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 2r9z_1_A DATA FIRST_RESID 2 DATA SEQUENCE TQHFDLIAIG GGSGGLAVAE KAAAFGKRVA LIESKALGGT cVNVGcVPKK DATA SEQUENCE VMWYASHLAE AVRDAPGFGV QASXXXLDWP RLVAGRDRYI GAINSFWDGY DATA SEQUENCE VERLGITRVD GHARFVDAHT IEVEGQRLSA DHIVIATGGR PIVPRLPGAE DATA SEQUENCE LGITSDGFFA LQQQPKRVAI IGAGYIGIEL AGLLRSFGSE VTVVALEDRL DATA SEQUENCE LFQFDPLLSA TLAENMHAQG IETHLEFAVA ALERDAQGTT LVAQDGTRLE 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 RRPG 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 0.000 174.874 174.700 0.290 0.000 1.109 2 T CA 0.000 62.285 62.100 0.308 0.000 1.349 2 T CB 0.000 68.949 68.868 0.135 0.000 0.612 3 Q N -0.002 119.959 119.800 0.270 0.000 1.752 3 Q HA 0.235 4.575 4.340 0.000 0.000 0.169 3 Q C 0.686 176.795 176.000 0.182 0.000 0.747 3 Q CA 0.540 56.471 55.803 0.213 0.000 0.814 3 Q CB -0.669 28.139 28.738 0.117 0.000 1.218 3 Q HN 0.787 nan 8.270 nan 0.000 0.384 4 H N -1.316 117.652 119.070 -0.170 0.000 2.517 4 H HA 0.461 5.017 4.556 0.000 0.000 0.282 4 H C -0.412 174.771 175.328 -0.243 0.000 1.023 4 H CA -1.550 54.379 56.048 -0.198 0.000 1.169 4 H CB -0.805 28.815 29.762 -0.237 0.000 1.454 4 H HN 0.319 nan 8.280 nan 0.000 0.556 5 F N 2.196 122.078 119.950 -0.113 0.000 2.484 5 F HA 0.105 4.632 4.527 0.000 0.000 0.360 5 F C 1.431 177.217 175.800 -0.023 0.000 1.101 5 F CA -0.130 57.782 58.000 -0.148 0.000 1.251 5 F CB 0.950 39.903 39.000 -0.079 0.000 1.132 5 F HN 0.050 nan 8.300 nan 0.000 0.570 6 D N 1.452 121.935 120.400 0.139 0.000 2.117 6 D HA -0.075 4.565 4.640 0.000 0.000 0.198 6 D C 0.288 176.793 176.300 0.342 0.000 0.982 6 D CA 1.440 55.559 54.000 0.199 0.000 0.828 6 D CB 0.198 40.983 40.800 -0.025 0.000 0.967 6 D HN 0.213 nan 8.370 nan 0.000 0.464 7 L N 0.429 121.787 121.223 0.224 0.000 2.436 7 L HA 0.406 4.746 4.340 0.000 0.000 0.268 7 L C -1.452 175.474 176.870 0.094 0.000 0.974 7 L CA -0.506 54.478 54.840 0.239 0.000 0.826 7 L CB 2.222 44.383 42.059 0.170 0.000 1.291 7 L HN -0.221 nan 8.230 nan 0.000 0.406 8 I N 4.854 125.481 120.570 0.094 0.000 2.362 8 I HA 0.620 4.790 4.170 0.000 0.000 0.289 8 I C -0.014 176.109 176.117 0.010 0.000 0.994 8 I CA -0.629 60.645 61.300 -0.044 0.000 1.158 8 I CB 1.817 39.764 38.000 -0.088 0.000 1.315 8 I HN 0.794 nan 8.210 nan 0.000 0.451 9 A N 8.069 130.864 122.820 -0.041 0.000 2.249 9 A HA 0.663 4.983 4.320 0.000 0.000 0.314 9 A C -0.293 177.251 177.584 -0.067 0.000 1.290 9 A CA -0.444 51.582 52.037 -0.019 0.000 0.893 9 A CB 0.111 19.098 19.000 -0.022 0.000 1.165 9 A HN 0.710 nan 8.150 nan 0.000 0.530 10 I N 2.773 123.311 120.570 -0.053 0.000 2.322 10 I HA 0.505 4.675 4.170 0.000 0.000 0.292 10 I C 0.883 176.957 176.117 -0.072 0.000 1.060 10 I CA 0.471 61.713 61.300 -0.098 0.000 1.309 10 I CB 0.592 38.516 38.000 -0.127 0.000 1.415 10 I HN 0.944 nan 8.210 nan 0.000 0.492 11 G N 3.771 112.517 108.800 -0.089 0.000 3.233 11 G HA2 0.019 3.979 3.960 0.000 0.000 0.686 11 G HA3 0.019 3.979 3.960 0.000 0.000 0.686 11 G C -0.036 174.814 174.900 -0.084 0.000 1.153 11 G CA -0.536 44.520 45.100 -0.073 0.000 0.853 11 G HN 0.969 nan 8.290 nan 0.000 0.582 12 G N 0.801 109.544 108.800 -0.096 0.000 4.125 12 G HA2 0.683 4.643 3.960 0.000 0.000 0.301 12 G HA3 0.683 4.643 3.960 0.000 0.000 0.301 12 G C 0.834 175.627 174.900 -0.179 0.000 1.273 12 G CA 0.902 45.921 45.100 -0.135 0.000 1.095 12 G HN 1.268 nan 8.290 nan 0.000 0.582 13 G N 0.005 108.717 108.800 -0.147 0.000 2.641 13 G HA2 0.379 4.339 3.960 0.000 0.000 0.239 13 G HA3 0.379 4.339 3.960 0.000 0.000 0.239 13 G C 1.241 176.025 174.900 -0.193 0.000 1.402 13 G CA 0.372 45.381 45.100 -0.151 0.000 1.046 13 G HN 0.157 nan 8.290 nan 0.000 0.565 14 S N -0.218 115.402 115.700 -0.134 0.000 2.368 14 S HA -0.167 4.303 4.470 0.000 0.000 0.226 14 S C 2.460 177.011 174.600 -0.082 0.000 1.044 14 S CA 1.914 60.048 58.200 -0.111 0.000 1.062 14 S CB -0.783 62.394 63.200 -0.038 0.000 0.931 14 S HN 0.791 nan 8.310 nan 0.000 0.440 15 G N 0.969 109.745 108.800 -0.041 0.000 2.414 15 G HA2 0.015 3.975 3.960 0.000 0.000 0.215 15 G HA3 0.015 3.975 3.960 0.000 0.000 0.215 15 G C 1.478 176.363 174.900 -0.024 0.000 1.188 15 G CA 0.882 45.976 45.100 -0.011 0.000 0.783 15 G HN 0.572 nan 8.290 nan 0.000 0.537 16 G N 0.833 109.605 108.800 -0.047 0.000 2.446 16 G HA2 -0.156 3.804 3.960 0.000 0.000 0.217 16 G HA3 -0.156 3.804 3.960 0.000 0.000 0.217 16 G C 1.723 176.574 174.900 -0.082 0.000 1.168 16 G CA 0.952 46.020 45.100 -0.053 0.000 0.771 16 G HN 0.289 nan 8.290 nan 0.000 0.551 17 L N 1.428 122.554 121.223 -0.163 0.000 2.012 17 L HA -0.000 4.340 4.340 0.000 0.000 0.210 17 L C 3.289 180.112 176.870 -0.078 0.000 1.073 17 L CA 1.726 56.432 54.840 -0.223 0.000 0.748 17 L CB -1.155 40.547 42.059 -0.595 0.000 0.891 17 L HN 0.311 nan 8.230 nan 0.000 0.431 18 A N -1.403 121.390 122.820 -0.046 0.000 1.877 18 A HA -0.182 4.138 4.320 0.000 0.000 0.216 18 A C 2.519 180.132 177.584 0.048 0.000 1.186 18 A CA 1.957 54.018 52.037 0.040 0.000 0.620 18 A CB -1.129 17.895 19.000 0.039 0.000 0.822 18 A HN 0.232 nan 8.150 nan 0.000 0.443 19 V N -0.245 119.690 119.914 0.035 0.000 2.307 19 V HA -0.152 3.968 4.120 0.000 0.000 0.245 19 V C 2.849 178.977 176.094 0.057 0.000 1.045 19 V CA 2.290 64.627 62.300 0.062 0.000 1.024 19 V CB -0.789 31.069 31.823 0.060 0.000 0.651 19 V HN 0.614 nan 8.190 nan 0.000 0.449 20 A N -0.541 122.287 122.820 0.013 0.000 1.858 20 A HA -0.293 4.027 4.320 0.000 0.000 0.216 20 A C 2.257 179.817 177.584 -0.040 0.000 1.190 20 A CA 2.152 54.175 52.037 -0.023 0.000 0.617 20 A CB -0.788 18.180 19.000 -0.054 0.000 0.827 20 A HN 0.724 nan 8.150 nan 0.000 0.443 21 E N -0.429 119.763 120.200 -0.014 0.000 2.058 21 E HA -0.301 4.049 4.350 0.000 0.000 0.194 21 E C 2.050 178.614 176.600 -0.060 0.000 0.997 21 E CA 1.816 58.202 56.400 -0.024 0.000 0.801 21 E CB -0.123 29.661 29.700 0.140 0.000 0.746 21 E HN 0.394 nan 8.360 nan 0.000 0.450 22 K N 0.589 120.970 120.400 -0.031 0.000 2.057 22 K HA -0.034 4.286 4.320 0.000 0.000 0.206 22 K C 1.820 178.341 176.600 -0.133 0.000 1.050 22 K CA 1.468 57.680 56.287 -0.125 0.000 0.935 22 K CB -0.553 31.939 32.500 -0.012 0.000 0.715 22 K HN 0.213 nan 8.250 nan 0.000 0.439 23 A N 0.542 123.391 122.820 0.048 0.000 1.902 23 A HA -0.063 4.257 4.320 0.000 0.000 0.217 23 A C 2.364 179.880 177.584 -0.113 0.000 1.181 23 A CA 2.080 54.135 52.037 0.030 0.000 0.623 23 A CB -1.078 17.856 19.000 -0.110 0.000 0.818 23 A HN 0.399 nan 8.150 nan 0.000 0.443 24 A N -0.279 122.464 122.820 -0.127 0.000 1.972 24 A HA 0.183 4.503 4.320 0.000 0.000 0.219 24 A C 2.418 179.924 177.584 -0.129 0.000 1.169 24 A CA 1.917 53.874 52.037 -0.132 0.000 0.635 24 A CB -0.841 18.075 19.000 -0.140 0.000 0.810 24 A HN 1.062 nan 8.150 nan 0.000 0.446 25 A N -1.300 121.409 122.820 -0.186 0.000 2.015 25 A HA 0.094 4.414 4.320 0.000 0.000 0.219 25 A C 1.580 179.032 177.584 -0.221 0.000 1.163 25 A CA 0.782 52.681 52.037 -0.230 0.000 0.646 25 A CB -0.677 18.135 19.000 -0.313 0.000 0.806 25 A HN 0.515 nan 8.150 nan 0.000 0.448 26 F N -0.088 119.850 119.950 -0.019 0.000 2.725 26 F HA 0.297 4.824 4.527 0.000 0.000 0.303 26 F C 1.749 177.524 175.800 -0.042 0.000 1.167 26 F CA 0.480 58.475 58.000 -0.008 0.000 1.403 26 F CB -0.035 38.989 39.000 0.040 0.000 1.077 26 F HN 0.366 nan 8.300 nan 0.000 0.537 27 G N 0.469 109.306 108.800 0.062 0.000 2.160 27 G HA2 -0.263 3.697 3.960 0.000 0.000 0.251 27 G HA3 -0.263 3.697 3.960 0.000 0.000 0.251 27 G C 0.289 175.166 174.900 -0.039 0.000 1.008 27 G CA -0.300 44.807 45.100 0.011 0.000 0.724 27 G HN 0.152 nan 8.290 nan 0.000 0.514 28 K N -0.332 120.006 120.400 -0.104 0.000 2.098 28 K HA 0.461 4.781 4.320 0.000 0.000 0.257 28 K C 0.582 177.085 176.600 -0.161 0.000 0.999 28 K CA -0.916 55.243 56.287 -0.214 0.000 0.924 28 K CB 1.120 33.287 32.500 -0.556 0.000 1.028 28 K HN 0.357 nan 8.250 nan 0.000 0.466 29 R N 1.017 121.434 120.500 -0.138 0.000 2.202 29 R HA 0.290 4.630 4.340 0.000 0.000 0.334 29 R C -1.092 175.244 176.300 0.060 0.000 1.036 29 R CA -0.319 55.743 56.100 -0.064 0.000 0.878 29 R CB 0.430 30.626 30.300 -0.174 0.000 1.067 29 R HN 0.243 nan 8.270 nan 0.000 0.457 30 V N 3.727 123.692 119.914 0.085 0.000 2.588 30 V HA 0.655 4.775 4.120 0.000 0.000 0.304 30 V C -0.412 175.630 176.094 -0.086 0.000 1.042 30 V CA -0.899 61.406 62.300 0.009 0.000 0.877 30 V CB 1.716 33.492 31.823 -0.078 0.000 0.996 30 V HN 0.935 nan 8.190 nan 0.000 0.425 31 A N 4.645 127.239 122.820 -0.378 0.000 2.304 31 A HA 0.892 5.212 4.320 0.000 0.000 0.323 31 A C -1.121 176.277 177.584 -0.310 0.000 1.195 31 A CA -0.490 51.196 52.037 -0.584 0.000 0.826 31 A CB 1.203 19.464 19.000 -1.232 0.000 1.184 31 A HN 0.850 nan 8.150 nan 0.000 0.496 32 L N 4.302 125.390 121.223 -0.226 0.000 2.325 32 L HA 0.592 4.932 4.340 0.000 0.000 0.281 32 L C -1.087 175.693 176.870 -0.150 0.000 1.004 32 L CA -0.412 54.334 54.840 -0.157 0.000 0.823 32 L CB 1.220 43.208 42.059 -0.117 0.000 1.236 32 L HN 0.547 nan 8.230 nan 0.000 0.415 33 I N 3.785 124.268 120.570 -0.144 0.000 2.359 33 I HA 0.578 4.748 4.170 0.000 0.000 0.294 33 I C -0.277 175.776 176.117 -0.107 0.000 0.987 33 I CA -0.568 60.653 61.300 -0.132 0.000 1.225 33 I CB 1.210 39.115 38.000 -0.158 0.000 1.366 33 I HN 0.629 nan 8.210 nan 0.000 0.466 34 E N 3.112 123.262 120.200 -0.082 0.000 2.287 34 E HA 0.326 4.676 4.350 0.000 0.000 0.274 34 E C 0.127 176.706 176.600 -0.034 0.000 0.896 34 E CA -0.454 55.909 56.400 -0.062 0.000 0.788 34 E CB 1.672 31.338 29.700 -0.056 0.000 1.244 34 E HN 0.536 nan 8.360 nan 0.000 0.408 35 S N 3.918 119.608 115.700 -0.017 0.000 2.470 35 S HA 0.141 4.611 4.470 0.000 0.000 0.225 35 S C 0.863 175.479 174.600 0.027 0.000 1.006 35 S CA 0.390 58.604 58.200 0.024 0.000 0.934 35 S CB 0.182 63.427 63.200 0.075 0.000 0.778 35 S HN 0.441 nan 8.310 nan 0.000 0.517 36 K N 1.041 121.451 120.400 0.016 0.000 4.563 36 K HA 0.704 5.024 4.320 0.000 0.000 0.275 36 K C -0.302 176.305 176.600 0.011 0.000 1.045 36 K CA -0.044 56.256 56.287 0.020 0.000 1.901 36 K CB 0.097 32.615 32.500 0.029 0.000 3.095 36 K HN 0.187 nan 8.250 nan 0.000 0.770 37 A N 1.570 124.395 122.820 0.009 0.000 2.350 37 A HA 0.559 4.879 4.320 0.000 0.000 0.324 37 A C -0.272 177.304 177.584 -0.013 0.000 1.118 37 A CA -0.677 51.365 52.037 0.008 0.000 0.783 37 A CB 0.539 19.553 19.000 0.022 0.000 1.236 37 A HN 0.400 nan 8.150 nan 0.000 0.457 38 L N 1.441 122.658 121.223 -0.010 0.000 2.483 38 L HA 0.356 4.696 4.340 0.000 0.000 0.276 38 L C 1.534 178.355 176.870 -0.082 0.000 1.213 38 L CA 1.525 56.332 54.840 -0.056 0.000 0.843 38 L CB 0.431 42.491 42.059 0.002 0.000 1.107 38 L HN 1.290 nan 8.230 nan 0.000 0.487 39 G N 1.112 109.769 108.800 -0.238 0.000 2.238 39 G HA2 -0.084 3.876 3.960 0.000 0.000 0.217 39 G HA3 -0.084 3.876 3.960 0.000 0.000 0.217 39 G C 0.658 175.472 174.900 -0.142 0.000 0.996 39 G CA -0.100 44.856 45.100 -0.239 0.000 0.632 39 G HN 1.421 nan 8.290 nan 0.000 0.503 40 G N -0.753 107.987 108.800 -0.100 0.000 2.575 40 G HA2 -0.100 3.860 3.960 0.000 0.000 0.267 40 G HA3 -0.100 3.860 3.960 0.000 0.000 0.267 40 G C 1.020 175.906 174.900 -0.024 0.000 1.264 40 G CA 1.300 46.366 45.100 -0.057 0.000 0.935 40 G HN 1.303 nan 8.290 nan 0.000 0.568 41 T N -0.441 114.111 114.554 -0.003 0.000 2.746 41 T HA -0.184 4.166 4.350 0.000 0.000 0.267 41 T C 2.449 177.149 174.700 0.000 0.000 1.039 41 T CA 2.460 64.571 62.100 0.017 0.000 1.142 41 T CB -0.606 68.290 68.868 0.047 0.000 0.866 41 T HN 0.940 nan 8.240 nan 0.000 0.444 42 c N 1.003 119.603 118.600 -0.001 0.000 2.436 42 c HA -0.045 4.525 4.570 0.000 0.000 0.277 42 c C 2.747 176.826 174.090 -0.018 0.000 1.241 42 c CA 0.626 56.955 56.329 0.001 0.000 1.721 42 c CB -1.194 41.323 42.510 0.012 0.000 2.043 42 c HN 0.372 nan 8.230 nan 0.000 0.472 43 V N 2.105 122.015 119.914 -0.007 0.000 2.358 43 V HA -0.165 3.956 4.120 0.000 0.000 0.246 43 V C 2.319 178.402 176.094 -0.017 0.000 1.047 43 V CA 2.423 64.731 62.300 0.014 0.000 1.035 43 V CB -0.693 31.160 31.823 0.050 0.000 0.658 43 V HN 0.601 nan 8.190 nan 0.000 0.452 44 N N 0.235 118.918 118.700 -0.029 0.000 2.305 44 N HA -0.011 4.730 4.740 0.000 0.000 0.179 44 N C 1.196 176.650 175.510 -0.094 0.000 1.019 44 N CA 1.778 54.809 53.050 -0.031 0.000 0.869 44 N CB 0.650 39.139 38.487 0.004 0.000 1.000 44 N HN 0.550 nan 8.380 nan 0.000 0.431 45 V N -3.407 116.435 119.914 -0.120 0.000 3.070 45 V HA 0.653 4.773 4.120 0.000 0.000 0.355 45 V C 0.457 176.386 176.094 -0.276 0.000 1.400 45 V CA -0.197 61.988 62.300 -0.191 0.000 1.170 45 V CB 0.537 32.407 31.823 0.078 0.000 1.169 45 V HN 0.143 nan 8.190 nan 0.000 0.554 46 G N -0.128 108.505 108.800 -0.279 0.000 3.366 46 G HA2 0.231 4.191 3.960 0.000 0.000 0.179 46 G HA3 0.231 4.191 3.960 0.000 0.000 0.179 46 G C 0.953 175.798 174.900 -0.092 0.000 1.143 46 G CA 0.622 45.671 45.100 -0.084 0.000 0.810 46 G HN 0.261 nan 8.290 nan 0.000 0.697 47 c N 0.162 118.757 118.600 -0.008 0.000 2.363 47 c HA -0.087 4.483 4.570 0.000 0.000 0.274 47 c C 2.897 176.941 174.090 -0.077 0.000 1.183 47 c CA 1.114 57.428 56.329 -0.025 0.000 1.771 47 c CB -1.525 40.982 42.510 -0.005 0.000 2.059 47 c HN 0.266 nan 8.230 nan 0.000 0.455 48 V N 2.699 122.581 119.914 -0.053 0.000 2.255 48 V HA -0.109 4.011 4.120 0.000 0.000 0.243 48 V C 0.222 176.310 176.094 -0.010 0.000 1.038 48 V CA 2.460 64.764 62.300 0.008 0.000 1.008 48 V CB -2.122 29.748 31.823 0.079 0.000 0.645 48 V HN 0.345 nan 8.190 nan 0.000 0.449 49 P HA -0.214 nan 4.420 nan 0.000 0.216 49 P C 1.616 178.971 177.300 