0.000 0.000 0.222 35 S C 0.869 175.485 174.600 0.027 0.000 1.008 35 S CA 0.385 58.601 58.200 0.028 0.000 0.928 35 S CB 0.349 63.600 63.200 0.085 0.000 0.781 35 S HN 0.310 nan 8.310 nan 0.000 0.518 36 K N 1.387 121.797 120.400 0.016 0.000 4.563 36 K HA 0.790 5.110 4.320 0.000 0.000 0.275 36 K C -0.335 176.271 176.600 0.011 0.000 1.045 36 K CA 0.214 56.512 56.287 0.019 0.000 1.901 36 K CB -0.082 32.433 32.500 0.025 0.000 3.095 36 K HN 0.217 nan 8.250 nan 0.000 0.770 37 A N 0.980 123.804 122.820 0.007 0.000 2.350 37 A HA 0.589 4.909 4.320 0.000 0.000 0.324 37 A C -0.683 176.890 177.584 -0.018 0.000 1.118 37 A CA -0.678 51.362 52.037 0.006 0.000 0.783 37 A CB 0.251 19.263 19.000 0.019 0.000 1.236 37 A HN 0.389 nan 8.150 nan 0.000 0.457 38 L N 1.268 122.481 121.223 -0.016 0.000 2.483 38 L HA 0.357 4.697 4.340 0.000 0.000 0.275 38 L C 1.615 178.419 176.870 -0.111 0.000 1.220 38 L CA 1.431 56.230 54.840 -0.069 0.000 0.833 38 L CB 0.296 42.349 42.059 -0.011 0.000 1.102 38 L HN 1.285 nan 8.230 nan 0.000 0.490 39 G N 0.711 109.332 108.800 -0.299 0.000 2.258 39 G HA2 -0.116 3.844 3.960 0.000 0.000 0.233 39 G HA3 -0.116 3.844 3.960 0.000 0.000 0.233 39 G C 0.709 175.497 174.900 -0.187 0.000 1.006 39 G CA -0.017 44.891 45.100 -0.321 0.000 0.620 39 G HN 1.492 nan 8.290 nan 0.000 0.511 40 G N -0.857 107.868 108.800 -0.126 0.000 2.547 40 G HA2 -0.131 3.830 3.960 0.000 0.000 0.271 40 G HA3 -0.131 3.830 3.960 0.000 0.000 0.271 40 G C 1.022 175.893 174.900 -0.048 0.000 1.209 40 G CA 1.548 46.600 45.100 -0.079 0.000 0.959 40 G HN 1.340 nan 8.290 nan 0.000 0.563 41 T N -0.354 114.179 114.554 -0.035 0.000 2.708 41 T HA -0.163 4.188 4.350 0.000 0.000 0.266 41 T C 2.450 177.124 174.700 -0.043 0.000 1.037 41 T CA 2.548 64.635 62.100 -0.021 0.000 1.146 41 T CB -0.652 68.215 68.868 -0.002 0.000 0.865 41 T HN 0.916 nan 8.240 nan 0.000 0.435 42 c N 1.078 119.652 118.600 -0.042 0.000 2.413 42 c HA -0.064 4.506 4.570 0.000 0.000 0.277 42 c C 2.763 176.825 174.090 -0.046 0.000 1.228 42 c CA 0.795 57.101 56.329 -0.038 0.000 1.731 42 c CB -1.179 41.319 42.510 -0.020 0.000 2.042 42 c HN 0.383 nan 8.230 nan 0.000 0.468 43 V N 1.817 121.714 119.914 -0.029 0.000 2.427 43 V HA -0.145 3.976 4.120 0.000 0.000 0.248 43 V C 2.245 178.321 176.094 -0.030 0.000 1.051 43 V CA 2.292 64.591 62.300 -0.000 0.000 1.048 43 V CB -0.677 31.171 31.823 0.041 0.000 0.666 43 V HN 0.597 nan 8.190 nan 0.000 0.456 44 N N 0.136 118.806 118.700 -0.050 0.000 2.436 44 N HA 0.012 4.752 4.740 0.000 0.000 0.178 44 N C 1.179 176.617 175.510 -0.120 0.000 1.026 44 N CA 1.715 54.737 53.050 -0.047 0.000 0.880 44 N CB 0.969 39.450 38.487 -0.009 0.000 1.061 44 N HN 0.543 nan 8.380 nan 0.000 0.434 45 V N -3.624 116.189 119.914 -0.168 0.000 3.265 45 V HA 0.616 4.737 4.120 0.000 0.000 0.346 45 V C 0.512 176.396 176.094 -0.349 0.000 1.447 45 V CA -0.179 61.965 62.300 -0.261 0.000 1.179 45 V CB 0.532 32.384 31.823 0.047 0.000 1.103 45 V HN 0.128 nan 8.190 nan 0.000 0.530 46 G N 0.065 108.671 108.800 -0.323 0.000 3.377 46 G HA2 0.236 4.196 3.960 0.000 0.000 0.182 46 G HA3 0.236 4.196 3.960 0.000 0.000 0.182 46 G C 1.032 175.840 174.900 -0.152 0.000 1.166 46 G CA 0.638 45.643 45.100 -0.158 0.000 0.771 46 G HN 0.276 nan 8.290 nan 0.000 0.701 47 c N 0.035 118.601 118.600 -0.056 0.000 2.363 47 c HA -0.082 4.488 4.570 0.000 0.000 0.274 47 c C 2.861 176.907 174.090 -0.072 0.000 1.183 47 c CA 1.008 57.316 56.329 -0.035 0.000 1.771 47 c CB -1.506 41.005 42.510 0.001 0.000 2.059 47 c HN 0.233 nan 8.230 nan 0.000 0.455 48 V N 2.752 122.633 119.914 -0.055 0.000 2.255 48 V HA -0.105 4.015 4.120 0.000 0.000 0.243 48 V C 0.302 176.397 176.094 0.001 0.000 1.038 48 V CA 2.532 64.837 62.300 0.009 0.000 1.008 48 V CB -1.905 29.966 31.823 0.080 0.000 0.645 48 V HN 0.349 nan 8.190 nan 0.000 0.449 49 P HA -0.238 nan 4.420 nan 0.000 0.216 49 P C 1.607 178.989 177.300 0.137 0.000 1.153 49 P CA 1.761 64.816 63.100 -0.074 0.000 0.858 49 P CB -0.072 31.348 31.700 -0.466 0.000 0.789 50 K N 0.455 120.919 120.400 0.107 0.000 2.026 50 K HA -0.204 4.116 4.320 0.000 0.000 0.208 50 K C 2.273 178.963 176.600 0.149 0.000 1.048 50 K CA 1.790 58.273 56.287 0.328 0.000 0.929 50 K CB -0.254 32.414 32.500 0.281 0.000 0.713 50 K HN -0.180 nan 8.250 nan 0.000 0.439 51 K N 0.656 121.020 120.400 -0.059 0.000 2.097 51 K HA -0.070 4.250 4.320 0.000 0.000 0.206 51 K C 1.849 178.504 176.600 0.091 0.000 1.049 51 K CA 1.152 57.322 56.287 -0.196 0.000 0.933 51 K CB -0.229 32.052 32.500 -0.366 0.000 0.717 51 K HN 0.038 nan 8.250 nan 0.000 0.442 52 V N 0.881 120.874 119.914 0.132 0.000 2.295 52 V HA -0.279 3.841 4.120 0.000 0.000 0.246 52 V C 2.273 178.496 176.094 0.214 0.000 1.049 52 V CA 2.148 64.543 62.300 0.158 0.000 1.024 52 V CB -0.402 31.443 31.823 0.037 0.000 0.648 52 V HN 0.381 nan 8.190 nan 0.000 0.447 53 M N -1.876 117.867 119.600 0.239 0.000 2.229 53 M HA -0.205 4.275 4.480 0.000 0.000 0.264 53 M C 2.055 178.565 176.300 0.350 0.000 1.063 53 M CA 2.033 57.520 55.300 0.312 0.000 1.114 53 M CB -0.493 32.339 32.600 0.386 0.000 1.387 53 M HN 0.554 nan 8.290 nan 0.000 0.420 54 W N 0.410 121.745 121.300 0.057 0.000 2.358 54 W HA -0.220 4.440 4.660 0.000 0.000 0.303 54 W C 1.777 178.259 176.519 -0.062 0.000 1.208 54 W CA 1.606 58.909 57.345 -0.070 0.000 1.274 54 W CB -0.515 28.791 29.460 -0.256 0.000 1.138 54 W HN 0.130 nan 8.180 nan 0.000 0.515 55 Y N 0.004 120.412 120.300 0.181 0.000 2.224 55 Y HA -0.222 4.328 4.550 0.000 0.000 0.289 55 Y C 2.619 178.529 175.900 0.017 0.000 1.146 55 Y CA 1.679 59.795 58.100 0.028 0.000 1.182 55 Y CB -1.033 37.470 38.460 0.071 0.000 0.983 55 Y HN 0.023 nan 8.280 nan 0.000 0.524 56 A N -0.094 122.872 122.820 0.244 0.000 1.902 56 A HA -0.242 4.078 4.320 0.000 0.000 0.217 56 A C 2.384 180.149 177.584 0.301 0.000 1.181 56 A CA 2.142 54.331 52.037 0.254 0.000 0.623 56 A CB -1.088 18.069 19.000 0.261 0.000 0.818 56 A HN 0.502 nan 8.150 nan 0.000 0.443 57 S N -1.030 114.771 115.700 0.168 0.000 2.406 57 S HA -0.204 4.266 4.470 0.000 0.000 0.228 57 S C 1.843 176.318 174.600 -0.209 0.000 1.020 57 S CA 1.403 59.516 58.200 -0.145 0.000 0.965 57 S CB -0.759 62.117 63.200 -0.539 0.000 0.798 57 S HN 0.784 nan 8.310 nan 0.000 0.488 58 H N 1.455 120.262 119.070 -0.438 0.000 2.321 58 H HA 0.075 4.631 4.556 0.000 0.000 0.300 58 H C 1.766 176.996 175.328 -0.164 0.000 1.087 58 H CA 1.706 57.493 56.048 -0.435 0.000 1.319 58 H CB -0.447 28.915 29.762 -0.666 0.000 1.379 58 H HN 0.250 nan 8.280 nan 0.000 0.501 59 L N 0.531 121.724 121.223 -0.049 0.000 2.083 59 L HA -0.020 4.320 4.340 0.000 0.000 0.209 59 L C 2.721 179.562 176.870 -0.048 0.000 1.083 59 L CA 1.717 56.529 54.840 -0.047 0.000 0.752 59 L CB -1.445 40.645 42.059 0.052 0.000 0.899 59 L HN 0.515 nan 8.230 nan 0.000 0.433 60 A N -0.352 122.473 122.820 0.009 0.000 1.902 60 A HA -0.198 4.122 4.320 0.000 0.000 0.217 60 A C 2.392 179.963 177.584 -0.020 0.000 1.181 60 A CA 1.958 54.016 52.037 0.036 0.000 0.623 60 A CB -0.840 18.244 19.000 0.140 0.000 0.818 60 A HN 0.443 nan 8.150 nan 0.000 0.443 61 E N -0.330 119.821 120.200 -0.081 0.000 2.153 61 E HA 0.049 4.399 4.350 0.000 0.000 0.194 61 E C 2.227 178.781 176.600 -0.077 0.000 0.988 61 E CA 1.884 58.237 56.400 -0.078 0.000 0.811 61 E CB -1.075 28.562 29.700 -0.106 0.000 0.746 61 E HN 0.974 nan 8.360 nan 0.000 0.466 62 A N 0.809 123.532 122.820 -0.161 0.000 1.898 62 A HA 0.037 4.358 4.320 0.000 0.000 0.216 62 A C 2.823 180.368 177.584 -0.064 0.000 1.181 62 A CA 2.625 54.569 52.037 -0.156 0.000 0.620 62 A CB -0.829 18.031 19.000 -0.233 0.000 0.819 62 A HN 1.123 nan 8.150 nan 0.000 0.442 63 V N -1.962 117.928 119.914 -0.040 0.000 2.515 63 V HA -0.166 3.954 4.120 0.000 0.000 0.250 63 V C 2.152 178.256 176.094 0.016 0.000 1.058 63 V CA 1.996 64.293 62.300 -0.006 0.000 1.064 63 V CB -0.920 30.905 31.823 0.003 0.000 0.675 63 V HN 0.500 nan 8.190 nan 0.000 0.461 64 R N 0.374 120.885 120.500 0.018 0.000 2.096 64 R HA -0.103 4.237 4.340 0.000 0.000 0.235 64 R C 1.855 178.192 176.300 0.062 0.000 1.127 64 R CA 1.870 57.992 56.100 0.036 0.000 0.968 64 R CB -0.332 29.986 30.300 0.030 0.000 0.861 64 R HN 0.554 nan 8.270 nan 0.000 0.440 65 D N -0.330 120.117 120.400 0.078 0.000 2.350 65 D HA 0.071 4.711 4.640 0.000 0.000 0.213 65 D C 1.415 177.830 176.300 0.192 0.000 1.031 65 D CA 0.419 54.511 54.000 0.153 0.000 0.861 65 D CB 0.254 41.176 40.800 0.204 0.000 0.926 65 D HN 0.176 nan 8.370 nan 0.000 0.520 66 A N 1.761 124.645 122.820 0.107 0.000 1.902 66 A HA -0.090 4.231 4.320 0.000 0.000 0.217 66 A C -0.237 177.436 177.584 0.150 0.000 1.181 66 A CA 1.109 53.210 52.037 0.107 0.000 0.623 66 A CB -1.322 17.700 19.000 0.037 0.000 0.818 66 A HN 0.159 nan 8.150 nan 0.000 0.443 67 P HA -0.086 nan 4.420 nan 0.000 0.218 67 P C 1.711 179.062 177.300 0.085 0.000 1.149 67 P CA 1.609 64.757 63.100 0.081 0.000 0.817 67 P CB -0.367 31.365 31.700 0.054 0.000 0.785 68 G N -1.106 107.754 108.800 0.100 0.000 2.469 68 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 68 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 68 G C 0.896 175.748 174.900 -0.079 0.000 1.136 68 G CA 0.484 45.591 45.100 0.011 0.000 0.759 68 G HN 0.249 nan 8.290 nan 0.000 0.562 69 F N 0.623 120.578 119.950 0.008 0.000 2.732 69 F HA 0.358 4.885 4.527 0.000 0.000 0.303 69 F C 1.967 177.767 175.800 0.001 0.000 1.110 69 F CA 0.411 58.413 58.000 0.002 0.000 1.355 69 F CB 0.628 39.626 39.000 -0.004 0.000 1.081 69 F HN 0.271 nan 8.300 nan 0.000 0.565 70 G N 0.121 109.000 108.800 0.131 0.000 2.176 70 G HA2 -0.269 3.691 3.960 0.000 0.000 0.253 70 G HA3 -0.269 3.691 3.960 0.000 0.000 0.253 70 G C 0.060 175.006 174.900 0.077 0.000 0.979 70 G CA 0.089 45.237 45.100 0.080 0.000 0.641 70 G HN 0.106 nan 8.290 nan 0.000 0.530 71 V N 1.361 121.333 119.914 0.097 0.000 2.389 71 V HA 0.635 4.755 4.120 0.000 0.000 0.264 71 V C 0.943 177.065 176.094 0.047 0.000 1.049 71 V CA 0.791 63.127 62.300 0.060 0.000 0.932 71 V CB 0.778 32.628 31.823 0.045 0.000 1.011 71 V HN 0.874 nan 8.190 nan 0.000 0.475 72 Q N 3.893 123.712 119.800 0.032 0.000 2.452 72 Q HA 0.667 5.007 4.340 0.000 0.000 0.230 72 Q C 0.144 176.156 176.000 0.020 0.000 1.180 72 Q CA 0.196 56.015 55.803 0.026 0.000 0.914 72 Q CB 0.674 29.424 28.738 0.020 0.000 1.408 72 Q HN 1.157 nan 8.270 nan 0.000 0.520 73 A N 1.694 124.528 122.820 0.023 0.000 2.320 73 A HA 0.835 5.155 4.320 0.000 0.000 0.334 73 A C 0.751 178.346 177.584 0.018 0.000 1.147 73 A CA 0.008 52.056 52.037 0.017 0.000 0.820 73 A CB 0.995 20.005 19.000 0.015 0.000 1.218 73 A HN 1.334 nan 8.150 nan 0.000 0.482 78 L N 3.946 125.193 121.223 0.039 0.000 2.290 78 L HA 0.488 4.829 4.340 0.000 0.000 0.284 78 L C -0.277 176.590 176.870 -0.005 0.000 1.078 78 L CA -0.176 54.651 54.840 -0.022 0.000 0.815 78 L CB 1.114 43.109 42.059 -0.106 0.000 1.162 78 L HN 0.828 nan 8.230 nan 0.000 0.435 79 D N 5.032 125.418 120.400 -0.023 0.000 2.479 79 D HA -0.037 4.603 4.640 0.000 0.000 0.218 79 D C 0.731 177.036 176.300 0.008 0.000 1.131 79 D CA -0.271 53.733 54.000 0.007 0.000 0.916 79 D CB 0.377 41.174 40.800 -0.006 0.000 1.022 79 D HN 0.585 nan 8.370 nan 0.000 0.515 80 W N 4.893 126.097 121.300 -0.161 0.000 2.358 80 W HA -0.081 4.579 4.660 0.000 0.000 0.303 80 W C -1.345 175.098 176.519 -0.127 0.000 1.208 80 W CA 0.687 57.916 57.345 -0.193 0.000 1.274 80 W CB -1.258 28.093 29.460 -0.181 0.000 1.138 80 W HN 0.391 nan 8.180 nan 0.000 0.515 81 P HA -0.218 nan 4.420 nan 0.000 0.216 81 P C 1.711 179.008 177.300 -0.005 0.000 1.153 81 P CA 2.742 65.906 63.100 0.106 0.000 0.858 81 P CB -0.371 31.385 31.700 0.093 0.000 0.789 82 R N -0.569 119.917 120.500 -0.024 0.000 2.081 82 R HA -0.131 4.209 4.340 0.000 0.000 0.235 82 R C 2.143 178.386 176.300 -0.095 0.000 1.131 82 R CA 1.129 57.201 56.100 -0.047 0.000 0.960 82 R CB -1.209 29.068 30.300 -0.038 0.000 0.856 82 R HN 0.030 nan 8.270 nan 0.000 0.436 83 L N 0.755 121.876 121.223 -0.170 0.000 1.989 83 L HA -0.164 4.177 4.340 0.000 0.000 0.211 83 L C 2.316 179.045 176.870 -0.235 0.000 1.071 83 L CA 2.156 56.851 54.840 -0.242 0.000 0.749 83 L CB -0.707 41.101 42.059 -0.418 0.000 0.890 83 L HN 0.254 nan 8.230 nan 0.000 0.431 84 V N -1.944 117.791 119.914 -0.298 0.000 2.343 84 V HA -0.178 3.942 4.120 0.000 0.000 0.247 84 V C 2.544 178.596 176.094 -0.070 0.000 1.051 84 V CA 1.658 63.837 62.300 -0.200 0.000 1.036 84 V CB -1.968 29.751 31.823 -0.173 0.000 0.654 84 V HN 0.492 nan 8.190 nan 0.000 0.451 85 A N 1.461 124.253 122.820 -0.046 0.000 1.865 85 A HA -0.035 4.286 4.320 0.000 0.000 0.217 85 A C 2.463 180.047 177.584 -0.000 0.000 1.191 85 A CA 2.516 54.548 52.037 -0.009 0.000 0.623 85 A CB -1.703 17.294 19.000 -0.004 0.000 0.826 85 A HN 0.787 nan 8.150 nan 0.000 0.444 86 G N -0.814 107.975 108.800 -0.018 0.000 2.421 86 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 86 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 86 G C 1.738 176.655 174.900 0.028 0.000 1.171 86 G CA 1.113 46.211 45.100 -0.002 0.000 0.775 86 G HN 0.582 nan 8.290 nan 0.000 0.543 87 R N 0.379 120.881 120.500 0.003 0.000 2.096 87 R HA -0.128 4.212 4.340 0.000 0.000 0.240 87 R C 1.990 178.352 176.300 0.103 0.000 1.139 87 R CA 1.998 58.127 56.100 0.047 0.000 0.952 87 R CB -0.373 29.933 30.300 0.010 0.000 0.854 87 R HN 0.215 nan 8.270 nan 0.000 0.436 88 D N -0.264 120.175 120.400 0.064 0.000 2.144 88 D HA -0.131 4.509 4.640 0.000 0.000 0.200 88 D C 1.954 178.298 176.300 0.074 0.000 0.978 88 D CA 0.821 54.861 54.000 0.067 0.000 0.833 88 D CB -0.210 40.620 40.800 0.049 0.000 0.961 88 D HN 0.262 nan 8.370 nan 0.000 0.470 89 R N -0.627 119.919 120.500 0.077 0.000 2.073 89 R HA -0.185 4.155 4.340 0.000 0.000 0.234 89 R C 2.276 178.635 176.300 0.099 0.000 1.134 89 R CA 1.034 57.178 56.100 0.073 0.000 0.952 89 R CB -0.323 30.016 30.300 0.066 0.000 0.850 89 R HN 0.194 nan 8.270 nan 0.000 0.433 90 Y N 0.982 121.284 120.300 0.003 0.000 2.114 90 Y HA -0.201 4.350 4.550 0.000 0.000 0.284 90 Y C 1.993 177.902 175.900 0.015 0.000 1.143 90 Y CA 1.865 59.967 58.100 0.002 0.000 1.135 90 Y CB -0.287 38.172 38.460 -0.002 0.000 0.980 90 Y HN 0.007 nan 8.280 nan 0.000 0.499 91 I N -0.091 120.547 120.570 0.113 0.000 2.151 91 I HA -0.346 3.824 4.170 0.000 0.000 0.243 91 I C 2.659 178.777 176.117 0.001 0.000 1.080 91 I CA 1.671 62.992 61.300 0.034 0.000 1.339 91 I CB -1.020 37.021 38.000 0.068 0.000 1.039 91 I HN 0.412 nan 8.210 nan 0.000 0.409 92 G N 0.238 109.051 108.800 0.021 0.000 2.442 92 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 92 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 92 G C 1.821 176.727 174.900 0.010 0.000 1.141 92 G CA 0.869 45.984 45.100 0.025 0.000 0.763 92 G HN 0.521 nan 8.290 nan 0.000 0.554 93 A N 0.511 123.307 122.820 -0.040 0.000 1.930 93 A HA 0.101 4.422 4.320 0.000 0.000 0.217 93 A C 2.383 179.936 177.584 -0.051 0.000 1.175 93 A CA 1.216 53.215 52.037 -0.064 0.000 0.627 93 A CB -0.279 18.642 19.000 -0.131 0.000 0.815 93 A HN 0.388 nan 8.150 nan 0.000 0.443 94 I N -0.021 120.496 120.570 -0.088 0.000 2.286 94 I HA -0.257 3.913 4.170 0.000 0.000 0.245 94 I C 2.155 178.427 176.117 0.258 0.000 1.104 94 I CA 1.476 62.793 61.300 0.029 0.000 1.397 94 I CB -0.547 37.450 38.000 -0.005 0.000 1.072 94 I HN 0.397 nan 8.210 nan 0.000 0.417 95 N N 0.227 119.041 118.700 0.191 0.000 2.061 95 N HA -0.189 4.552 4.740 0.000 0.000 0.193 95 N C 1.932 177.558 175.510 0.193 0.000 1.030 95 N CA 1.663 54.841 53.050 0.214 0.000 0.856 95 N CB -0.130 38.425 38.487 0.114 0.000 1.023 95 N HN 0.166 nan 8.380 nan 0.000 0.424 96 S N 0.313 116.086 115.700 0.121 0.000 2.368 96 S HA -0.132 4.339 4.470 0.000 0.000 0.225 96 S C 1.600 176.245 174.600 0.075 0.000 1.030 96 S CA 0.782 59.030 58.200 0.080 0.000 0.999 96 S CB -0.409 62.821 63.200 0.049 0.000 0.844 96 S HN 0.369 nan 8.310 nan 0.000 0.459 97 F N 0.876 120.788 119.950 -0.063 0.000 2.065 97 F HA -0.214 4.313 4.527 0.000 0.000 0.298 97 F C 1.894 177.627 175.800 -0.111 0.000 1.112 97 F CA 1.691 59.586 58.000 -0.175 0.000 1.212 97 F CB -0.475 38.303 39.000 -0.370 0.000 0.975 97 F HN 0.240 nan 8.300 nan 0.000 0.476 98 W N 1.099 122.326 121.300 -0.122 0.000 2.358 98 W HA -0.183 4.477 4.660 0.000 0.000 0.303 98 W C 2.396 178.833 176.519 -0.137 0.000 1.208 98 W CA 1.070 58.321 57.345 -0.157 0.000 1.274 98 W CB -0.580 28.909 29.460 0.049 0.000 1.138 98 W HN 0.013 nan 8.180 nan 0.000 0.515 99 D N -0.528 119.963 120.400 0.151 0.000 2.106 99 D HA -0.188 4.452 4.640 0.000 0.000 0.191 99 D C 2.319 178.614 176.300 -0.008 0.000 0.997 99 D CA 2.024 56.062 54.000 0.063 0.000 0.834 99 D CB -1.163 39.667 40.800 0.051 0.000 0.956 99 D HN 0.247 nan 8.370 nan 0.000 0.448 100 G N -0.764 107.997 108.800 -0.066 0.000 2.402 100 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 100 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 100 G C 1.641 176.470 174.900 -0.118 0.000 1.162 100 G CA 0.539 45.585 45.100 -0.091 0.000 0.777 100 G HN 0.353 nan 8.290 nan 0.000 0.539 101 Y N 0.746 120.770 120.300 -0.459 0.000 2.151 101 Y HA -0.204 4.346 4.550 0.000 0.000 0.284 101 Y C 2.902 178.683 175.900 -0.199 0.000 1.166 101 Y CA 1.251 59.061 58.100 -0.483 0.000 1.163 101 Y CB 0.026 37.903 38.460 -0.971 0.000 0.974 101 Y HN 0.065 nan 8.280 nan 0.000 0.511 102 V N 0.422 120.258 119.914 -0.129 0.000 2.343 102 V HA -0.292 3.829 4.120 0.000 0.000 0.247 102 V C 2.106 178.117 176.094 -0.139 0.000 1.051 102 V CA 2.230 64.448 62.300 -0.137 0.000 1.036 102 V CB -0.508 31.307 31.823 -0.014 0.000 0.654 102 V HN 0.437 nan 8.190 nan 0.000 0.451 103 E N -0.261 119.883 120.200 -0.094 0.000 2.106 103 E HA -0.243 4.107 4.350 0.000 0.000 0.192 103 E C 2.459 179.005 176.600 -0.089 0.000 0.984 103 E CA 1.109 57.466 56.400 -0.072 0.000 0.806 103 E CB -0.137 29.536 29.700 -0.045 0.000 0.750 103 E HN 0.456 nan 8.360 nan 0.000 0.458 104 R N 0.818 121.250 120.500 -0.113 0.000 2.096 104 R HA -0.106 4.234 4.340 0.000 0.000 0.235 104 R C 2.119 178.331 176.300 -0.146 0.000 1.127 104 R CA 0.881 56.920 56.100 -0.102 0.000 0.968 104 R CB -0.106 30.157 30.300 -0.061 0.000 0.861 104 R HN 0.176 nan 8.270 nan 0.000 0.440 105 L N -0.379 120.695 121.223 -0.248 0.000 2.478 105 L HA 0.118 4.458 4.340 0.000 0.000 0.223 105 L C 1.260 178.039 176.870 -0.153 0.000 1.140 105 L CA 0.788 55.475 54.840 -0.254 0.000 0.842 105 L CB 0.064 41.886 42.059 -0.395 0.000 0.953 105 L HN 0.673 nan 8.230 nan 0.000 0.452 106 G N 0.612 109.343 108.800 -0.115 0.000 2.141 106 G HA2 -0.271 3.689 3.960 0.000 0.000 0.242 106 G HA3 -0.271 3.689 3.960 0.000 0.000 0.242 106 G C 0.234 175.104 174.900 -0.050 0.000 0.982 106 G CA -0.283 44.776 45.100 -0.068 0.000 0.662 106 G HN 0.259 nan 8.290 nan 0.000 0.527 107 I N 2.010 122.536 120.570 -0.073 0.000 2.556 107 I HA 0.188 4.358 4.170 0.000 0.000 0.284 107 I C 0.906 177.010 176.117 -0.021 0.000 1.114 107 I CA 0.268 61.536 61.300 -0.052 0.000 1.418 107 I CB 0.864 38.813 38.000 -0.085 0.000 1.394 107 I HN 0.045 nan 8.210 nan 0.000 0.552 108 T N 6.979 121.545 114.554 0.019 0.000 2.738 108 T HA 0.156 4.506 4.350 0.000 0.000 0.294 108 T C 0.266 174.938 174.700 -0.047 0.000 0.914 108 T CA -0.346 61.775 62.100 0.034 0.000 1.052 108 T CB -0.068 68.899 68.868 0.165 0.000 0.897 108 T HN 0.457 nan 8.240 nan 0.000 0.522 109 R N 2.893 123.373 120.500 -0.034 0.000 2.357 109 R HA 0.485 4.825 4.340 0.000 0.000 0.296 109 R C -1.193 175.079 176.300 -0.046 0.000 1.052 109 R CA -0.386 55.684 56.100 -0.050 0.000 0.988 109 R CB 0.543 30.824 30.300 -0.032 0.000 1.025 109 R HN 0.390 nan 8.270 nan 0.000 0.469 110 V N 4.512 124.386 119.914 -0.068 0.000 2.443 110 V HA 0.178 4.298 4.120 0.000 0.000 0.293 110 V C -0.860 175.205 176.094 -0.047 0.000 1.021 110 V CA -0.984 61.282 62.300 -0.057 0.000 0.848 110 V CB 1.749 33.520 31.823 -0.086 0.000 0.998 110 V HN 0.785 nan 8.190 nan 0.000 0.424 111 D N 3.530 123.915 120.400 -0.025 0.000 2.304 111 D HA 0.669 5.309 4.640 0.000 0.000 0.250 111 D C 0.581 176.876 176.300 -0.008 0.000 1.107 111 D CA 1.134 55.125 54.000 -0.014 0.000 0.885 111 D CB 1.723 42.522 40.800 -0.002 0.000 1.192 111 D HN 1.026 nan 8.370 nan 0.000 0.436 112 G N 0.871 109.672 108.800 0.001 0.000 2.354 112 G HA2 -0.055 3.905 3.960 0.000 0.000 0.582 112 G HA3 -0.055 3.905 3.960 0.000 0.000 0.582 112 G C -1.414 173.510 174.900 0.039 0.000 1.316 112 G CA -1.022 44.094 45.100 0.027 0.000 0.995 112 G HN 0.601 nan 8.290 nan 0.000 0.573 113 H N 0.781 119.837 119.070 -0.025 0.000 2.594 113 H HA 0.644 5.201 4.556 0.000 0.000 0.304 113 H C 0.482 175.787 175.328 -0.040 0.000 1.068 113 H CA 0.405 56.438 56.048 -0.026 0.000 1.308 113 H CB 0.946 30.701 29.762 -0.012 0.000 1.409 113 H HN 0.976 nan 8.280 nan 0.000 0.460 114 A N 6.021 128.627 122.820 -0.358 0.000 2.363 114 A HA 0.495 4.815 4.320 0.000 0.000 0.270 114 A C -0.017 177.397 177.584 -0.283 0.000 1.121 114 A CA -0.472 51.397 52.037 -0.279 0.000 0.800 114 A CB 0.450 19.271 19.000 -0.299 0.000 1.052 114 A HN 0.853 nan 8.150 nan 0.000 0.493 115 R N 0.861 121.278 120.500 -0.138 0.000 2.686 115 R HA 0.457 4.797 4.340 0.000 0.000 0.283 115 R C -1.497 174.750 176.300 -0.089 0.000 0.978 115 R CA -0.560 55.520 56.100 -0.033 0.000 0.897 115 R CB 1.661 32.011 30.300 0.084 0.000 1.192 115 R HN 0.651 nan 8.270 nan 0.000 0.457 116 F N 0.890 120.830 119.950 -0.016 0.000 2.518 116 F HA 0.021 4.548 4.527 0.000 0.000 0.359 116 F C 1.383 177.170 175.800 -0.022 0.000 1.118 116 F CA 0.162 58.148 58.000 -0.022 0.000 1.287 116 F CB 0.853 39.837 39.000 -0.026 0.000 1.132 116 F HN 0.230 nan 8.300 nan 0.000 0.587 117 V N 0.721 120.713 119.914 0.131 0.000 3.455 117 V HA 0.073 4.193 4.120 0.000 0.000 0.250 117 V C -0.375 175.740 176.094 0.036 0.000 1.230 117 V CA 0.947 63.284 62.300 0.063 0.000 1.105 117 V CB 0.224 32.060 31.823 0.022 0.000 0.850 117 V HN 0.929 nan 8.190 nan 0.000 0.461 118 D N -2.628 117.791 120.400 0.031 0.000 2.825 118 D HA 0.399 5.039 4.640 0.000 0.000 0.327 118 D C 0.898 177.186 176.300 -0.020 0.000 1.277 118 D CA 0.152 54.122 54.000 -0.049 0.000 0.950 118 D CB 0.933 41.632 40.800 -0.167 0.000 1.438 118 D HN -0.074 nan 8.370 nan 0.000 0.526 119 A N -0.814 121.936 122.820 -0.116 0.000 2.032 119 A HA -0.167 4.153 4.320 0.000 0.000 0.221 119 A C 1.318 178.953 177.584 0.085 0.000 1.165 119 A CA 2.066 54.077 52.037 -0.045 0.000 0.645 119 A CB -1.087 17.902 19.000 -0.020 0.000 0.807 119 A HN 0.704 nan 8.150 nan 0.000 0.453 120 H N -2.828 116.325 119.070 0.138 0.000 3.007 120 H HA 0.282 4.838 4.556 0.000 0.000 0.251 120 H C -0.115 175.282 175.328 0.116 0.000 1.188 120 H CA 0.517 56.644 56.048 0.132 0.000 1.017 120 H CB -0.690 29.115 29.762 0.072 0.000 1.805 120 H HN 0.329 nan 8.280 nan 0.000 0.659 121 T N 0.403 114.989 114.554 0.052 0.000 2.909 121 T HA 0.576 4.926 4.350 0.000 0.000 0.299 121 T C -0.351 174.327 174.700 -0.036 0.000 1.073 121 T CA -0.752 61.372 62.100 0.041 0.000 0.999 121 T CB 2.361 71.255 68.868 0.043 0.000 1.098 121 T HN 0.407 nan 8.240 nan 0.000 0.477 122 I N -0.141 120.362 120.570 -0.111 0.000 2.910 122 I HA 0.855 5.025 4.170 0.000 0.000 0.310 122 I C -0.590 175.468 176.117 -0.099 0.000 1.043 122 I CA -1.084 60.095 61.300 -0.202 0.000 1.053 122 I CB 2.193 39.971 38.000 -0.371 0.000 1.242 122 I HN 0.807 nan 8.210 nan 0.000 0.452 123 E N 2.848 122.997 120.200 -0.085 0.000 2.234 123 E HA 0.655 5.005 4.350 0.000 0.000 0.266 123 E C -1.848 174.727 176.600 -0.042 0.000 0.877 123 E CA -0.837 55.540 56.400 -0.038 0.000 0.758 123 E CB 2.377 32.074 29.700 -0.006 0.000 1.170 123 E HN 0.597 nan 8.360 nan 0.000 0.415 124 V N 4.825 124.722 119.914 -0.030 0.000 2.419 124 V HA 0.180 4.300 4.120 0.000 0.000 0.287 124 V C -0.489 175.606 176.094 0.002 0.000 1.017 124 V CA -0.689 61.599 62.300 -0.021 0.000 0.844 124 V CB 1.221 33.016 31.823 -0.047 0.000 1.011 124 V HN 0.959 nan 8.190 nan 0.000 0.429 125 E N 3.628 123.839 120.200 0.019 0.000 2.228 125 E HA -0.306 4.044 4.350 0.000 0.000 0.213 125 E C 1.319 177.927 176.600 0.015 0.000 1.282 125 E CA 0.643 57.055 56.400 0.019 0.000 0.707 125 E CB -1.254 28.456 29.700 0.018 0.000 1.150 125 E HN 1.522 nan 8.360 nan 0.000 0.362 126 G N 0.249 109.057 108.800 0.014 0.000 2.267 126 G HA2 -0.424 3.536 3.960 0.000 0.000 0.257 126 G HA3 -0.424 3.536 3.960 0.000 0.000 0.257 126 G C 0.202 175.111 174.900 0.014 0.000 0.998 126 G CA 0.577 45.685 45.100 0.014 0.000 0.620 126 G HN 0.462 nan 8.290 nan 0.000 0.529 127 Q N 0.741 120.548 119.800 0.012 0.000 2.279 127 Q HA 0.589 4.929 4.340 0.000 0.000 0.256 127 Q C 0.181 176.189 176.000 0.013 0.000 0.937 127 Q CA -0.565 55.248 55.803 0.017 0.000 0.933 127 Q CB 0.445 29.195 28.738 0.019 0.000 1.189 127 Q HN 0.479 nan 8.270 nan 0.000 0.417 128 R N 3.185 123.701 120.500 0.027 0.000 2.428 128 R HA 0.613 4.953 4.340 0.000 0.000 0.294 128 R C -0.959 175.376 176.300 0.058 0.000 1.000 128 R CA -0.275 55.843 56.100 0.029 0.000 0.960 128 R CB 1.054 31.374 30.300 0.033 0.000 1.076 128 R HN 0.541 nan 8.270 nan 0.000 0.475 129 L N 1.098 122.351 121.223 0.051 0.000 2.464 129 L HA 0.462 4.802 4.340 0.000 0.000 0.266 129 L C -0.768 176.169 176.870 0.111 0.000 0.965 129 L CA -0.684 54.219 54.840 0.105 0.000 0.833 129 L CB 2.388 44.463 42.059 0.026 0.000 1.296 129 L HN 0.597 nan 8.230 nan 0.000 0.405 130 S N 1.217 117.038 115.700 0.202 0.000 2.621 130 S HA 0.948 5.419 4.470 0.000 0.000 0.302 130 S C -0.471 174.278 174.600 0.248 0.000 1.093 130 S CA -0.588 57.742 58.200 0.217 0.000 1.017 130 S CB 2.240 65.593 63.200 0.256 0.000 1.077 130 S HN 0.759 nan 8.310 nan 0.000 0.517 131 A N 0.582 123.527 122.820 0.208 0.000 2.606 131 A HA 0.609 4.929 4.320 0.000 0.000 0.293 131 A C -0.238 177.423 177.584 0.129 0.000 1.082 131 A CA -0.648 51.512 52.037 0.205 0.000 0.685 131 A CB 0.641 19.773 19.000 0.220 0.000 1.284 131 A HN 0.626 nan 8.150 nan 0.000 0.408 132 D N 0.614 121.059 120.400 0.076 0.000 2.178 132 D HA -0.029 4.611 4.640 0.000 0.000 0.201 132 D C -0.087 176.023 176.300 -0.317 0.000 0.980 132 D CA 1.688 55.597 54.000 -0.152 0.000 0.842 132 D CB -0.028 40.651 40.800 -0.200 0.000 0.948 132 D HN 0.559 nan 8.370 nan 0.000 0.472 133 H N -0.639 118.612 119.070 0.302 0.000 2.840 133 H HA 0.421 4.977 4.556 0.000 0.000 0.340 133 H C -0.261 175.288 175.328 0.369 0.000 1.004 133 H CA -0.478 55.827 56.048 0.429 0.000 1.288 133 H CB 1.565 31.587 29.762 0.433 0.000 1.607 133 H HN -0.123 nan 8.280 nan 0.000 0.522 134 I N 3.317 124.178 120.570 0.484 0.000 2.389 134 I HA 0.207 4.377 4.170 0.000 0.000 0.288 134 I C -0.047 176.340 176.117 0.451 0.000 0.999 134 I CA -0.948 60.566 61.300 0.357 0.000 1.129 134 I CB 2.036 40.207 38.000 0.286 0.000 1.288 134 I HN 0.155 nan 8.210 nan 0.000 0.444 135 V N 7.448 127.558 119.914 0.326 0.000 2.347 135 V HA 0.373 4.494 4.120 0.000 0.000 0.280 135 V C 0.275 176.487 176.094 0.196 0.000 1.021 135 V CA -0.463 62.015 62.300 0.297 0.000 0.847 135 V CB 1.477 33.411 31.823 0.186 0.000 0.990 135 V HN 0.476 nan 8.190 nan 0.000 0.444 136 I N 4.468 125.173 120.570 0.224 0.000 2.337 136 I HA 0.544 4.714 4.170 0.000 0.000 0.291 136 I C 0.633 176.815 176.117 0.108 0.000 1.046 136 I CA 0.097 61.498 61.300 0.168 0.000 1.324 136 I CB 1.063 39.190 38.000 0.212 0.000 1.409 136 I HN 0.670 nan 8.210 nan 0.000 0.494 137 A N 3.778 126.633 122.820 0.059 0.000 3.410 137 A HA 0.314 4.634 4.320 0.000 0.000 0.276 137 A C 0.750 178.340 177.584 0.010 0.000 0.995 137 A CA -0.424 51.635 52.037 0.036 0.000 0.934 137 A CB -0.216 18.798 19.000 0.024 0.000 1.191 137 A HN 0.757 nan 8.150 nan 0.000 0.511 138 T N -2.558 112.007 114.554 0.019 0.000 3.129 138 T HA 0.442 4.793 4.350 0.000 0.000 0.251 138 T C 1.343 176.052 174.700 0.015 0.000 1.117 138 T CA 0.955 63.059 62.100 0.006 0.000 1.034 138 T CB -0.215 68.661 68.868 0.013 0.000 0.968 138 T HN 2.071 nan 8.240 nan 0.000 0.526 139 G N 0.530 109.340 108.800 0.017 0.000 2.601 139 G HA2 0.194 4.154 3.960 0.000 0.000 0.261 139 G HA3 0.194 4.154 3.960 0.000 0.000 0.261 139 G C 0.114 175.029 174.900 0.026 0.000 1.289 139 G CA -0.354 44.757 45.100 0.017 0.000 0.920 139 G HN 1.137 nan 8.290 nan 0.000 0.571 140 G N -1.139 107.677 108.800 0.026 0.000 3.140 140 G HA2 0.977 4.937 3.960 0.000 0.000 0.271 140 G HA3 0.977 4.937 3.960 0.000 0.000 0.271 140 G C -0.370 174.554 174.900 0.040 0.000 1.370 140 G CA 0.200 45.319 45.100 0.033 0.000 1.014 140 G HN 1.574 nan 8.290 nan 0.000 0.541 141 R N -1.096 119.430 120.500 0.044 0.000 2.663 141 R HA 0.505 4.845 4.340 0.000 0.000 0.267 141 R C -3.309 173.024 176.300 0.055 0.000 1.038 141 R CA -1.574 54.558 56.100 0.053 0.000 0.886 141 R CB 1.575 31.904 30.300 0.049 0.000 1.249 141 R HN 0.289 nan 8.270 nan 0.000 0.463 142 P HA 0.147 nan 4.420 nan 0.000 0.271 142 P C -0.342 176.982 177.300 0.040 0.000 1.216 142 P CA -0.136 63.009 63.100 0.076 0.000 0.776 142 P CB 0.468 32.236 31.700 0.113 0.000 0.881 143 I N 2.428 123.013 120.570 0.025 0.000 2.471 143 I HA 0.093 