0.092 0.000 1.150 49 P CA 1.686 64.716 63.100 -0.116 0.000 0.837 49 P CB -0.064 31.326 31.700 -0.517 0.000 0.786 50 K N 0.621 121.053 120.400 0.054 0.000 2.032 50 K HA -0.219 4.101 4.320 0.000 0.000 0.209 50 K C 2.258 178.936 176.600 0.131 0.000 1.048 50 K CA 1.945 58.421 56.287 0.315 0.000 0.927 50 K CB -0.252 32.409 32.500 0.268 0.000 0.712 50 K HN -0.165 nan 8.250 nan 0.000 0.441 51 K N 0.567 120.915 120.400 -0.086 0.000 2.097 51 K HA -0.056 4.264 4.320 0.000 0.000 0.205 51 K C 1.849 178.484 176.600 0.058 0.000 1.050 51 K CA 1.126 57.270 56.287 -0.239 0.000 0.938 51 K CB -0.141 32.113 32.500 -0.409 0.000 0.718 51 K HN 0.050 nan 8.250 nan 0.000 0.442 52 V N 1.014 120.994 119.914 0.110 0.000 2.255 52 V HA -0.308 3.812 4.120 0.000 0.000 0.247 52 V C 2.318 178.538 176.094 0.210 0.000 1.051 52 V CA 2.266 64.651 62.300 0.143 0.000 1.018 52 V CB -0.436 31.415 31.823 0.046 0.000 0.641 52 V HN 0.379 nan 8.190 nan 0.000 0.445 53 M N -1.771 117.973 119.600 0.241 0.000 2.213 53 M HA -0.222 4.258 4.480 0.000 0.000 0.263 53 M C 2.047 178.561 176.300 0.355 0.000 1.062 53 M CA 2.215 57.710 55.300 0.324 0.000 1.105 53 M CB -0.484 32.358 32.600 0.403 0.000 1.385 53 M HN 0.570 nan 8.290 nan 0.000 0.417 54 W N 0.322 121.653 121.300 0.051 0.000 2.338 54 W HA -0.238 4.422 4.660 0.000 0.000 0.304 54 W C 1.805 178.289 176.519 -0.059 0.000 1.212 54 W CA 1.664 58.969 57.345 -0.068 0.000 1.264 54 W CB -0.560 28.761 29.460 -0.232 0.000 1.142 54 W HN 0.134 nan 8.180 nan 0.000 0.512 55 Y N 0.182 120.609 120.300 0.213 0.000 2.128 55 Y HA -0.316 4.234 4.550 0.000 0.000 0.284 55 Y C 2.706 178.624 175.900 0.030 0.000 1.154 55 Y CA 1.979 60.103 58.100 0.039 0.000 1.149 55 Y CB -1.191 37.308 38.460 0.065 0.000 0.976 55 Y HN 0.036 nan 8.280 nan 0.000 0.505 56 A N -0.660 122.316 122.820 0.260 0.000 1.892 56 A HA -0.309 4.011 4.320 0.000 0.000 0.218 56 A C 2.422 180.204 177.584 0.331 0.000 1.188 56 A CA 2.291 54.483 52.037 0.259 0.000 0.631 56 A CB -1.325 17.823 19.000 0.247 0.000 0.822 56 A HN 0.452 nan 8.150 nan 0.000 0.447 57 S N -1.400 114.458 115.700 0.262 0.000 2.382 57 S HA -0.270 4.200 4.470 0.000 0.000 0.228 57 S C 1.985 176.503 174.600 -0.137 0.000 1.027 57 S CA 1.854 60.026 58.200 -0.047 0.000 0.991 57 S CB -0.555 62.397 63.200 -0.413 0.000 0.823 57 S HN 0.798 nan 8.310 nan 0.000 0.469 58 H N 0.686 119.528 119.070 -0.381 0.000 2.389 58 H HA 0.143 4.699 4.556 0.000 0.000 0.299 58 H C 1.868 177.108 175.328 -0.147 0.000 1.081 58 H CA 1.952 57.755 56.048 -0.407 0.000 1.345 58 H CB -0.256 29.096 29.762 -0.683 0.000 1.393 58 H HN 0.390 nan 8.280 nan 0.000 0.520 59 L N -0.525 120.704 121.223 0.009 0.000 2.109 59 L HA -0.003 4.337 4.340 0.000 0.000 0.207 59 L C 2.816 179.678 176.870 -0.013 0.000 1.086 59 L CA 0.723 55.562 54.840 -0.002 0.000 0.760 59 L CB -0.585 41.512 42.059 0.063 0.000 0.910 59 L HN 0.386 nan 8.230 nan 0.000 0.437 60 A N 0.086 122.930 122.820 0.039 0.000 1.908 60 A HA -0.248 4.072 4.320 0.000 0.000 0.218 60 A C 2.176 179.763 177.584 0.005 0.000 1.181 60 A CA 1.895 53.968 52.037 0.061 0.000 0.627 60 A CB -0.391 18.706 19.000 0.161 0.000 0.818 60 A HN 0.320 nan 8.150 nan 0.000 0.445 61 E N -0.182 119.987 120.200 -0.052 0.000 2.047 61 E HA -0.006 4.344 4.350 0.000 0.000 0.191 61 E C 2.233 178.793 176.600 -0.067 0.000 0.987 61 E CA 1.346 57.709 56.400 -0.061 0.000 0.799 61 E CB -0.498 29.142 29.700 -0.099 0.000 0.752 61 E HN 0.499 nan 8.360 nan 0.000 0.449 62 A N 0.371 123.100 122.820 -0.152 0.000 1.927 62 A HA -0.230 4.090 4.320 0.000 0.000 0.220 62 A C 2.498 180.049 177.584 -0.055 0.000 1.185 62 A CA 2.164 54.118 52.037 -0.139 0.000 0.639 62 A CB -1.207 17.680 19.000 -0.188 0.000 0.820 62 A HN 0.307 nan 8.150 nan 0.000 0.451 63 V N -0.632 119.264 119.914 -0.030 0.000 2.427 63 V HA -0.194 3.926 4.120 0.000 0.000 0.248 63 V C 2.239 178.345 176.094 0.021 0.000 1.051 63 V CA 2.305 64.606 62.300 0.000 0.000 1.048 63 V CB -0.761 31.066 31.823 0.008 0.000 0.666 63 V HN 0.574 nan 8.190 nan 0.000 0.456 64 R N -0.128 120.386 120.500 0.025 0.000 2.105 64 R HA -0.152 4.188 4.340 0.000 0.000 0.239 64 R C 1.910 178.249 176.300 0.065 0.000 1.135 64 R CA 2.120 58.245 56.100 0.041 0.000 0.967 64 R CB -0.278 30.046 30.300 0.039 0.000 0.861 64 R HN 0.594 nan 8.270 nan 0.000 0.442 65 D N -0.794 119.653 120.400 0.078 0.000 2.346 65 D HA 0.086 4.726 4.640 0.000 0.000 0.206 65 D C 1.503 177.915 176.300 0.186 0.000 1.001 65 D CA 0.600 54.688 54.000 0.147 0.000 0.871 65 D CB 0.146 41.049 40.800 0.172 0.000 0.943 65 D HN 0.177 nan 8.370 nan 0.000 0.518 66 A N 1.929 124.812 122.820 0.104 0.000 1.892 66 A HA -0.138 4.182 4.320 0.000 0.000 0.218 66 A C -0.253 177.419 177.584 0.147 0.000 1.188 66 A CA 1.404 53.502 52.037 0.103 0.000 0.631 66 A CB -1.479 17.543 19.000 0.037 0.000 0.822 66 A HN 0.174 nan 8.150 nan 0.000 0.447 67 P HA -0.066 nan 4.420 nan 0.000 0.218 67 P C 1.660 179.004 177.300 0.073 0.000 1.149 67 P CA 1.539 64.685 63.100 0.076 0.000 0.817 67 P CB -0.345 31.385 31.700 0.049 0.000 0.785 68 G N -1.144 107.707 108.800 0.085 0.000 2.442 68 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 68 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 68 G C 0.892 175.732 174.900 -0.100 0.000 1.141 68 G CA 0.349 45.443 45.100 -0.010 0.000 0.763 68 G HN 0.240 nan 8.290 nan 0.000 0.554 69 F N 0.736 120.686 119.950 -0.000 0.000 2.773 69 F HA 0.340 4.867 4.527 0.000 0.000 0.304 69 F C 1.968 177.766 175.800 -0.005 0.000 1.129 69 F CA 0.455 58.452 58.000 -0.005 0.000 1.378 69 F CB 0.533 39.526 39.000 -0.012 0.000 1.095 69 F HN 0.264 nan 8.300 nan 0.000 0.565 70 G N 0.156 109.027 108.800 0.119 0.000 2.157 70 G HA2 -0.253 3.707 3.960 0.000 0.000 0.248 70 G HA3 -0.253 3.707 3.960 0.000 0.000 0.248 70 G C -0.087 174.856 174.900 0.072 0.000 0.979 70 G CA 0.041 45.185 45.100 0.073 0.000 0.650 70 G HN 0.118 nan 8.290 nan 0.000 0.529 71 V N 1.446 121.414 119.914 0.090 0.000 2.333 71 V HA 0.735 4.855 4.120 0.000 0.000 0.274 71 V C 0.942 177.062 176.094 0.044 0.000 1.028 71 V CA 0.297 62.631 62.300 0.057 0.000 0.851 71 V CB 0.717 32.568 31.823 0.046 0.000 1.000 71 V HN 0.948 nan 8.190 nan 0.000 0.456 72 Q N 3.115 122.933 119.800 0.030 0.000 2.361 72 Q HA 0.632 4.972 4.340 0.000 0.000 0.276 72 Q C 0.082 176.094 176.000 0.020 0.000 1.022 72 Q CA 0.409 56.226 55.803 0.024 0.000 0.898 72 Q CB 0.839 29.587 28.738 0.017 0.000 1.246 72 Q HN 1.601 nan 8.270 nan 0.000 0.410 73 A N 1.055 123.887 122.820 0.020 0.000 2.609 73 A HA 0.863 5.183 4.320 0.000 0.000 0.291 73 A C 0.270 177.864 177.584 0.017 0.000 1.096 73 A CA 0.277 52.324 52.037 0.017 0.000 0.684 73 A CB 1.028 20.039 19.000 0.018 0.000 1.282 73 A HN 2.304 nan 8.150 nan 0.000 0.412 79 D N 4.133 124.514 120.400 -0.032 0.000 2.468 79 D HA 0.034 4.674 4.640 0.000 0.000 0.218 79 D C 0.758 177.062 176.300 0.007 0.000 1.155 79 D CA -0.148 53.854 54.000 0.003 0.000 0.924 79 D CB 0.429 41.222 40.800 -0.010 0.000 1.029 79 D HN 0.580 nan 8.370 nan 0.000 0.515 80 W N 4.954 126.160 121.300 -0.156 0.000 2.381 80 W HA -0.072 4.588 4.660 0.000 0.000 0.301 80 W C -1.324 175.126 176.519 -0.116 0.000 1.205 80 W CA 0.617 57.854 57.345 -0.181 0.000 1.285 80 W CB -1.260 28.102 29.460 -0.164 0.000 1.133 80 W HN 0.387 nan 8.180 nan 0.000 0.521 81 P HA -0.239 nan 4.420 nan 0.000 0.216 81 P C 1.608 178.906 177.300 -0.004 0.000 1.150 81 P CA 2.751 65.918 63.100 0.112 0.000 0.843 81 P CB -0.255 31.502 31.700 0.095 0.000 0.787 82 R N -0.014 120.471 120.500 -0.024 0.000 2.066 82 R HA -0.043 4.297 4.340 0.000 0.000 0.232 82 R C 2.230 178.469 176.300 -0.101 0.000 1.131 82 R CA 1.381 57.451 56.100 -0.049 0.000 0.955 82 R CB -1.665 28.611 30.300 -0.039 0.000 0.851 82 R HN 0.105 nan 8.270 nan 0.000 0.432 83 L N 0.040 121.155 121.223 -0.179 0.000 1.990 83 L HA -0.208 4.132 4.340 0.000 0.000 0.213 83 L C 2.079 178.804 176.870 -0.241 0.000 1.072 83 L CA 1.928 56.617 54.840 -0.252 0.000 0.755 83 L CB -0.486 41.305 42.059 -0.448 0.000 0.889 83 L HN 0.177 nan 8.230 nan 0.000 0.432 84 V N 0.212 119.937 119.914 -0.316 0.000 2.282 84 V HA -0.361 3.759 4.120 0.000 0.000 0.249 84 V C 2.805 178.854 176.094 -0.074 0.000 1.057 84 V CA 1.939 64.112 62.300 -0.211 0.000 1.032 84 V CB -1.004 30.727 31.823 -0.154 0.000 0.645 84 V HN 0.628 nan 8.190 nan 0.000 0.447 85 A N 0.200 122.990 122.820 -0.049 0.000 1.883 85 A HA -0.131 4.189 4.320 0.000 0.000 0.217 85 A C 2.424 180.007 177.584 -0.002 0.000 1.186 85 A CA 2.160 54.191 52.037 -0.011 0.000 0.624 85 A CB -1.320 17.677 19.000 -0.005 0.000 0.822 85 A HN 0.549 nan 8.150 nan 0.000 0.444 86 G N -0.816 107.973 108.800 -0.018 0.000 2.404 86 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 86 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 86 G C 1.727 176.648 174.900 0.034 0.000 1.174 86 G CA 1.015 46.116 45.100 0.001 0.000 0.780 86 G HN 0.562 nan 8.290 nan 0.000 0.537 87 R N 0.400 120.904 120.500 0.008 0.000 2.096 87 R HA -0.140 4.200 4.340 0.000 0.000 0.240 87 R C 1.983 178.345 176.300 0.104 0.000 1.139 87 R CA 2.057 58.190 56.100 0.054 0.000 0.952 87 R CB -0.378 29.930 30.300 0.014 0.000 0.854 87 R HN 0.207 nan 8.270 nan 0.000 0.436 88 D N -0.386 120.052 120.400 0.063 0.000 2.144 88 D HA -0.147 4.493 4.640 0.000 0.000 0.200 88 D C 1.944 178.285 176.300 0.069 0.000 0.978 88 D CA 0.945 54.983 54.000 0.063 0.000 0.833 88 D CB -0.232 40.596 40.800 0.046 0.000 0.961 88 D HN 0.290 nan 8.370 nan 0.000 0.470 89 R N -0.583 119.961 120.500 0.073 0.000 2.075 89 R HA -0.177 4.163 4.340 0.000 0.000 0.232 89 R C 2.293 178.649 176.300 0.093 0.000 1.126 89 R CA 0.954 57.096 56.100 0.069 0.000 0.963 89 R CB -0.453 29.884 30.300 0.062 0.000 0.858 89 R HN 0.227 nan 8.270 nan 0.000 0.435 90 Y N 0.772 121.074 120.300 0.003 0.000 2.145 90 Y HA -0.243 4.307 4.550 0.000 0.000 0.286 90 Y C 1.949 177.858 175.900 0.015 0.000 1.145 90 Y CA 1.555 59.656 58.100 0.003 0.000 1.148 90 Y CB -0.042 38.417 38.460 -0.001 0.000 0.981 90 Y HN 0.043 nan 8.280 nan 0.000 0.507 91 I N 0.560 121.177 120.570 0.078 0.000 2.226 91 I HA -0.225 3.945 4.170 0.000 0.000 0.245 91 I C 2.759 178.869 176.117 -0.012 0.000 1.100 91 I CA 1.495 62.803 61.300 0.012 0.000 1.374 91 I CB -1.995 36.037 38.000 0.053 0.000 1.057 91 I HN 0.388 nan 8.210 nan 0.000 0.413 92 G N 0.528 109.334 108.800 0.010 0.000 2.476 92 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 92 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 92 G C 1.819 176.720 174.900 0.002 0.000 1.164 92 G CA 1.224 46.334 45.100 0.017 0.000 0.768 92 G HN 0.517 nan 8.290 nan 0.000 0.560 93 A N 0.519 123.311 122.820 -0.047 0.000 1.933 93 A HA 0.083 4.403 4.320 0.000 0.000 0.218 93 A C 2.410 179.967 177.584 -0.044 0.000 1.175 93 A CA 1.296 53.297 52.037 -0.060 0.000 0.628 93 A CB -0.304 18.628 19.000 -0.113 0.000 0.814 93 A HN 0.410 nan 8.150 nan 0.000 0.444 94 I N 0.058 120.573 120.570 -0.092 0.000 2.179 94 I HA -0.298 3.872 4.170 0.000 0.000 0.242 94 I C 2.221 178.486 176.117 0.247 0.000 1.088 94 I CA 1.651 62.968 61.300 0.029 0.000 1.357 94 I CB -0.684 37.303 38.000 -0.022 0.000 1.051 94 I HN 0.421 nan 8.210 nan 0.000 0.409 95 N N 0.372 119.178 118.700 0.177 0.000 2.061 95 N HA -0.193 4.547 4.740 0.000 0.000 0.193 95 N C 1.938 177.552 175.510 0.174 0.000 1.030 95 N CA 1.755 54.922 53.050 0.195 0.000 0.856 95 N CB -0.136 38.414 38.487 0.104 0.000 1.023 95 N HN 0.211 nan 8.380 nan 0.000 0.424 96 S N 0.480 116.243 115.700 0.106 0.000 2.368 96 S HA -0.125 4.345 4.470 0.000 0.000 0.224 96 S C 1.628 176.258 174.600 0.049 0.000 1.029 96 S CA 0.728 58.967 58.200 0.066 0.000 0.988 96 S CB -0.434 62.790 63.200 0.040 0.000 0.838 96 S HN 0.369 nan 8.310 nan 0.000 0.462 97 F N 0.996 120.908 119.950 -0.064 0.000 2.065 97 F HA -0.206 4.321 4.527 0.000 0.000 0.298 97 F C 1.864 177.596 175.800 -0.114 0.000 1.112 97 F CA 1.610 59.506 58.000 -0.174 0.000 1.212 97 F CB -0.483 38.301 39.000 -0.359 0.000 0.975 97 F HN 0.224 nan 8.300 nan 0.000 0.476 98 W N 1.028 122.210 121.300 -0.197 0.000 2.388 98 W HA -0.138 4.522 4.660 0.000 0.000 0.294 98 W C 2.332 178.743 176.519 -0.180 0.000 1.212 98 W CA 0.928 58.137 57.345 -0.226 0.000 1.271 98 W CB -0.405 29.074 29.460 0.031 0.000 1.126 98 W HN 0.003 nan 8.180 nan 0.000 0.535 99 D N -0.623 119.846 120.400 0.114 0.000 2.104 99 D HA -0.156 4.484 4.640 0.000 0.000 0.194 99 D C 2.353 178.638 176.300 -0.026 0.000 0.994 99 D CA 1.891 55.917 54.000 0.043 0.000 0.830 99 D CB -1.109 39.713 40.800 0.036 0.000 0.959 99 D HN 0.247 nan 8.370 nan 0.000 0.452 100 G N -0.707 108.041 108.800 -0.086 0.000 2.421 100 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 100 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 100 G C 1.556 176.390 174.900 -0.110 0.000 1.143 100 G CA 0.281 45.324 45.100 -0.095 0.000 0.784 100 G HN 0.227 nan 8.290 nan 0.000 0.541 101 Y N 1.300 121.338 120.300 -0.436 0.000 2.200 101 Y HA -0.033 4.517 4.550 0.000 0.000 0.290 101 Y C 2.792 178.582 175.900 -0.183 0.000 1.137 101 Y CA 0.763 58.593 58.100 -0.450 0.000 1.163 101 Y CB -0.461 37.411 38.460 -0.979 0.000 0.988 101 Y HN 0.032 nan 8.280 nan 0.000 0.518 102 V N 0.574 120.420 119.914 -0.113 0.000 2.332 102 V HA -0.325 3.795 4.120 0.000 0.000 0.248 102 V C 2.410 178.427 176.094 -0.128 0.000 1.055 102 V CA 2.372 64.597 62.300 -0.124 0.000 1.038 102 V CB -0.591 31.220 31.823 -0.019 0.000 0.651 102 V HN 0.447 nan 8.190 nan 0.000 0.450 103 E N 0.019 120.167 120.200 -0.087 0.000 2.072 103 E HA -0.269 4.081 4.350 0.000 0.000 0.191 103 E C 2.467 179.021 176.600 -0.077 0.000 0.985 103 E CA 1.353 57.714 56.400 -0.066 0.000 0.801 103 E CB -0.118 29.557 29.700 -0.042 0.000 0.750 103 E HN 0.499 nan 8.360 nan 0.000 0.452 104 R N 0.461 120.909 120.500 -0.087 0.000 2.091 104 R HA -0.140 4.200 4.340 0.000 0.000 0.238 104 R C 2.294 178.528 176.300 -0.110 0.000 1.136 104 R CA 1.335 57.394 56.100 -0.068 0.000 0.959 104 R CB -0.263 30.034 30.300 -0.005 0.000 0.856 104 R HN 0.231 nan 8.270 nan 0.000 0.437 105 L N -0.282 120.812 121.223 -0.215 0.000 2.465 105 L HA 0.090 4.430 4.340 0.000 0.000 0.224 105 L C 1.298 178.087 176.870 -0.135 0.000 1.145 105 L CA 0.761 55.467 54.840 -0.223 0.000 0.834 105 L CB -0.053 41.785 42.059 -0.367 0.000 0.944 105 L HN 0.685 nan 8.230 nan 0.000 0.451 106 G N 0.589 109.329 108.800 -0.100 0.000 2.136 106 G HA2 -0.276 3.684 3.960 0.000 0.000 0.242 106 G HA3 -0.276 3.684 3.960 0.000 0.000 0.242 106 G C 0.195 175.067 174.900 -0.046 0.000 0.989 106 G CA -0.242 44.823 45.100 -0.059 0.000 0.682 106 G HN 0.274 nan 8.290 nan 0.000 0.522 107 I N 1.465 121.992 120.570 -0.071 0.000 2.529 107 I HA 0.234 4.404 4.170 0.000 0.000 0.284 107 I C 0.881 176.977 176.117 -0.035 0.000 1.082 107 I CA 0.007 61.270 61.300 -0.062 0.000 1.406 107 I CB 1.072 39.013 38.000 -0.097 0.000 1.405 107 I HN 0.025 nan 8.210 nan 0.000 0.548 108 T N 6.544 121.088 114.554 -0.016 0.000 2.738 108 T HA 0.156 4.506 4.350 0.000 0.000 0.294 108 T C 0.297 174.945 174.700 -0.086 0.000 0.914 108 T CA -0.379 61.716 62.100 -0.008 0.000 1.052 108 T CB -0.064 68.854 68.868 0.084 0.000 0.897 108 T HN 0.372 nan 8.240 nan 0.000 0.522 109 R N 3.239 123.705 120.500 -0.056 0.000 2.265 109 R HA 0.393 4.733 4.340 0.000 0.000 0.314 109 R C -1.118 175.146 176.300 -0.061 0.000 1.053 109 R CA -0.260 55.801 56.100 -0.066 0.000 0.931 109 R CB 0.680 30.954 30.300 -0.044 0.000 1.024 109 R HN 0.366 nan 8.270 nan 0.000 0.457 110 V N 4.657 124.522 119.914 -0.083 0.000 2.378 110 V HA 0.143 4.263 4.120 0.000 0.000 0.288 110 V C -0.671 175.390 176.094 -0.054 0.000 1.016 110 V CA -0.851 61.408 62.300 -0.068 0.000 0.840 110 V CB 1.825 33.589 31.823 -0.098 0.000 0.994 110 V HN 0.704 nan 8.190 nan 0.000 0.431 111 D N 3.528 123.909 120.400 -0.030 0.000 2.264 111 D HA 0.682 5.322 4.640 0.000 0.000 0.250 111 D C 0.509 176.803 176.300 -0.010 0.000 1.113 111 D CA 1.210 55.199 54.000 -0.018 0.000 0.871 111 D CB 1.542 42.338 40.800 -0.006 0.000 1.167 111 D HN 1.021 nan 8.370 nan 0.000 0.447 112 G N 1.144 109.943 108.800 -0.002 0.000 2.354 112 G HA2 -0.054 3.906 3.960 0.000 0.000 0.582 112 G HA3 -0.054 3.906 3.960 0.000 0.000 0.582 112 G C -1.427 173.492 174.900 0.032 0.000 1.316 112 G CA -1.061 44.055 45.100 0.026 0.000 0.995 112 G HN 0.572 nan 8.290 nan 0.000 0.573 113 H N 0.917 119.971 119.070 -0.027 0.000 2.782 113 H HA 0.620 5.176 4.556 0.000 0.000 0.285 113 H C 0.666 175.967 175.328 -0.045 0.000 1.093 113 H CA 0.532 56.562 56.048 -0.029 0.000 1.410 113 H CB 0.801 30.555 29.762 -0.014 0.000 1.439 113 H HN 0.973 nan 8.280 nan 0.000 0.469 114 A N 5.943 128.577 122.820 -0.311 0.000 2.371 114 A HA 0.492 4.812 4.320 0.000 0.000 0.257 114 A C 0.001 177.447 177.584 -0.230 0.000 1.089 114 A CA -0.400 51.488 52.037 -0.248 0.000 0.794 114 A CB 0.495 19.316 19.000 -0.298 0.000 1.029 114 A HN 0.867 nan 8.150 nan 0.000 0.488 115 R N 0.557 120.984 120.500 -0.121 0.000 2.673 115 R HA 0.433 4.773 4.340 0.000 0.000 0.281 115 R C -1.556 174.682 176.300 -0.104 0.000 0.991 115 R CA -0.573 55.508 56.100 -0.032 0.000 0.896 115 R CB 1.574 31.928 30.300 0.090 0.000 1.201 115 R HN 0.631 nan 8.270 nan 0.000 0.457 116 F N 0.718 120.665 119.950 -0.005 0.000 2.506 116 F HA 0.024 4.551 4.527 0.000 0.000 0.351 116 F C 1.441 177.231 175.800 -0.016 0.000 1.136 116 F CA 0.125 58.116 58.000 -0.015 0.000 1.298 116 F CB 0.724 39.711 39.000 -0.022 0.000 1.145 116 F HN 0.220 nan 8.300 nan 0.000 0.593 117 V N 0.138 120.140 119.914 0.147 0.000 3.359 117 V HA 0.076 4.196 4.120 0.000 0.000 0.245 117 V C -0.453 175.666 176.094 0.041 0.000 1.247 117 V CA 0.865 63.208 62.300 0.071 0.000 1.145 117 V CB 0.325 32.166 31.823 0.029 0.000 0.906 117 V HN 0.908 nan 8.190 nan 0.000 0.464 118 D N -2.356 118.060 120.400 0.026 0.000 2.752 118 D HA 0.478 5.118 4.640 0.000 0.000 0.313 118 D C 0.953 177.218 176.300 -0.058 0.000 1.225 118 D CA 0.115 54.074 54.000 -0.069 0.000 0.976 118 D CB 0.991 41.677 40.800 -0.190 0.000 1.443 118 D HN -0.040 nan 8.370 nan 0.000 0.515 119 A N -0.671 122.061 122.820 -0.146 0.000 1.997 119 A HA -0.203 4.117 4.320 0.000 0.000 0.221 119 A C 1.304 178.923 177.584 0.058 0.000 1.172 119 A CA 2.048 54.042 52.037 -0.073 0.000 0.645 119 A CB -1.108 17.880 19.000 -0.021 0.000 0.813 119 A HN 0.716 nan 8.150 nan 0.000 0.454 120 H N -2.976 116.176 119.070 0.137 0.000 2.750 120 H HA 0.330 4.886 4.556 0.000 0.000 0.252 120 H C -1.090 174.324 175.328 0.143 0.000 1.176 120 H CA 0.353 56.489 56.048 0.146 0.000 0.987 120 H CB -0.395 29.416 29.762 0.082 0.000 1.810 120 H HN 0.172 nan 8.280 nan 0.000 0.630 121 T N 2.745 117.340 114.554 0.070 0.000 2.921 121 T HA 0.480 4.830 4.350 0.000 0.000 0.297 121 T C 0.186 174.886 174.700 -0.000 0.000 1.013 121 T CA -0.707 61.424 62.100 0.053 0.000 0.990 121 T CB 2.256 71.132 68.868 0.012 0.000 1.023 121 T HN 0.424 nan 8.240 nan 0.000 0.447 122 I N -0.584 119.934 120.570 -0.087 0.000 2.863 122 I HA 0.862 5.032 4.170 0.000 0.000 0.311 122 I C -0.394 175.671 176.117 -0.087 0.000 1.026 122 I CA -0.953 60.231 61.300 -0.193 0.000 1.077 122 I CB 2.023 39.804 38.000 -0.365 0.000 1.262 122 I HN 0.573 nan 8.210 nan 0.000 0.461 123 E N 2.983 123.136 120.200 -0.078 0.000 2.246 123 E HA 0.619 4.969 4.350 0.000 0.000 0.266 123 E C -1.921 174.659 176.600 -0.034 0.000 0.880 123 E CA -0.802 55.579 56.400 -0.032 0.000 0.762 123 E CB 2.370 32.069 29.700 -0.001 0.000 1.180 123 E HN 0.609 nan 8.360 nan 0.000 0.416 124 V N 4.250 124.149 119.914 -0.025 0.000 2.443 124 V HA 0.210 4.330 4.120 0.000 0.000 0.293 124 V C -0.311 175.786 176.094 0.005 0.000 1.021 124 V CA -0.758 61.532 62.300 -0.016 0.000 0.848 124 V CB 1.205 33.002 31.823 -0.042 0.000 0.998 124 V HN 0.958 nan 8.190 nan 0.000 0.424 125 E N 3.783 123.996 120.200 0.021 0.000 2.149 125 E HA -0.290 4.060 4.350 0.000 0.000 0.191 125 E C 1.373 177.982 176.600 0.015 0.000 1.384 125 E CA 0.761 57.173 56.400 0.019 0.000 0.698 125 E CB -1.120 28.590 29.700 0.018 0.000 1.086 125 E HN 1.471 nan 8.360 nan 0.000 0.338 126 G N -1.753 107.056 108.800 0.015 0.000 2.284 126 G HA2 -0.409 3.551 3.960 0.000 0.000 0.247 126 G HA3 -0.409 3.551 3.960 0.000 0.000 0.247 126 G C 0.325 175.235 174.900 0.016 0.000 1.012 126 G CA 0.543 45.652 45.100 0.015 0.000 0.618 126 G HN 0.901 nan 8.290 nan 0.000 0.521 127 Q N 0.768 120.577 119.800 0.015 0.000 2.279 127 Q HA 0.770 5.110 4.340 0.000 0.000 0.256 127 Q C 0.320 176.331 176.000 0.020 0.000 0.937 127 Q CA -0.083 55.733 55.803 0.021 0.000 0.933 127 Q CB 0.369 29.121 28.738 0.023 0.000 1.189 127 Q HN 0.734 nan 8.270 nan 0.000 0.417 128 R N 1.102 121.621 120.500 0.032 0.000 2.404 128 R HA 0.807 5.147 4.340 0.000 0.000 0.291 128 R C -0.570 175.770 176.300 0.067 0.000 1.025 128 R CA -0.392 55.730 56.100 0.037 0.000 0.991 128 R CB 1.013 31.338 30.300 0.041 0.000 1.053 128 R HN 0.715 nan 8.270 nan 0.000 0.479 129 L N 0.967 122.228 121.223 0.064 0.000 2.455 129 L HA 0.450 4.790 4.340 0.000 0.000 0.264 129 L C -0.710 176.240 176.870 0.134 0.000 0.968 129 L CA -0.756 54.159 54.840 0.126 0.000 0.827 129 L CB 2.385 44.483 42.059 0.065 0.000 1.317 129 L HN 0.597 nan 8.230 nan 0.000 0.407 130 S N 1.049 116.883 115.700 0.223 0.000 2.607 130 S HA 0.954 5.424 4.470 0.000 0.000 0.303 130 S C -0.562 174.205 174.600 0.278 0.000 1.086 130 S CA -0.582 57.760 58.200 0.237 0.000 0.995 130 S CB 2.373 65.731 63.200 0.263 0.000 1.084 130 S HN 0.777 nan 8.310 nan 0.000 0.507 131 A N 0.578 123.540 122.820 0.237 0.000 2.609 131 A HA 0.622 4.942 4.320 0.000 0.000 0.291 131 A C -0.233 177.441 177.584 0.150 0.000 1.096 131 A CA -0.605 51.572 52.037 0.233 0.000 0.684 131 A CB 0.580 19.735 19.000 0.258 0.000 1.282 131 A HN 0.614 nan 8.150 nan 0.000 0.412 132 D N 0.543 121.001 120.400 0.096 0.000 2.149 132 D HA -0.034 4.606 4.640 0.000 0.000 0.198 132 D C -0.019 176.110 176.300 -0.284 0.000 0.990 132 D CA 1.742 55.669 54.000 -0.121 0.000 0.839 132 D CB -0.025 40.698 40.800 -0.128 0.000 0.948 132 D HN 0.538 nan 8.370 nan 0.000 0.460 133 H N -0.792 118.468 119.070 0.317 0.000 2.689 133 H HA 0.437 4.993 4.556 0.000 0.000 0.346 133 H C -0.271 175.279 175.328 0.371 0.000 1.037 133 H CA -0.496 55.806 56.048 0.423 0.000 1.234 133 H CB 1.597 31.617 29.762 0.429 0.000 1.572 133 H HN -0.114 nan 8.280 nan 0.000 0.524 134 I N 3.407 124.277 120.570 0.499 0.000 2.410 134 I HA 0.201 4.371 4.170 0.000 0.000 0.286 134 I C -0.141 176.251 176.117 0.458 0.000 1.009 134 I CA -0.891 60.637 61.300 0.380 0.000 1.111 134 I CB 1.980 40.185 38.000 0.343 0.000 1.262 134 I HN 0.129 nan 8.210 nan 0.000 0.443 135 V N 7.376 127.493 119.914 0.339 0.000 2.370 135 V HA 0.404 4.524 4.120 0.000 0.000 0.279 135 V C 0.190 176.405 176.094 0.202 0.000 1.029 135 V CA -0.446 62.036 62.300 0.303 0.000 0.870 135 V CB 1.687 33.629 31.823 0.198 0.000 0.984 135 V HN 0.478 nan 8.190 nan 0.000 0.451 136 I N 4.392 125.093 120.570 0.219 0.000 2.304 136 I HA 0.592 4.762 4.170 0.000 0.000 0.291 136 I C 0.544 176.726 176.117 0.108 0.000 1.018 136 I CA -0.037 61.362 61.300 0.165 0.000 1.260 136 I CB 1.323 39.452 38.000 0.214 0.000 1.390 136 I HN 0.679 nan 8.210 nan 0.000 0.475 137 A N 3.676 126.532 122.820 0.060 0.000 3.355 137 A HA 0.316 4.636 4.320 0.000 0.000 0.290 137 A C 0.776 178.369 177.584 0.015 0.000 0.973 137 A CA -0.413 51.648 52.037 0.041 0.000 0.933 137 A CB -0.280 18.736 19.000 0.027 0.000 1.138 137 A HN 0.743 nan 8.150 nan 0.000 0.490 138 T N -2.447 112.121 114.554 0.023 0.000 3.129 138 T HA 0.438 4.788 4.350 0.000 0.000 0.251 138 T C 1.328 176.041 174.700 0.022 0.000 1.117 138 T CA 0.872 62.976 62.100 0.007 0.000 1.034 138 T CB -0.268 68.605 68.868 0.008 0.000 0.968 138 T HN 2.023 nan 8.240 nan 0.000 0.526 139 G N 0.516 109.335 108.800 0.031 0.000 2.598 139 G HA2 0.203 4.163 3.960 0.000 0.000 0.269 139 G HA3 0.203 4.163 3.960 0.000 0.000 0.269 139 G C 0.098 175.027 174.900 0.048 0.000 1.289 139 G CA -0.326 44.798 45.100 0.040 0.000 0.926 139 G HN 1.193 nan 8.290 nan 0.000 0.567 140 G N -1.237 107.595 108.800 0.054 0.000 3.022 140 G HA2 0.971 4.931 3.960 0.000 0.000 0.284 140 G HA3 0.971 4.931 3.960 0.000 0.000 0.284 140 G C -0.486 174.449 174.900 0.059 0.000 1.375 140 G CA 0.186 45.320 45.100 0.056 0.000 0.902 140 G HN 1.553 nan 8.290 nan 0.000 0.538 141 R N -1.100 119.434 120.500 0.056 0.000 2.680 141 R HA 0.549 4.889 4.340 0.000 0.000 0.269 141 R C -3.264 173.068 176.300 0.053 0.000 1.026 141 R CA -1.668 54.467 56.100 0.059 0.000 0.889 141 R CB 1.608 31.939 30.300 0.052 0.000 1.241 141 R HN 0.271 nan 8.270 nan 0.000 0.463 142 P HA 0.088 nan 4.420 nan 0.000 0.268 142 P C -0.368 176.943 177.300 0.018 0.000 1.204 142 P CA 0.024 63.157 63.100 0.054 0.000 0.768 142 P CB 0.434 32.185 31.700 0.086 0.000 0.842 143 I N 2.576 123.144 120.570 -0.004 0.000 2.441 143 I HA 0.114 4.284 4.170 0.000 0.000 0.287 143 I C 0.085 176.113 176.117 -0.149 0.000 1.049 143 I CA -0.305 60.957 61.300 -0.063 0.000 1.381 143 I CB 0.725 38.691 38.000 -0.058 0.000 1.409 143 I HN -0.006 nan 8.210 nan 0.000 0.523 144 V N 8.088 127.852 119.914 -0.250 0.000 2.350 144 V HA 0.285 4.405 4.120 0.000 0.000 0.285 144 V C -1.997 173.759 176.094 -0.563 0.000 1.014 144 V CA -1.667 60.304 62.300 -0.548 0.000 0.831 144 V CB 1.129 32.715 31.823 -0.397 0.000 1.000 144 V HN 0.628 nan 8.190 nan 0.000 0.433 145 P HA 0.124 nan 4.420 nan 0.000 0.267 145 P C -0.178 176.897 177.300 -0.375 0.000 1.201 145 P CA -0.069 62.718 63.100 -0.522 0.000 0.775 145 P CB 0.381 31.709 31.700 -0.620 0.000 0.854 146 R N 2.505 122.881 120.500 -0.206 0.000 3.266 146 R HA 0.342 4.682 4.340 0.000 0.000 0.224 146 R C -0.325 175.925 176.300 -0.083 0.000 1.525 146 R CA -0.114 55.911 56.100 -0.125 0.000 1.364 146 R CB -0.494 29.756 30.300 -0.084 0.000 1.276 146 R HN 0.444 nan 8.270 nan 0.000 0.660 147 L N 2.052 123.232 121.223 -0.072 0.000 2.371 147 L HA 0.497 4.837 4.340 0.000 0.000 0.262 147 L C -2.320 174.575 176.870 0.042 0.000 1.006 147 L CA -2.781 52.061 54.840 0.002 0.000 0.818 147 L CB 2.628 44.718 42.059 0.052 0.000 1.354 147 L HN 0.149 nan 8.230 nan 0.000 0.415 148 P HA 0.070 nan 4.420 nan 0.000 0.262 148 P C 0.682 178.040 177.300 0.098 0.000 1.182 148 P CA 0.660 63.796 63.100 0.060 0.000 0.761 148 P CB 0.532 32.263 31.700 0.051 0.000 0.795 149 G N 2.972 111.827 108.800 0.092 0.000 2.166 149 G HA2 -0.340 3.620 3.960 0.000 0.000 0.260 149 G HA3 -0.340 3.620 3.960 0.000 0.000 0.260 149 G C 1.173 176.189 174.900 0.194 0.000 0.986 149 G CA 0.451 45.622 45.100 0.119 0.000 0.683 149 G HN 0.694 nan 8.290 nan 0.000 0.527 150 A N 0.637 123.584 122.820 0.210 0.000 2.024 150 A HA 0.006 4.326 4.320 0.000 0.000 0.220 150 A C 2.189 179.980 177.584 0.345 0.000 1.164 150 A CA 2.168 54.410 52.037 0.342 0.000 0.643 150 A CB -0.252 18.751 19.000 0.005 0.000 0.806 150 A HN 0.993 nan 8.150 nan 0.000 0.451 151 E N 0.409 120.717 120.200 0.180 0.000 2.409 151 E HA -0.118 4.232 4.350 0.000 0.000 0.198 151 E C 1.521 178.217 176.600 0.160 0.000 1.024 151 E CA 0.499 56.987 56.400 0.147 0.000 0.861 151 E CB -0.502 29.247 29.700 0.082 0.000 0.788 151 E HN 0.498 nan 8.360 nan 0.000 0.521 152 L N 0.948 122.275 121.223 0.172 0.000 2.217 152 L HA 0.079 