4.263 4.170 0.000 0.000 0.286 143 I C 0.059 176.110 176.117 -0.111 0.000 1.079 143 I CA -0.334 60.945 61.300 -0.034 0.000 1.398 143 I CB 0.547 38.528 38.000 -0.031 0.000 1.403 143 I HN -0.002 nan 8.210 nan 0.000 0.530 144 V N 7.972 127.767 119.914 -0.198 0.000 2.347 144 V HA 0.298 4.418 4.120 0.000 0.000 0.280 144 V C -2.037 173.771 176.094 -0.477 0.000 1.021 144 V CA -1.724 60.310 62.300 -0.444 0.000 0.847 144 V CB 0.880 32.520 31.823 -0.305 0.000 0.990 144 V HN 0.616 nan 8.190 nan 0.000 0.444 145 P HA 0.263 nan 4.420 nan 0.000 0.269 145 P C -0.160 176.933 177.300 -0.346 0.000 1.209 145 P CA -0.562 62.250 63.100 -0.480 0.000 0.776 145 P CB 0.521 31.869 31.700 -0.586 0.000 0.876 146 R N 1.793 122.179 120.500 -0.191 0.000 4.556 146 R HA 0.280 4.621 4.340 0.000 0.000 0.197 146 R C -0.399 175.854 176.300 -0.078 0.000 1.791 146 R CA 0.205 56.236 56.100 -0.115 0.000 1.526 146 R CB -1.389 28.866 30.300 -0.075 0.000 1.410 146 R HN 0.434 nan 8.270 nan 0.000 0.826 147 L N 0.797 121.972 121.223 -0.080 0.000 2.319 147 L HA 0.599 4.939 4.340 0.000 0.000 0.267 147 L C -2.025 174.868 176.870 0.039 0.000 1.011 147 L CA -2.718 52.121 54.840 -0.001 0.000 0.818 147 L CB 1.920 44.007 42.059 0.047 0.000 1.316 147 L HN 0.129 nan 8.230 nan 0.000 0.432 148 P HA 0.092 nan 4.420 nan 0.000 0.263 148 P C 0.567 177.929 177.300 0.103 0.000 1.195 148 P CA 0.477 63.616 63.100 0.066 0.000 0.762 148 P CB 0.554 32.288 31.700 0.057 0.000 0.799 149 G N 3.139 111.995 108.800 0.094 0.000 2.179 149 G HA2 -0.311 3.650 3.960 0.000 0.000 0.257 149 G HA3 -0.311 3.650 3.960 0.000 0.000 0.257 149 G C 1.122 176.139 174.900 0.195 0.000 1.010 149 G CA 0.333 45.505 45.100 0.120 0.000 0.736 149 G HN 0.679 nan 8.290 nan 0.000 0.513 150 A N 0.434 123.378 122.820 0.207 0.000 2.019 150 A HA 0.046 4.367 4.320 0.000 0.000 0.219 150 A C 2.193 179.988 177.584 0.351 0.000 1.164 150 A CA 2.083 54.321 52.037 0.336 0.000 0.644 150 A CB -0.203 18.793 19.000 -0.006 0.000 0.805 150 A HN 0.954 nan 8.150 nan 0.000 0.449 151 E N 0.294 120.603 120.200 0.183 0.000 2.418 151 E HA -0.111 4.239 4.350 0.000 0.000 0.197 151 E C 1.429 178.125 176.600 0.160 0.000 1.026 151 E CA 0.462 56.952 56.400 0.150 0.000 0.862 151 E CB -0.443 29.308 29.700 0.085 0.000 0.799 151 E HN 0.442 nan 8.360 nan 0.000 0.518 152 L N 1.095 122.419 121.223 0.168 0.000 2.275 152 L HA 0.091 4.431 4.340 0.000 0.000 0.215 152 L C 1.357 178.295 176.870 0.114 0.000 1.119 152 L CA 1.263 56.175 54.840 0.120 0.000 0.790 152 L CB -1.261 40.857 42.059 0.098 0.000 0.919 152 L HN 0.103 nan 8.230 nan 0.000 0.443 153 G N -0.217 108.701 108.800 0.198 0.000 2.412 153 G HA2 0.556 4.516 3.960 0.000 0.000 0.318 153 G HA3 0.556 4.516 3.960 0.000 0.000 0.318 153 G C -0.183 174.866 174.900 0.248 0.000 1.146 153 G CA -0.469 44.703 45.100 0.119 0.000 0.882 153 G HN 0.147 nan 8.290 nan 0.000 0.501 154 I N -1.275 119.392 120.570 0.163 0.000 3.205 154 I HA 0.861 5.031 4.170 0.000 0.000 0.310 154 I C 0.524 176.790 176.117 0.247 0.000 1.089 154 I CA -0.921 60.495 61.300 0.193 0.000 1.023 154 I CB 2.144 40.224 38.000 0.133 0.000 1.269 154 I HN 0.582 nan 8.210 nan 0.000 0.512 155 T N -1.760 112.929 114.554 0.223 0.000 2.804 155 T HA 0.304 4.654 4.350 0.000 0.000 0.272 155 T C 1.064 175.889 174.700 0.209 0.000 0.986 155 T CA -0.017 62.217 62.100 0.224 0.000 0.999 155 T CB 1.085 70.074 68.868 0.201 0.000 1.307 155 T HN 0.814 nan 8.240 nan 0.000 0.586 156 S N 0.209 116.030 115.700 0.202 0.000 2.382 156 S HA -0.168 4.303 4.470 0.000 0.000 0.228 156 S C 1.334 176.169 174.600 0.393 0.000 1.027 156 S CA 1.476 59.816 58.200 0.232 0.000 0.991 156 S CB -0.995 62.352 63.200 0.245 0.000 0.823 156 S HN 0.712 nan 8.310 nan 0.000 0.469 157 D N 2.331 122.934 120.400 0.337 0.000 2.104 157 D HA -0.031 4.609 4.640 0.000 0.000 0.194 157 D C 2.214 178.693 176.300 0.298 0.000 0.994 157 D CA 1.558 55.756 54.000 0.331 0.000 0.830 157 D CB -1.152 39.776 40.800 0.214 0.000 0.959 157 D HN 0.566 nan 8.370 nan 0.000 0.452 158 G N -0.102 108.838 108.800 0.234 0.000 2.422 158 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 158 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 158 G C 1.514 176.522 174.900 0.180 0.000 1.146 158 G CA 0.391 45.602 45.100 0.185 0.000 0.769 158 G HN 0.270 nan 8.290 nan 0.000 0.547 159 F N 1.060 121.030 119.950 0.033 0.000 2.095 159 F HA -0.030 4.497 4.527 0.000 0.000 0.298 159 F C 2.066 177.822 175.800 -0.073 0.000 1.104 159 F CA 1.346 59.299 58.000 -0.078 0.000 1.232 159 F CB -0.199 38.631 39.000 -0.282 0.000 0.987 159 F HN 0.113 nan 8.300 nan 0.000 0.475 160 F N 0.228 120.341 119.950 0.271 0.000 2.604 160 F HA 0.086 4.613 4.527 0.000 0.000 0.298 160 F C 2.308 178.146 175.800 0.063 0.000 1.131 160 F CA 0.696 58.773 58.000 0.129 0.000 1.457 160 F CB -1.146 37.982 39.000 0.213 0.000 1.095 160 F HN 0.092 nan 8.300 nan 0.000 0.574 161 A N -0.219 122.719 122.820 0.198 0.000 2.081 161 A HA 0.154 4.475 4.320 0.000 0.000 0.214 161 A C 1.110 178.759 177.584 0.108 0.000 1.158 161 A CA -0.126 51.997 52.037 0.143 0.000 0.724 161 A CB -0.608 18.470 19.000 0.130 0.000 0.826 161 A HN 0.178 nan 8.150 nan 0.000 0.463 162 L N 1.072 122.340 121.223 0.074 0.000 2.628 162 L HA -0.065 4.275 4.340 0.000 0.000 0.274 162 L C 1.233 178.245 176.870 0.236 0.000 1.209 162 L CA -0.368 54.516 54.840 0.073 0.000 0.930 162 L CB 0.406 42.438 42.059 -0.045 0.000 1.183 162 L HN 0.393 nan 8.230 nan 0.000 0.492 163 Q N 1.748 121.627 119.800 0.132 0.000 2.402 163 Q HA 0.118 4.458 4.340 0.000 0.000 0.206 163 Q C -0.070 176.021 176.000 0.151 0.000 0.919 163 Q CA 0.670 56.580 55.803 0.179 0.000 0.923 163 Q CB 0.606 29.396 28.738 0.087 0.000 1.048 163 Q HN 0.587 nan 8.270 nan 0.000 0.515 164 Q N -0.137 119.565 119.800 -0.164 0.000 2.423 164 Q HA 0.282 4.622 4.340 0.000 0.000 0.278 164 Q C -0.943 174.359 176.000 -1.163 0.000 1.097 164 Q CA -0.407 55.113 55.803 -0.471 0.000 0.809 164 Q CB 1.789 30.380 28.738 -0.244 0.000 1.391 164 Q HN 0.103 nan 8.270 nan 0.000 0.428 165 Q N 3.216 122.239 119.800 -1.295 0.000 2.296 165 Q HA 0.224 4.564 4.340 0.000 0.000 0.263 165 Q C -1.973 173.660 176.000 -0.610 0.000 1.026 165 Q CA -1.312 53.702 55.803 -1.316 0.000 0.912 165 Q CB 0.567 28.910 28.738 -0.657 0.000 1.198 165 Q HN 0.217 nan 8.270 nan 0.000 0.407 166 P HA 0.111 nan 4.420 nan 0.000 0.271 166 P C -0.358 176.865 177.300 -0.127 0.000 1.216 166 P CA 0.067 63.026 63.100 -0.236 0.000 0.776 166 P CB 1.101 32.702 31.700 -0.165 0.000 0.881 167 K N 2.509 122.866 120.400 -0.072 0.000 2.211 167 K HA 0.084 4.404 4.320 0.000 0.000 0.201 167 K C 1.165 177.772 176.600 0.011 0.000 1.052 167 K CA 0.903 57.172 56.287 -0.031 0.000 0.973 167 K CB -0.158 32.320 32.500 -0.037 0.000 0.766 167 K HN 0.464 nan 8.250 nan 0.000 0.466 168 R N -0.071 120.452 120.500 0.040 0.000 2.468 168 R HA 0.466 4.806 4.340 0.000 0.000 0.302 168 R C -1.595 174.858 176.300 0.254 0.000 1.041 168 R CA -0.340 55.833 56.100 0.120 0.000 0.899 168 R CB 1.996 32.326 30.300 0.049 0.000 1.167 168 R HN 0.117 nan 8.270 nan 0.000 0.483 169 V N 2.001 122.035 119.914 0.200 0.000 2.483 169 V HA 0.759 4.879 4.120 0.000 0.000 0.295 169 V C -0.113 175.859 176.094 -0.204 0.000 1.035 169 V CA -0.887 61.439 62.300 0.044 0.000 0.896 169 V CB 1.862 33.688 31.823 0.005 0.000 0.986 169 V HN 0.806 nan 8.190 nan 0.000 0.447 170 A N 5.869 128.278 122.820 -0.686 0.000 2.288 170 A HA 0.859 5.179 4.320 0.000 0.000 0.320 170 A C -0.754 176.506 177.584 -0.540 0.000 1.217 170 A CA -0.448 51.000 52.037 -0.982 0.000 0.840 170 A CB 0.510 18.434 19.000 -1.794 0.000 1.179 170 A HN 0.770 nan 8.150 nan 0.000 0.504 171 I N 3.101 123.435 120.570 -0.394 0.000 2.362 171 I HA 0.320 4.490 4.170 0.000 0.000 0.289 171 I C -0.685 175.273 176.117 -0.265 0.000 0.994 171 I CA -0.213 60.922 61.300 -0.275 0.000 1.158 171 I CB 1.641 39.536 38.000 -0.175 0.000 1.315 171 I HN 0.521 nan 8.210 nan 0.000 0.451 172 I N 6.418 126.834 120.570 -0.256 0.000 2.307 172 I HA 0.609 4.779 4.170 0.000 0.000 0.287 172 I C 0.404 176.520 176.117 -0.002 0.000 1.054 172 I CA -0.215 60.978 61.300 -0.178 0.000 1.218 172 I CB 0.916 38.716 38.000 -0.333 0.000 1.398 172 I HN 0.789 nan 8.210 nan 0.000 0.475 173 G N 4.398 113.205 108.800 0.011 0.000 2.764 173 G HA2 0.214 4.174 3.960 0.000 0.000 0.678 173 G HA3 0.214 4.174 3.960 0.000 0.000 0.678 173 G C -0.584 174.336 174.900 0.032 0.000 1.341 173 G CA -0.317 44.819 45.100 0.059 0.000 0.836 173 G HN 0.798 nan 8.290 nan 0.000 0.632 174 A N 1.115 123.965 122.820 0.050 0.000 2.705 174 A HA 0.803 5.123 4.320 0.000 0.000 0.294 174 A C 1.232 178.854 177.584 0.065 0.000 1.039 174 A CA 1.095 53.153 52.037 0.034 0.000 1.005 174 A CB -0.110 18.903 19.000 0.022 0.000 1.192 174 A HN 2.120 nan 8.150 nan 0.000 0.513 175 G N -1.377 107.489 108.800 0.110 0.000 2.508 175 G HA2 0.336 4.296 3.960 0.000 0.000 0.278 175 G HA3 0.336 4.296 3.960 0.000 0.000 0.278 175 G C 0.661 175.648 174.900 0.145 0.000 1.389 175 G CA -0.262 44.943 45.100 0.176 0.000 1.050 175 G HN 0.283 nan 8.290 nan 0.000 0.522 176 Y N -0.118 120.216 120.300 0.057 0.000 2.002 176 Y HA -0.300 4.250 4.550 0.000 0.000 0.268 176 Y C 2.799 178.707 175.900 0.013 0.000 1.177 176 Y CA 2.420 60.532 58.100 0.020 0.000 1.111 176 Y CB -0.356 38.152 38.460 0.080 0.000 0.952 176 Y HN 0.438 nan 8.280 nan 0.000 0.491 177 I N -0.658 120.051 120.570 0.232 0.000 2.315 177 I HA -0.021 4.149 4.170 0.000 0.000 0.248 177 I C 2.343 178.476 176.117 0.026 0.000 1.117 177 I CA 1.981 63.356 61.300 0.125 0.000 1.404 177 I CB -1.050 37.023 38.000 0.122 0.000 1.071 177 I HN 0.101 nan 8.210 nan 0.000 0.419 178 G N 1.607 110.425 108.800 0.031 0.000 2.440 178 G HA2 -0.194 3.767 3.960 0.000 0.000 0.218 178 G HA3 -0.194 3.767 3.960 0.000 0.000 0.218 178 G C 1.543 176.415 174.900 -0.047 0.000 1.154 178 G CA 1.304 46.391 45.100 -0.021 0.000 0.767 178 G HN 0.430 nan 8.290 nan 0.000 0.552 179 I N 0.972 121.523 120.570 -0.032 0.000 2.286 179 I HA -0.039 4.131 4.170 0.000 0.000 0.245 179 I C 2.590 178.686 176.117 -0.035 0.000 1.104 179 I CA 0.921 62.188 61.300 -0.054 0.000 1.397 179 I CB -1.217 36.724 38.000 -0.099 0.000 1.072 179 I HN 0.339 nan 8.210 nan 0.000 0.417 180 E N 0.755 120.953 120.200 -0.003 0.000 2.051 180 E HA -0.164 4.186 4.350 0.000 0.000 0.192 180 E C 2.428 179.012 176.600 -0.027 0.000 0.991 180 E CA 0.937 57.365 56.400 0.046 0.000 0.799 180 E CB -0.096 29.674 29.700 0.117 0.000 0.748 180 E HN 0.387 nan 8.360 nan 0.000 0.449 181 L N 0.653 121.791 121.223 -0.143 0.000 2.042 181 L HA -0.209 4.131 4.340 0.000 0.000 0.210 181 L C 2.650 179.423 176.870 -0.162 0.000 1.076 181 L CA 1.084 55.732 54.840 -0.320 0.000 0.749 181 L CB -0.675 41.073 42.059 -0.518 0.000 0.893 181 L HN 0.174 nan 8.230 nan 0.000 0.432 182 A N 0.489 123.244 122.820 -0.108 0.000 1.883 182 A HA -0.165 4.155 4.320 0.000 0.000 0.217 182 A C 2.403 179.951 177.584 -0.060 0.000 1.186 182 A CA 1.935 53.929 52.037 -0.071 0.000 0.624 182 A CB -1.271 17.688 19.000 -0.068 0.000 0.822 182 A HN 0.455 nan 8.150 nan 0.000 0.444 183 G N -0.416 108.353 108.800 -0.053 0.000 2.418 183 G HA2 -0.134 3.826 3.960 0.000 0.000 0.217 183 G HA3 -0.134 3.826 3.960 0.000 0.000 0.217 183 G C 1.570 176.387 174.900 -0.138 0.000 1.158 183 G CA 0.973 46.038 45.100 -0.058 0.000 0.771 183 G HN 0.421 nan 8.290 nan 0.000 0.545 184 L N -0.285 120.857 121.223 -0.134 0.000 1.976 184 L HA -0.045 4.295 4.340 0.000 0.000 0.209 184 L C 2.954 179.547 176.870 -0.462 0.000 1.071 184 L CA 0.895 55.544 54.840 -0.317 0.000 0.746 184 L CB -0.491 41.561 42.059 -0.013 0.000 0.890 184 L HN 0.188 nan 8.230 nan 0.000 0.432 185 L N -0.691 120.509 121.223 -0.039 0.000 2.093 185 L HA -0.197 4.144 4.340 0.000 0.000 0.208 185 L C 2.783 179.690 176.870 0.062 0.000 1.085 185 L CA 0.883 55.820 54.840 0.163 0.000 0.755 185 L CB -0.367 41.819 42.059 0.213 0.000 0.904 185 L HN 0.199 nan 8.230 nan 0.000 0.435 186 R N -0.388 120.094 120.500 -0.031 0.000 2.075 186 R HA -0.107 4.234 4.340 0.000 0.000 0.232 186 R C 2.474 178.743 176.300 -0.051 0.000 1.126 186 R CA 1.644 57.728 56.100 -0.027 0.000 0.963 186 R CB -0.688 29.584 30.300 -0.047 0.000 0.858 186 R HN 0.096 nan 8.270 nan 0.000 0.435 187 S N -0.596 115.005 115.700 -0.165 0.000 2.400 187 S HA -0.089 4.381 4.470 0.000 0.000 0.232 187 S C 0.956 175.530 174.600 -0.043 0.000 1.025 187 S CA 1.024 59.109 58.200 -0.191 0.000 0.993 187 S CB -0.268 62.709 63.200 -0.372 0.000 0.808 187 S HN 0.361 nan 8.310 nan 0.000 0.478 188 F N 0.904 120.905 119.950 0.086 0.000 2.797 188 F HA 0.345 4.872 4.527 0.000 0.000 0.302 188 F C 1.895 177.746 175.800 0.085 0.000 1.130 188 F CA -0.169 57.899 58.000 0.113 0.000 1.387 188 F CB -0.706 38.425 39.000 0.219 0.000 1.107 188 F HN 0.284 nan 8.300 nan 0.000 0.577 189 G N 0.029 108.945 108.800 0.194 0.000 2.132 189 G HA2 -0.251 3.709 3.960 0.000 0.000 0.234 189 G HA3 -0.251 3.709 3.960 0.000 0.000 0.234 189 G C 0.297 175.251 174.900 0.091 0.000 0.989 189 G CA 0.185 45.353 45.100 0.114 0.000 0.676 189 G HN 0.281 nan 8.290 nan 0.000 0.522 190 S N 0.544 116.308 115.700 0.107 0.000 2.617 190 S HA 0.487 4.957 4.470 0.000 0.000 0.269 190 S C 0.304 174.933 174.600 0.049 0.000 1.292 190 S CA -0.650 57.594 58.200 0.073 0.000 1.010 190 S CB 1.273 64.527 63.200 0.091 0.000 0.944 190 S HN 0.331 nan 8.310 nan 0.000 0.536 191 E N 1.609 121.835 120.200 0.043 0.000 2.324 191 E HA 0.231 4.581 4.350 0.000 0.000 0.271 191 E C -0.899 175.744 176.600 0.073 0.000 1.028 191 E CA 0.007 56.435 56.400 0.046 0.000 0.890 191 E CB 0.828 30.553 29.700 0.041 0.000 1.004 191 E HN 0.245 nan 8.360 nan 0.000 0.431 192 V N 3.650 123.594 119.914 0.049 0.000 2.443 192 V HA 0.265 4.386 4.120 0.000 0.000 0.293 192 V C -0.087 176.023 176.094 0.026 0.000 1.021 192 V CA -0.700 61.618 62.300 0.029 0.000 0.848 192 V CB 2.027 33.848 31.823 -0.004 0.000 0.998 192 V HN 0.561 nan 8.190 nan 0.000 0.424 193 T N 4.299 118.867 114.554 0.023 0.000 2.797 193 T HA 0.606 4.956 4.350 0.000 0.000 0.279 193 T C -0.440 174.186 174.700 -0.124 0.000 0.991 193 T CA -0.436 61.664 62.100 0.000 0.000 0.979 193 T CB 1.818 70.752 68.868 0.110 0.000 0.943 193 T HN 0.657 nan 8.240 nan 0.000 0.444 194 V N 3.855 123.713 119.914 -0.094 0.000 2.555 194 V HA 0.895 5.015 4.120 0.000 0.000 0.302 194 V C -0.430 175.592 176.094 -0.121 0.000 1.038 194 V CA -0.739 61.483 62.300 -0.131 0.000 0.887 194 V CB 1.436 33.202 31.823 -0.095 0.000 0.991 194 V HN 0.823 nan 8.190 nan 0.000 0.434 195 V N 3.261 123.066 119.914 -0.182 0.000 2.815 195 V HA 1.093 5.214 4.120 0.000 0.000 0.314 195 V C -0.031 176.038 176.094 -0.041 0.000 1.064 195 V CA -0.140 62.058 62.300 -0.171 0.000 0.952 195 V CB 1.209 32.734 31.823 -0.496 0.000 1.020 195 V HN 2.049 nan 8.190 nan 0.000 0.439 196 A N 2.559 125.410 122.820 0.051 0.000 2.574 196 A HA 0.745 5.065 4.320 0.000 0.000 0.297 196 A C -0.026 177.614 177.584 0.093 0.000 1.062 196 A CA -0.491 51.586 52.037 0.067 0.000 0.686 196 A CB 1.726 20.748 19.000 0.037 0.000 1.285 196 A HN 1.092 nan 8.150 nan 0.000 0.403 197 L N 0.580 121.841 121.223 0.063 0.000 2.083 197 L HA -0.020 4.320 4.340 0.000 0.000 0.209 197 L C 1.060 177.901 176.870 -0.047 0.000 1.083 197 L CA 1.939 56.794 54.840 0.026 0.000 0.752 197 L CB -0.378 41.684 42.059 0.004 0.000 0.899 197 L HN 0.854 nan 8.230 nan 0.000 0.433 198 E N -0.697 119.438 120.200 -0.110 0.000 2.376 198 E HA 0.020 4.370 4.350 0.000 0.000 0.254 198 E C 0.834 177.366 176.600 -0.114 0.000 1.213 198 E CA 0.497 56.752 56.400 -0.241 0.000 0.945 198 E CB 0.244 29.689 29.700 -0.426 0.000 1.057 198 E HN 0.240 nan 8.360 nan 0.000 0.479 199 D N -0.157 120.172 120.400 -0.119 0.000 2.340 199 D HA -0.037 4.603 4.640 0.000 0.000 0.220 199 D C -0.110 176.206 176.300 0.027 0.000 1.039 199 D CA 0.167 54.155 54.000 -0.020 0.000 0.866 199 D CB 0.027 40.825 40.800 -0.003 0.000 0.913 199 D HN 0.348 nan 8.370 nan 0.000 0.523 200 R N -0.625 119.908 120.500 0.054 0.000 2.680 200 R HA 0.505 4.845 4.340 0.000 0.000 0.269 200 R C -0.758 175.602 176.300 0.101 0.000 1.026 200 R CA -1.002 55.151 56.100 0.088 0.000 0.889 200 R CB 0.891 31.269 30.300 0.131 0.000 1.241 200 R HN -0.101 nan 8.270 nan 0.000 0.463 201 L N 1.589 122.850 121.223 0.063 0.000 2.473 201 L HA 0.142 4.482 4.340 0.000 0.000 0.268 201 L C 0.263 177.180 176.870 0.079 0.000 1.215 201 L CA -0.738 54.131 54.840 0.047 0.000 0.823 201 L CB 0.021 42.077 42.059 -0.005 0.000 1.099 201 L HN 0.580 nan 8.230 nan 0.000 0.483 202 L N 1.686 122.946 121.223 0.061 0.000 3.895 202 L HA -0.269 4.071 4.340 0.000 0.000 0.511 202 L C 0.718 177.744 176.870 0.259 0.000 1.222 202 L CA 0.844 55.728 54.840 0.072 0.000 0.739 202 L CB -1.415 40.523 42.059 -0.203 0.000 1.425 202 L HN 0.559 nan 8.230 nan 0.000 0.817 203 F N 0.151 120.175 119.950 0.122 0.000 2.161 203 F HA -0.269 4.259 4.527 0.000 0.000 0.300 203 F C 2.081 177.960 175.800 0.132 0.000 1.089 203 F CA 1.669 59.734 58.000 0.108 0.000 1.282 203 F CB 0.284 39.334 39.000 0.083 0.000 1.010 203 F HN 0.501 nan 8.300 nan 0.000 0.485 204 Q N -0.059 119.836 119.800 0.158 0.000 2.364 204 Q HA -0.077 4.263 4.340 0.000 0.000 0.207 204 Q C 0.023 175.931 176.000 -0.154 0.000 0.970 204 Q CA 0.794 56.573 55.803 -0.040 0.000 0.888 204 Q CB -0.464 28.304 28.738 0.051 0.000 0.951 204 Q HN 0.300 nan 8.270 nan 0.000 0.469 205 F N 0.785 120.673 119.950 -0.102 0.000 2.411 205 F HA 0.173 4.701 4.527 0.000 0.000 0.324 205 F C 1.072 176.785 175.800 -0.146 0.000 1.086 205 F CA -1.452 56.492 58.000 -0.093 0.000 1.028 205 F CB 0.393 39.341 39.000 -0.086 0.000 1.284 205 F HN -0.172 nan 8.300 nan 0.000 0.501 206 D N 1.788 122.185 120.400 -0.005 0.000 2.424 206 D HA 0.040 4.680 4.640 0.000 0.000 0.244 206 D C -1.804 174.446 176.300 -0.084 0.000 1.134 206 D CA -1.151 52.741 54.000 -0.181 0.000 0.881 206 D CB 1.539 42.038 40.800 -0.501 0.000 1.191 206 D HN 0.136 nan 8.370 nan 0.000 0.445 207 P HA -0.171 nan 4.420 nan 0.000 0.218 207 P C 1.421 178.700 177.300 -0.035 0.000 1.146 207 P CA 0.566 63.641 63.100 -0.041 0.000 0.820 207 P CB 0.169 31.843 31.700 -0.044 0.000 0.778 208 L N -1.216 119.974 121.223 -0.056 0.000 2.056 208 L HA -0.114 4.226 4.340 0.000 0.000 0.207 208 L C 2.156 179.011 176.870 -0.026 0.000 1.078 208 L CA 1.733 56.551 54.840 -0.036 0.000 0.749 208 L CB -1.159 40.879 42.059 -0.035 0.000 0.901 208 L HN -0.113 nan 8.230 nan 0.000 0.433 209 L N -1.465 119.745 121.223 -0.021 0.000 2.027 209 L HA -0.182 4.158 4.340 0.000 0.000 0.206 209 L C 2.519 179.366 176.870 -0.039 0.000 1.074 209 L CA 1.389 56.218 54.840 -0.018 0.000 0.745 209 L CB -0.948 41.125 42.059 0.023 0.000 0.898 209 L HN 0.226 nan 8.230 nan 0.000 0.433 210 S N 0.161 115.850 115.700 -0.017 0.000 2.365 210 S HA -0.237 4.233 4.470 0.000 0.000 0.225 210 S C 2.162 176.751 174.600 -0.018 0.000 1.039 210 S CA 1.526 59.718 58.200 -0.012 0.000 1.033 210 S CB -0.315 62.905 63.200 0.034 0.000 0.887 210 S HN 0.520 nan 8.310 nan 0.000 0.447 211 A N 1.100 123.911 122.820 -0.015 0.000 1.873 211 A HA -0.085 4.235 4.320 0.000 0.000 0.215 211 A C 2.363 179.930 177.584 -0.028 0.000 1.186 211 A CA 1.995 54.020 52.037 -0.019 0.000 0.616 211 A CB -1.364 17.626 19.000 -0.017 0.000 0.823 211 A HN 0.496 nan 8.150 nan 0.000 0.442 212 T N 0.372 114.906 114.554 -0.032 0.000 2.708 212 T HA -0.160 4.190 4.350 0.000 0.000 0.266 212 T C 1.851 176.525 174.700 -0.044 0.000 1.037 212 T CA 1.521 63.597 62.100 -0.039 0.000 1.146 212 T CB -0.477 68.365 68.868 -0.044 0.000 0.865 212 T HN 0.314 nan 8.240 nan 0.000 0.435 213 L N 1.691 122.882 121.223 -0.053 0.000 2.013 213 L HA -0.074 4.266 4.340 0.000 0.000 0.212 213 L C 2.631 179.477 176.870 -0.041 0.000 1.073 213 L CA 2.080 56.884 54.840 -0.060 0.000 0.753 213 L CB -1.105 40.899 42.059 -0.091 0.000 0.890 213 L HN 0.245 nan 8.230 nan 0.000 0.432 214 A N -0.752 122.048 122.820 -0.032 0.000 1.883 214 A HA -0.254 4.066 4.320 0.000 0.000 0.217 214 A C 2.129 179.714 177.584 0.001 0.000 1.186 214 A CA 1.987 54.014 52.037 -0.017 0.000 0.624 214 A CB -0.704 18.284 19.000 -0.021 0.000 0.822 214 A HN 0.663 nan 8.150 nan 0.000 0.444 215 E N -0.179 120.013 120.200 -0.014 0.000 2.031 215 E HA -0.207 4.143 4.350 0.000 0.000 0.193 215 E C 1.901 178.507 176.600 0.010 0.000 0.994 215 E CA 1.217 57.615 56.400 -0.004 0.000 0.800 215 E CB -0.340 29.344 29.700 -0.026 0.000 0.752 215 E HN 0.550 nan 8.360 nan 0.000 0.447 216 N N 0.769 119.457 118.700 -0.020 0.000 2.061 216 N HA -0.177 4.563 4.740 0.000 0.000 0.193 216 N C 1.826 177.319 175.510 -0.028 0.000 1.030 216 N CA 1.392 54.420 53.050 -0.036 0.000 0.856 216 N CB -0.259 38.200 38.487 -0.047 0.000 1.023 216 N HN 0.176 nan 8.380 nan 0.000 0.424 217 M N -0.734 118.856 119.600 -0.017 0.000 2.132 217 M HA -0.153 4.327 4.480 0.000 0.000 0.263 217 M C 2.096 178.387 176.300 -0.015 0.000 1.065 217 M CA 1.334 56.620 55.300 -0.023 0.000 1.122 217 M CB -0.355 32.231 32.600 -0.024 0.000 1.365 217 M HN 0.246 nan 8.290 nan 0.000 0.411 218 H N 0.313 119.344 119.070 -0.064 0.000 2.319 218 H HA -0.108 4.449 4.556 0.000 0.000 0.299 218 H C 1.919 177.205 175.328 -0.069 0.000 1.092 218 H CA 2.321 58.330 56.048 -0.066 0.000 1.302 218 H CB -0.023 29.700 29.762 -0.065 0.000 1.373 218 H HN 0.342 nan 8.280 nan 0.000 0.497 219 A N 0.106 122.929 122.820 0.006 0.000 2.024 219 A HA -0.209 4.111 4.320 0.000 0.000 0.220 219 A C 2.109 179.624 177.584 -0.116 0.000 1.164 219 A CA 1.852 53.851 52.037 -0.063 0.000 0.643 219 A CB -0.388 18.588 19.000 -0.040 0.000 0.806 219 A HN 0.695 nan 8.150 nan 0.000 0.451 220 Q N -2.013 117.724 119.800 -0.105 0.000 2.403 220 Q HA 0.286 4.626 4.340 0.000 0.000 0.203 220 Q C 1.059 176.993 176.000 -0.110 0.000 0.932 220 Q CA 0.379 56.125 55.803 -0.096 0.000 0.945 220 Q CB 0.246 28.939 28.738 -0.076 0.000 1.045 220 Q HN 0.870 nan 8.270 nan 0.000 0.511 221 G N 1.095 109.797 108.800 -0.164 0.000 2.141 221 G HA2 -0.240 3.720 3.960 0.000 0.000 0.231 221 G HA3 -0.240 3.720 3.960 0.000 0.000 0.231 221 G C 0.055 174.877 174.900 -0.131 0.000 0.984 221 G CA -0.401 44.597 45.100 -0.171 0.000 0.660 221 G HN 0.292 nan 8.290 nan 0.000 0.525 222 I N 1.391 121.893 120.570 -0.112 0.000 2.396 222 I HA 0.255 4.425 4.170 0.000 0.000 0.289 222 I C 0.788 176.866 176.117 -0.066 0.000 1.056 222 I CA -0.270 60.989 61.300 -0.069 0.000 1.365 222 I CB 1.168 39.136 38.000 -0.053 0.000 1.407 222 I HN 0.277 nan 8.210 nan 0.000 0.509 223 E N 6.107 126.285 120.200 -0.037 0.000 2.229 223 E HA 0.227 4.578 4.350 0.000 0.000 0.283 223 E C -0.536 176.043 176.600 -0.034 0.000 1.030 223 E CA -0.511 55.872 56.400 -0.029 0.000 0.836 223 E CB 0.923 30.641 29.700 0.029 0.000 1.068 223 E HN 0.673 nan 8.360 nan 0.000 0.401 224 T N 1.723 116.216 114.554 -0.102 0.000 2.885 224 T HA 0.375 4.725 4.350 0.000 0.000 0.285 224 T C -0.586 173.938 174.700 -0.292 0.000 1.019 224 T CA -0.889 61.146 62.100 -0.107 0.000 1.010 224 T CB 1.276 70.110 68.868 -0.056 0.000 1.022 224 T HN 0.475 nan 8.240 nan 0.000 0.466 225 H N 2.819 121.855 119.070 -0.058 0.000 2.970 225 H HA 0.351 4.908 4.556 0.000 0.000 0.315 225 H C -0.726 174.634 175.328 0.053 0.000 0.992 225 H CA -0.723 55.325 56.048 0.000 0.000 1.363 225 H CB 1.357 31.072 29.762 -0.079 0.000 1.532 225 H HN 0.346 nan 8.280 nan 0.000 0.514 226 L N 1.582 122.888 121.223 0.138 0.000 2.399 226 L HA 0.139 4.479 4.340 0.000 0.000 0.265 226 L C 1.110 178.066 176.870 0.143 0.000 1.089 226 L CA 0.105 55.010 54.840 0.108 0.000 0.802 226 L CB 0.424 42.510 42.059 0.046 0.000 1.180 226 L HN 0.780 nan 8.230 nan 0.000 0.454 227 E N 0.850 121.107 120.200 0.096 0.000 2.297 227 E HA -0.299 4.052 4.350 0.000 0.000 0.228 227 E C -1.035 175.640 176.600 0.124 0.000 1.213 227 E CA 0.440 56.882 56.400 0.071 0.000 0.712 227 E CB -0.977 28.741 29.700 0.029 0.000 1.202 227 E HN 0.308 nan 8.360 nan 0.000 0.376 228 F N 0.690 120.652 119.950 0.019 0.000 2.366 228 F HA 0.524 5.051 4.527 0.000 0.000 0.366 228 F C -0.016 175.793 175.800 0.016 0.000 1.096 228 F CA -0.562 57.452 58.000 0.024 0.000 1.060 228 F CB 0.754 39.780 39.000 0.043 0.000 1.282 228 F HN 0.039 nan 8.300 nan 0.000 0.450 229 A N 5.826 128.630 122.820 -0.027 0.000 2.269 229 A HA 0.596 4.916 4.320 0.000 0.000 0.302 229 A C -0.801 176.809 177.584 0.044 0.000 1.266 229 A CA -0.565 51.499 52.037 0.045 0.000 0.894 229 A CB 0.245 19.236 19.000 -0.016 0.000 1.147 229 A HN 0.504 nan 8.150 nan 0.000 0.537 230 V N 3.136 123.187 119.914 0.227 0.000 2.470 230 V HA 0.270 4.390 4.120 0.000 0.000 0.276 230 V C 1.338 177.540 176.094 0.180 0.000 1.040 230 V CA 0.783 63.234 62.300 0.253 0.000 1.008 230 V CB 0.542 32.545 31.823 0.300 0.000 0.990 230 V HN 1.061 nan 8.190 nan 0.000 0.477 231 A N 4.211 127.098 122.820 0.113 0.000 1.997 231 A HA 0.742 5.062 4.320 0.000 0.000 0.212 231 A C 0.984 178.638 177.584 0.117 0.000 1.178 231 A CA 0.917 53.004 52.037 0.083 0.000 0.698 231 A CB 0.176 19.192 19.000 0.027 0.000 0.842 231 A HN 1.256 nan 8.150 nan 0.000 0.458 232 A N -1.674 121.232 122.820 0.144 0.000 2.586 232 A HA 0.599 4.919 4.320 0.000 0.000 0.291 232 A C -2.049 175.630 177.584 0.158 0.000 1.062 232 A CA -0.469 51.660 52.037 0.153 0.000 0.666 232 A CB 0.423 19.481 19.000 0.098 0.000 1.281 232 A HN 0.249 nan 8.150 nan 0.000 0.421 233 L N 1.100 122.422 121.223 0.165 0.000 2.329 233 L HA 0.717 5.057 4.340 0.000 0.000 0.279 233 L C 0.117 177.045 176.870 0.097 0.000 1.014 233 L CA 0.110 55.022 54.840 0.119 0.000 0.814 233 L CB 1.479 43.615 42.059 0.128 0.000 1.257 233 L HN 0.853 nan 8.230 nan 0.000 0.424 234 E N 2.002 122.248 120.200 0.076 0.000 2.369 234 E HA 0.536 4.886 4.350 0.000 0.000 0.270 234 E C -1.013 175.618 176.600 0.052 0.000 0.909 234 E CA -1.054 55.383 56.400 0.061 0.000 0.775 234 E CB 2.270 32.001 29.700 0.052 0.000 1.270 234 E HN 0.357 nan 8.360 nan 0.000 0.445 235 R N 1.772 122.297 120.500 0.041 0.000 2.234 235 R HA 0.198 4.539 4.340 0.000 0.000 0.324 235 R C -0.605 175.708 176.300 0.021 0.000 1.054 235 R CA -0.384 55.735 56.100 0.032 0.000 0.912 235 R CB 0.203 30.520 30.300 0.028 0.000 1.030 235 R HN 0.527 nan 8.270 nan 0.000 0.455 236 D N 1.280 121.688 120.400 0.013 0.000 2.494 236 D HA 0.360 5.000 4.640 0.000 0.000 0.259 236 D C -0.518 175.778 176.300 -0.007 0.000 1.109 236 D CA -0.965 53.034 54.000 -0.001 0.000 1.040 236 D CB 0.631 41.423 40.800 -0.013 0.000 1.175 236 D HN 0.445 nan 8.370 nan 0.000 0.584 237 A N -0.324 122.487 122.820 -0.014 0.000 2.513 237 A HA 0.425 4.745 4.320 0.000 0.000 0.274 237 A C 0.881 178.452 177.584 -0.023 0.000 1.115 237 A CA 0.725 52.752 52.037 -0.017 0.000 0.792 237 A CB -1.855 17.133 19.000 -0.020 0.000 1.053 237 A HN 1.348 nan 8.150 nan 0.000 0.515 238 Q N 0.721 120.511 119.800 -0.017 0.000 2.430 238 Q HA 0.324 4.664 4.340 0.000 0.000 0.365 238 Q C 1.364 177.350 176.000 -0.023 0.000 1.399 238 Q CA 1.670 57.462 55.803 -0.018 0.000 1.050 238 Q CB -2.224 26.500 28.738 -0.023 0.000 1.201 238 Q HN 3.302 nan 8.270 nan 0.000 0.320 239 G N -1.451 107.344 108.800 -0.010 0.000 2.369 239 G HA2 0.687 4.647 3.960 0.000 0.000 0.295 239 G HA3 0.687 4.647 3.960 0.000 0.000 0.295 239 G C -0.155 174.758 174.900 0.022 0.000 1.298 239 G CA 0.542 45.641 45.100 -0.001 0.000 0.940 239 G HN 2.290 nan 8.290 nan 0.000 0.536 240 T N -1.278 113.311 114.554 0.058 0.000 2.900 240 T HA 0.768 5.118 4.350 0.000 0.000 0.295 240 T C -0.523 174.265 174.700 0.147 0.000 1.044 240 T CA 0.288 62.438 62.100 0.082 0.000 0.995 240 T CB 2.012 70.922 68.868 0.070 0.000 1.072 240 T HN 0.924 nan 8.240 nan 0.000 0.473 241 T N 4.161 118.784 114.554 0.115 0.000 2.856 241 T HA 0.628 4.978 4.350 0.000 0.000 0.283 241 T C -0.824 173.953 174.700 0.129 0.000 1.008 241 T CA -0.516 61.665 62.100 0.134 0.000 0.997 241 T CB 1.042 69.950 68.868 0.067 0.000 0.992 241 T HN 0.451 nan 8.240 nan 0.000 0.454 242 L N 3.186 124.506 121.223 0.162 0.000 2.292 242 L HA 0.546 4.886 4.340 0.000 0.000 0.284 242 L C -0.415 176.567 176.870 0.187 0.000 1.065 242 L CA -0.292 54.622 54.840 0.123 0.000 0.806 242 L CB 1.426 43.511 42.059 0.042 0.000 1.175 242 L HN 0.386 nan 8.230 nan 0.000 0.431 243 V N 3.453 123.466 119.914 0.165 0.000 2.407 243 V HA 0.731 4.852 4.120 0.000 0.000 0.291 243 V C 0.426 176.562 176.094 0.068 0.000 1.018 243 V CA -0.786 61.582 62.300 0.113 0.000 0.842 243 V CB 1.218 33.083 31.823 0.070 0.000 0.996 243 V HN 0.908 nan 8.190 nan 0.000 0.426 244 A N 3.363 126.134 122.820 -0.082 0.000 2.249 244 A HA 0.450 4.770 4.320 0.000 0.000 0.281 244 A C 1.173 178.635 177.584 -0.203 0.000 1.127 244 A CA -0.029 51.791 52.037 -0.361 0.000 0.833 244 A CB 0.284 18.686 19.000 -0.996 0.000 1.140 244 A HN 0.784 nan 8.150 nan 0.000 0.502 245 Q N -0.115 119.551 119.800 -0.223 0.000 2.045 245 Q HA -0.213 4.128 4.340 0.000 0.000 0.206 245 Q C 1.298 177.229 176.000 -0.114 0.000 0.991 245 Q CA 2.811 58.537 55.803 -0.128 0.000 0.851 245 Q CB -0.279 28.388 28.738 -0.119 0.000 0.911 245 Q HN 0.913 nan 8.270 nan 0.000 0.418 246 D N -2.601 117.709 