4.419 4.340 0.000 0.000 0.211 152 L C 1.454 178.394 176.870 0.117 0.000 1.107 152 L CA 1.219 56.133 54.840 0.124 0.000 0.783 152 L CB -1.187 40.932 42.059 0.099 0.000 0.919 152 L HN 0.115 nan 8.230 nan 0.000 0.442 153 G N -0.021 108.899 108.800 0.199 0.000 2.528 153 G HA2 0.526 4.486 3.960 0.000 0.000 0.289 153 G HA3 0.526 4.486 3.960 0.000 0.000 0.289 153 G C -0.255 174.780 174.900 0.225 0.000 1.192 153 G CA -0.432 44.728 45.100 0.101 0.000 0.921 153 G HN 0.174 nan 8.290 nan 0.000 0.512 154 I N -2.196 118.467 120.570 0.154 0.000 3.133 154 I HA 0.856 5.026 4.170 0.000 0.000 0.311 154 I C 0.404 176.659 176.117 0.231 0.000 1.072 154 I CA -0.983 60.429 61.300 0.186 0.000 1.015 154 I CB 2.262 40.337 38.000 0.125 0.000 1.233 154 I HN 0.631 nan 8.210 nan 0.000 0.473 155 T N -1.597 113.082 114.554 0.208 0.000 2.844 155 T HA 0.301 4.651 4.350 0.000 0.000 0.274 155 T C 1.151 175.957 174.700 0.177 0.000 0.991 155 T CA 0.047 62.266 62.100 0.199 0.000 0.983 155 T CB 1.037 70.012 68.868 0.178 0.000 1.310 155 T HN 0.851 nan 8.240 nan 0.000 0.596 156 S N 0.219 116.015 115.700 0.159 0.000 2.383 156 S HA -0.173 4.297 4.470 0.000 0.000 0.229 156 S C 1.352 176.167 174.600 0.359 0.000 1.030 156 S CA 1.562 59.877 58.200 0.191 0.000 1.002 156 S CB -1.040 62.278 63.200 0.197 0.000 0.829 156 S HN 0.702 nan 8.310 nan 0.000 0.467 157 D N 2.251 122.836 120.400 0.307 0.000 2.104 157 D HA -0.012 4.628 4.640 0.000 0.000 0.194 157 D C 2.225 178.696 176.300 0.285 0.000 0.994 157 D CA 1.556 55.742 54.000 0.311 0.000 0.830 157 D CB -1.161 39.762 40.800 0.204 0.000 0.959 157 D HN 0.571 nan 8.370 nan 0.000 0.452 158 G N -0.216 108.717 108.800 0.222 0.000 2.422 158 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 158 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 158 G C 1.485 176.491 174.900 0.177 0.000 1.140 158 G CA 0.285 45.491 45.100 0.178 0.000 0.775 158 G HN 0.259 nan 8.290 nan 0.000 0.545 159 F N 0.987 120.952 119.950 0.026 0.000 2.102 159 F HA 0.018 4.545 4.527 0.000 0.000 0.298 159 F C 2.034 177.795 175.800 -0.065 0.000 1.105 159 F CA 1.218 59.170 58.000 -0.079 0.000 1.239 159 F CB -0.166 38.663 39.000 -0.285 0.000 0.991 159 F HN 0.105 nan 8.300 nan 0.000 0.474 160 F N 0.340 120.436 119.950 0.244 0.000 2.604 160 F HA 0.099 4.626 4.527 0.000 0.000 0.298 160 F C 2.315 178.146 175.800 0.052 0.000 1.131 160 F CA 0.703 58.767 58.000 0.106 0.000 1.457 160 F CB -1.158 37.967 39.000 0.209 0.000 1.095 160 F HN 0.090 nan 8.300 nan 0.000 0.574 161 A N -0.275 122.662 122.820 0.195 0.000 2.178 161 A HA 0.178 4.498 4.320 0.000 0.000 0.211 161 A C 1.033 178.683 177.584 0.111 0.000 1.157 161 A CA -0.120 52.004 52.037 0.144 0.000 0.780 161 A CB -0.629 18.451 19.000 0.132 0.000 0.828 161 A HN 0.180 nan 8.150 nan 0.000 0.476 162 L N 0.912 122.185 121.223 0.084 0.000 2.534 162 L HA 0.006 4.346 4.340 0.000 0.000 0.271 162 L C 1.134 178.182 176.870 0.297 0.000 1.178 162 L CA -0.452 54.450 54.840 0.104 0.000 0.907 162 L CB 0.536 42.594 42.059 -0.001 0.000 1.164 162 L HN 0.349 nan 8.230 nan 0.000 0.482 163 Q N 1.686 121.590 119.800 0.174 0.000 2.402 163 Q HA 0.135 4.475 4.340 0.000 0.000 0.206 163 Q C -0.090 176.024 176.000 0.191 0.000 0.919 163 Q CA 0.604 56.535 55.803 0.214 0.000 0.923 163 Q CB 0.676 29.475 28.738 0.103 0.000 1.048 163 Q HN 0.594 nan 8.270 nan 0.000 0.515 164 Q N -0.038 119.683 119.800 -0.131 0.000 2.423 164 Q HA 0.296 4.636 4.340 0.000 0.000 0.278 164 Q C -0.836 174.444 176.000 -1.200 0.000 1.097 164 Q CA -0.421 55.099 55.803 -0.471 0.000 0.809 164 Q CB 1.806 30.400 28.738 -0.240 0.000 1.391 164 Q HN 0.101 nan 8.270 nan 0.000 0.428 165 Q N 2.644 121.591 119.800 -1.423 0.000 2.297 165 Q HA 0.218 4.558 4.340 0.000 0.000 0.267 165 Q C -2.067 173.547 176.000 -0.644 0.000 1.006 165 Q CA -1.268 53.688 55.803 -1.412 0.000 0.896 165 Q CB 0.561 28.879 28.738 -0.700 0.000 1.186 165 Q HN 0.206 nan 8.270 nan 0.000 0.392 166 P HA 0.151 nan 4.420 nan 0.000 0.278 166 P C -0.623 176.599 177.300 -0.129 0.000 1.238 166 P CA -0.207 62.751 63.100 -0.238 0.000 0.794 166 P CB 1.048 32.652 31.700 -0.160 0.000 0.955 167 K N 1.299 121.654 120.400 -0.075 0.000 2.137 167 K HA 0.054 4.374 4.320 0.000 0.000 0.202 167 K C 0.442 177.049 176.600 0.011 0.000 1.052 167 K CA 0.929 57.197 56.287 -0.033 0.000 0.961 167 K CB 0.149 32.629 32.500 -0.035 0.000 0.741 167 K HN 0.383 nan 8.250 nan 0.000 0.452 168 R N 1.220 121.744 120.500 0.040 0.000 2.625 168 R HA 0.269 4.609 4.340 0.000 0.000 0.286 168 R C -1.504 174.938 176.300 0.236 0.000 1.406 168 R CA -0.302 55.872 56.100 0.122 0.000 1.052 168 R CB 1.929 32.273 30.300 0.072 0.000 1.203 168 R HN -0.147 nan 8.270 nan 0.000 0.502 169 V N 1.761 121.764 119.914 0.148 0.000 2.427 169 V HA 0.663 4.783 4.120 0.000 0.000 0.286 169 V C 0.230 176.170 176.094 -0.256 0.000 1.034 169 V CA -0.851 61.445 62.300 -0.007 0.000 0.893 169 V CB 1.669 33.479 31.823 -0.022 0.000 0.982 169 V HN 0.758 nan 8.190 nan 0.000 0.452 170 A N 6.205 128.610 122.820 -0.691 0.000 2.304 170 A HA 0.827 5.147 4.320 0.000 0.000 0.323 170 A C -0.639 176.606 177.584 -0.564 0.000 1.195 170 A CA -0.516 50.918 52.037 -1.004 0.000 0.826 170 A CB 0.550 18.445 19.000 -1.841 0.000 1.184 170 A HN 0.658 nan 8.150 nan 0.000 0.496 171 I N 3.580 123.895 120.570 -0.424 0.000 2.362 171 I HA 0.322 4.492 4.170 0.000 0.000 0.289 171 I C -0.619 175.324 176.117 -0.290 0.000 0.994 171 I CA -0.175 60.944 61.300 -0.302 0.000 1.158 171 I CB 1.387 39.262 38.000 -0.208 0.000 1.315 171 I HN 0.519 nan 8.210 nan 0.000 0.451 172 I N 5.264 125.670 120.570 -0.273 0.000 2.328 172 I HA 0.604 4.774 4.170 0.000 0.000 0.287 172 I C 0.451 176.549 176.117 -0.032 0.000 1.012 172 I CA -0.233 60.953 61.300 -0.190 0.000 1.195 172 I CB 1.442 39.251 38.000 -0.318 0.000 1.350 172 I HN 0.790 nan 8.210 nan 0.000 0.464 173 G N 4.448 113.239 108.800 -0.014 0.000 3.069 173 G HA2 0.172 4.132 3.960 0.000 0.000 0.686 173 G HA3 0.172 4.132 3.960 0.000 0.000 0.686 173 G C -0.483 174.409 174.900 -0.012 0.000 1.161 173 G CA -0.334 44.777 45.100 0.017 0.000 0.804 173 G HN 0.900 nan 8.290 nan 0.000 0.608 174 A N 1.505 124.333 122.820 0.014 0.000 2.749 174 A HA 0.801 5.121 4.320 0.000 0.000 0.299 174 A C 1.316 178.937 177.584 0.061 0.000 1.105 174 A CA 1.098 53.146 52.037 0.018 0.000 0.987 174 A CB -0.138 18.876 19.000 0.023 0.000 1.180 174 A HN 2.153 nan 8.150 nan 0.000 0.528 175 G N -0.892 107.942 108.800 0.058 0.000 2.516 175 G HA2 0.283 4.243 3.960 0.000 0.000 0.276 175 G HA3 0.283 4.243 3.960 0.000 0.000 0.276 175 G C 0.778 175.719 174.900 0.068 0.000 1.390 175 G CA 0.241 45.404 45.100 0.106 0.000 1.050 175 G HN 0.706 nan 8.290 nan 0.000 0.519 176 Y N -1.093 119.262 120.300 0.092 0.000 2.200 176 Y HA -0.008 4.542 4.550 0.000 0.000 0.290 176 Y C 2.412 178.328 175.900 0.026 0.000 1.137 176 Y CA 1.335 59.456 58.100 0.034 0.000 1.163 176 Y CB -0.553 37.949 38.460 0.070 0.000 0.988 176 Y HN 0.206 nan 8.280 nan 0.000 0.518 177 I N 1.293 121.599 120.570 -0.440 0.000 2.179 177 I HA -0.221 3.949 4.170 0.000 0.000 0.242 177 I C 2.825 178.856 176.117 -0.144 0.000 1.088 177 I CA 1.617 62.756 61.300 -0.269 0.000 1.357 177 I CB -1.044 36.743 38.000 -0.354 0.000 1.051 177 I HN 0.482 nan 8.210 nan 0.000 0.409 178 G N 1.368 110.091 108.800 -0.130 0.000 2.418 178 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 178 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 178 G C 1.589 176.437 174.900 -0.086 0.000 1.158 178 G CA 0.486 45.522 45.100 -0.108 0.000 0.771 178 G HN 0.169 nan 8.290 nan 0.000 0.545 179 I N 1.136 121.679 120.570 -0.044 0.000 2.252 179 I HA -0.075 4.095 4.170 0.000 0.000 0.245 179 I C 2.596 178.707 176.117 -0.010 0.000 1.102 179 I CA 0.994 62.278 61.300 -0.027 0.000 1.385 179 I CB -1.213 36.775 38.000 -0.020 0.000 1.064 179 I HN 0.338 nan 8.210 nan 0.000 0.414 180 E N 0.537 120.751 120.200 0.023 0.000 2.051 180 E HA -0.170 4.180 4.350 0.000 0.000 0.192 180 E C 2.415 179.007 176.600 -0.012 0.000 0.991 180 E CA 0.959 57.402 56.400 0.072 0.000 0.799 180 E CB -0.092 29.702 29.700 0.156 0.000 0.748 180 E HN 0.400 nan 8.360 nan 0.000 0.449 181 L N 0.444 121.583 121.223 -0.139 0.000 2.093 181 L HA -0.137 4.203 4.340 0.000 0.000 0.208 181 L C 2.593 179.361 176.870 -0.170 0.000 1.085 181 L CA 0.846 55.500 54.840 -0.309 0.000 0.755 181 L CB -0.543 41.177 42.059 -0.566 0.000 0.904 181 L HN 0.160 nan 8.230 nan 0.000 0.435 182 A N 0.470 123.218 122.820 -0.120 0.000 1.902 182 A HA -0.128 4.192 4.320 0.000 0.000 0.217 182 A C 2.389 179.935 177.584 -0.064 0.000 1.181 182 A CA 1.788 53.776 52.037 -0.082 0.000 0.623 182 A CB -1.110 17.845 19.000 -0.076 0.000 0.818 182 A HN 0.439 nan 8.150 nan 0.000 0.443 183 G N 0.509 109.280 108.800 -0.050 0.000 2.404 183 G HA2 -0.075 3.885 3.960 0.000 0.000 0.215 183 G HA3 -0.075 3.885 3.960 0.000 0.000 0.215 183 G C 1.501 176.324 174.900 -0.128 0.000 1.174 183 G CA 1.273 46.345 45.100 -0.047 0.000 0.780 183 G HN 0.777 nan 8.290 nan 0.000 0.537 184 L N -1.047 120.085 121.223 -0.152 0.000 2.056 184 L HA 0.206 4.546 4.340 0.000 0.000 0.207 184 L C 2.425 178.934 176.870 -0.601 0.000 1.078 184 L CA 0.938 55.517 54.840 -0.435 0.000 0.749 184 L CB -1.012 40.886 42.059 -0.268 0.000 0.901 184 L HN -0.023 nan 8.230 nan 0.000 0.433 185 L N 0.097 121.241 121.223 -0.132 0.000 2.042 185 L HA -0.140 4.200 4.340 0.000 0.000 0.210 185 L C 2.926 179.819 176.870 0.038 0.000 1.076 185 L CA 1.737 56.636 54.840 0.099 0.000 0.749 185 L CB -1.149 41.002 42.059 0.154 0.000 0.893 185 L HN 0.455 nan 8.230 nan 0.000 0.432 186 R N -0.223 120.253 120.500 -0.040 0.000 2.073 186 R HA -0.075 4.265 4.340 0.000 0.000 0.229 186 R C 2.379 178.658 176.300 -0.036 0.000 1.120 186 R CA 1.582 57.667 56.100 -0.024 0.000 0.967 186 R CB -0.468 29.809 30.300 -0.039 0.000 0.862 186 R HN 0.473 nan 8.270 nan 0.000 0.436 187 S N -0.321 115.300 115.700 -0.131 0.000 2.419 187 S HA -0.103 4.367 4.470 0.000 0.000 0.233 187 S C 1.730 176.363 174.600 0.055 0.000 1.016 187 S CA 1.030 59.167 58.200 -0.104 0.000 0.974 187 S CB -0.556 62.535 63.200 -0.182 0.000 0.786 187 S HN 0.383 nan 8.310 nan 0.000 0.492 188 F N 1.862 121.868 119.950 0.093 0.000 2.811 188 F HA 0.289 4.816 4.527 0.000 0.000 0.301 188 F C 2.037 177.890 175.800 0.089 0.000 1.151 188 F CA -0.077 57.995 58.000 0.121 0.000 1.412 188 F CB -0.169 38.966 39.000 0.227 0.000 1.113 188 F HN 0.451 nan 8.300 nan 0.000 0.579 189 G N 0.328 109.253 108.800 0.208 0.000 2.157 189 G HA2 -0.257 3.703 3.960 0.000 0.000 0.239 189 G HA3 -0.257 3.703 3.960 0.000 0.000 0.239 189 G C 0.151 175.108 174.900 0.095 0.000 0.982 189 G CA -0.014 45.159 45.100 0.121 0.000 0.650 189 G HN 0.227 nan 8.290 nan 0.000 0.527 190 S N 1.029 116.799 115.700 0.117 0.000 2.585 190 S HA 0.424 4.894 4.470 0.000 0.000 0.273 190 S C 0.423 175.053 174.600 0.050 0.000 1.339 190 S CA -0.419 57.827 58.200 0.077 0.000 1.028 190 S CB 0.992 64.249 63.200 0.093 0.000 0.906 190 S HN 0.353 nan 8.310 nan 0.000 0.528 191 E N 1.878 122.104 120.200 0.043 0.000 2.344 191 E HA 0.288 4.638 4.350 0.000 0.000 0.270 191 E C -0.274 176.363 176.600 0.061 0.000 1.021 191 E CA -0.202 56.225 56.400 0.045 0.000 0.887 191 E CB 0.807 30.536 29.700 0.048 0.000 0.997 191 E HN 0.428 nan 8.360 nan 0.000 0.429 192 V N -0.258 119.679 119.914 0.038 0.000 2.686 192 V HA 0.727 4.847 4.120 0.000 0.000 0.306 192 V C -0.291 175.803 176.094 0.000 0.000 1.065 192 V CA -0.859 61.446 62.300 0.009 0.000 0.894 192 V CB 1.834 33.644 31.823 -0.022 0.000 1.004 192 V HN 0.637 nan 8.190 nan 0.000 0.424 193 T N 2.363 116.897 114.554 -0.033 0.000 2.881 193 T HA 0.727 5.077 4.350 0.000 0.000 0.290 193 T C -0.749 173.859 174.700 -0.152 0.000 1.000 193 T CA -0.162 61.913 62.100 -0.042 0.000 0.978 193 T CB 1.553 70.472 68.868 0.085 0.000 0.997 193 T HN 2.067 nan 8.240 nan 0.000 0.443 194 V N 5.150 124.993 119.914 -0.119 0.000 2.513 194 V HA 0.903 5.023 4.120 0.000 0.000 0.299 194 V C -0.273 175.731 176.094 -0.149 0.000 1.035 194 V CA -0.392 61.816 62.300 -0.153 0.000 0.889 194 V CB 1.240 32.997 31.823 -0.110 0.000 0.988 194 V HN 1.148 nan 8.190 nan 0.000 0.440 195 V N 3.163 122.947 119.914 -0.216 0.000 2.815 195 V HA 1.087 5.207 4.120 0.000 0.000 0.314 195 V C -0.045 176.010 176.094 -0.066 0.000 1.064 195 V CA -0.157 62.010 62.300 -0.222 0.000 0.952 195 V CB 1.255 32.722 31.823 -0.594 0.000 1.020 195 V HN 2.124 nan 8.190 nan 0.000 0.439 196 A N 2.904 125.744 122.820 0.034 0.000 2.540 196 A HA 0.687 5.007 4.320 0.000 0.000 0.297 196 A C -0.124 177.514 177.584 0.090 0.000 1.056 196 A CA -0.183 51.887 52.037 0.055 0.000 0.700 196 A CB 1.684 20.701 19.000 0.029 0.000 1.280 196 A HN 1.486 nan 8.150 nan 0.000 0.398 197 L N 0.885 122.144 121.223 0.060 0.000 2.131 197 L HA 0.068 4.408 4.340 0.000 0.000 0.210 197 L C 0.840 177.676 176.870 -0.057 0.000 1.092 197 L CA 2.045 56.899 54.840 0.024 0.000 0.759 197 L CB -0.461 41.599 42.059 0.002 0.000 0.903 197 L HN 0.792 nan 8.230 nan 0.000 0.435 198 E N -0.245 119.882 120.200 -0.122 0.000 2.342 198 E HA 0.079 4.429 4.350 0.000 0.000 0.257 198 E C 0.712 177.238 176.600 -0.123 0.000 1.150 198 E CA 0.485 56.721 56.400 -0.274 0.000 0.926 198 E CB 0.259 29.640 29.700 -0.532 0.000 1.074 198 E HN 0.293 nan 8.360 nan 0.000 0.449 199 D N 0.121 120.450 120.400 -0.118 0.000 2.336 199 D HA -0.024 4.616 4.640 0.000 0.000 0.229 199 D C -0.191 176.145 176.300 0.060 0.000 1.061 199 D CA 0.042 54.042 54.000 0.001 0.000 0.875 199 D CB -0.098 40.717 40.800 0.025 0.000 0.904 199 D HN 0.375 nan 8.370 nan 0.000 0.525 200 R N -1.342 119.212 120.500 0.090 0.000 2.709 200 R HA 0.430 4.770 4.340 0.000 0.000 0.270 200 R C -1.165 175.220 176.300 0.140 0.000 1.038 200 R CA -1.003 55.171 56.100 0.123 0.000 0.872 200 R CB 0.498 30.897 30.300 0.166 0.000 1.259 200 R HN -0.084 nan 8.270 nan 0.000 0.473 201 L N 1.674 122.959 121.223 0.104 0.000 2.417 201 L HA 0.251 4.591 4.340 0.000 0.000 0.268 201 L C 0.135 177.092 176.870 0.144 0.000 1.158 201 L CA -0.859 54.037 54.840 0.093 0.000 0.819 201 L CB 0.284 42.367 42.059 0.040 0.000 1.112 201 L HN 0.579 nan 8.230 nan 0.000 0.458 202 L N 2.582 123.903 121.223 0.163 0.000 3.713 202 L HA -0.270 4.070 4.340 0.000 0.000 0.499 202 L C 0.677 177.764 176.870 0.362 0.000 1.281 202 L CA 0.611 55.599 54.840 0.247 0.000 0.796 202 L CB -1.506 40.590 42.059 0.062 0.000 1.535 202 L HN 0.573 nan 8.230 nan 0.000 0.851 203 F N 0.326 120.375 119.950 0.165 0.000 2.202 203 F HA -0.223 4.304 4.527 0.000 0.000 0.301 203 F C 2.100 177.969 175.800 0.115 0.000 1.082 203 F CA 2.150 60.221 58.000 0.118 0.000 1.313 203 F CB 0.182 39.231 39.000 0.082 0.000 1.024 203 F HN 0.517 nan 8.300 nan 0.000 0.495 204 Q N -0.482 119.412 119.800 0.155 0.000 2.369 204 Q HA -0.039 4.301 4.340 0.000 0.000 0.206 204 Q C 0.322 176.180 176.000 -0.236 0.000 0.963 204 Q CA 0.623 56.378 55.803 -0.080 0.000 0.894 204 Q CB -0.491 28.212 28.738 -0.058 0.000 0.965 204 Q HN 0.293 nan 8.270 nan 0.000 0.475 205 F N 1.156 121.086 119.950 -0.034 0.000 2.368 205 F HA 0.137 4.664 4.527 0.000 0.000 0.315 205 F C 1.157 176.894 175.800 -0.106 0.000 1.145 205 F CA -1.176 56.806 58.000 -0.029 0.000 1.095 205 F CB 0.364 39.374 39.000 0.016 0.000 1.286 205 F HN -0.153 nan 8.300 nan 0.000 0.530 206 D N 1.948 122.363 120.400 0.027 0.000 2.455 206 D HA 0.006 4.646 4.640 0.000 0.000 0.241 206 D C -1.753 174.508 176.300 -0.065 0.000 1.138 206 D CA -1.026 52.874 54.000 -0.166 0.000 0.877 206 D CB 1.461 41.964 40.800 -0.495 0.000 1.187 206 D HN 0.145 nan 8.370 nan 0.000 0.451 207 P HA -0.158 nan 4.420 nan 0.000 0.217 207 P C 1.598 178.883 177.300 -0.024 0.000 1.148 207 P CA 0.502 63.580 63.100 -0.037 0.000 0.828 207 P CB 0.184 31.855 31.700 -0.048 0.000 0.783 208 L N -1.397 119.799 121.223 -0.045 0.000 2.083 208 L HA -0.157 4.183 4.340 0.000 0.000 0.209 208 L C 1.911 178.775 176.870 -0.010 0.000 1.083 208 L CA 1.802 56.627 54.840 -0.025 0.000 0.752 208 L CB -0.857 41.186 42.059 -0.027 0.000 0.899 208 L HN -0.008 nan 8.230 nan 0.000 0.433 209 L N -0.376 120.847 121.223 -0.000 0.000 2.027 209 L HA -0.131 4.209 4.340 0.000 0.000 0.206 209 L C 2.748 179.618 176.870 0.001 0.000 1.074 209 L CA 1.531 56.378 54.840 0.012 0.000 0.745 209 L CB -1.091 41.004 42.059 0.060 0.000 0.898 209 L HN 0.136 nan 8.230 nan 0.000 0.433 210 S N -0.392 115.323 115.700 0.025 0.000 2.370 210 S HA -0.225 4.245 4.470 0.000 0.000 0.226 210 S C 2.127 176.735 174.600 0.014 0.000 1.033 210 S CA 1.249 59.468 58.200 0.032 0.000 1.011 210 S CB -0.461 62.782 63.200 0.071 0.000 0.852 210 S HN 0.518 nan 8.310 nan 0.000 0.457 211 A N 0.826 123.649 122.820 0.006 0.000 1.897 211 A HA -0.088 4.232 4.320 0.000 0.000 0.215 211 A C 2.356 179.931 177.584 -0.015 0.000 1.181 211 A CA 2.073 54.107 52.037 -0.005 0.000 0.620 211 A CB -1.266 17.730 19.000 -0.008 0.000 0.821 211 A HN 0.532 nan 8.150 nan 0.000 0.443 212 T N -1.263 113.280 114.554 -0.019 0.000 2.942 212 T HA -0.078 4.272 4.350 0.000 0.000 0.265 212 T C 1.809 176.492 174.700 -0.028 0.000 1.062 212 T CA 1.405 63.489 62.100 -0.028 0.000 1.139 212 T CB -0.424 68.423 68.868 -0.036 0.000 0.883 212 T HN 0.237 nan 8.240 nan 0.000 0.468 213 L N 1.815 123.022 121.223 -0.027 0.000 2.012 213 L HA 0.163 4.503 4.340 0.000 0.000 0.210 213 L C 2.792 179.653 176.870 -0.016 0.000 1.073 213 L CA 2.244 57.067 54.840 -0.028 0.000 0.748 213 L CB -1.381 40.653 42.059 -0.041 0.000 0.891 213 L HN 0.329 nan 8.230 nan 0.000 0.431 214 A N -0.707 122.107 122.820 -0.010 0.000 1.892 214 A HA -0.279 4.041 4.320 0.000 0.000 0.218 214 A C 2.165 179.753 177.584 0.006 0.000 1.188 214 A CA 2.088 54.124 52.037 -0.002 0.000 0.631 214 A CB -0.772 18.222 19.000 -0.009 0.000 0.822 214 A HN 0.652 nan 8.150 nan 0.000 0.447 215 E N -0.285 119.909 120.200 -0.010 0.000 2.051 215 E HA -0.198 4.152 4.350 0.000 0.000 0.192 215 E C 1.923 178.530 176.600 0.012 0.000 0.991 215 E CA 1.257 57.653 56.400 -0.008 0.000 0.799 215 E CB -0.231 29.452 29.700 -0.028 0.000 0.748 215 E HN 0.570 nan 8.360 nan 0.000 0.449 216 N N 0.496 119.189 118.700 -0.011 0.000 2.120 216 N HA -0.135 4.605 4.740 0.000 0.000 0.188 216 N C 1.797 177.300 175.510 -0.013 0.000 1.024 216 N CA 1.240 54.275 53.050 -0.025 0.000 0.852 216 N CB -0.179 38.287 38.487 -0.035 0.000 1.003 216 N HN 0.175 nan 8.380 nan 0.000 0.424 217 M N -0.615 118.985 119.600 -0.000 0.000 2.175 217 M HA -0.142 4.338 4.480 0.000 0.000 0.264 217 M C 2.052 178.353 176.300 0.002 0.000 1.063 217 M CA 1.253 56.550 55.300 -0.006 0.000 1.119 217 M CB -0.336 32.260 32.600 -0.008 0.000 1.377 217 M HN 0.237 nan 8.290 nan 0.000 0.415 218 H N 0.307 119.344 119.070 -0.056 0.000 2.321 218 H HA -0.058 4.498 4.556 0.000 0.000 0.300 218 H C 1.947 177.238 175.328 -0.062 0.000 1.087 218 H CA 2.134 58.146 56.048 -0.060 0.000 1.319 218 H CB 0.077 29.803 29.762 -0.061 0.000 1.379 218 H HN 0.327 nan 8.280 nan 0.000 0.501 219 A N 0.347 123.181 122.820 0.023 0.000 2.019 219 A HA -0.194 4.126 4.320 0.000 0.000 0.219 219 A C 2.212 179.741 177.584 -0.092 0.000 1.164 219 A CA 1.551 53.562 52.037 -0.044 0.000 0.644 219 A CB -0.584 18.400 19.000 -0.028 0.000 0.805 219 A HN 0.795 nan 8.150 nan 0.000 0.449 220 Q N -1.225 118.526 119.800 -0.081 0.000 2.403 220 Q HA 0.326 4.666 4.340 0.000 0.000 0.203 220 Q C 0.910 176.854 176.000 -0.094 0.000 0.932 220 Q CA 0.897 56.655 55.803 -0.075 0.000 0.945 220 Q CB -0.243 28.461 28.738 -0.057 0.000 1.045 220 Q HN 0.904 nan 8.270 nan 0.000 0.511 221 G N 1.272 109.982 108.800 -0.150 0.000 2.131 221 G HA2 -0.220 3.740 3.960 0.000 0.000 0.223 221 G HA3 -0.220 3.740 3.960 0.000 0.000 0.223 221 G C -0.068 174.754 174.900 -0.130 0.000 0.990 221 G CA 0.088 45.086 45.100 -0.170 0.000 0.671 221 G HN 0.383 nan 8.290 nan 0.000 0.521 222 I N 0.978 121.482 120.570 -0.109 0.000 2.441 222 I HA 0.283 4.453 4.170 0.000 0.000 0.287 222 I C 0.771 176.843 176.117 -0.076 0.000 1.049 222 I CA -0.264 60.994 61.300 -0.071 0.000 1.381 222 I CB 1.245 39.213 38.000 -0.052 0.000 1.409 222 I HN 0.250 nan 8.210 nan 0.000 0.523 223 E N 5.510 125.677 120.200 -0.054 0.000 2.200 223 E HA 0.299 4.649 4.350 0.000 0.000 0.283 223 E C -0.761 175.793 176.600 -0.077 0.000 1.015 223 E CA -0.530 55.835 56.400 -0.059 0.000 0.819 223 E CB 1.051 30.745 29.700 -0.011 0.000 1.081 223 E HN 0.677 nan 8.360 nan 0.000 0.397 224 T N 1.498 115.966 114.554 -0.142 0.000 2.887 224 T HA 0.386 4.736 4.350 0.000 0.000 0.288 224 T C -0.666 173.836 174.700 -0.331 0.000 1.021 224 T CA -0.910 61.102 62.100 -0.146 0.000 1.000 224 T CB 1.281 70.110 68.868 -0.066 0.000 1.034 224 T HN 0.445 nan 8.240 nan 0.000 0.467 225 H N 2.583 121.600 119.070 -0.089 0.000 2.800 225 H HA 0.419 4.975 4.556 0.000 0.000 0.322 225 H C -0.838 174.500 175.328 0.018 0.000 0.979 225 H CA -0.682 55.341 56.048 -0.042 0.000 1.277 225 H CB 1.492 31.148 29.762 -0.177 0.000 1.484 225 H HN 0.307 nan 8.280 nan 0.000 0.512 226 L N 1.739 123.045 121.223 0.137 0.000 2.399 226 L HA 0.112 4.452 4.340 0.000 0.000 0.265 226 L C 1.104 178.066 176.870 0.154 0.000 1.089 226 L CA -0.064 54.843 54.840 0.111 0.000 0.802 226 L CB 0.227 42.320 42.059 0.057 0.000 1.180 226 L HN 0.704 nan 8.230 nan 0.000 0.454 227 E N 0.945 121.204 120.200 0.098 0.000 2.228 227 E HA -0.317 4.033 4.350 0.000 0.000 0.213 227 E C -0.887 175.790 176.600 0.129 0.000 1.282 227 E CA 0.536 56.979 56.400 0.072 0.000 0.707 227 E CB -1.239 28.482 29.700 0.035 0.000 1.150 227 E HN 0.329 nan 8.360 nan 0.000 0.362 228 F N 0.475 120.431 119.950 0.010 0.000 2.500 228 F HA 0.506 5.033 4.527 0.000 0.000 0.349 228 F C -0.213 175.589 175.800 0.004 0.000 1.127 228 F CA -0.558 57.450 58.000 0.012 0.000 0.998 228 F CB 0.906 39.925 39.000 0.032 0.000 1.237 228 F HN 0.049 nan 8.300 nan 0.000 0.439 229 A N 6.374 129.157 122.820 -0.062 0.000 2.253 229 A HA 0.555 4.875 4.320 0.000 0.000 0.316 229 A C -0.751 176.813 177.584 -0.034 0.000 1.327 229 A CA -0.620 51.428 52.037 0.018 0.000 0.917 229 A CB 0.730 19.717 19.000 -0.021 0.000 1.162 229 A HN 0.877 nan 8.150 nan 0.000 0.535 230 V N 2.892 122.903 119.914 0.162 0.000 2.572 230 V HA 0.515 4.635 4.120 0.000 0.000 0.291 230 V C 0.845 177.015 176.094 0.125 0.000 1.039 230 V CA 0.719 63.120 62.300 0.170 0.000 1.055 230 V CB 0.926 32.909 31.823 0.267 0.000 0.969 230 V HN 1.175 nan 8.190 nan 0.000 0.482 231 A N 4.890 127.753 122.820 0.072 0.000 1.973 231 A HA 0.862 5.182 4.320 0.000 0.000 0.210 231 A C 1.103 178.744 177.584 0.095 0.000 1.200 231 A CA 0.701 52.772 52.037 0.056 0.000 0.707 231 A CB -0.042 18.962 19.000 0.006 0.000 0.862 231 A HN 2.064 nan 8.150 nan 0.000 0.461 232 A N -1.188 121.702 122.820 0.116 0.000 2.612 232 A HA 0.652 4.972 4.320 0.000 0.000 0.293 232 A C -1.540 176.130 177.584 0.142 0.000 1.075 232 A CA -0.507 51.609 52.037 0.131 0.000 0.680 232 A CB 0.502 19.551 19.000 0.082 0.000 1.279 232 A HN 0.279 nan 8.150 nan 0.000 0.411 233 L N 0.958 122.274 121.223 0.154 0.000 2.322 233 L HA 0.630 4.970 4.340 0.000 0.000 0.281 233 L C -0.243 176.681 176.870 0.091 0.000 1.014 233 L CA -0.327 54.581 54.840 0.113 0.000 0.815 233 L CB 1.819 43.947 42.059 0.115 0.000 1.247 233 L HN 0.797 nan 8.230 nan 0.000 0.421 234 E N 2.168 122.411 120.200 0.072 0.000 2.266 234 E HA 0.424 4.774 4.350 0.000 0.000 0.268 234 E C -1.003 175.625 176.600 0.047 0.000 0.879 234 E CA -1.029 55.404 56.400 0.055 0.000 0.762 234 E CB 2.810 32.536 29.700 0.044 0.000 1.199 234 E HN 0.377 nan 8.360 nan 0.000 0.422 235 R N 2.090 122.613 120.500 0.038 0.000 2.401 235 R HA 0.065 4.405 4.340 0.000 0.000 0.299 235 R C -0.553 175.756 176.300 0.015 0.000 1.064 235 R CA 0.252 56.369 56.100 0.028 0.000 1.000 235 R CB 0.218 30.533 30.300 0.025 0.000 0.973 235 R HN 0.571 nan 8.270 nan 0.000 0.438 236 D N 2.227 122.630 120.400 0.005 0.000 2.616 236 D HA 0.433 5.073 4.640 0.000 0.000 0.260 236 D C -0.952 175.338 176.300 -0.016 0.000 1.158 236 D CA -0.903 53.091 54.000 -0.010 0.000 1.085 236 D CB 0.688 41.473 40.800 -0.025 0.000 1.222 236 D HN 0.460 nan 8.370 nan 0.000 0.626 237 A N -1.107 121.698 122.820 -0.024 0.000 2.488 237 A HA 0.454 4.774 4.320 0.000 0.000 0.249 237 A C 1.230 178.792 177.584 -0.037 0.000 1.083 237 A CA 0.692 52.714 52.037 -0.026 0.000 0.768 237 A CB -0.980 18.003 19.000 -0.028 0.000 1.017 237 A HN 1.379 nan 8.150 nan 0.000 0.496 238 Q N 0.056 119.837 119.800 -0.030 0.000 2.406 238 Q HA 0.068 4.408 4.340 0.000 0.000 0.236 238 Q C 1.536 177.514 176.000 -0.037 0.000 0.799 238 Q CA 2.714 58.496 55.803 -0.035 0.000 1.286 238 Q CB -2.288 26.424 28.738 -0.045 0.000 1.615 238 Q HN 3.183 nan 8.270 nan 0.000 0.621 239 G N -3.132 105.652 108.800 -0.027 0.000 2.399 239 G HA2 0.701 4.661 3.960 0.000 0.000 0.256 239 G HA3 0.701 4.661 3.960 0.000 0.000 0.256 239 G C -0.184 174.723 174.900 0.012 0.000 1.236 239 G CA 0.782 45.877 45.100 -0.009 0.000 0.914 239 G HN 1.847 nan 8.290 nan 0.000 0.482 240 T N -1.071 113.514 114.554 0.053 0.000 2.893 240 T HA 0.711 5.061 4.350 0.000 0.000 0.291 240 T C -0.621 174.163 174.700 0.141 0.000 1.028 240 T CA 0.119 62.266 62.100 0.077 0.000 0.995 240 T CB 1.853 70.763 68.868 0.071 0.000 1.051 240 T HN 0.737 nan 8.240 nan 0.000 0.470 241 T N 4.631 119.249 114.554 0.107 0.000 2.824 241 T HA 0.533 4.883 4.350 0.000 0.000 0.280 241 T C -0.270 174.515 174.700 0.142 0.000 0.995 241 T CA -0.758 61.415 62.100 0.122 0.000 1.009 241 T CB 0.744 69.644 68.868 0.055 0.000 0.955 241 T HN 0.534 nan 8.240 nan 0.000 0.452 242 L N 3.245 124.583 121.223 0.193 0.000 2.265 242 L HA 0.506 4.846 4.340 0.000 0.000 0.288 242 L C -0.434 176.552 176.870 0.193 0.000 1.058 242 L CA -0.884 54.050 54.840 0.158 0.000 0.809 242 L CB 1.025 43.156 42.059 0.119 0.000 1.179 242 L HN 0.341 nan 8.230 nan 0.000 0.429 243 V N 2.951 122.949 119.914 0.140 0.000 2.370 243 V HA 0.508 4.628 4.120 0.000 0.000 0.283 243 V C 0.652 176.754 176.094 0.012 0.000 1.023 243 V CA -0.569 61.776 62.300 0.076 0.000 0.857 243 V CB 1.425 33.275 31.823 0.044 0.000 0.985 243 V HN 0.919 nan 8.190 nan 0.000 0.443 244 A N 3.963 126.685 122.820 -0.163 0.000 2.287 244 A HA 0.433 4.753 4.320 0.000 0.000 0.273 244 A C 0.954 178.397 177.584 -0.234 0.000 1.091 244 A CA -0.409 51.367 52.037 -0.436 0.000 0.817 244 A CB 0.377 18.733 19.000 -1.072 0.000 1.069 244 A HN 0.948 nan 8.150 nan 0.000 0.492 245 Q N -0.016 119.657 119.800 -0.211 0.000 2.291 245 Q HA 0.008 4.348 4.340 0.000 0.000 0.211 245 Q C -0.511 175.417 176.000 -0.121 0.000 0.925 245 Q CA 0.854 56.584 55.803 -0.122 0.000 0.949 245 Q CB -0.147 28.543 28.738 -0.080 0.000 1.015 245 Q HN 0.720 nan 8.270 nan 0.000 0.477 246 D N -1.271 119.032 120.400 -0.161 0.000 2.513 246 D HA 0.163 4.803 4.640 0.000 0.000 0.222 246 D C 1.073 177.316 176.300 -0.095 0.000 1.210 246 D CA 0.204 54.135 54.000 -0.115 0.000 0.825 246 D CB 0.338 41.069 40.800 -0.115 0.000 1.037 246 D HN 0.299 nan 8.370 nan 0.000 0.506 247 G N 0.390 109.131 108.800 -0.098 0.000 2.217 247 G HA2 -0.291 3.669 3.960 0.000 0.000 0.246 247 G HA3 -0.291 3.669 3.960 0.000 0.000 0.246 247 G C 0.522 175.390 174.900 -0.054 0.000 0.990 247 G CA 0.244 45.307 45.100 -0.061 0.000 0.627 247 G HN 0.436 nan 8.290 nan 