120.400 -0.151 0.000 2.348 246 D HA 0.056 4.697 4.640 0.000 0.000 0.216 246 D C 1.031 177.281 176.300 -0.082 0.000 0.970 246 D CA 0.973 54.911 54.000 -0.105 0.000 0.889 246 D CB -0.124 40.614 40.800 -0.105 0.000 0.912 246 D HN 0.413 nan 8.370 nan 0.000 0.524 247 G N -0.958 107.786 108.800 -0.094 0.000 2.184 247 G HA2 -0.231 3.729 3.960 0.000 0.000 0.206 247 G HA3 -0.231 3.729 3.960 0.000 0.000 0.206 247 G C 0.359 175.235 174.900 -0.041 0.000 0.995 247 G CA 0.010 45.079 45.100 -0.052 0.000 0.651 247 G HN 0.402 nan 8.290 nan 0.000 0.511 248 T N 2.374 116.885 114.554 -0.073 0.000 2.908 248 T HA 0.419 4.769 4.350 0.000 0.000 0.301 248 T C 0.726 175.456 174.700 0.050 0.000 1.019 248 T CA 0.385 62.473 62.100 -0.020 0.000 1.152 248 T CB 0.694 69.537 68.868 -0.042 0.000 0.966 248 T HN 0.463 nan 8.240 nan 0.000 0.540 249 R N 1.800 122.341 120.500 0.068 0.000 2.604 249 R HA 0.685 5.025 4.340 0.000 0.000 0.287 249 R C -0.900 175.451 176.300 0.086 0.000 0.970 249 R CA -0.985 55.165 56.100 0.084 0.000 0.946 249 R CB 1.089 31.414 30.300 0.041 0.000 1.127 249 R HN 0.271 nan 8.270 nan 0.000 0.473 253 F N 1.284 121.202 119.950 -0.054 0.000 2.399 253 F HA 0.388 4.915 4.527 0.000 0.000 0.334 253 F C 1.220 176.987 175.800 -0.056 0.000 1.097 253 F CA -0.940 57.023 58.000 -0.062 0.000 1.076 253 F CB 1.811 40.761 39.000 -0.082 0.000 1.162 253 F HN 0.296 nan 8.300 nan 0.000 0.495 254 D N -1.066 119.409 120.400 0.124 0.000 2.350 254 D HA 0.066 4.707 4.640 0.000 0.000 0.213 254 D C 0.162 176.483 176.300 0.035 0.000 1.031 254 D CA 0.248 54.276 54.000 0.046 0.000 0.861 254 D CB 0.441 41.241 40.800 -0.001 0.000 0.926 254 D HN 0.231 nan 8.370 nan 0.000 0.520 255 S N -0.354 115.381 115.700 0.058 0.000 2.603 255 S HA 0.462 4.932 4.470 0.000 0.000 0.274 255 S C -1.788 172.766 174.600 -0.076 0.000 1.168 255 S CA -0.806 57.393 58.200 -0.002 0.000 0.963 255 S CB 1.572 64.764 63.200 -0.014 0.000 1.078 255 S HN 0.085 nan 8.310 nan 0.000 0.477 256 V N 6.964 126.795 119.914 -0.138 0.000 2.448 256 V HA 0.688 4.809 4.120 0.000 0.000 0.295 256 V C -1.116 174.801 176.094 -0.295 0.000 1.025 256 V CA -0.697 61.414 62.300 -0.315 0.000 0.859 256 V CB 1.167 32.755 31.823 -0.391 0.000 0.988 256 V HN 0.868 nan 8.190 nan 0.000 0.431 257 I N 6.765 127.152 120.570 -0.306 0.000 2.362 257 I HA 0.376 4.546 4.170 0.000 0.000 0.289 257 I C -0.759 175.234 176.117 -0.207 0.000 0.994 257 I CA -0.360 60.838 61.300 -0.169 0.000 1.158 257 I CB 1.487 39.445 38.000 -0.070 0.000 1.315 257 I HN 0.630 nan 8.210 nan 0.000 0.451 258 W N 5.761 127.057 121.300 -0.007 0.000 2.356 258 W HA 0.463 5.123 4.660 0.000 0.000 0.311 258 W C 0.446 176.971 176.519 0.010 0.000 1.328 258 W CA -0.349 56.996 57.345 0.001 0.000 1.251 258 W CB 0.889 30.360 29.460 0.018 0.000 1.280 258 W HN 0.540 nan 8.180 nan 0.000 0.524 259 A N 3.531 126.495 122.820 0.240 0.000 3.308 259 A HA 0.378 4.698 4.320 0.000 0.000 0.275 259 A C 0.066 177.751 177.584 0.167 0.000 0.950 259 A CA -0.411 51.721 52.037 0.159 0.000 0.987 259 A CB -0.223 18.821 19.000 0.073 0.000 1.146 259 A HN 0.722 nan 8.150 nan 0.000 0.488 260 V N -2.233 117.802 119.914 0.201 0.000 3.043 260 V HA 0.662 4.782 4.120 0.000 0.000 0.357 260 V C 0.529 176.691 176.094 0.114 0.000 1.372 260 V CA 0.198 62.599 62.300 0.169 0.000 1.214 260 V CB -0.845 31.103 31.823 0.209 0.000 1.224 260 V HN 1.865 nan 8.190 nan 0.000 0.507 261 G N 1.210 110.076 108.800 0.110 0.000 2.555 261 G HA2 0.050 4.010 3.960 0.000 0.000 0.686 261 G HA3 0.050 4.010 3.960 0.000 0.000 0.686 261 G C -0.676 174.266 174.900 0.069 0.000 1.275 261 G CA -0.546 44.605 45.100 0.086 0.000 0.871 261 G HN 1.030 nan 8.290 nan 0.000 0.603 262 R N -0.358 120.175 120.500 0.055 0.000 2.740 262 R HA 0.871 5.211 4.340 0.000 0.000 0.282 262 R C -0.071 176.248 176.300 0.031 0.000 0.969 262 R CA -0.426 55.700 56.100 0.045 0.000 0.918 262 R CB 2.020 32.349 30.300 0.048 0.000 1.175 262 R HN 1.651 nan 8.270 nan 0.000 0.464 263 A N 3.133 125.968 122.820 0.026 0.000 2.312 263 A HA 0.582 4.902 4.320 0.000 0.000 0.326 263 A C -2.317 175.281 177.584 0.025 0.000 1.172 263 A CA -2.120 49.929 52.037 0.020 0.000 0.821 263 A CB 0.584 19.591 19.000 0.011 0.000 1.166 263 A HN 0.604 nan 8.150 nan 0.000 0.493 264 P HA 0.081 nan 4.420 nan 0.000 0.271 264 P C -0.823 176.499 177.300 0.037 0.000 1.216 264 P CA -0.337 62.780 63.100 0.028 0.000 0.771 264 P CB 0.528 32.242 31.700 0.023 0.000 0.864 265 N N 2.187 120.915 118.700 0.045 0.000 2.971 265 N HA 0.055 4.795 4.740 0.000 0.000 0.294 265 N C 0.712 176.268 175.510 0.076 0.000 1.210 265 N CA 0.300 53.389 53.050 0.065 0.000 1.157 265 N CB -0.525 38.005 38.487 0.072 0.000 1.450 265 N HN 0.488 nan 8.380 nan 0.000 0.527 266 T N -3.497 111.098 114.554 0.068 0.000 3.209 266 T HA 0.272 4.622 4.350 0.000 0.000 0.295 266 T C 1.435 176.177 174.700 0.071 0.000 0.977 266 T CA -0.375 61.768 62.100 0.071 0.000 0.922 266 T CB 0.564 69.461 68.868 0.048 0.000 1.152 266 T HN 0.040 nan 8.240 nan 0.000 0.527 267 R N 2.477 123.020 120.500 0.071 0.000 2.062 267 R HA 0.027 4.368 4.340 0.000 0.000 0.231 267 R C 0.653 176.992 176.300 0.065 0.000 1.136 267 R CA 1.796 57.928 56.100 0.053 0.000 0.948 267 R CB -0.020 30.301 30.300 0.035 0.000 0.845 267 R HN 0.560 nan 8.270 nan 0.000 0.430 268 D N -0.043 120.415 120.400 0.097 0.000 2.517 268 D HA 0.028 4.669 4.640 0.000 0.000 0.301 268 D C 0.296 176.732 176.300 0.226 0.000 1.202 268 D CA -0.072 53.999 54.000 0.118 0.000 0.910 268 D CB 0.571 41.407 40.800 0.061 0.000 1.021 268 D HN 0.171 nan 8.370 nan 0.000 0.499 269 L N 0.590 121.923 121.223 0.185 0.000 2.640 269 L HA 0.236 4.576 4.340 0.000 0.000 0.230 269 L C 1.443 178.461 176.870 0.247 0.000 1.123 269 L CA 0.438 55.399 54.840 0.202 0.000 0.900 269 L CB 0.213 42.387 42.059 0.192 0.000 1.146 269 L HN 0.632 nan 8.230 nan 0.000 0.484 270 G N 0.310 109.213 108.800 0.172 0.000 2.198 270 G HA2 -0.308 3.652 3.960 0.000 0.000 0.260 270 G HA3 -0.308 3.652 3.960 0.000 0.000 0.260 270 G C 0.834 175.797 174.900 0.105 0.000 1.025 270 G CA 0.492 45.682 45.100 0.150 0.000 0.769 270 G HN 0.337 nan 8.290 nan 0.000 0.507 271 L N -0.796 120.450 121.223 0.038 0.000 2.079 271 L HA 0.007 4.347 4.340 0.000 0.000 0.210 271 L C 3.116 179.914 176.870 -0.120 0.000 1.081 271 L CA 2.430 57.199 54.840 -0.118 0.000 0.752 271 L CB -0.719 41.284 42.059 -0.093 0.000 0.896 271 L HN 0.531 nan 8.230 nan 0.000 0.433 272 E N 0.423 120.593 120.200 -0.051 0.000 2.152 272 E HA -0.072 4.278 4.350 0.000 0.000 0.192 272 E C 2.290 178.865 176.600 -0.041 0.000 0.983 272 E CA 1.150 57.523 56.400 -0.046 0.000 0.818 272 E CB -0.627 29.060 29.700 -0.023 0.000 0.758 272 E HN 0.570 nan 8.360 nan 0.000 0.467 273 A N 0.792 123.603 122.820 -0.016 0.000 1.902 273 A HA 0.262 4.582 4.320 0.000 0.000 0.217 273 A C 2.706 180.273 177.584 -0.030 0.000 1.181 273 A CA 2.259 54.295 52.037 -0.002 0.000 0.623 273 A CB -0.488 18.537 19.000 0.042 0.000 0.818 273 A HN 1.038 nan 8.150 nan 0.000 0.443 274 A N -1.935 120.839 122.820 -0.076 0.000 2.218 274 A HA 0.415 4.735 4.320 0.000 0.000 0.209 274 A C 1.771 179.255 177.584 -0.166 0.000 1.168 274 A CA 1.172 53.119 52.037 -0.150 0.000 0.804 274 A CB -0.903 17.869 19.000 -0.380 0.000 0.834 274 A HN 1.925 nan 8.150 nan 0.000 0.482 275 G N -0.511 108.208 108.800 -0.135 0.000 2.176 275 G HA2 -0.237 3.723 3.960 0.000 0.000 0.252 275 G HA3 -0.237 3.723 3.960 0.000 0.000 0.252 275 G C 0.027 174.842 174.900 -0.142 0.000 1.024 275 G CA 0.369 45.402 45.100 -0.113 0.000 0.755 275 G HN 0.484 nan 8.290 nan 0.000 0.507 276 I N 0.429 120.879 120.570 -0.201 0.000 2.416 276 I HA 0.278 4.448 4.170 0.000 0.000 0.288 276 I C 0.795 176.831 176.117 -0.135 0.000 1.051 276 I CA -0.687 60.487 61.300 -0.210 0.000 1.375 276 I CB 1.055 38.852 38.000 -0.337 0.000 1.407 276 I HN 0.099 nan 8.210 nan 0.000 0.516 277 E N 5.463 125.601 120.200 -0.103 0.000 2.376 277 E HA 0.262 4.612 4.350 0.000 0.000 0.266 277 E C -1.049 175.514 176.600 -0.062 0.000 1.009 277 E CA 0.257 56.615 56.400 -0.071 0.000 0.902 277 E CB 0.922 30.588 29.700 -0.057 0.000 0.972 277 E HN 0.339 nan 8.360 nan 0.000 0.439 278 V N 4.413 124.299 119.914 -0.047 0.000 2.888 278 V HA 0.303 4.423 4.120 0.000 0.000 0.309 278 V C -1.070 175.010 176.094 -0.024 0.000 1.114 278 V CA -0.640 61.639 62.300 -0.034 0.000 0.940 278 V CB 2.037 33.842 31.823 -0.031 0.000 1.021 278 V HN 0.784 nan 8.190 nan 0.000 0.426 279 Q N 2.106 121.896 119.800 -0.018 0.000 2.317 279 Q HA 0.327 4.668 4.340 0.000 0.000 0.229 279 Q C 1.246 177.240 176.000 -0.010 0.000 0.984 279 Q CA 0.153 55.947 55.803 -0.014 0.000 0.911 279 Q CB 1.341 30.071 28.738 -0.013 0.000 1.217 279 Q HN 0.947 nan 8.270 nan 0.000 0.501 280 S N 0.878 116.573 115.700 -0.008 0.000 2.399 280 S HA -0.181 4.289 4.470 0.000 0.000 0.231 280 S C 1.208 175.806 174.600 -0.004 0.000 1.022 280 S CA 1.474 59.671 58.200 -0.006 0.000 0.983 280 S CB -0.348 62.848 63.200 -0.006 0.000 0.803 280 S HN 0.769 nan 8.310 nan 0.000 0.480 281 N N 1.629 120.327 118.700 -0.003 0.000 2.461 281 N HA 0.165 4.905 4.740 0.000 0.000 0.188 281 N C 1.203 176.714 175.510 0.003 0.000 1.134 281 N CA 0.821 53.872 53.050 0.000 0.000 0.878 281 N CB -0.584 37.904 38.487 0.002 0.000 0.972 281 N HN 0.568 nan 8.380 nan 0.000 0.456 282 G N -0.626 108.176 108.800 0.002 0.000 2.199 282 G HA2 -0.262 3.698 3.960 0.000 0.000 0.254 282 G HA3 -0.262 3.698 3.960 0.000 0.000 0.254 282 G C 0.000 174.904 174.900 0.006 0.000 0.982 282 G CA 0.302 45.406 45.100 0.007 0.000 0.632 282 G HN 0.247 nan 8.290 nan 0.000 0.529 283 M N 0.992 120.593 119.600 0.001 0.000 2.228 283 M HA 0.402 4.882 4.480 0.000 0.000 0.351 283 M C 0.605 176.900 176.300 -0.008 0.000 1.233 283 M CA -0.105 55.193 55.300 -0.003 0.000 1.129 283 M CB 1.086 33.680 32.600 -0.009 0.000 1.604 283 M HN -0.035 nan 8.290 nan 0.000 0.457 284 V N 6.424 126.334 119.914 -0.006 0.000 2.348 284 V HA 0.258 4.378 4.120 0.000 0.000 0.270 284 V C -2.009 174.074 176.094 -0.018 0.000 1.037 284 V CA -1.609 60.683 62.300 -0.013 0.000 0.872 284 V CB 1.059 32.880 31.823 -0.004 0.000 1.002 284 V HN 0.664 nan 8.190 nan 0.000 0.464 285 P HA 0.285 nan 4.420 nan 0.000 0.268 285 P C -0.175 177.112 177.300 -0.021 0.000 1.205 285 P CA 0.192 63.274 63.100 -0.029 0.000 0.771 285 P CB 0.554 32.237 31.700 -0.029 0.000 0.858 286 T N -1.781 112.761 114.554 -0.020 0.000 2.864 286 T HA 0.553 4.903 4.350 0.000 0.000 0.299 286 T C -0.580 174.123 174.700 0.005 0.000 1.166 286 T CA -0.915 61.188 62.100 0.006 0.000 1.007 286 T CB 1.282 70.169 68.868 0.032 0.000 1.219 286 T HN 0.345 nan 8.240 nan 0.000 0.506 287 D N 0.694 121.124 120.400 0.050 0.000 2.440 287 D HA 0.453 5.094 4.640 0.000 0.000 0.269 287 D C 1.656 177.978 176.300 0.037 0.000 1.249 287 D CA -0.303 53.735 54.000 0.065 0.000 1.055 287 D CB -0.043 40.846 40.800 0.149 0.000 1.104 287 D HN 0.736 nan 8.370 nan 0.000 0.561 288 A N -1.322 121.481 122.820 -0.028 0.000 2.178 288 A HA -0.112 4.208 4.320 0.000 0.000 0.218 288 A C 1.031 178.458 177.584 -0.262 0.000 1.157 288 A CA 0.832 52.746 52.037 -0.205 0.000 0.689 288 A CB -0.957 17.807 19.000 -0.395 0.000 0.787 288 A HN 0.556 nan 8.150 nan 0.000 0.465 289 Y N -0.953 119.400 120.300 0.089 0.000 2.636 289 Y HA 0.202 4.752 4.550 0.000 0.000 0.260 289 Y C 0.682 176.657 175.900 0.124 0.000 1.177 289 Y CA -0.142 58.013 58.100 0.092 0.000 1.209 289 Y CB 0.398 38.899 38.460 0.068 0.000 1.166 289 Y HN 0.360 nan 8.280 nan 0.000 0.531 290 Q N -1.834 118.104 119.800 0.230 0.000 2.416 290 Q HA -0.268 4.072 4.340 0.000 0.000 0.235 290 Q C -0.985 175.180 176.000 0.274 0.000 0.773 290 Q CA 0.695 56.629 55.803 0.220 0.000 1.286 290 Q CB -2.537 26.328 28.738 0.212 0.000 1.556 290 Q HN 0.650 nan 8.270 nan 0.000 0.650 291 N N 1.917 120.771 118.700 0.257 0.000 2.475 291 N HA 0.214 4.954 4.740 0.000 0.000 0.267 291 N C 0.809 176.342 175.510 0.038 0.000 1.169 291 N CA 0.768 53.904 53.050 0.142 0.000 0.947 291 N CB 0.799 39.354 38.487 0.114 0.000 1.061 291 N HN 0.313 nan 8.380 nan 0.000 0.466 292 T N -0.849 113.675 114.554 -0.050 0.000 2.753 292 T HA 0.019 4.369 4.350 0.000 0.000 0.309 292 T C 1.339 175.991 174.700 -0.080 0.000 1.043 292 T CA -0.541 61.518 62.100 -0.068 0.000 0.964 292 T CB 0.390 69.191 68.868 -0.112 0.000 1.206 292 T HN 0.603 nan 8.240 nan 0.000 0.528 293 N N -0.517 118.134 118.700 -0.082 0.000 2.494 293 N HA -0.029 4.711 4.740 0.000 0.000 0.182 293 N C 0.030 175.485 175.510 -0.091 0.000 1.076 293 N CA 0.123 53.130 53.050 -0.072 0.000 0.908 293 N CB -0.388 38.061 38.487 -0.063 0.000 0.967 293 N HN 0.385 nan 8.380 nan 0.000 0.449 294 V N 3.427 123.264 119.914 -0.128 0.000 2.350 294 V HA 0.315 4.436 4.120 0.000 0.000 0.276 294 V C -2.189 173.807 176.094 -0.162 0.000 1.028 294 V CA -1.806 60.416 62.300 -0.131 0.000 0.860 294 V CB 1.446 33.179 31.823 -0.151 0.000 0.990 294 V HN 0.073 nan 8.190 nan 0.000 0.453 295 P HA 0.202 nan 4.420 nan 0.000 0.267 295 P C 0.929 178.142 177.300 -0.145 0.000 1.205 295 P CA 1.009 64.035 63.100 -0.124 0.000 0.765 295 P CB 0.936 32.601 31.700 -0.059 0.000 0.828 296 G N 1.301 109.964 108.800 -0.228 0.000 2.176 296 G HA2 -0.173 3.787 3.960 0.000 0.000 0.253 296 G HA3 -0.173 3.787 3.960 0.000 0.000 0.253 296 G C -0.194 174.530 174.900 -0.294 0.000 0.979 296 G CA -0.038 44.976 45.100 -0.143 0.000 0.641 296 G HN 0.558 nan 8.290 nan 0.000 0.530 297 V N 0.573 120.128 119.914 -0.599 0.000 2.540 297 V HA 0.802 4.922 4.120 0.000 0.000 0.302 297 V C -0.453 175.252 176.094 -0.649 0.000 1.035 297 V CA -0.993 61.061 62.300 -0.410 0.000 0.873 297 V CB 1.455 33.182 31.823 -0.159 0.000 0.992 297 V HN 0.303 nan 8.190 nan 0.000 0.428 298 Y N 1.722 122.093 120.300 0.118 0.000 2.581 298 Y HA 0.859 5.409 4.550 0.000 0.000 0.345 298 Y C 0.129 176.085 175.900 0.093 0.000 1.036 298 Y CA -0.974 57.183 58.100 0.096 0.000 1.042 298 Y CB 2.305 40.827 38.460 0.102 0.000 1.289 298 Y HN 0.734 nan 8.280 nan 0.000 0.471 299 A N 2.310 125.264 122.820 0.222 0.000 2.393 299 A HA 0.923 5.243 4.320 0.000 0.000 0.306 299 A C -1.655 176.010 177.584 0.135 0.000 1.050 299 A CA -0.649 51.478 52.037 0.150 0.000 0.724 299 A CB 0.978 20.031 19.000 0.088 0.000 1.248 299 A HN 0.727 nan 8.150 nan 0.000 0.424 300 L N -0.100 121.191 121.223 0.113 0.000 2.403 300 L HA 1.049 5.389 4.340 0.000 0.000 0.253 300 L C 0.596 177.511 176.870 0.076 0.000 1.045 300 L CA -0.017 54.884 54.840 0.102 0.000 0.845 300 L CB 0.781 42.905 42.059 0.107 0.000 1.447 300 L HN 2.246 nan 8.230 nan 0.000 0.411 301 G N -0.009 108.840 108.800 0.081 0.000 2.542 301 G HA2 -0.229 3.731 3.960 0.000 0.000 0.235 301 G HA3 -0.229 3.731 3.960 0.000 0.000 0.235 301 G C 0.106 175.034 174.900 0.047 0.000 1.286 301 G CA 0.448 45.583 45.100 0.059 0.000 0.904 301 G HN 0.835 nan 8.290 nan 0.000 0.577 302 D N 0.327 120.745 120.400 0.030 0.000 2.158 302 D HA -0.134 4.506 4.640 0.000 0.000 0.197 302 D C 2.504 178.815 176.300 0.018 0.000 0.995 302 D CA 1.822 55.834 54.000 0.020 0.000 0.846 302 D CB -0.308 40.500 40.800 0.014 0.000 0.941 302 D HN 0.791 nan 8.370 nan 0.000 0.456 303 I N -0.832 119.752 120.570 0.024 0.000 3.176 303 I HA -0.090 4.081 4.170 0.000 0.000 0.275 303 I C 1.695 177.819 176.117 0.012 0.000 1.298 303 I CA 1.204 62.517 61.300 0.022 0.000 1.445 303 I CB -0.573 37.446 38.000 0.032 0.000 1.075 303 I HN -0.134 nan 8.210 nan 0.000 0.482 304 T N -2.367 112.192 114.554 0.008 0.000 3.081 304 T HA 0.342 4.692 4.350 0.000 0.000 0.255 304 T C 1.694 176.367 174.700 -0.045 0.000 1.113 304 T CA 0.492 62.582 62.100 -0.016 0.000 1.082 304 T CB 0.065 68.921 68.868 -0.019 0.000 0.939 304 T HN 0.687 nan 8.240 nan 0.000 0.506 305 G N 1.664 110.446 108.800 -0.030 0.000 2.179 305 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 305 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 305 G C 0.420 175.286 174.900 -0.056 0.000 0.977 305 G CA 0.231 45.310 45.100 -0.035 0.000 0.641 305 G HN 0.665 nan 8.290 nan 0.000 0.533 306 R N 0.431 120.878 120.500 -0.088 0.000 2.519 306 R HA 0.402 4.742 4.340 0.000 0.000 0.244 306 R C -0.303 175.997 176.300 -0.001 0.000 1.241 306 R CA -0.400 55.633 56.100 -0.111 0.000 1.120 306 R CB 0.018 30.110 30.300 -0.347 0.000 1.333 306 R HN 0.205 nan 8.270 nan 0.000 0.587 307 D N 1.906 122.347 120.400 0.069 0.000 2.536 307 D HA -0.054 4.586 4.640 0.000 0.000 0.260 307 D C -0.326 176.005 176.300 0.051 0.000 1.270 307 D CA 0.766 54.811 54.000 0.075 0.000 0.934 307 D CB 0.182 41.057 40.800 0.124 0.000 1.129 307 D HN 0.135 nan 8.370 nan 0.000 0.533 308 Q N 2.217 122.014 119.800 -0.004 0.000 2.962 308 Q HA 0.280 4.620 4.340 0.000 0.000 0.251 308 Q C -0.831 175.134 176.000 -0.058 0.000 1.380 308 Q CA 0.306 56.091 55.803 -0.029 0.000 0.926 308 Q CB -0.153 28.553 28.738 -0.053 0.000 1.704 308 Q HN 0.459 nan 8.270 nan 0.000 0.563 309 L N -0.916 120.300 121.223 -0.012 0.000 2.409 309 L HA 0.396 4.736 4.340 0.000 0.000 0.262 309 L C 1.137 178.014 176.870 0.012 0.000 0.992 309 L CA -0.723 54.111 54.840 -0.011 0.000 0.817 309 L CB 1.941 44.004 42.059 0.007 0.000 1.350 309 L HN 0.153 nan 8.230 nan 0.000 0.411 310 T N 0.877 115.440 114.554 0.015 0.000 2.684 310 T HA -0.058 4.292 4.350 0.000 0.000 0.267 310 T C -1.165 173.550 174.700 0.025 0.000 1.036 310 T CA 1.810 63.921 62.100 0.018 0.000 1.148 310 T CB -0.538 68.344 68.868 0.023 0.000 0.863 310 T HN 0.484 nan 8.240 nan 0.000 0.436 311 P HA 0.089 nan 4.420 nan 0.000 0.229 311 P C 1.391 178.694 177.300 0.006 0.000 1.160 311 P CA 0.379 63.494 63.100 0.025 0.000 0.777 311 P CB -0.153 31.564 31.700 0.028 0.000 0.814 312 V N 0.357 120.276 119.914 0.008 0.000 2.379 312 V HA -0.183 3.937 4.120 0.000 0.000 0.245 312 V C 2.544 178.653 176.094 0.024 0.000 1.044 312 V CA 2.081 64.380 62.300 -0.002 0.000 1.036 312 V CB -1.663 30.193 31.823 0.054 0.000 0.664 312 V HN 0.099 nan 8.190 nan 0.000 0.453 313 A N 0.343 123.188 122.820 0.041 0.000 1.858 313 A HA -0.185 4.135 4.320 0.000 0.000 0.216 313 A C 2.186 179.788 177.584 0.031 0.000 1.190 313 A CA 2.054 54.116 52.037 0.043 0.000 0.617 313 A CB -0.575 18.440 19.000 0.025 0.000 0.827 313 A HN 0.484 nan 8.150 nan 0.000 0.443 314 I N -0.214 120.371 120.570 0.024 0.000 2.099 314 I HA -0.322 3.848 4.170 0.000 0.000 0.239 314 I C 3.032 179.167 176.117 0.031 0.000 1.066 314 I CA 1.307 62.627 61.300 0.033 0.000 1.324 314 I CB -0.578 37.451 38.000 0.049 0.000 1.037 314 I HN 0.367 nan 8.210 nan 0.000 0.401 315 A N 0.832 123.657 122.820 0.008 0.000 1.883 315 A HA -0.219 4.101 4.320 0.000 0.000 0.217 315 A C 2.555 180.130 177.584 -0.016 0.000 1.186 315 A CA 2.168 54.197 52.037 -0.014 0.000 0.624 315 A CB -0.977 17.988 19.000 -0.059 0.000 0.822 315 A HN 0.478 nan 8.150 nan 0.000 0.444 316 A N -0.565 122.246 122.820 -0.016 0.000 1.908 316 A HA 0.083 4.403 4.320 0.000 0.000 0.218 316 A C 2.446 180.056 177.584 0.043 0.000 1.181 316 A CA 2.082 54.133 52.037 0.023 0.000 0.627 316 A CB -1.458 17.600 19.000 0.097 0.000 0.818 316 A HN 0.777 nan 8.150 nan 0.000 0.445 317 G N -0.642 108.185 108.800 0.045 0.000 2.421 317 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 317 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 317 G C 1.783 176.720 174.900 0.062 0.000 1.171 317 G CA 0.906 46.036 45.100 0.049 0.000 0.775 317 G HN 0.565 nan 8.290 nan 0.000 0.543 318 R N -0.074 120.467 120.500 0.068 0.000 2.081 318 R HA 0.030 4.371 4.340 0.000 0.000 0.235 318 R C 2.813 179.174 176.300 0.102 0.000 1.131 318 R CA 1.068 57.226 56.100 0.097 0.000 0.960 318 R CB -0.279 30.072 30.300 0.085 0.000 0.856 318 R HN 0.268 nan 8.270 nan 0.000 0.436 319 R N 0.391 120.927 120.500 0.060 0.000 2.092 319 R HA -0.100 4.240 4.340 0.000 0.000 0.231 319 R C 2.280 178.594 176.300 0.023 0.000 1.119 319 R CA 0.840 56.968 56.100 0.046 0.000 0.970 319 R CB -0.382 29.933 30.300 0.025 0.000 0.864 319 R HN 0.099 nan 8.270 nan 0.000 0.440 320 L N 0.856 122.083 121.223 0.006 0.000 2.017 320 L HA -0.107 4.233 4.340 0.000 0.000 0.208 320 L C 2.230 179.012 176.870 -0.147 0.000 1.073 320 L CA 2.008 56.801 54.840 -0.078 0.000 0.745 320 L CB -0.698 41.306 42.059 -0.092 0.000 0.894 320 L HN 0.114 nan 8.230 nan 0.000 0.432 321 A N -0.956 121.867 122.820 0.006 0.000 1.933 321 A HA -0.221 4.099 4.320 0.000 0.000 0.218 321 A C 2.155 179.806 177.584 0.112 0.000 1.175 321 A CA 1.752 53.894 52.037 0.176 0.000 0.628 321 A CB -0.611 18.603 19.000 0.358 0.000 0.814 321 A HN 0.616 nan 8.150 nan 0.000 0.444 322 E N -0.777 119.479 120.200 0.093 0.000 2.051 322 E HA -0.199 4.151 4.350 0.000 0.000 0.192 322 E C 2.330 178.814 176.600 -0.195 0.000 0.991 322 E CA 1.136 57.507 56.400 -0.050 0.000 0.799 322 E CB -0.162 29.573 29.700 0.060 0.000 0.748 322 E HN 0.564 nan 8.360 nan 0.000 0.449 323 R N 0.621 121.024 120.500 -0.163 0.000 2.080 323 R HA -0.139 4.202 4.340 0.000 0.000 0.236 323 R C 2.358 178.445 176.300 -0.355 0.000 1.137 323 R CA 1.280 57.259 56.100 -0.202 0.000 0.943 323 R CB -0.180 30.037 30.300 -0.138 0.000 0.846 323 R HN 0.168 nan 8.270 nan 0.000 0.431 324 L N -1.083 119.781 121.223 -0.599 0.000 2.109 324 L HA -0.069 4.271 4.340 0.000 0.000 0.207 324 L C 1.368 177.652 176.870 -0.977 0.000 1.086 324 L CA 1.182 55.396 54.840 -1.043 0.000 0.760 324 L CB -0.059 40.850 42.059 -1.917 0.000 0.910 324 L HN 0.222 nan 8.230 nan 0.000 0.437 325 F N -2.247 117.522 119.950 -0.303 0.000 2.746 325 F HA 0.132 4.659 4.527 0.000 0.000 0.320 325 F C 1.051 176.536 175.800 -0.526 0.000 1.097 325 F CA -0.237 57.580 58.000 -0.305 0.000 1.195 325 F CB 0.485 39.389 39.000 -0.159 0.000 1.056 325 F HN -0.081 nan 8.300 nan 0.000 0.562 326 D N -0.406 119.688 120.400 -0.510 0.000 2.540 326 D HA 0.193 4.833 4.640 0.000 0.000 0.229 326 D C 1.605 177.731 176.300 -0.290 0.000 1.250 326 D CA 0.700 54.334 54.000 -0.610 0.000 0.817 326 D CB 0.374 40.546 40.800 -1.046 0.000 1.060 326 D HN 0.171 nan 8.370 nan 0.000 0.508 327 G N 1.400 110.068 108.800 -0.219 0.000 2.187 327 G HA2 -0.359 3.601 3.960 0.000 0.000 0.261 327 G HA3 -0.359 3.601 3.960 0.000 0.000 0.261 327 G C 0.384 175.214 174.900 -0.117 0.000 1.000 327 G CA 0.305 45.321 45.100 -0.140 0.000 0.718 327 G HN 0.459 nan 8.290 nan 0.000 0.519 328 Q N 0.735 120.455 119.800 -0.133 0.000 3.027 328 Q HA 0.342 4.682 4.340 0.000 0.000 0.260 328 Q C 1.936 177.892 176.000 -0.072 0.000 1.379 328 Q CA 0.280 56.034 55.803 -0.082 0.000 1.038 328 Q CB 0.222 28.922 28.738 -0.064 0.000 1.578 328 Q HN 0.661 nan 8.270 nan 0.000 0.571 329 S N 0.409 116.063 115.700 -0.078 0.000 2.440 329 S HA -0.153 4.317 4.470 0.000 0.000 0.238 329 S C 1.156 175.705 174.600 -0.086 0.000 1.010 329 S CA 0.941 59.082 58.200 -0.099 0.000 0.972 329 S CB 0.183 63.326 63.200 -0.096 0.000 0.774 329 S HN 0.413 nan 8.310 nan 0.000 0.501 330 E N 0.498 120.696 120.200 -0.003 0.000 2.481 330 E HA 0.258 4.608 4.350 0.000 0.000 0.198 330 E C 0.327 177.060 176.600 0.221 0.000 1.027 330 E CA -0.081 56.384 56.400 0.108 0.000 0.900 330 E CB 0.026 29.778 29.700 0.086 0.000 0.993 330 E HN 0.427 nan 8.360 nan 0.000 0.482 331 R N 2.716 123.298 120.500 0.137 0.000 2.401 331 R HA 0.087 4.427 4.340 0.000 0.000 0.299 331 R C -0.018 176.385 176.300 0.171 0.000 1.064 331 R CA 0.310 56.478 56.100 0.113 0.000 1.000 331 R CB 0.080 30.409 30.300 0.047 0.000 0.973 331 R HN -0.054 nan 8.270 nan 0.000 0.438 332 K N 2.584 123.029 120.400 0.075 0.000 2.575 332 K HA 0.348 4.668 4.320 0.000 0.000 0.279 332 K C -1.654 174.909 176.600 -0.061 0.000 0.969 332 K CA -1.168 55.114 56.287 -0.009 0.000 0.868 332 K CB 0.888 33.246 32.500 -0.238 0.000 1.457 332 K HN 0.273 nan 8.250 nan 0.000 0.426 333 L N 1.685 122.849 121.223 -0.099 0.000 2.349 333 L HA 0.309 4.649 4.340 0.000 0.000 0.275 333 L C -0.646 176.078 176.870 -0.244 0.000 1.115 333 L CA 0.379 55.078 54.840 -0.234 0.000 0.820 333 L CB 0.973 42.759 42.059 -0.456 0.000 1.135 333 L HN 0.740 nan 8.230 nan 0.000 0.445 334 D N 2.968 123.239 120.400 -0.215 0.000 2.277 334 D HA 0.070 4.711 4.640 0.000 0.000 0.249 334 D C -0.171 176.007 176.300 -0.204 0.000 1.134 334 D CA 0.245 54.171 54.000 -0.124 0.000 0.863 334 D CB 0.577 41.337 40.800 -0.066 0.000 1.143 334 D HN 0.515 nan 8.370 nan 0.000 0.458 335 Y N 1.274 121.553 120.300 -0.036 0.000 2.468 335 Y HA 0.133 4.684 4.550 0.000 0.000 0.268 335 Y C 0.229 176.116 175.900 -0.022 0.000 1.177 335 Y CA -0.397 57.687 58.100 -0.027 0.000 1.265 335 Y CB 0.449 38.890 38.460 -0.032 0.000 1.103 335 Y HN 0.239 nan 8.280 nan 0.000 0.522 336 D N 0.783 121.230 120.400 0.078 0.000 2.255 336 D HA 0.062 4.702 4.640 0.000 0.000 0.249 336 D C 0.062 176.373 176.300 0.019 0.000 1.078 336 D CA 0.059 54.084 54.000 0.043 0.000 0.896 336 D CB 0.469 41.286 40.800 0.028 0.000 1.194 336 D HN 0.151 nan 8.370 nan 0.000 0.429 337 N N 1.098 119.807 118.700 0.015 0.000 2.738 337 N HA -0.204 4.536 4.740 0.000 0.000 0.249 337 N C -0.532 174.981 175.510 0.005 0.000 1.047 337 N CA 0.391 53.444 53.050 0.006 0.000 0.707 337 N CB -1.330 37.164 38.487 0.012 0.000 0.937 337 N HN 0.507 nan 8.380 nan 0.000 0.545 338 I N 2.015 122.591 120.570 0.009 0.000 2.379 338 I HA 0.143 4.313 4.170 0.000 0.000 0.290 338 I C -1.381 174.746 176.117 0.017 0.000 1.063 338 I CA -1.335 59.971 61.300 0.009 0.000 1.351 338 I CB 0.719 38.730 38.000 0.020 0.000 1.410 338 I HN -0.061 nan 8.210 nan 0.000 0.505 339 P HA 0.142 nan 4.420 nan 0.000 0.274 339 P C -0.473 176.856 177.300 0.050 0.000 1.231 339 P CA -0.209 62.907 63.100 0.027 0.000 0.790 339 P CB 1.515 33.234 31.700 0.031 0.000 0.951 340 T N 0.098 114.690 114.554 0.064 0.000 2.894 340 T HA 0.440 4.790 4.350 0.000 0.000 0.309 340 T C -1.495 173.228 174.700 0.039 0.000 1.208 340 T CA -0.486 61.683 62.100 0.114 0.000 1.016 340 T CB 1.091 70.117 68.868 0.262 0.000 1.192 340 T HN 0.088 nan 8.240 nan 0.000 0.491 341 V N 3.615 123.491 119.914 -0.064 0.000 2.555 341 V HA 0.617 4.737 4.120 0.000 0.000 0.302 341 V C -0.323 175.506 176.094 -0.441 0.000 1.038 341 V CA -0.705 61.363 62.300 -0.388 0.000 0.887 341 V CB 1.988 33.319 31.823 -0.820 0.000 0.991 341 V HN 0.777 nan 8.190 nan 0.000 0.434 342 V N 4.996 124.606 119.914 -0.507 0.000 2.350 342 V HA 0.369 4.489 4.120 0.000 0.000 0.276 342 V C -0.194 175.595 176.094 -0.507 0.000 1.028 342 V CA -0.264 61.753 62.300 -0.471 0.000 0.860 342 V CB 1.136 32.560 31.823 -0.664 0.000 0.990 342 V HN 0.757 nan 8.190 nan 0.000 0.453 343 F N 3.982 123.807 119.950 -0.209 0.000 2.733 343 F HA 0.471 4.998 4.527 0.000 0.000 0.344 343 F C 1.301 177.093 175.800 -0.013 0.000 1.179 343 F CA -0.074 57.709 58.000 -0.360 0.000 1.316 343 F CB -0.173 38.383 39.000 -0.740 0.000 1.577 343 F HN 0.605 nan 8.300 nan 0.000 0.591 344 A N -0.163 122.720 122.820 0.104 0.000 2.261 344 A HA 0.560 4.881 4.320 0.000 0.000 0.275 344 A C 0.198 177.996 177.584 0.357 0.000 1.246 344 A CA 0.452 52.585 52.037 0.159 0.000 0.810 344 A CB -0.327 18.673 19.000 0.000 0.000 1.168 344 A HN 0.672 nan 8.150 nan 0.000 0.506 345 H N 0.074 119.257 119.070 0.188 0.000 2.991 345 H HA 0.643 5.199 4.556 0.000 0.000 0.304 345 H C -2.986 172.388 175.328 0.076 0.000 1.040 345 H CA -1.537 54.602 56.048 0.152 0.000 1.410 345 H CB 0.339 30.106 29.762 0.009 0.000 1.529 345 H HN 0.727 nan 8.280 nan 0.000 0.509 346 P HA 0.269 nan 4.420 nan 0.000 0.274 346 P C -2.895 174.507 177.300 0.171 0.000 1.237 346 P CA -1.476 61.740 63.100 0.192 0.000 0.793 346 P CB 1.845 33.646 31.700 0.169 0.000 0.977 347 P HA 0.284 nan 4.420 nan 0.000 0.277 347 P C -0.738 176.519 177.300 -0.072 0.000 1.271 347 P CA -0.236 62.894 63.100 0.050 0.000 0.795 347 P CB 0.559 32.243 31.700 -0.027 0.000 1.101 348 L N -3.027 118.079 121.223 -0.196 0.000 2.327 348 L HA 0.948 5.288 4.340 0.000 0.000 0.258 348 L C -0.312 176.442 176.870 -0.193 0.000 1.024 348 L CA -0.824 53.914 54.840 -0.169 0.000 0.825 348 L CB 1.630 43.581 42.059 -0.179 0.000 1.386 348 L HN 0.338 nan 8.230 nan 0.000 0.417 349 S N -0.306 115.345 115.700 -0.082 0.000 2.537 349 S HA 0.865 5.335 4.470 0.000 0.000 0.270 349 S C -1.670 172.946 174.600 0.026 0.000 1.142 349 S CA -0.616 57.555 58.200 -0.047 0.000 0.870 349 S CB 1.423 64.576 63.200 -0.078 0.000 1.112 349 S HN 1.023 nan 8.310 nan 0.000 0.466 350 K N 0.363 120.784 120.400 0.036 0.000 2.551 350 K HA 0.825 5.145 4.320 0.000 0.000 0.269 350 K C -1.854 174.695 176.600 -0.085 0.000 0.949 350 K CA -0.855 55.398 56.287 -0.058 0.000 0.849 350 K CB 1.611 34.128 32.500 0.028 0.000 1.411 350 K HN 0.476 nan 8.250 nan 0.000 0.432 351 V N 1.444 121.255 119.914 -0.171 0.000 2.686 351 V HA 0.841 4.962 4.120 0.000 0.000 0.306 351 V C 0.098 176.103 176.094 -0.149 0.000 1.065 351 V CA 0.969 63.209 62.300 -0.099 0.000 0.894 351 V CB 0.768 32.581 31.823 -0.018 0.000 1.004 351 V HN 1.425 nan 8.190 nan 0.000 0.424 352 G N 5.236 113.986 108.800 -0.083 0.000 2.527 352 G HA2 -0.133 3.827 3.960 0.000 0.000 0.227 352 G HA3 -0.133 3.827 3.960 0.000 0.000 0.227 352 G C -0.813 174.067 174.900 -0.033 0.000 1.291 352 G CA -0.206 44.861 45.100 -0.055 0.000 0.904 352 G HN 