0.000 0.522 248 T N 2.231 116.732 114.554 -0.088 0.000 2.866 248 T HA 0.358 4.708 4.350 0.000 0.000 0.293 248 T C 0.648 175.362 174.700 0.023 0.000 1.005 248 T CA 0.512 62.589 62.100 -0.038 0.000 1.162 248 T CB 0.551 69.379 68.868 -0.066 0.000 0.968 248 T HN 0.489 nan 8.240 nan 0.000 0.530 249 R N 1.258 121.789 120.500 0.052 0.000 2.387 249 R HA 0.636 4.976 4.340 0.000 0.000 0.314 249 R C -0.339 176.008 176.300 0.078 0.000 0.958 249 R CA -0.622 55.519 56.100 0.069 0.000 0.846 249 R CB 1.310 31.629 30.300 0.031 0.000 1.147 249 R HN 0.539 nan 8.270 nan 0.000 0.447 250 L N 1.107 122.402 121.223 0.120 0.000 2.318 250 L HA 0.730 5.071 4.340 0.000 0.000 0.277 250 L C 0.621 177.509 176.870 0.030 0.000 1.008 250 L CA 0.168 55.071 54.840 0.106 0.000 0.846 250 L CB -0.112 42.042 42.059 0.159 0.000 1.220 250 L HN 1.032 nan 8.230 nan 0.000 0.423 251 E N 1.383 121.461 120.200 -0.203 0.000 8.880 251 E HA 0.207 4.557 4.350 0.000 0.000 0.183 251 E C 0.895 177.157 176.600 -0.564 0.000 1.450 251 E CA 1.017 57.087 56.400 -0.550 0.000 2.521 251 E CB -1.216 27.842 29.700 -1.071 0.000 1.229 251 E HN 2.696 nan 8.360 nan 0.000 0.443 252 G N 0.274 108.704 108.800 -0.617 0.000 3.986 252 G HA2 0.605 4.565 3.960 0.000 0.000 0.343 252 G HA3 0.605 4.565 3.960 0.000 0.000 0.343 252 G C -0.534 174.173 174.900 -0.321 0.000 1.413 252 G CA -0.244 44.650 45.100 -0.343 0.000 1.143 252 G HN 0.722 nan 8.290 nan 0.000 0.488 253 F N 1.010 120.929 119.950 -0.052 0.000 2.445 253 F HA 0.217 4.744 4.527 0.000 0.000 0.359 253 F C 1.402 177.167 175.800 -0.058 0.000 1.101 253 F CA -0.919 57.044 58.000 -0.062 0.000 1.177 253 F CB 1.361 40.312 39.000 -0.082 0.000 1.110 253 F HN 0.269 nan 8.300 nan 0.000 0.522 254 D N 0.922 121.392 120.400 0.117 0.000 2.170 254 D HA -0.192 4.448 4.640 0.000 0.000 0.193 254 D C 0.565 176.886 176.300 0.035 0.000 1.004 254 D CA 1.476 55.502 54.000 0.044 0.000 0.860 254 D CB 0.259 41.065 40.800 0.010 0.000 0.931 254 D HN 0.335 nan 8.370 nan 0.000 0.448 255 S N -1.163 114.567 115.700 0.050 0.000 2.572 255 S HA 0.498 4.968 4.470 0.000 0.000 0.274 255 S C -1.466 173.089 174.600 -0.075 0.000 1.150 255 S CA -0.806 57.391 58.200 -0.005 0.000 0.944 255 S CB 1.392 64.586 63.200 -0.011 0.000 1.071 255 S HN -0.177 nan 8.310 nan 0.000 0.479 256 V N 6.291 126.130 119.914 -0.125 0.000 2.378 256 V HA 0.543 4.663 4.120 0.000 0.000 0.288 256 V C -0.530 175.385 176.094 -0.299 0.000 1.016 256 V CA -0.530 61.593 62.300 -0.295 0.000 0.840 256 V CB 1.333 32.958 31.823 -0.331 0.000 0.994 256 V HN 0.823 nan 8.190 nan 0.000 0.431 257 I N 3.917 124.297 120.570 -0.317 0.000 2.355 257 I HA 0.341 4.511 4.170 0.000 0.000 0.288 257 I C -0.590 175.381 176.117 -0.244 0.000 0.999 257 I CA -0.375 60.808 61.300 -0.194 0.000 1.163 257 I CB 1.243 39.179 38.000 -0.107 0.000 1.316 257 I HN 0.579 nan 8.210 nan 0.000 0.454 258 W N 5.675 126.952 121.300 -0.039 0.000 2.368 258 W HA 0.424 5.084 4.660 0.000 0.000 0.316 258 W C 0.518 177.009 176.519 -0.046 0.000 1.375 258 W CA -0.297 57.027 57.345 -0.036 0.000 1.261 258 W CB 0.722 30.175 29.460 -0.012 0.000 1.298 258 W HN 0.559 nan 8.180 nan 0.000 0.539 259 A N 3.391 126.317 122.820 0.176 0.000 3.365 259 A HA 0.377 4.697 4.320 0.000 0.000 0.258 259 A C 0.029 177.651 177.584 0.064 0.000 0.964 259 A CA -0.423 51.651 52.037 0.061 0.000 0.988 259 A CB -0.250 18.726 19.000 -0.040 0.000 1.193 259 A HN 0.740 nan 8.150 nan 0.000 0.508 260 V N -2.229 117.758 119.914 0.121 0.000 3.099 260 V HA 0.661 4.782 4.120 0.000 0.000 0.356 260 V C 0.619 176.742 176.094 0.048 0.000 1.364 260 V CA 0.248 62.608 62.300 0.099 0.000 1.229 260 V CB -0.929 30.985 31.823 0.152 0.000 1.227 260 V HN 1.891 nan 8.190 nan 0.000 0.493 261 G N 0.670 109.485 108.800 0.024 0.000 2.498 261 G HA2 0.024 3.984 3.960 0.000 0.000 0.651 261 G HA3 0.024 3.984 3.960 0.000 0.000 0.651 261 G C -0.800 174.111 174.900 0.018 0.000 1.284 261 G CA -0.716 44.393 45.100 0.016 0.000 0.950 261 G HN 0.589 nan 8.290 nan 0.000 0.511 262 R N -0.565 119.952 120.500 0.028 0.000 2.686 262 R HA 0.737 5.077 4.340 0.000 0.000 0.283 262 R C 0.100 176.420 176.300 0.033 0.000 0.978 262 R CA -0.141 55.980 56.100 0.035 0.000 0.897 262 R CB 2.125 32.456 30.300 0.053 0.000 1.192 262 R HN 1.270 nan 8.270 nan 0.000 0.457 263 A N 3.433 126.269 122.820 0.027 0.000 2.312 263 A HA 0.687 5.007 4.320 0.000 0.000 0.328 263 A C -2.408 175.196 177.584 0.034 0.000 1.158 263 A CA -1.877 50.174 52.037 0.024 0.000 0.821 263 A CB 0.618 19.624 19.000 0.010 0.000 1.170 263 A HN 0.370 nan 8.150 nan 0.000 0.490 264 P HA 0.186 nan 4.420 nan 0.000 0.285 264 P C -0.828 176.499 177.300 0.046 0.000 1.259 264 P CA -0.550 62.575 63.100 0.041 0.000 0.794 264 P CB 0.535 32.258 31.700 0.037 0.000 0.940 265 N N 1.803 120.536 118.700 0.054 0.000 3.103 265 N HA 0.050 4.790 4.740 0.000 0.000 0.305 265 N C 0.593 176.149 175.510 0.076 0.000 1.232 265 N CA 0.351 53.442 53.050 0.068 0.000 1.190 265 N CB -0.580 37.949 38.487 0.070 0.000 1.461 265 N HN 0.482 nan 8.380 nan 0.000 0.538 266 T N -3.584 111.013 114.554 0.071 0.000 3.111 266 T HA 0.241 4.591 4.350 0.000 0.000 0.284 266 T C 1.404 176.150 174.700 0.076 0.000 0.983 266 T CA -0.344 61.801 62.100 0.075 0.000 0.900 266 T CB 0.455 69.356 68.868 0.056 0.000 1.132 266 T HN 0.096 nan 8.240 nan 0.000 0.531 267 R N 1.308 121.853 120.500 0.074 0.000 2.073 267 R HA 0.105 4.445 4.340 0.000 0.000 0.229 267 R C 0.477 176.821 176.300 0.073 0.000 1.120 267 R CA 1.361 57.496 56.100 0.059 0.000 0.967 267 R CB -0.054 30.270 30.300 0.041 0.000 0.862 267 R HN 0.258 nan 8.270 nan 0.000 0.436 268 D N -0.092 120.377 120.400 0.114 0.000 2.795 268 D HA 0.097 4.737 4.640 0.000 0.000 0.335 268 D C -0.485 175.969 176.300 0.257 0.000 1.262 268 D CA -0.119 53.959 54.000 0.130 0.000 0.885 268 D CB 0.616 41.443 40.800 0.045 0.000 1.047 268 D HN -0.057 nan 8.370 nan 0.000 0.500 269 L N 0.277 121.617 121.223 0.194 0.000 3.086 269 L HA 0.433 4.773 4.340 0.000 0.000 0.274 269 L C 1.406 178.429 176.870 0.255 0.000 1.184 269 L CA 0.806 55.767 54.840 0.201 0.000 1.002 269 L CB 0.287 42.451 42.059 0.174 0.000 1.383 269 L HN 0.329 nan 8.230 nan 0.000 0.582 270 G N 0.266 109.184 108.800 0.196 0.000 2.153 270 G HA2 -0.329 3.631 3.960 0.000 0.000 0.252 270 G HA3 -0.329 3.631 3.960 0.000 0.000 0.252 270 G C 1.041 176.040 174.900 0.166 0.000 0.994 270 G CA 0.745 45.963 45.100 0.197 0.000 0.698 270 G HN 0.398 nan 8.290 nan 0.000 0.521 271 L N -0.638 120.644 121.223 0.098 0.000 2.079 271 L HA -0.097 4.243 4.340 0.000 0.000 0.210 271 L C 2.811 179.627 176.870 -0.089 0.000 1.081 271 L CA 2.096 56.895 54.840 -0.068 0.000 0.752 271 L CB -0.407 41.626 42.059 -0.044 0.000 0.896 271 L HN 0.354 nan 8.230 nan 0.000 0.433 272 E N 0.758 120.942 120.200 -0.027 0.000 2.051 272 E HA -0.185 4.165 4.350 0.000 0.000 0.192 272 E C 2.305 178.885 176.600 -0.033 0.000 0.991 272 E CA 1.354 57.737 56.400 -0.029 0.000 0.799 272 E CB -0.531 29.165 29.700 -0.006 0.000 0.748 272 E HN 0.427 nan 8.360 nan 0.000 0.449 273 A N 0.921 123.738 122.820 -0.005 0.000 1.978 273 A HA -0.034 4.286 4.320 0.000 0.000 0.220 273 A C 2.259 179.825 177.584 -0.029 0.000 1.170 273 A CA 1.793 53.831 52.037 0.003 0.000 0.636 273 A CB -0.626 18.400 19.000 0.045 0.000 0.810 273 A HN 0.276 nan 8.150 nan 0.000 0.448 274 A N -2.028 120.743 122.820 -0.083 0.000 2.238 274 A HA 0.432 4.752 4.320 0.000 0.000 0.210 274 A C 1.722 179.194 177.584 -0.186 0.000 1.179 274 A CA 1.107 53.038 52.037 -0.177 0.000 0.827 274 A CB -0.765 17.958 19.000 -0.463 0.000 0.856 274 A HN 1.871 nan 8.150 nan 0.000 0.488 275 G N -0.433 108.283 108.800 -0.140 0.000 2.176 275 G HA2 -0.228 3.732 3.960 0.000 0.000 0.252 275 G HA3 -0.228 3.732 3.960 0.000 0.000 0.252 275 G C 0.001 174.818 174.900 -0.137 0.000 1.024 275 G CA 0.355 45.388 45.100 -0.112 0.000 0.755 275 G HN 0.481 nan 8.290 nan 0.000 0.507 276 I N 1.121 121.579 120.570 -0.187 0.000 2.371 276 I HA 0.227 4.397 4.170 0.000 0.000 0.290 276 I C 0.641 176.685 176.117 -0.122 0.000 1.028 276 I CA -0.758 60.425 61.300 -0.195 0.000 1.345 276 I CB 0.851 38.665 38.000 -0.311 0.000 1.407 276 I HN 0.025 nan 8.210 nan 0.000 0.501 277 E N 5.791 125.936 120.200 -0.093 0.000 2.414 277 E HA 0.226 4.576 4.350 0.000 0.000 0.263 277 E C -0.749 175.820 176.600 -0.052 0.000 1.000 277 E CA 0.164 56.527 56.400 -0.062 0.000 0.914 277 E CB 1.389 31.059 29.700 -0.049 0.000 0.948 277 E HN 0.255 nan 8.360 nan 0.000 0.444 278 V N 3.201 123.092 119.914 -0.037 0.000 2.851 278 V HA 0.140 4.260 4.120 0.000 0.000 0.307 278 V C -0.120 175.964 176.094 -0.017 0.000 1.129 278 V CA -0.978 61.308 62.300 -0.024 0.000 0.932 278 V CB 2.090 33.902 31.823 -0.019 0.000 1.024 278 V HN 0.565 nan 8.190 nan 0.000 0.426 279 Q N 1.024 120.817 119.800 -0.012 0.000 2.317 279 Q HA 0.275 4.615 4.340 0.000 0.000 0.229 279 Q C 1.342 177.339 176.000 -0.005 0.000 0.984 279 Q CA 0.200 55.997 55.803 -0.009 0.000 0.911 279 Q CB 1.055 29.788 28.738 -0.008 0.000 1.217 279 Q HN 0.970 nan 8.270 nan 0.000 0.501 280 S N 0.844 116.540 115.700 -0.005 0.000 2.383 280 S HA -0.209 4.261 4.470 0.000 0.000 0.229 280 S C 1.254 175.853 174.600 -0.002 0.000 1.030 280 S CA 1.610 59.808 58.200 -0.004 0.000 1.002 280 S CB -0.422 62.775 63.200 -0.005 0.000 0.829 280 S HN 0.810 nan 8.310 nan 0.000 0.467 281 N N 1.949 120.648 118.700 -0.001 0.000 2.571 281 N HA 0.146 4.886 4.740 0.000 0.000 0.189 281 N C 1.266 176.780 175.510 0.006 0.000 1.154 281 N CA 0.877 53.929 53.050 0.002 0.000 0.907 281 N CB -0.947 37.542 38.487 0.004 0.000 0.977 281 N HN 0.697 nan 8.380 nan 0.000 0.449 282 G N -0.927 107.877 108.800 0.006 0.000 2.184 282 G HA2 -0.286 3.674 3.960 0.000 0.000 0.264 282 G HA3 -0.286 3.674 3.960 0.000 0.000 0.264 282 G C 0.019 174.928 174.900 0.014 0.000 0.975 282 G CA 0.479 45.587 45.100 0.013 0.000 0.642 282 G HN 0.270 nan 8.290 nan 0.000 0.536 283 M N 0.566 120.171 119.600 0.009 0.000 2.243 283 M HA 0.417 4.897 4.480 0.000 0.000 0.341 283 M C 0.635 176.935 176.300 0.001 0.000 1.130 283 M CA -0.289 55.015 55.300 0.007 0.000 1.162 283 M CB 1.137 33.738 32.600 0.001 0.000 1.497 283 M HN -0.043 nan 8.290 nan 0.000 0.456 284 V N 5.707 125.623 119.914 0.003 0.000 2.333 284 V HA 0.277 4.397 4.120 0.000 0.000 0.274 284 V C -2.040 174.047 176.094 -0.011 0.000 1.028 284 V CA -1.611 60.687 62.300 -0.004 0.000 0.851 284 V CB 1.102 32.929 31.823 0.007 0.000 1.000 284 V HN 0.668 nan 8.190 nan 0.000 0.456 285 P HA 0.328 nan 4.420 nan 0.000 0.269 285 P C -0.214 177.076 177.300 -0.016 0.000 1.209 285 P CA 0.128 63.214 63.100 -0.024 0.000 0.776 285 P CB 0.592 32.277 31.700 -0.025 0.000 0.876 286 T N -2.131 112.414 114.554 -0.016 0.000 2.868 286 T HA 0.526 4.876 4.350 0.000 0.000 0.306 286 T C -0.636 174.071 174.700 0.011 0.000 1.224 286 T CA -0.918 61.188 62.100 0.011 0.000 1.012 286 T CB 1.260 70.148 68.868 0.033 0.000 1.221 286 T HN 0.383 nan 8.240 nan 0.000 0.499 287 D N 0.664 121.096 120.400 0.054 0.000 2.447 287 D HA 0.428 5.068 4.640 0.000 0.000 0.265 287 D C 1.654 177.986 176.300 0.053 0.000 1.250 287 D CA -0.268 53.778 54.000 0.076 0.000 1.046 287 D CB 0.092 40.982 40.800 0.150 0.000 1.095 287 D HN 0.740 nan 8.370 nan 0.000 0.555 288 A N -1.141 121.678 122.820 -0.001 0.000 2.178 288 A HA -0.127 4.193 4.320 0.000 0.000 0.218 288 A C 1.051 178.452 177.584 -0.306 0.000 1.157 288 A CA 0.881 52.795 52.037 -0.206 0.000 0.689 288 A CB -0.958 17.805 19.000 -0.394 0.000 0.787 288 A HN 0.558 nan 8.150 nan 0.000 0.465 289 Y N -1.088 119.266 120.300 0.089 0.000 2.681 289 Y HA 0.212 4.762 4.550 0.000 0.000 0.267 289 Y C 0.685 176.663 175.900 0.130 0.000 1.166 289 Y CA -0.182 57.974 58.100 0.093 0.000 1.209 289 Y CB 0.446 38.950 38.460 0.072 0.000 1.161 289 Y HN 0.334 nan 8.280 nan 0.000 0.534 290 Q N -1.444 118.492 119.800 0.226 0.000 2.416 290 Q HA -0.232 4.108 4.340 0.000 0.000 0.235 290 Q C -0.996 175.173 176.000 0.281 0.000 0.773 290 Q CA 0.590 56.527 55.803 0.224 0.000 1.286 290 Q CB -2.175 26.694 28.738 0.218 0.000 1.556 290 Q HN 0.497 nan 8.270 nan 0.000 0.650 291 N N 1.959 120.814 118.700 0.259 0.000 2.497 291 N HA 0.150 4.890 4.740 0.000 0.000 0.271 291 N C 0.864 176.392 175.510 0.030 0.000 1.142 291 N CA 0.812 53.947 53.050 0.142 0.000 0.965 291 N CB 1.023 39.578 38.487 0.115 0.000 1.077 291 N HN 0.399 nan 8.380 nan 0.000 0.462 292 T N -0.908 113.605 114.554 -0.069 0.000 2.753 292 T HA 0.036 4.386 4.350 0.000 0.000 0.309 292 T C 1.392 176.041 174.700 -0.085 0.000 1.043 292 T CA -0.449 61.604 62.100 -0.079 0.000 0.964 292 T CB 0.320 69.115 68.868 -0.122 0.000 1.206 292 T HN 0.560 nan 8.240 nan 0.000 0.528 293 N N -0.176 118.474 118.700 -0.084 0.000 2.515 293 N HA -0.054 4.686 4.740 0.000 0.000 0.185 293 N C 0.484 175.941 175.510 -0.089 0.000 1.109 293 N CA 0.244 53.251 53.050 -0.072 0.000 0.903 293 N CB -0.373 38.076 38.487 -0.063 0.000 0.969 293 N HN 0.519 nan 8.380 nan 0.000 0.450 294 V N 1.441 121.278 119.914 -0.127 0.000 2.417 294 V HA 0.463 4.583 4.120 0.000 0.000 0.291 294 V C -2.662 173.337 176.094 -0.157 0.000 1.024 294 V CA -2.265 59.959 62.300 -0.128 0.000 0.861 294 V CB 1.767 33.506 31.823 -0.140 0.000 0.985 294 V HN -0.084 nan 8.190 nan 0.000 0.436 295 P HA 0.292 nan 4.420 nan 0.000 0.268 295 P C 0.871 178.094 177.300 -0.129 0.000 1.205 295 P CA 1.459 64.493 63.100 -0.111 0.000 0.771 295 P CB 1.058 32.728 31.700 -0.049 0.000 0.858 296 G N 0.986 109.680 108.800 -0.177 0.000 2.179 296 G HA2 -0.182 3.778 3.960 0.000 0.000 0.260 296 G HA3 -0.182 3.778 3.960 0.000 0.000 0.260 296 G C -0.169 174.590 174.900 -0.235 0.000 0.977 296 G CA 0.065 45.110 45.100 -0.091 0.000 0.641 296 G HN 0.571 nan 8.290 nan 0.000 0.533 297 V N 0.439 120.006 119.914 -0.579 0.000 2.540 297 V HA 0.783 4.903 4.120 0.000 0.000 0.302 297 V C -0.427 175.265 176.094 -0.671 0.000 1.035 297 V CA -1.053 61.011 62.300 -0.393 0.000 0.873 297 V CB 1.437 33.151 31.823 -0.181 0.000 0.992 297 V HN 0.296 nan 8.190 nan 0.000 0.428 298 Y N 1.778 122.150 120.300 0.119 0.000 2.576 298 Y HA 0.878 5.428 4.550 0.000 0.000 0.346 298 Y C 0.175 176.132 175.900 0.095 0.000 1.018 298 Y CA -1.001 57.157 58.100 0.097 0.000 1.050 298 Y CB 2.294 40.815 38.460 0.102 0.000 1.280 298 Y HN 0.739 nan 8.280 nan 0.000 0.474 299 A N 2.015 124.971 122.820 0.226 0.000 2.422 299 A HA 0.907 5.227 4.320 0.000 0.000 0.302 299 A C -1.657 176.013 177.584 0.144 0.000 1.041 299 A CA -0.628 51.503 52.037 0.157 0.000 0.708 299 A CB 1.106 20.162 19.000 0.094 0.000 1.257 299 A HN 0.764 nan 8.150 nan 0.000 0.414 300 L N -0.331 120.965 121.223 0.123 0.000 2.389 300 L HA 1.058 5.398 4.340 0.000 0.000 0.249 300 L C 0.557 177.481 176.870 0.091 0.000 1.083 300 L CA 0.020 54.928 54.840 0.113 0.000 0.876 300 L CB 0.714 42.845 42.059 0.119 0.000 1.489 300 L HN 2.365 nan 8.230 nan 0.000 0.412 301 G N -0.052 108.808 108.800 0.099 0.000 2.542 301 G HA2 -0.226 3.734 3.960 0.000 0.000 0.235 301 G HA3 -0.226 3.734 3.960 0.000 0.000 0.235 301 G C 0.078 175.025 174.900 0.079 0.000 1.286 301 G CA 0.498 45.648 45.100 0.084 0.000 0.904 301 G HN 0.872 nan 8.290 nan 0.000 0.577 302 D N 0.384 120.825 120.400 0.070 0.000 2.144 302 D HA -0.090 4.550 4.640 0.000 0.000 0.199 302 D C 2.532 178.865 176.300 0.055 0.000 0.984 302 D CA 1.638 55.679 54.000 0.069 0.000 0.834 302 D CB -0.289 40.554 40.800 0.073 0.000 0.955 302 D HN 0.761 nan 8.370 nan 0.000 0.465 303 I N -0.605 119.996 120.570 0.051 0.000 3.083 303 I HA -0.106 4.064 4.170 0.000 0.000 0.273 303 I C 1.560 177.696 176.117 0.030 0.000 1.297 303 I CA 1.233 62.558 61.300 0.043 0.000 1.452 303 I CB -0.620 37.409 38.000 0.048 0.000 1.078 303 I HN -0.128 nan 8.210 nan 0.000 0.484 304 T N -2.302 112.268 114.554 0.027 0.000 3.100 304 T HA 0.339 4.689 4.350 0.000 0.000 0.253 304 T C 1.640 176.322 174.700 -0.030 0.000 1.118 304 T CA 0.400 62.498 62.100 -0.002 0.000 1.058 304 T CB -0.011 68.852 68.868 -0.010 0.000 0.953 304 T HN 0.701 nan 8.240 nan 0.000 0.515 305 G N 1.810 110.605 108.800 -0.008 0.000 2.155 305 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 305 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 305 G C 0.373 175.252 174.900 -0.035 0.000 0.983 305 G CA 0.305 45.397 45.100 -0.012 0.000 0.676 305 G HN 0.659 nan 8.290 nan 0.000 0.528 306 R N 0.054 120.519 120.500 -0.059 0.000 2.523 306 R HA 0.405 4.745 4.340 0.000 0.000 0.223 306 R C -0.358 175.963 176.300 0.036 0.000 1.280 306 R CA -0.558 55.492 56.100 -0.085 0.000 1.047 306 R CB 0.035 30.143 30.300 -0.319 0.000 1.650 306 R HN 0.188 nan 8.270 nan 0.000 0.545 307 D N 2.166 122.630 120.400 0.107 0.000 2.479 307 D HA -0.044 4.596 4.640 0.000 0.000 0.257 307 D C -0.220 176.150 176.300 0.116 0.000 1.230 307 D CA 0.798 54.869 54.000 0.118 0.000 0.912 307 D CB 0.288 41.176 40.800 0.147 0.000 1.130 307 D HN 0.098 nan 8.370 nan 0.000 0.515 308 Q N 2.621 122.486 119.800 0.109 0.000 3.184 308 Q HA 0.228 4.568 4.340 0.000 0.000 0.288 308 Q C -0.547 175.520 176.000 0.112 0.000 1.412 308 Q CA 0.106 55.984 55.803 0.124 0.000 0.991 308 Q CB 0.117 28.952 28.738 0.162 0.000 1.688 308 Q HN 0.441 nan 8.270 nan 0.000 0.554 309 L N -0.926 120.346 121.223 0.081 0.000 2.409 309 L HA 0.309 4.649 4.340 0.000 0.000 0.262 309 L C 1.250 178.149 176.870 0.048 0.000 0.992 309 L CA -0.538 54.329 54.840 0.045 0.000 0.817 309 L CB 2.009 44.078 42.059 0.015 0.000 1.350 309 L HN 0.114 nan 8.230 nan 0.000 0.411 310 T N 1.090 115.667 114.554 0.038 0.000 2.708 310 T HA -0.051 4.299 4.350 0.000 0.000 0.266 310 T C -1.127 173.590 174.700 0.029 0.000 1.037 310 T CA 1.740 63.861 62.100 0.034 0.000 1.146 310 T CB -0.421 68.467 68.868 0.033 0.000 0.865 310 T HN 0.457 nan 8.240 nan 0.000 0.435 311 P HA 0.038 nan 4.420 nan 0.000 0.223 311 P C 1.390 178.688 177.300 -0.002 0.000 1.151 311 P CA 0.438 63.546 63.100 0.014 0.000 0.787 311 P CB -0.096 31.609 31.700 0.007 0.000 0.788 312 V N 0.278 120.194 119.914 0.005 0.000 2.323 312 V HA -0.209 3.911 4.120 0.000 0.000 0.244 312 V C 2.491 178.602 176.094 0.029 0.000 1.041 312 V CA 2.108 64.405 62.300 -0.005 0.000 1.025 312 V CB -1.700 30.158 31.823 0.057 0.000 0.656 312 V HN 0.097 nan 8.190 nan 0.000 0.451 313 A N 0.183 123.036 122.820 0.055 0.000 1.892 313 A HA -0.229 4.091 4.320 0.000 0.000 0.218 313 A C 2.197 179.802 177.584 0.034 0.000 1.188 313 A CA 2.246 54.316 52.037 0.055 0.000 0.631 313 A CB -0.606 18.419 19.000 0.041 0.000 0.822 313 A HN 0.502 nan 8.150 nan 0.000 0.447 314 I N -0.481 120.103 120.570 0.023 0.000 2.113 314 I HA -0.284 3.886 4.170 0.000 0.000 0.238 314 I C 3.035 179.165 176.117 0.022 0.000 1.070 314 I CA 1.185 62.501 61.300 0.027 0.000 1.332 314 I CB -0.449 37.576 38.000 0.041 0.000 1.044 314 I HN 0.365 nan 8.210 nan 0.000 0.402 315 A N 0.705 123.524 122.820 -0.002 0.000 1.908 315 A HA -0.204 4.116 4.320 0.000 0.000 0.218 315 A C 2.526 180.095 177.584 -0.024 0.000 1.181 315 A CA 2.015 54.038 52.037 -0.023 0.000 0.627 315 A CB -0.962 17.997 19.000 -0.069 0.000 0.818 315 A HN 0.462 nan 8.150 nan 0.000 0.445 316 A N -0.558 122.247 122.820 -0.026 0.000 1.908 316 A HA 0.094 4.414 4.320 0.000 0.000 0.218 316 A C 2.405 180.014 177.584 0.042 0.000 1.181 316 A CA 2.030 54.078 52.037 0.019 0.000 0.627 316 A CB -1.367 17.693 19.000 0.100 0.000 0.818 316 A HN 0.733 nan 8.150 nan 0.000 0.445 317 G N -0.580 108.245 108.800 0.042 0.000 2.404 317 G HA2 -0.202 3.758 3.960 0.000 0.000 0.215 317 G HA3 -0.202 3.758 3.960 0.000 0.000 0.215 317 G C 1.774 176.705 174.900 0.051 0.000 1.174 317 G CA 0.849 45.975 45.100 0.044 0.000 0.780 317 G HN 0.572 nan 8.290 nan 0.000 0.537 318 R N -0.036 120.496 120.500 0.054 0.000 2.073 318 R HA 0.029 4.369 4.340 0.000 0.000 0.234 318 R C 2.785 179.139 176.300 0.089 0.000 1.134 318 R CA 1.146 57.291 56.100 0.075 0.000 0.952 318 R CB -0.285 30.053 30.300 0.063 0.000 0.850 318 R HN 0.230 nan 8.270 nan 0.000 0.433 319 R N 0.393 120.925 120.500 0.054 0.000 2.096 319 R HA -0.116 4.224 4.340 0.000 0.000 0.235 319 R C 2.241 178.561 176.300 0.033 0.000 1.127 319 R CA 0.939 57.068 56.100 0.048 0.000 0.968 319 R CB -0.374 29.939 30.300 0.021 0.000 0.861 319 R HN 0.102 nan 8.270 nan 0.000 0.440 320 L N 0.569 121.799 121.223 0.011 0.000 2.017 320 L HA -0.102 4.238 4.340 0.000 0.000 0.208 320 L C 2.180 178.971 176.870 -0.132 0.000 1.073 320 L CA 2.026 56.822 54.840 -0.073 0.000 0.745 320 L CB -0.662 41.338 42.059 -0.098 0.000 0.894 320 L HN 0.134 nan 8.230 nan 0.000 0.432 321 A N -1.049 121.783 122.820 0.020 0.000 1.972 321 A HA -0.214 4.106 4.320 0.000 0.000 0.219 321 A C 2.162 179.873 177.584 0.211 0.000 1.169 321 A CA 1.739 53.894 52.037 0.195 0.000 0.635 321 A CB -0.576 18.646 19.000 0.370 0.000 0.810 321 A HN 0.613 nan 8.150 nan 0.000 0.446 322 E N -0.829 119.486 120.200 0.192 0.000 2.072 322 E HA -0.187 4.163 4.350 0.000 0.000 0.191 322 E C 2.298 178.813 176.600 -0.142 0.000 0.985 322 E CA 1.172 57.612 56.400 0.067 0.000 0.801 322 E CB -0.142 29.642 29.700 0.140 0.000 0.750 322 E HN 0.635 nan 8.360 nan 0.000 0.452 323 R N 0.858 121.284 120.500 -0.124 0.000 2.070 323 R HA -0.118 4.222 4.340 0.000 0.000 0.233 323 R C 2.257 178.362 176.300 -0.323 0.000 1.137 323 R CA 1.162 57.160 56.100 -0.170 0.000 0.945 323 R CB -0.160 30.082 30.300 -0.097 0.000 0.845 323 R HN 0.139 nan 8.270 nan 0.000 0.430 324 L N -0.777 120.112 121.223 -0.556 0.000 2.156 324 L HA -0.036 4.304 4.340 0.000 0.000 0.208 324 L C 1.351 177.660 176.870 -0.936 0.000 1.095 324 L CA 1.132 55.385 54.840 -0.978 0.000 0.770 324 L CB -0.054 40.950 42.059 -1.759 0.000 0.914 324 L HN 0.231 nan 8.230 nan 0.000 0.439 325 F N -2.234 117.566 119.950 -0.250 0.000 2.746 325 F HA 0.137 4.664 4.527 0.000 0.000 0.320 325 F C 0.856 176.357 175.800 -0.499 0.000 1.097 325 F CA -0.271 57.576 58.000 -0.254 0.000 1.195 325 F CB 0.534 39.486 39.000 -0.081 0.000 1.056 325 F HN -0.086 nan 8.300 nan 0.000 0.562 326 D N -0.297 119.797 120.400 -0.509 0.000 2.673 326 D HA 0.219 4.859 4.640 0.000 0.000 0.278 326 D C 1.417 177.532 176.300 -0.309 0.000 1.393 326 D CA 0.580 54.201 54.000 -0.632 0.000 0.805 326 D CB 0.214 40.260 40.800 -1.257 0.000 1.110 326 D HN 0.183 nan 8.370 nan 0.000 0.476 327 G N 1.258 109.927 108.800 -0.217 0.000 2.212 327 G HA2 -0.367 3.593 3.960 0.000 0.000 0.267 327 G HA3 -0.367 3.593 3.960 0.000 0.000 0.267 327 G C 0.304 175.138 174.900 -0.111 0.000 1.002 327 G CA 0.345 45.363 45.100 -0.137 0.000 0.729 327 G HN 0.479 nan 8.290 nan 0.000 0.517 328 Q N 0.644 120.370 119.800 -0.123 0.000 2.844 328 Q HA 0.379 4.719 4.340 0.000 0.000 0.235 328 Q C 1.772 177.740 176.000 -0.054 0.000 1.336 328 Q CA 0.307 56.069 55.803 -0.069 0.000 1.026 328 Q CB 0.479 29.189 28.738 -0.048 0.000 1.513 328 Q HN 0.580 nan 8.270 nan 0.000 0.577 329 S N 1.028 116.694 115.700 -0.058 0.000 2.474 329 S HA -0.115 4.355 4.470 0.000 0.000 0.235 329 S C 1.058 175.626 174.600 -0.053 0.000 0.997 329 S CA 0.824 58.978 58.200 -0.076 0.000 0.949 329 S CB 0.260 63.411 63.200 -0.082 0.000 0.766 329 S HN 0.400 nan 8.310 nan 0.000 0.517 330 E N 0.625 120.840 120.200 0.024 0.000 2.501 330 E HA 0.260 4.610 4.350 0.000 0.000 0.201 330 E C 0.061 176.800 176.600 0.232 0.000 1.016 330 E CA -0.121 56.363 56.400 0.139 0.000 0.920 330 E CB 0.054 29.816 29.700 0.103 0.000 1.023 330 E HN 0.438 nan 8.360 nan 0.000 0.474 331 R N 2.245 122.832 120.500 0.145 0.000 2.401 331 R HA 0.130 4.470 4.340 0.000 0.000 0.299 331 R C 0.439 176.825 176.300 0.143 0.000 1.064 331 R CA 0.467 56.632 56.100 0.108 0.000 1.000 331 R CB 0.420 30.753 30.300 0.054 0.000 0.973 331 R HN 0.097 nan 8.270 nan 0.000 0.438 332 K N 1.058 121.486 120.400 0.046 0.000 2.579 332 K HA 0.286 4.606 4.320 0.000 0.000 0.284 332 K C -1.421 175.136 176.600 -0.072 0.000 0.990 332 K CA -1.053 55.210 56.287 -0.039 0.000 0.880 332 K CB 0.867 33.201 32.500 -0.277 0.000 1.488 332 K HN 0.177 nan 8.250 nan 0.000 0.425 333 L N 1.902 123.064 121.223 -0.101 0.000 2.331 333 L HA 0.275 4.615 4.340 0.000 0.000 0.278 333 L C -0.583 176.155 176.870 -0.220 0.000 1.106 333 L CA 0.350 55.054 54.840 -0.226 0.000 0.824 333 L CB 0.885 42.681 42.059 -0.439 0.000 1.142 333 L HN 0.716 nan 8.230 nan 0.000 0.443 334 D N 3.317 123.602 120.400 -0.192 0.000 2.343 334 D HA 0.012 4.652 4.640 0.000 0.000 0.255 334 D C -0.102 176.079 176.300 -0.200 0.000 1.187 334 D CA 0.304 54.238 54.000 -0.110 0.000 0.875 334 D CB 0.513 41.272 40.800 -0.069 0.000 1.136 334 D HN 0.507 nan 8.370 nan 0.000 0.469 335 Y N 1.381 121.658 120.300 -0.039 0.000 2.461 335 Y HA 0.130 4.680 4.550 0.000 0.000 0.277 335 Y C 0.303 176.187 175.900 -0.027 0.000 1.182 335 Y CA -0.406 57.676 58.100 -0.030 0.000 1.276 335 Y CB 0.388 38.829 38.460 -0.030 0.000 1.087 335 Y HN 0.239 nan 8.280 nan 0.000 0.519 336 D N 0.480 120.924 120.400 0.073 0.000 2.302 336 D HA 0.075 4.715 4.640 0.000 0.000 0.248 336 D C 0.218 176.524 176.300 0.010 0.000 1.094 336 D CA 0.150 54.173 54.000 0.038 0.000 0.897 336 D CB 0.422 41.237 40.800 0.024 0.000 1.200 336 D HN 0.090 nan 8.370 nan 0.000 0.429 337 N N 0.975 119.679 118.700 0.006 0.000 2.754 337 N HA -0.158 4.582 4.740 0.000 0.000 0.248 337 N C -0.626 174.877 175.510 -0.011 0.000 1.093 337 N CA 0.343 53.391 53.050 -0.003 0.000 0.699 337 N CB -0.850 37.640 38.487 0.005 0.000 1.016 337 N HN 0.367 nan 8.380 nan 0.000 0.552 338 I N 1.639 122.201 120.570 -0.012 0.000 2.452 338 I HA 0.180 4.350 4.170 0.000 0.000 0.287 338 I C -1.350 174.755 176.117 -0.020 0.000 1.079 338 I CA -2.050 59.237 61.300 -0.020 0.000 1.387 338 I CB -0.085 37.910 38.000 -0.008 0.000 1.404 338 I HN -0.020 nan 8.210 nan 0.000 0.522 339 P HA 0.262 nan 4.420 nan 0.000 0.277 339 P C -0.291 176.994 177.300 -0.024 0.000 1.240 339 P CA -0.204 62.885 63.100 -0.018 0.000 0.798 339 P CB 1.680 33.376 31.700 -0.006 0.000 0.979 340 T N 0.361 114.901 114.554 -0.024 0.000 2.864 340 T HA 0.504 4.854 4.350 0.000 0.000 0.299 340 T C -1.422 173.216 174.700 -0.102 0.000 1.166 340 T CA -0.543 61.531 62.100 -0.043 0.000 1.007 340 T CB 1.133 70.001 68.868 -0.001 0.000 1.219 340 T HN 0.091 nan 8.240 nan 0.000 0.506 341 V N 2.816 122.589 119.914 -0.236 0.000 2.604 341 V HA 0.588 4.708 4.120 0.000 0.000 0.305 341 V C -0.412 175.342 176.094 -0.566 0.000 1.043 341 V CA -0.746 61.258 62.300 -0.493 0.000 0.888 341 V CB 2.005 33.300 31.823 -0.880 0.000 0.995 341 V HN 0.759 nan 8.190 nan 0.000 0.429 342 V N 4.819 124.423 119.914 -0.517 0.000 2.370 342 V HA 0.365 4.485 4.120 0.000 0.000 0.279 342 V C -0.220 175.602 176.094 -0.453 0.000 1.029 342 V CA -0.237 61.824 62.300 -0.399 0.000 0.870 342 V CB 1.083 32.676 31.823 -0.384 0.000 0.984 342 V HN 0.746 nan 8.190 nan 0.000 0.451 343 F N 4.000 123.817 119.950 -0.221 0.000 2.733 343 F HA 0.493 5.020 4.527 0.000 0.000 0.344 343 F C 1.225 177.037 175.800 0.019 0.000 1.179 343 F CA -0.095 57.685 58.000 -0.367 0.000 1.316 343 F CB -0.227 38.306 39.000 -0.778 0.000 1.577 343 F HN 0.587 nan 8.300 nan 0.000 0.591 344 A N -0.324 122.585 122.820 0.148 0.000 2.262 344 A HA 0.588 4.908 4.320 0.000 0.000 0.273 344 A C 0.158 177.948 177.584 0.344 0.000 1.202 344 A CA 0.350 52.498 52.037 0.185 0.000 0.811 344 A CB -0.271 18.756 19.000 0.044 0.000 