1.185 nan 8.290 nan 0.000 0.577 353 L N 1.356 122.591 121.223 0.020 0.000 2.312 353 L HA 0.546 4.886 4.340 0.000 0.000 0.281 353 L C 1.515 178.513 176.870 0.214 0.000 1.070 353 L CA -0.153 54.725 54.840 0.063 0.000 0.805 353 L CB 1.508 43.583 42.059 0.028 0.000 1.174 353 L HN 0.990 nan 8.230 nan 0.000 0.434 354 S N 0.738 116.511 115.700 0.121 0.000 2.596 354 S HA 0.015 4.485 4.470 0.000 0.000 0.260 354 S C 0.924 175.474 174.600 -0.083 0.000 1.336 354 S CA -0.303 57.840 58.200 -0.095 0.000 0.993 354 S CB 1.219 64.306 63.200 -0.188 0.000 0.923 354 S HN 0.785 nan 8.310 nan 0.000 0.567 355 E N 1.148 121.256 120.200 -0.153 0.000 2.038 355 E HA -0.103 4.248 4.350 0.000 0.000 0.195 355 E C -0.868 175.686 176.600 -0.076 0.000 1.000 355 E CA 1.468 57.814 56.400 -0.089 0.000 0.803 355 E CB -1.200 28.442 29.700 -0.097 0.000 0.750 355 E HN 0.600 nan 8.360 nan 0.000 0.448 356 P HA -0.148 nan 4.420 nan 0.000 0.216 356 P C 0.611 177.866 177.300 -0.076 0.000 1.150 356 P CA 1.428 64.477 63.100 -0.086 0.000 0.837 356 P CB 0.004 31.633 31.700 -0.118 0.000 0.786 357 E N -0.331 119.818 120.200 -0.084 0.000 2.031 357 E HA -0.163 4.187 4.350 0.000 0.000 0.193 357 E C 2.149 178.726 176.600 -0.038 0.000 0.994 357 E CA 1.346 57.708 56.400 -0.063 0.000 0.800 357 E CB -0.666 28.996 29.700 -0.064 0.000 0.752 357 E HN 0.111 nan 8.360 nan 0.000 0.447 358 A N 0.997 123.801 122.820 -0.027 0.000 2.019 358 A HA -0.190 4.130 4.320 0.000 0.000 0.219 358 A C 2.074 179.647 177.584 -0.018 0.000 1.164 358 A CA 1.502 53.531 52.037 -0.014 0.000 0.644 358 A CB -0.322 18.677 19.000 -0.001 0.000 0.805 358 A HN -0.011 nan 8.150 nan 0.000 0.449 359 R N -0.085 120.400 120.500 -0.026 0.000 2.119 359 R HA -0.053 4.287 4.340 0.000 0.000 0.222 359 R C 1.987 178.274 176.300 -0.022 0.000 1.088 359 R CA 1.608 57.693 56.100 -0.025 0.000 0.984 359 R CB -0.307 29.975 30.300 -0.030 0.000 0.884 359 R HN 0.592 nan 8.270 nan 0.000 0.447 360 E N 0.314 120.499 120.200 -0.025 0.000 2.028 360 E HA -0.105 4.245 4.350 0.000 0.000 0.191 360 E C 1.657 178.248 176.600 -0.016 0.000 0.988 360 E CA 1.585 57.972 56.400 -0.021 0.000 0.799 360 E CB -0.004 29.680 29.700 -0.027 0.000 0.755 360 E HN 0.225 nan 8.360 nan 0.000 0.447 361 R N -0.506 119.984 120.500 -0.017 0.000 2.119 361 R HA 0.093 4.434 4.340 0.000 0.000 0.222 361 R C 0.207 176.502 176.300 -0.009 0.000 1.088 361 R CA 0.319 56.411 56.100 -0.012 0.000 0.984 361 R CB 0.105 30.398 30.300 -0.012 0.000 0.884 361 R HN 0.177 nan 8.270 nan 0.000 0.447 362 L N -1.182 120.036 121.223 -0.009 0.000 2.298 362 L HA 0.455 4.795 4.340 0.000 0.000 0.268 362 L C 1.164 178.029 176.870 -0.009 0.000 1.010 362 L CA -0.469 54.366 54.840 -0.007 0.000 0.812 362 L CB 0.401 42.456 42.059 -0.006 0.000 1.331 362 L HN 0.051 nan 8.230 nan 0.000 0.450 363 G N -0.843 107.952 108.800 -0.008 0.000 2.504 363 G HA2 0.025 3.985 3.960 0.000 0.000 0.257 363 G HA3 0.025 3.985 3.960 0.000 0.000 0.257 363 G C -0.326 174.567 174.900 -0.011 0.000 1.451 363 G CA -0.130 44.965 45.100 -0.009 0.000 1.059 363 G HN 0.613 nan 8.290 nan 0.000 0.550 364 D N 0.342 120.735 120.400 -0.012 0.000 2.745 364 D HA 0.079 4.719 4.640 0.000 0.000 0.229 364 D C 1.324 177.615 176.300 -0.014 0.000 1.088 364 D CA -0.081 53.910 54.000 -0.014 0.000 1.054 364 D CB -0.290 40.502 40.800 -0.014 0.000 1.132 364 D HN 0.197 nan 8.370 nan 0.000 0.464 365 V N -0.660 119.247 119.914 -0.013 0.000 3.159 365 V HA 0.348 4.468 4.120 0.000 0.000 0.333 365 V C -0.060 176.027 176.094 -0.012 0.000 1.424 365 V CA -0.595 61.699 62.300 -0.010 0.000 1.125 365 V CB 0.014 31.834 31.823 -0.006 0.000 1.075 365 V HN -0.028 nan 8.190 nan 0.000 0.482 366 L N 1.945 123.157 121.223 -0.018 0.000 2.276 366 L HA 0.668 5.009 4.340 0.000 0.000 0.286 366 L C 0.408 177.256 176.870 -0.038 0.000 1.061 366 L CA 0.667 55.494 54.840 -0.021 0.000 0.807 366 L CB 1.344 43.389 42.059 -0.023 0.000 1.177 366 L HN 0.267 nan 8.230 nan 0.000 0.429 367 T N 3.447 117.983 114.554 -0.030 0.000 2.772 367 T HA 0.598 4.948 4.350 0.000 0.000 0.288 367 T C -0.401 174.240 174.700 -0.099 0.000 0.994 367 T CA -0.438 61.609 62.100 -0.088 0.000 0.951 367 T CB 1.109 69.954 68.868 -0.037 0.000 0.933 367 T HN 0.191 nan 8.240 nan 0.000 0.447 368 V N 4.593 124.377 119.914 -0.217 0.000 2.409 368 V HA 0.476 4.596 4.120 0.000 0.000 0.291 368 V C -1.138 174.808 176.094 -0.247 0.000 1.020 368 V CA -1.002 61.226 62.300 -0.120 0.000 0.848 368 V CB 0.852 32.633 31.823 -0.069 0.000 0.990 368 V HN 0.815 nan 8.190 nan 0.000 0.430 369 Y N 3.203 123.496 120.300 -0.011 0.000 2.377 369 Y HA 0.708 5.258 4.550 0.000 0.000 0.339 369 Y C 0.402 176.311 175.900 0.015 0.000 1.011 369 Y CA -0.599 57.502 58.100 0.001 0.000 1.093 369 Y CB 1.873 40.332 38.460 -0.002 0.000 1.201 369 Y HN 0.774 nan 8.280 nan 0.000 0.455 370 E N 0.464 120.760 120.200 0.161 0.000 2.430 370 E HA 0.714 5.064 4.350 0.000 0.000 0.279 370 E C -1.741 174.934 176.600 0.125 0.000 1.003 370 E CA -0.984 55.489 56.400 0.121 0.000 0.801 370 E CB 2.695 32.436 29.700 0.069 0.000 1.313 370 E HN 0.519 nan 8.360 nan 0.000 0.459 371 T N 0.109 114.746 114.554 0.139 0.000 2.885 371 T HA 0.505 4.855 4.350 0.000 0.000 0.322 371 T C -1.649 173.175 174.700 0.206 0.000 1.387 371 T CA -0.427 61.778 62.100 0.174 0.000 1.041 371 T CB 1.863 70.852 68.868 0.203 0.000 1.287 371 T HN 0.423 nan 8.240 nan 0.000 0.491 372 S N 1.968 117.802 115.700 0.223 0.000 2.536 372 S HA 0.965 5.435 4.470 0.000 0.000 0.287 372 S C -1.540 173.249 174.600 0.314 0.000 1.101 372 S CA -0.663 57.638 58.200 0.167 0.000 0.950 372 S CB 1.034 64.276 63.200 0.071 0.000 1.056 372 S HN 0.748 nan 8.310 nan 0.000 0.481 373 F N -1.535 118.448 119.950 0.055 0.000 2.744 373 F HA 0.578 5.105 4.527 0.000 0.000 0.311 373 F C -0.995 174.854 175.800 0.081 0.000 1.144 373 F CA -0.920 57.118 58.000 0.063 0.000 0.938 373 F CB 0.506 39.546 39.000 0.067 0.000 1.292 373 F HN 0.306 nan 8.300 nan 0.000 0.444 374 T N 3.939 118.611 114.554 0.197 0.000 2.743 374 T HA 0.474 4.824 4.350 0.000 0.000 0.293 374 T C -2.492 172.404 174.700 0.327 0.000 0.945 374 T CA -0.968 61.223 62.100 0.152 0.000 1.030 374 T CB 0.831 69.786 68.868 0.145 0.000 0.912 374 T HN 0.463 nan 8.240 nan 0.000 0.483 375 P HA 0.140 nan 4.420 nan 0.000 0.272 375 P C 0.935 178.390 177.300 0.259 0.000 1.230 375 P CA -0.545 62.777 63.100 0.370 0.000 0.788 375 P CB 0.768 32.620 31.700 0.252 0.000 0.949 376 M N 0.887 120.605 119.600 0.197 0.000 2.346 376 M HA -0.199 4.282 4.480 0.000 0.000 0.263 376 M C 2.023 178.390 176.300 0.112 0.000 1.064 376 M CA 1.473 56.858 55.300 0.142 0.000 1.083 376 M CB -0.271 32.386 32.600 0.096 0.000 1.399 376 M HN 0.199 nan 8.290 nan 0.000 0.435 377 R N 0.155 120.636 120.500 -0.031 0.000 2.170 377 R HA -0.191 4.149 4.340 0.000 0.000 0.242 377 R C 0.362 176.513 176.300 -0.248 0.000 1.145 377 R CA 1.982 57.922 56.100 -0.267 0.000 0.984 377 R CB -0.738 29.240 30.300 -0.537 0.000 0.869 377 R HN 0.590 nan 8.270 nan 0.000 0.455 378 Y N -1.131 119.308 120.300 0.231 0.000 2.636 378 Y HA 0.458 5.008 4.550 0.000 0.000 0.260 378 Y C 1.750 177.722 175.900 0.120 0.000 1.177 378 Y CA -0.082 58.143 58.100 0.208 0.000 1.209 378 Y CB 0.198 38.726 38.460 0.114 0.000 1.166 378 Y HN 0.141 nan 8.280 nan 0.000 0.531 379 A N 0.729 123.682 122.820 0.222 0.000 1.927 379 A HA -0.192 4.128 4.320 0.000 0.000 0.220 379 A C 1.664 179.156 177.584 -0.153 0.000 1.185 379 A CA 1.681 53.748 52.037 0.050 0.000 0.639 379 A CB -0.632 18.408 19.000 0.066 0.000 0.820 379 A HN 0.516 nan 8.150 nan 0.000 0.451 380 L N -0.916 120.005 121.223 -0.504 0.000 2.741 380 L HA 0.181 4.521 4.340 0.000 0.000 0.237 380 L C -0.303 176.347 176.870 -0.367 0.000 1.178 380 L CA -0.242 54.208 54.840 -0.650 0.000 0.973 380 L CB -0.725 40.597 42.059 -1.228 0.000 1.255 380 L HN 0.365 nan 8.230 nan 0.000 0.498 381 N N -0.525 118.112 118.700 -0.106 0.000 2.443 381 N HA 0.169 4.909 4.740 0.000 0.000 0.293 381 N C 0.634 176.127 175.510 -0.028 0.000 1.159 381 N CA -0.731 52.337 53.050 0.030 0.000 0.904 381 N CB 1.556 40.181 38.487 0.230 0.000 1.214 381 N HN -0.083 nan 8.380 nan 0.000 0.513 382 E N 0.555 120.730 120.200 -0.041 0.000 2.028 382 E HA -0.112 4.238 4.350 0.000 0.000 0.191 382 E C -0.020 176.346 176.600 -0.389 0.000 0.988 382 E CA 1.493 57.784 56.400 -0.181 0.000 0.799 382 E CB 0.017 29.695 29.700 -0.038 0.000 0.755 382 E HN 0.540 nan 8.360 nan 0.000 0.447 383 H N -0.693 118.357 119.070 -0.033 0.000 2.616 383 H HA 0.291 4.847 4.556 0.000 0.000 0.229 383 H C 0.102 175.338 175.328 -0.154 0.000 1.418 383 H CA -0.108 55.901 56.048 -0.065 0.000 1.248 383 H CB 0.211 29.939 29.762 -0.057 0.000 1.822 383 H HN 0.007 nan 8.280 nan 0.000 0.522 384 G N 2.612 111.327 108.800 -0.142 0.000 2.484 384 G HA2 0.064 4.024 3.960 0.000 0.000 0.235 384 G HA3 0.064 4.024 3.960 0.000 0.000 0.235 384 G C -2.092 172.537 174.900 -0.453 0.000 1.282 384 G CA -0.620 44.135 45.100 -0.575 0.000 0.857 384 G HN 0.139 nan 8.290 nan 0.000 0.571 385 P HA 0.108 nan 4.420 nan 0.000 0.266 385 P C -0.197 176.998 177.300 -0.174 0.000 1.195 385 P CA 0.137 63.069 63.100 -0.280 0.000 0.768 385 P CB 0.884 32.447 31.700 -0.228 0.000 0.838 386 K N 1.522 121.852 120.400 -0.117 0.000 2.218 386 K HA 0.286 4.606 4.320 0.000 0.000 0.276 386 K C 0.365 176.855 176.600 -0.184 0.000 1.022 386 K CA -0.205 56.005 56.287 -0.127 0.000 0.946 386 K CB 0.545 32.992 32.500 -0.088 0.000 1.000 386 K HN 0.403 nan 8.250 nan 0.000 0.468 387 T N 1.289 115.619 114.554 -0.374 0.000 2.909 387 T HA 0.485 4.835 4.350 0.000 0.000 0.286 387 T C -0.565 173.913 174.700 -0.371 0.000 1.002 387 T CA -0.571 61.254 62.100 -0.459 0.000 1.074 387 T CB 1.350 69.698 68.868 -0.867 0.000 0.984 387 T HN 0.658 nan 8.240 nan 0.000 0.495 388 A N 3.084 125.801 122.820 -0.172 0.000 2.455 388 A HA 0.828 5.149 4.320 0.000 0.000 0.300 388 A C -0.997 176.600 177.584 0.023 0.000 1.040 388 A CA -0.793 51.216 52.037 -0.046 0.000 0.697 388 A CB 1.285 20.267 19.000 -0.030 0.000 1.265 388 A HN 0.782 nan 8.150 nan 0.000 0.407 389 M N 1.570 121.222 119.600 0.085 0.000 2.446 389 M HA 0.515 4.995 4.480 0.000 0.000 0.294 389 M C -0.667 175.698 176.300 0.108 0.000 1.158 389 M CA -0.307 55.054 55.300 0.103 0.000 0.899 389 M CB 2.817 35.498 32.600 0.135 0.000 1.687 389 M HN 0.676 nan 8.290 nan 0.000 0.455 390 K N 3.178 123.652 120.400 0.124 0.000 2.507 390 K HA 0.579 4.900 4.320 0.000 0.000 0.251 390 K C -2.015 174.686 176.600 0.168 0.000 0.943 390 K CA -0.503 55.864 56.287 0.132 0.000 0.794 390 K CB 1.728 34.274 32.500 0.077 0.000 1.188 390 K HN 0.760 nan 8.250 nan 0.000 0.428 391 L N 4.983 126.291 121.223 0.142 0.000 2.265 391 L HA 0.367 4.707 4.340 0.000 0.000 0.289 391 L C -0.641 176.312 176.870 0.137 0.000 1.033 391 L CA -1.054 53.842 54.840 0.094 0.000 0.814 391 L CB 1.671 43.730 42.059 0.001 0.000 1.203 391 L HN 0.400 nan 8.230 nan 0.000 0.423 392 V N 3.336 123.316 119.914 0.110 0.000 2.383 392 V HA 0.281 4.401 4.120 0.000 0.000 0.275 392 V C 0.038 176.155 176.094 0.039 0.000 1.036 392 V CA -0.399 61.952 62.300 0.085 0.000 0.889 392 V CB 1.214 33.099 31.823 0.103 0.000 0.985 392 V HN 0.804 nan 8.190 nan 0.000 0.459 393 C N 4.015 123.347 119.300 0.053 0.000 2.614 393 C HA 0.971 5.431 4.460 0.000 0.000 0.320 393 C C 0.439 175.441 174.990 0.020 0.000 1.200 393 C CA -0.727 58.309 59.018 0.030 0.000 1.700 393 C CB 1.252 29.043 27.740 0.084 0.000 2.275 393 C HN 0.992 nan 8.230 nan 0.000 0.492 394 A N 1.503 124.328 122.820 0.008 0.000 2.449 394 A HA 0.960 5.280 4.320 0.000 0.000 0.302 394 A C -0.081 177.506 177.584 0.005 0.000 1.048 394 A CA 0.472 52.512 52.037 0.004 0.000 0.708 394 A CB 0.900 19.900 19.000 0.001 0.000 1.274 394 A HN 2.608 nan 8.150 nan 0.000 0.410 395 G N 1.828 110.631 108.800 0.004 0.000 2.781 395 G HA2 -0.026 3.934 3.960 0.000 0.000 0.683 395 G HA3 -0.026 3.934 3.960 0.000 0.000 0.683 395 G C -1.747 173.159 174.900 0.010 0.000 1.390 395 G CA -0.129 44.974 45.100 0.006 0.000 0.850 395 G HN 0.621 nan 8.290 nan 0.000 0.557 396 P HA 0.094 nan 4.420 nan 0.000 0.216 396 P C 1.957 179.268 177.300 0.017 0.000 1.150 396 P CA 2.810 65.917 63.100 0.013 0.000 0.837 396 P CB -0.068 31.638 31.700 0.010 0.000 0.786 397 E N -0.223 119.986 120.200 0.014 0.000 2.418 397 E HA -0.128 4.222 4.350 0.000 0.000 0.197 397 E C 0.778 177.386 176.600 0.013 0.000 1.026 397 E CA 0.463 56.872 56.400 0.014 0.000 0.862 397 E CB -1.158 28.549 29.700 0.012 0.000 0.799 397 E HN 0.383 nan 8.360 nan 0.000 0.518 398 Q N -0.963 118.846 119.800 0.016 0.000 2.470 398 Q HA -0.191 4.149 4.340 0.000 0.000 0.294 398 Q C 0.131 176.119 176.000 -0.020 0.000 1.356 398 Q CA 0.530 56.343 55.803 0.016 0.000 0.805 398 Q CB -1.594 27.173 28.738 0.047 0.000 1.157 398 Q HN 0.639 nan 8.270 nan 0.000 0.431 399 R N 0.760 121.251 120.500 -0.015 0.000 2.537 399 R HA 0.102 4.442 4.340 0.000 0.000 0.281 399 R C 0.042 176.308 176.300 -0.055 0.000 0.988 399 R CA 0.337 56.421 56.100 -0.026 0.000 1.077 399 R CB 0.596 30.892 30.300 -0.007 0.000 0.932 399 R HN 0.173 nan 8.270 nan 0.000 0.409 400 V N 7.347 127.199 119.914 -0.104 0.000 2.405 400 V HA 0.051 4.171 4.120 0.000 0.000 0.264 400 V C 1.014 177.072 176.094 -0.061 0.000 1.048 400 V CA 0.089 62.297 62.300 -0.154 0.000 0.966 400 V CB 1.146 32.732 31.823 -0.394 0.000 1.015 400 V HN 0.719 nan 8.190 nan 0.000 0.477 401 V N 4.195 124.089 119.914 -0.034 0.000 3.590 401 V HA 0.641 4.761 4.120 0.000 0.000 0.265 401 V C 0.802 176.895 176.094 -0.001 0.000 1.239 401 V CA 0.832 63.128 62.300 -0.007 0.000 1.117 401 V CB -0.244 31.581 31.823 0.004 0.000 0.818 401 V HN 0.967 nan 8.190 nan 0.000 0.451 402 G N -0.209 108.588 108.800 -0.006 0.000 2.753 402 G HA2 0.594 4.554 3.960 0.000 0.000 0.295 402 G HA3 0.594 4.554 3.960 0.000 0.000 0.295 402 G C -1.640 173.179 174.900 -0.135 0.000 1.437 402 G CA -0.360 44.717 45.100 -0.039 0.000 1.094 402 G HN 0.258 nan 8.290 nan 0.000 0.540 403 V N 3.236 122.922 119.914 -0.381 0.000 2.531 403 V HA 0.611 4.731 4.120 0.000 0.000 0.301 403 V C -0.868 174.886 176.094 -0.565 0.000 1.034 403 V CA -0.866 61.255 62.300 -0.298 0.000 0.865 403 V CB 1.614 33.347 31.823 -0.150 0.000 0.995 403 V HN 0.795 nan 8.190 nan 0.000 0.424 404 H N 3.128 122.182 119.070 -0.027 0.000 2.782 404 H HA 0.710 5.266 4.556 0.000 0.000 0.347 404 H C -1.234 174.085 175.328 -0.015 0.000 1.038 404 H CA -0.447 55.598 56.048 -0.005 0.000 1.255 404 H CB 2.629 32.398 29.762 0.012 0.000 1.623 404 H HN 0.510 nan 8.280 nan 0.000 0.525 405 V N 5.169 125.126 119.914 0.072 0.000 2.841 405 V HA 0.563 4.683 4.120 0.000 0.000 0.310 405 V C -1.215 174.884 176.094 0.009 0.000 1.090 405 V CA -0.711 61.607 62.300 0.030 0.000 0.930 405 V CB 2.550 34.371 31.823 -0.004 0.000 1.014 405 V HN 0.757 nan 8.190 nan 0.000 0.425 406 I N 5.680 126.245 120.570 -0.009 0.000 2.534 406 I HA 0.917 5.087 4.170 0.000 0.000 0.288 406 I C -0.191 175.900 176.117 -0.043 0.000 1.077 406 I CA 0.596 61.875 61.300 -0.034 0.000 1.051 406 I CB 1.668 39.639 38.000 -0.048 0.000 1.234 406 I HN 1.145 nan 8.210 nan 0.000 0.425 407 G N 4.661 113.455 108.800 -0.010 0.000 2.359 407 G HA2 -0.013 3.947 3.960 0.000 0.000 0.314 407 G HA3 -0.013 3.947 3.960 0.000 0.000 0.314 407 G C -1.529 173.421 174.900 0.084 0.000 1.364 407 G CA -0.932 44.175 45.100 0.011 0.000 0.978 407 G HN 0.753 nan 8.290 nan 0.000 0.615 408 D N -0.195 120.290 120.400 0.141 0.000 2.658 408 D HA 0.414 5.054 4.640 0.000 0.000 0.230 408 D C 1.651 178.034 176.300 0.137 0.000 1.118 408 D CA 2.951 57.052 54.000 0.168 0.000 0.848 408 D CB 0.189 41.070 40.800 0.136 0.000 1.160 408 D HN 2.029 nan 8.370 nan 0.000 0.497 409 G N 2.533 111.428 108.800 0.158 0.000 2.234 409 G HA2 -0.360 3.600 3.960 0.000 0.000 0.260 409 G HA3 -0.360 3.600 3.960 0.000 0.000 0.260 409 G C 1.274 176.235 174.900 0.103 0.000 0.987 409 G CA 0.589 45.769 45.100 0.133 0.000 0.625 409 G HN 0.938 nan 8.290 nan 0.000 0.532 410 A N 1.402 124.270 122.820 0.079 0.000 2.032 410 A HA -0.049 4.271 4.320 0.000 0.000 0.221 410 A C 2.125 179.695 177.584 -0.023 0.000 1.165 410 A CA 2.377 54.429 52.037 0.024 0.000 0.645 410 A CB -0.521 18.474 19.000 -0.009 0.000 0.807 410 A HN 0.907 nan 8.150 nan 0.000 0.453 411 D N -0.605 119.775 120.400 -0.032 0.000 2.218 411 D HA -0.145 4.495 4.640 0.000 0.000 0.204 411 D C 0.887 177.185 176.300 -0.003 0.000 0.976 411 D CA 1.141 55.078 54.000 -0.105 0.000 0.853 411 D CB -0.294 40.456 40.800 -0.084 0.000 0.939 411 D HN 0.428 nan 8.370 nan 0.000 0.481 412 E N -0.692 119.538 120.200 0.051 0.000 2.538 412 E HA 0.184 4.535 4.350 0.000 0.000 0.207 412 E C 1.511 178.160 176.600 0.081 0.000 1.002 412 E CA -0.193 56.249 56.400 0.070 0.000 0.952 412 E CB 0.566 30.317 29.700 0.085 0.000 1.031 412 E HN 0.363 nan 8.360 nan 0.000 0.476 413 M N -0.236 119.418 119.600 0.090 0.000 2.357 413 M HA -0.006 4.474 4.480 0.000 0.000 0.266 413 M C 0.957 177.408 176.300 0.251 0.000 1.095 413 M CA 0.863 56.254 55.300 0.152 0.000 1.156 413 M CB 0.378 33.051 32.600 0.122 0.000 1.365 413 M HN 0.039 nan 8.290 nan 0.000 0.447 414 L N 0.007 121.337 121.223 0.178 0.000 2.585 414 L HA 0.087 4.427 4.340 0.000 0.000 0.226 414 L C 2.023 179.006 176.870 0.190 0.000 1.113 414 L CA 0.908 55.890 54.840 0.236 0.000 0.876 414 L CB -0.655 41.458 42.059 0.090 0.000 1.072 414 L HN 0.298 nan 8.230 nan 0.000 0.468 415 Q N 0.184 120.049 119.800 0.108 0.000 2.077 415 Q HA -0.160 4.180 4.340 0.000 0.000 0.206 415 Q C 2.163 178.180 176.000 0.028 0.000 0.989 415 Q CA 2.258 58.096 55.803 0.057 0.000 0.853 415 Q CB -0.606 28.153 28.738 0.035 0.000 0.907 415 Q HN 0.409 nan 8.270 nan 0.000 0.418 416 G N -1.352 107.433 108.800 -0.025 0.000 2.408 416 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 416 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 416 G C 1.084 175.868 174.900 -0.192 0.000 1.150 416 G CA 0.577 45.588 45.100 -0.149 0.000 0.776 416 G HN 0.404 nan 8.290 nan 0.000 0.542 417 F N 1.678 121.598 119.950 -0.051 0.000 2.216 417 F HA 0.045 4.572 4.527 0.000 0.000 0.300 417 F C 3.017 178.830 175.800 0.021 0.000 1.085 417 F CA 0.787 58.767 58.000 -0.034 0.000 1.326 417 F CB -0.050 38.950 39.000 0.000 0.000 1.027 417 F HN 0.229 nan 8.300 nan 0.000 0.497 418 A N -0.008 122.915 122.820 0.172 0.000 1.940 418 A HA -0.152 4.168 4.320 0.000 0.000 0.219 418 A C 2.317 179.938 177.584 0.061 0.000 1.176 418 A CA 1.962 54.058 52.037 0.098 0.000 0.631 418 A CB -1.203 17.834 19.000 0.061 0.000 0.814 418 A HN 0.178 nan 8.150 nan 0.000 0.446 419 V N -0.134 119.796 119.914 0.025 0.000 2.261 419 V HA -0.263 3.857 4.120 0.000 0.000 0.246 419 V C 3.067 179.172 176.094 0.018 0.000 1.047 419 V CA 2.039 64.340 62.300 0.001 0.000 1.015 419 V CB -1.438 30.363 31.823 -0.037 0.000 0.642 419 V HN 0.621 nan 8.190 nan 0.000 0.446 420 A N -0.115 122.716 122.820 0.018 0.000 1.883 420 A HA -0.181 4.139 4.320 0.000 0.000 0.217 420 A C 2.402 180.071 177.584 0.142 0.000 1.186 420 A CA 2.263 54.340 52.037 0.066 0.000 0.624 420 A CB -0.828 18.199 19.000 0.046 0.000 0.822 420 A HN 0.336 nan 8.150 nan 0.000 0.444 421 V N 0.357 120.378 119.914 0.178 0.000 2.343 421 V HA -0.240 3.880 4.120 0.000 0.000 0.247 421 V C 2.522 178.662 176.094 0.077 0.000 1.051 421 V CA 2.147 64.533 62.300 0.143 0.000 1.036 421 V CB -0.600 31.302 31.823 0.131 0.000 0.654 421 V HN 0.419 nan 8.190 nan 0.000 0.451 422 K N -0.383 120.051 120.400 0.058 0.000 2.147 422 K HA -0.012 4.308 4.320 0.000 0.000 0.205 422 K C 1.884 178.503 176.600 0.030 0.000 1.049 422 K CA 1.353 57.660 56.287 0.033 0.000 0.936 422 K CB -0.312 32.199 32.500 0.018 0.000 0.722 422 K HN 0.458 nan 8.250 nan 0.000 0.446 423 M N -0.736 118.887 119.600 0.038 0.000 2.618 423 M HA 0.039 4.519 4.480 0.000 0.000 0.240 423 M C 0.719 177.043 176.300 0.040 0.000 1.123 423 M CA 0.677 55.996 55.300 0.032 0.000 1.060 423 M CB 0.300 32.916 32.600 0.027 0.000 1.535 423 M HN 0.301 nan 8.290 nan 0.000 0.507 424 G N 1.104 109.934 108.800 0.050 0.000 2.132 424 G HA2 -0.181 3.779 3.960 0.000 0.000 0.228 424 G HA3 -0.181 3.779 3.960 0.000 0.000 0.228 424 G C 0.211 175.147 174.900 0.060 0.000 1.000 424 G CA -0.062 45.065 45.100 0.045 0.000 0.693 424 G HN 0.726 nan 8.290 nan 0.000 0.515 425 A N 0.091 122.972 122.820 0.103 0.000 2.609 425 A HA 0.512 4.832 4.320 0.000 0.000 0.232 425 A C 1.213 178.844 177.584 0.079 0.000 1.041 425 A CA 1.828 53.958 52.037 0.156 0.000 0.753 425 A CB 0.083 19.295 19.000 0.353 0.000 0.966 425 A HN 2.074 nan 8.150 nan 0.000 0.510 426 T N -0.587 114.007 114.554 0.065 0.000 2.922 426 T HA 0.453 4.803 4.350 0.000 0.000 0.281 426 T C 1.155 175.804 174.700 -0.084 0.000 1.005 426 T CA -0.535 61.553 62.100 -0.021 0.000 0.982 426 T CB 0.964 69.834 68.868 0.004 0.000 1.158 426 T HN 0.474 nan 8.240 nan 0.000 0.566 427 K N 0.274 120.587 120.400 -0.144 0.000 2.063 427 K HA -0.047 4.273 4.320 0.000 0.000 0.208 427 K C 2.466 179.049 176.600 -0.028 0.000 1.048 427 K CA 1.798 57.968 56.287 -0.195 0.000 0.928 427 K CB -1.252 31.136 32.500 -0.188 0.000 0.713 427 K HN 0.755 nan 8.250 nan 0.000 0.442 428 A N 1.716 124.541 122.820 0.008 0.000 1.908 428 A HA -0.204 4.117 4.320 0.000 0.000 0.218 428 A C 1.833 179.469 177.584 0.087 0.000 1.181 428 A CA 2.056 54.117 52.037 0.040 0.000 0.627 428 A CB -0.449 18.570 19.000 0.031 0.000 0.818 428 A HN 0.326 nan 8.150 nan 0.000 0.445 429 D N -0.907 119.571 120.400 0.131 0.000 2.117 429 D HA -0.127 4.513 4.640 0.000 0.000 0.197 429 D C 1.649 178.086 176.300 0.227 0.000 0.987 429 D CA 1.139 55.239 54.000 0.167 0.000 0.829 429 D CB -0.394 40.526 40.800 0.200 0.000 0.961 429 D HN 0.420 nan 8.370 nan 0.000 0.460 430 F N 1.766 121.721 119.950 0.010 0.000 2.075 430 F HA -0.139 4.388 4.527 0.000 0.000 0.297 430 F C 2.219 178.024 175.800 0.007 0.000 1.113 430 F CA 1.012 59.031 58.000 0.032 0.000 1.218 430 F CB -0.583 38.435 39.000 0.031 0.000 0.984 430 F HN -0.116 nan 8.300 nan 0.000 0.472 431 D N -0.522 119.986 120.400 0.181 0.000 2.219 431 D HA -0.114 4.526 4.640 0.000 0.000 0.205 431 D C 1.703 178.032 176.300 0.048 0.000 0.970 431 D CA 0.818 54.865 54.000 0.078 0.000 0.851 431 D CB -0.467 40.352 40.800 0.032 0.000 0.943 431 D HN 0.231 nan 8.370 nan 0.000 0.488 432 N N 0.013 118.742 118.700 0.048 0.000 2.494 432 N HA -0.034 4.706 4.740 0.000 0.000 0.182 432 N C -0.001 175.513 175.510 0.007 0.000 1.076 432 N CA 0.380 53.444 53.050 0.024 0.000 0.908 432 N CB 0.056 38.557 38.487 0.024 0.000 0.967 432 N HN 0.073 nan 8.380 nan 0.000 0.449 433 T N 1.421 115.976 114.554 0.002 0.000 2.794 433 T HA 0.233 4.583 4.350 0.000 0.000 0.296 433 T C 0.598 175.286 174.700 -0.020 0.000 0.949 433 T CA -0.436 61.645 62.100 -0.032 0.000 1.101 433 T CB 1.754 70.571 68.868 -0.086 0.000 0.905 433 T HN -0.232 nan 8.240 nan 0.000 0.516 434 V N 3.206 123.106 119.914 -0.023 0.000 2.655 434 V HA 0.346 4.466 4.120 0.000 0.000 0.300 434 V C 1.030 177.119 176.094 -0.009 0.000 1.044 434 V CA -0.772 61.520 62.300 -0.013 0.000 1.095 434 V CB 0.293 32.109 31.823 -0.013 0.000 0.952 434 V HN 1.110 nan 8.190 nan 0.000 0.485 435 A N 5.928 128.752 122.820 0.006 0.000 2.466 435 A HA 0.485 4.805 4.320 0.000 0.000 0.238 435 A C -0.137 177.470 177.584 0.039 0.000 1.074 435 A CA -0.172 51.881 52.037 0.026 0.000 0.774 435 A CB -0.044 18.974 19.000 0.029 0.000 1.015 435 A HN 0.746 nan 8.150 nan 0.000 0.498 436 I N 1.284 121.886 120.570 0.054 0.000 2.331 436 I HA 0.318 4.488 4.170 0.000 0.000 0.292 436 I C -0.056 176.132 176.117 0.118 0.000 0.998 436 I CA -0.009 61.329 61.300 0.064 0.000 1.267 436 I CB 1.056 39.078 38.000 0.038 0.000 1.386 436 I HN 0.841 nan 8.210 nan 0.000 0.476 437 H N 7.160 126.232 119.070 0.003 0.000 2.717 437 H HA 0.625 5.181 4.556 0.000 0.000 0.366 437 H C -2.573 172.759 175.328 0.008 0.000 1.132 437 H CA -1.561 54.489 56.048 0.003 0.000 1.180 437 H CB 1.745 31.505 29.762 -0.003 0.000 1.678 437 H HN 0.340 nan 8.280 nan 0.000 0.537 438 P HA 0.634 nan 4.420 nan 0.000 0.292 438 P C -0.588 176.606 177.300 -0.177 0.000 1.283 438 P CA -0.516 62.197 63.100 -0.645 0.000 0.835 438 P CB 2.017 33.277 31.700 -0.733 0.000 1.017 439 G N -0.530 108.242 108.800 -0.048 0.000 2.489 439 G HA2 0.338 4.299 3.960 0.000 0.000 0.305 439 G HA3 0.338 4.299 3.960 0.000 0.000 0.305 439 G C 0.105 175.058 174.900 0.089 0.000 1.311 439 G CA -0.329 44.790 45.100 0.031 0.000 0.813 439 G HN 0.259 nan 8.290 nan 0.000 0.480 440 S N -0.441 115.351 115.700 0.153 0.000 2.427 440 S HA 0.186 4.657 4.470 0.000 0.000 0.224 440 S C 2.640 177.360 174.600 0.200 0.000 1.047 440 S CA 1.350 59.704 58.200 0.256 0.000 0.953 440 S CB -0.095 63.320 63.200 0.359 0.000 0.824 440 S HN 1.100 nan 8.310 nan 0.000 0.502 441 A N 2.436 125.357 122.820 0.169 0.000 1.986 441 A HA -0.224 4.096 4.320 0.000 0.000 0.220 441 A C 1.935 179.619 177.584 0.167 0.000 1.171 441 A CA 1.844 53.990 52.037 0.182 0.000 0.640 441 A CB -0.757 18.381 19.000 0.230 0.000 0.811 441 A HN 0.768 nan 8.150 nan 0.000 0.451 442 E N -0.294 119.978 120.200 0.121 0.000 2.209 442 E HA -0.248 4.102 4.350 0.000 0.000 0.196 442 E C 1.258 177.894 176.600 0.059 0.000 0.993 442 E CA 1.249 57.703 56.400 0.090 0.000 0.819 442 E CB -0.340 29.407 29.700 0.078 0.000 0.745 442 E HN 0.546 nan 8.360 nan 0.000 0.477 443 E N 0.958 121.176 120.200 0.029 0.000 2.204 443 E HA -0.123 4.227 4.350 0.000 0.000 0.195 443 E C 2.156 178.791 176.600 0.060 0.000 0.990 443 E CA 0.770 57.172 56.400 0.002 0.000 0.821 443 E CB -0.158 29.523 29.700 -0.031 0.000 0.750 443 E HN 0.482 nan 8.360 nan 0.000 0.477 444 L N 0.445 121.714 121.223 0.078 0.000 2.291 444 L HA -0.065 4.275 4.340 0.000 0.000 0.214 444 L C 2.084 179.078 176.870 0.206 0.000 1.120 444 L CA 0.531 55.419 54.840 0.081 0.000 0.799 444 L CB -0.088 41.892 42.059 -0.132 0.000 0.925 444 L HN 0.018 nan 8.230 nan 0.000 0.446 445 V N -4.998 115.018 119.914 0.170 0.000 3.483 445 V HA 0.162 4.282 4.120 0.000 0.000 0.301 445 V C 1.085 177.226 176.094 0.079 0.000 1.389 445 V CA 0.607 63.004 62.300 0.163 0.000 1.101 445 V CB -0.276 31.614 31.823 0.111 0.000 0.971 445 V HN 0.401 nan 8.190 nan 0.000 0.434 446 T N -2.288 112.295 114.554 0.048 0.000 3.393 446 T HA 0.443 4.794 4.350 0.000 0.000 0.298 446 T C -0.082 174.625 174.700 0.012 0.000 1.004 446 T CA -0.382 61.727 62.100 0.016 0.000 0.956 446 T CB 0.124 68.991 68.868 -0.001 0.000 1.182 446 T HN 0.116 nan 8.240 nan 0.000 0.497 447 L N 2.203 123.429 121.223 0.005 0.000 2.418 447 L HA 0.533 4.873 4.340 0.000 0.000 0.274 447 L C 1.222 178.115 176.870 0.039 0.000 1.135 447 L CA 0.465 55.322 54.840 0.029 0.000 0.870 447 L CB 0.035 42.089 42.059 -0.007 0.000 1.154 447 L HN 0.551 nan 8.230 nan 0.000 0.462 448 K N 3.450 123.923 120.400 0.122 0.000 2.230 448 K HA 0.408 4.728 4.320 0.000 0.000 0.219 448 K C 0.748 177.490 176.600 0.238 0.000 1.033 448 K CA 0.857 57.222 56.287 0.130 0.000 0.937 448 K CB -0.710 31.836 32.500 0.076 0.000 1.018 448 K HN 0.610 nan 8.250 nan 0.000 0.463 449 E N 2.749 123.055 120.200 0.176 0.000 2.227 449 E HA 0.511 4.861 4.350 0.000 0.000 0.282 449 E C -2.609 174.012 176.600 0.035 0.000 1.015 449 E CA -2.281 54.183 56.400 0.107 0.000 0.823 449 E CB 0.497 30.224 29.700 0.046 0.000 1.081 449 E HN 0.504 nan 8.360 nan 0.000 0.396 450 P HA 0.212 nan 4.420 nan 0.000 0.278 450 P C 0.662 177.809 177.300 -0.255 0.000 1.238 450 P CA -0.461 62.305 63.100 -0.557 0.000 0.794 450 P CB 1.931 33.096 31.700 -0.892 0.000 0.955 451 V N 2.554 122.344 119.914 -0.206 0.000 2.649 451 V HA 0.047 4.168 4.120 0.000 0.000 0.248 451 V C 0.843 176.870 176.094 -0.111 0.000 1.054 451 V CA 1.330 63.565 62.300 -0.109 0.000 1.073 451 V CB -0.330 31.458 31.823 -0.060 0.000 0.699 451 V HN 0.518 nan 8.190 nan 0.000 0.463 452 R N -0.460 119.950 120.500 -0.150 0.000 2.604 452 R HA 0.725 5.065 4.340 0.000 0.000 0.281 452 R C -0.454 175.759 176.300 -0.144 0.000 1.020 452 R CA -0.112 55.917 56.100 -0.117 0.000 0.899 452 R CB 1.897 32.146 30.300 -0.085 0.000 1.205 452 R HN 0.245 nan 8.270 nan 0.000 0.450 453 R N 2.069 122.506 120.500 -0.105 0.000 2.919 453 R HA 0.620 4.960 4.340 0.000 0.000 0.260 453 R C -2.756 173.509 176.300 -0.059 0.000 1.067 453 R CA -1.962 54.083 56.100 -0.092 0.000 1.003 453 R CB -0.270 29.981 30.300 -0.081 0.000 1.192 453 R HN 0.385 nan 8.270 nan 0.000 0.488 454 P HA 0.239 nan 4.420 nan 0.000 0.262 454 P C 0.707 177.991 177.300 -0.028 0.000 1.199 454 P CA 1.796 64.877 63.100 -0.031 0.000 0.763 454 P CB 0.907 32.594 31.700 -0.022 0.000 0.790 455 G N 0.698 109.483 108.800 -0.026 0.000 2.545 455 G HA2 -0.131 3.829 3.960 0.000 0.000 0.195 455 G HA3 -0.131 3.829 3.960 0.000 0.000 0.195 455 G C 0.267 175.152 174.900 -0.024 0.000 1.009 455 G CA 0.115 45.201 45.100 -0.023 0.000 0.703 455 G HN 0.778 nan 8.290 nan 0.000 0.479 456 D N 0.000 120.382 120.400 -0.030 0.000 6.856 456 D HA 0.000 4.640 4.640 0.000 0.000 0.175 456 D CA 0.000 53.982 54.000 -0.030 0.000 0.868 456 D CB 0.000 40.776 40.800 -0.039 0.000 0.688 456 D HN 0.000 nan 8.370 nan 0.000 0.683