1.159 344 A HN 0.675 nan 8.150 nan 0.000 0.505 345 H N 0.430 119.615 119.070 0.190 0.000 2.866 345 H HA 0.644 5.200 4.556 0.000 0.000 0.287 345 H C -2.859 172.519 175.328 0.083 0.000 1.106 345 H CA -1.680 54.458 56.048 0.150 0.000 1.396 345 H CB 0.044 29.819 29.762 0.022 0.000 1.469 345 H HN 0.724 nan 8.280 nan 0.000 0.500 346 P HA 0.300 nan 4.420 nan 0.000 0.274 346 P C -2.914 174.495 177.300 0.182 0.000 1.246 346 P CA -1.682 61.537 63.100 0.197 0.000 0.795 346 P CB 1.608 33.413 31.700 0.175 0.000 1.006 347 P HA 0.290 nan 4.420 nan 0.000 0.276 347 P C -0.797 176.464 177.300 -0.066 0.000 1.261 347 P CA -0.239 62.890 63.100 0.048 0.000 0.800 347 P CB 0.573 32.253 31.700 -0.034 0.000 1.066 348 L N -2.504 118.606 121.223 -0.188 0.000 2.327 348 L HA 0.951 5.291 4.340 0.000 0.000 0.258 348 L C -0.432 176.312 176.870 -0.210 0.000 1.024 348 L CA -0.794 53.948 54.840 -0.163 0.000 0.825 348 L CB 1.852 43.813 42.059 -0.162 0.000 1.386 348 L HN 0.358 nan 8.230 nan 0.000 0.417 349 S N -0.061 115.574 115.700 -0.108 0.000 2.537 349 S HA 0.874 5.344 4.470 0.000 0.000 0.270 349 S C -1.528 173.072 174.600 0.001 0.000 1.142 349 S CA -0.553 57.596 58.200 -0.085 0.000 0.870 349 S CB 1.469 64.600 63.200 -0.115 0.000 1.112 349 S HN 1.057 nan 8.310 nan 0.000 0.466 350 K N 0.451 120.864 120.400 0.023 0.000 2.533 350 K HA 0.864 5.184 4.320 0.000 0.000 0.272 350 K C -1.725 174.822 176.600 -0.089 0.000 0.985 350 K CA -0.854 55.398 56.287 -0.059 0.000 0.876 350 K CB 1.557 34.102 32.500 0.074 0.000 1.452 350 K HN 0.606 nan 8.250 nan 0.000 0.439 351 V N 0.578 120.384 119.914 -0.180 0.000 2.851 351 V HA 0.802 4.922 4.120 0.000 0.000 0.307 351 V C -0.031 175.977 176.094 -0.142 0.000 1.129 351 V CA 0.856 63.095 62.300 -0.103 0.000 0.932 351 V CB 0.884 32.689 31.823 -0.030 0.000 1.024 351 V HN 1.526 nan 8.190 nan 0.000 0.426 352 G N 5.011 113.767 108.800 -0.073 0.000 2.527 352 G HA2 -0.126 3.834 3.960 0.000 0.000 0.227 352 G HA3 -0.126 3.834 3.960 0.000 0.000 0.227 352 G C -0.877 174.019 174.900 -0.008 0.000 1.291 352 G CA -0.147 44.929 45.100 -0.040 0.000 0.904 352 G HN 1.292 nan 8.290 nan 0.000 0.577 353 L N 1.197 122.449 121.223 0.047 0.000 2.325 353 L HA 0.587 4.927 4.340 0.000 0.000 0.279 353 L C 1.426 178.431 176.870 0.224 0.000 1.054 353 L CA -0.223 54.665 54.840 0.080 0.000 0.804 353 L CB 1.697 43.776 42.059 0.032 0.000 1.200 353 L HN 0.989 nan 8.230 nan 0.000 0.436 354 S N 0.207 115.962 115.700 0.091 0.000 2.608 354 S HA 0.046 4.516 4.470 0.000 0.000 0.261 354 S C 0.886 175.425 174.600 -0.101 0.000 1.314 354 S CA -0.359 57.762 58.200 -0.132 0.000 0.992 354 S CB 1.232 64.315 63.200 -0.194 0.000 0.935 354 S HN 0.792 nan 8.310 nan 0.000 0.564 355 E N 1.061 121.160 120.200 -0.168 0.000 2.038 355 E HA -0.100 4.250 4.350 0.000 0.000 0.195 355 E C -0.880 175.671 176.600 -0.082 0.000 1.000 355 E CA 1.387 57.729 56.400 -0.097 0.000 0.803 355 E CB -1.170 28.469 29.700 -0.101 0.000 0.750 355 E HN 0.593 nan 8.360 nan 0.000 0.448 356 P HA -0.121 nan 4.420 nan 0.000 0.217 356 P C 0.589 177.841 177.300 -0.079 0.000 1.150 356 P CA 1.308 64.354 63.100 -0.090 0.000 0.832 356 P CB 0.006 31.634 31.700 -0.121 0.000 0.787 357 E N -0.221 119.927 120.200 -0.086 0.000 2.051 357 E HA -0.156 4.194 4.350 0.000 0.000 0.192 357 E C 2.136 178.713 176.600 -0.040 0.000 0.991 357 E CA 1.317 57.678 56.400 -0.065 0.000 0.799 357 E CB -0.600 29.061 29.700 -0.065 0.000 0.748 357 E HN 0.134 nan 8.360 nan 0.000 0.449 358 A N 1.334 124.136 122.820 -0.030 0.000 1.933 358 A HA -0.170 4.150 4.320 0.000 0.000 0.218 358 A C 2.045 179.616 177.584 -0.021 0.000 1.175 358 A CA 0.989 53.016 52.037 -0.017 0.000 0.628 358 A CB -0.272 18.726 19.000 -0.004 0.000 0.814 358 A HN 0.016 nan 8.150 nan 0.000 0.444 359 R N -0.240 120.242 120.500 -0.030 0.000 2.083 359 R HA -0.133 4.207 4.340 0.000 0.000 0.237 359 R C 2.122 178.407 176.300 -0.024 0.000 1.137 359 R CA 1.622 57.705 56.100 -0.028 0.000 0.951 359 R CB -0.686 29.594 30.300 -0.034 0.000 0.851 359 R HN 0.745 nan 8.270 nan 0.000 0.434 360 E N 0.517 120.700 120.200 -0.027 0.000 2.072 360 E HA -0.159 4.191 4.350 0.000 0.000 0.191 360 E C 1.967 178.556 176.600 -0.017 0.000 0.985 360 E CA 1.045 57.431 56.400 -0.023 0.000 0.801 360 E CB 0.143 29.827 29.700 -0.027 0.000 0.750 360 E HN 0.310 nan 8.360 nan 0.000 0.452 361 R N -0.359 120.130 120.500 -0.017 0.000 2.119 361 R HA 0.038 4.378 4.340 0.000 0.000 0.222 361 R C 2.261 178.555 176.300 -0.009 0.000 1.088 361 R CA 0.729 56.821 56.100 -0.012 0.000 0.984 361 R CB 0.074 30.366 30.300 -0.012 0.000 0.884 361 R HN 0.194 nan 8.270 nan 0.000 0.447 362 L N -0.936 120.281 121.223 -0.010 0.000 2.672 362 L HA 0.327 4.667 4.340 0.000 0.000 0.236 362 L C 0.966 177.831 176.870 -0.009 0.000 1.092 362 L CA 0.154 54.989 54.840 -0.008 0.000 0.887 362 L CB 0.354 42.410 42.059 -0.006 0.000 1.168 362 L HN 0.353 nan 8.230 nan 0.000 0.502 363 G N 1.046 109.840 108.800 -0.011 0.000 2.632 363 G HA2 -0.306 3.654 3.960 0.000 0.000 0.224 363 G HA3 -0.306 3.654 3.960 0.000 0.000 0.224 363 G C -0.494 174.397 174.900 -0.014 0.000 1.341 363 G CA -0.070 45.023 45.100 -0.012 0.000 0.880 363 G HN 0.199 nan 8.290 nan 0.000 0.566 364 D N 0.739 121.131 120.400 -0.014 0.000 2.671 364 D HA 0.357 4.997 4.640 0.000 0.000 0.228 364 D C 1.506 177.796 176.300 -0.016 0.000 1.102 364 D CA 0.819 54.809 54.000 -0.017 0.000 1.044 364 D CB -0.382 40.408 40.800 -0.015 0.000 1.113 364 D HN 1.329 nan 8.370 nan 0.000 0.480 365 V N -0.465 119.440 119.914 -0.016 0.000 3.199 365 V HA 0.360 4.480 4.120 0.000 0.000 0.331 365 V C 0.105 176.190 176.094 -0.015 0.000 1.446 365 V CA -0.524 61.768 62.300 -0.013 0.000 1.120 365 V CB -0.527 31.291 31.823 -0.008 0.000 1.051 365 V HN 0.074 nan 8.190 nan 0.000 0.495 366 L N 1.602 122.811 121.223 -0.023 0.000 2.289 366 L HA 0.621 4.961 4.340 0.000 0.000 0.285 366 L C 0.079 176.921 176.870 -0.048 0.000 1.049 366 L CA 0.027 54.850 54.840 -0.027 0.000 0.804 366 L CB 1.695 43.736 42.059 -0.029 0.000 1.195 366 L HN 0.148 nan 8.230 nan 0.000 0.428 367 T N 2.856 117.383 114.554 -0.044 0.000 2.756 367 T HA 0.466 4.816 4.350 0.000 0.000 0.290 367 T C -0.138 174.479 174.700 -0.139 0.000 0.985 367 T CA -0.410 61.620 62.100 -0.117 0.000 0.955 367 T CB 1.591 70.419 68.868 -0.066 0.000 0.930 367 T HN 0.188 nan 8.240 nan 0.000 0.451 368 V N 4.543 124.305 119.914 -0.253 0.000 2.448 368 V HA 0.461 4.581 4.120 0.000 0.000 0.295 368 V C -1.129 174.789 176.094 -0.293 0.000 1.025 368 V CA -1.001 61.205 62.300 -0.156 0.000 0.859 368 V CB 0.860 32.631 31.823 -0.086 0.000 0.988 368 V HN 0.815 nan 8.190 nan 0.000 0.431 369 Y N 2.461 122.754 120.300 -0.011 0.000 2.352 369 Y HA 0.658 5.208 4.550 0.000 0.000 0.339 369 Y C 0.371 176.281 175.900 0.017 0.000 0.992 369 Y CA -0.580 57.521 58.100 0.002 0.000 1.100 369 Y CB 1.797 40.256 38.460 -0.002 0.000 1.192 369 Y HN 0.591 nan 8.280 nan 0.000 0.458 370 E N 0.866 121.157 120.200 0.151 0.000 2.343 370 E HA 0.611 4.961 4.350 0.000 0.000 0.270 370 E C -1.192 175.487 176.600 0.131 0.000 0.895 370 E CA -0.952 55.518 56.400 0.116 0.000 0.767 370 E CB 2.774 32.513 29.700 0.064 0.000 1.248 370 E HN 0.515 nan 8.360 nan 0.000 0.440 371 T N 0.179 114.821 114.554 0.146 0.000 2.868 371 T HA 0.495 4.845 4.350 0.000 0.000 0.306 371 T C -1.656 173.162 174.700 0.197 0.000 1.224 371 T CA -0.500 61.709 62.100 0.182 0.000 1.012 371 T CB 1.750 70.751 68.868 0.222 0.000 1.221 371 T HN 0.278 nan 8.240 nan 0.000 0.499 372 S N 1.992 117.821 115.700 0.215 0.000 2.547 372 S HA 0.919 5.389 4.470 0.000 0.000 0.281 372 S C -1.574 173.190 174.600 0.273 0.000 1.118 372 S CA -0.640 57.642 58.200 0.137 0.000 0.947 372 S CB 0.444 63.681 63.200 0.063 0.000 1.053 372 S HN 0.691 nan 8.310 nan 0.000 0.482 373 F N -0.234 119.751 119.950 0.059 0.000 2.773 373 F HA 0.621 5.148 4.527 0.000 0.000 0.314 373 F C -0.988 174.863 175.800 0.085 0.000 1.160 373 F CA -0.927 57.114 58.000 0.067 0.000 0.920 373 F CB 0.957 40.000 39.000 0.071 0.000 1.323 373 F HN 0.289 nan 8.300 nan 0.000 0.457 374 T N 3.538 118.243 114.554 0.251 0.000 2.743 374 T HA 0.488 4.838 4.350 0.000 0.000 0.292 374 T C -2.550 172.376 174.700 0.376 0.000 0.972 374 T CA -1.050 61.167 62.100 0.195 0.000 0.967 374 T CB 0.967 69.935 68.868 0.168 0.000 0.926 374 T HN 0.440 nan 8.240 nan 0.000 0.459 375 P HA 0.158 nan 4.420 nan 0.000 0.272 375 P C 0.957 178.419 177.300 0.270 0.000 1.240 375 P CA -0.531 62.816 63.100 0.412 0.000 0.791 375 P CB 0.771 32.656 31.700 0.309 0.000 0.978 376 M N 0.292 120.008 119.600 0.193 0.000 2.358 376 M HA -0.195 4.285 4.480 0.000 0.000 0.264 376 M C 2.093 178.457 176.300 0.108 0.000 1.064 376 M CA 1.423 56.805 55.300 0.137 0.000 1.093 376 M CB -0.263 32.389 32.600 0.086 0.000 1.401 376 M HN 0.202 nan 8.290 nan 0.000 0.440 377 R N 0.316 120.797 120.500 -0.033 0.000 2.133 377 R HA -0.202 4.138 4.340 0.000 0.000 0.247 377 R C 0.613 176.755 176.300 -0.263 0.000 1.151 377 R CA 2.130 58.057 56.100 -0.288 0.000 0.971 377 R CB -0.918 29.046 30.300 -0.559 0.000 0.866 377 R HN 0.519 nan 8.270 nan 0.000 0.447 378 Y N -0.283 120.150 120.300 0.222 0.000 2.571 378 Y HA 0.460 5.010 4.550 0.000 0.000 0.275 378 Y C 1.762 177.748 175.900 0.144 0.000 1.179 378 Y CA -0.033 58.195 58.100 0.214 0.000 1.242 378 Y CB -0.378 38.150 38.460 0.114 0.000 1.126 378 Y HN 0.166 nan 8.280 nan 0.000 0.524 379 A N 0.590 123.560 122.820 0.250 0.000 1.927 379 A HA -0.188 4.132 4.320 0.000 0.000 0.220 379 A C 1.737 179.231 177.584 -0.151 0.000 1.185 379 A CA 1.773 53.851 52.037 0.068 0.000 0.639 379 A CB -0.632 18.424 19.000 0.093 0.000 0.820 379 A HN 0.511 nan 8.150 nan 0.000 0.451 380 L N -1.197 119.714 121.223 -0.520 0.000 2.769 380 L HA 0.187 4.527 4.340 0.000 0.000 0.240 380 L C -0.299 176.323 176.870 -0.414 0.000 1.163 380 L CA -0.250 54.178 54.840 -0.687 0.000 0.962 380 L CB -0.608 40.693 42.059 -1.263 0.000 1.258 380 L HN 0.360 nan 8.230 nan 0.000 0.513 381 N N -0.337 118.281 118.700 -0.137 0.000 2.477 381 N HA 0.179 4.919 4.740 0.000 0.000 0.284 381 N C 0.684 176.158 175.510 -0.059 0.000 1.182 381 N CA -0.664 52.386 53.050 0.001 0.000 0.949 381 N CB 1.604 40.215 38.487 0.207 0.000 1.204 381 N HN -0.023 nan 8.380 nan 0.000 0.526 382 E N 0.159 120.293 120.200 -0.110 0.000 2.051 382 E HA -0.055 4.295 4.350 0.000 0.000 0.189 382 E C -0.155 176.123 176.600 -0.536 0.000 0.979 382 E CA 1.053 57.258 56.400 -0.325 0.000 0.803 382 E CB 0.170 29.677 29.700 -0.322 0.000 0.761 382 E HN 0.518 nan 8.360 nan 0.000 0.451 383 H N -0.376 118.682 119.070 -0.019 0.000 2.439 383 H HA 0.277 4.833 4.556 0.000 0.000 0.230 383 H C 0.051 175.294 175.328 -0.141 0.000 1.420 383 H CA -0.175 55.840 56.048 -0.056 0.000 1.305 383 H CB 0.316 30.050 29.762 -0.047 0.000 1.667 383 H HN 0.029 nan 8.280 nan 0.000 0.515 384 G N 2.339 111.060 108.800 -0.131 0.000 2.554 384 G HA2 0.157 4.117 3.960 0.000 0.000 0.238 384 G HA3 0.157 4.117 3.960 0.000 0.000 0.238 384 G C -2.088 172.521 174.900 -0.486 0.000 1.259 384 G CA -0.706 44.044 45.100 -0.584 0.000 0.843 384 G HN 0.148 nan 8.290 nan 0.000 0.582 385 P HA 0.374 nan 4.420 nan 0.000 0.271 385 P C -0.100 177.075 177.300 -0.209 0.000 1.216 385 P CA -0.174 62.737 63.100 -0.314 0.000 0.776 385 P CB 0.591 32.141 31.700 -0.251 0.000 0.881 386 K N 2.016 122.336 120.400 -0.132 0.000 2.205 386 K HA 0.422 4.742 4.320 0.000 0.000 0.279 386 K C 0.342 176.816 176.600 -0.210 0.000 1.027 386 K CA -0.460 55.745 56.287 -0.138 0.000 0.932 386 K CB -0.279 32.168 32.500 -0.088 0.000 1.032 386 K HN 0.497 nan 8.250 nan 0.000 0.466 387 T N 1.225 115.527 114.554 -0.420 0.000 2.913 387 T HA 0.568 4.918 4.350 0.000 0.000 0.297 387 T C -0.012 174.444 174.700 -0.407 0.000 1.029 387 T CA 0.353 62.154 62.100 -0.498 0.000 1.104 387 T CB 1.099 69.407 68.868 -0.935 0.000 0.964 387 T HN 0.960 nan 8.240 nan 0.000 0.532 388 A N 3.206 125.912 122.820 -0.190 0.000 2.414 388 A HA 0.843 5.163 4.320 0.000 0.000 0.306 388 A C -0.819 176.771 177.584 0.011 0.000 1.054 388 A CA -0.843 51.155 52.037 -0.065 0.000 0.724 388 A CB 1.253 20.232 19.000 -0.034 0.000 1.267 388 A HN 0.791 nan 8.150 nan 0.000 0.418 389 M N 1.405 121.053 119.600 0.078 0.000 2.501 389 M HA 0.514 4.994 4.480 0.000 0.000 0.293 389 M C -0.636 175.731 176.300 0.111 0.000 1.192 389 M CA -0.379 54.983 55.300 0.103 0.000 0.886 389 M CB 2.806 35.489 32.600 0.138 0.000 1.710 389 M HN 0.695 nan 8.290 nan 0.000 0.457 390 K N 2.710 123.188 120.400 0.131 0.000 2.482 390 K HA 0.634 4.954 4.320 0.000 0.000 0.251 390 K C -2.038 174.662 176.600 0.167 0.000 0.936 390 K CA -0.544 55.827 56.287 0.139 0.000 0.791 390 K CB 1.892 34.447 32.500 0.090 0.000 1.213 390 K HN 0.758 nan 8.250 nan 0.000 0.428 391 L N 4.688 125.998 121.223 0.145 0.000 2.287 391 L HA 0.418 4.758 4.340 0.000 0.000 0.287 391 L C -0.818 176.135 176.870 0.138 0.000 1.022 391 L CA -1.105 53.793 54.840 0.096 0.000 0.814 391 L CB 1.807 43.871 42.059 0.008 0.000 1.217 391 L HN 0.415 nan 8.230 nan 0.000 0.420 392 V N 3.300 123.276 119.914 0.104 0.000 2.328 392 V HA 0.325 4.445 4.120 0.000 0.000 0.278 392 V C -0.053 176.061 176.094 0.034 0.000 1.021 392 V CA -0.469 61.879 62.300 0.079 0.000 0.838 392 V CB 1.229 33.110 31.823 0.096 0.000 0.999 392 V HN 0.811 nan 8.190 nan 0.000 0.447 393 C N 3.742 123.071 119.300 0.047 0.000 2.562 393 C HA 0.998 5.458 4.460 0.000 0.000 0.332 393 C C 0.473 175.474 174.990 0.018 0.000 1.201 393 C CA -0.659 58.373 59.018 0.024 0.000 1.803 393 C CB 1.388 29.174 27.740 0.077 0.000 2.328 393 C HN 0.988 nan 8.230 nan 0.000 0.500 394 A N 1.117 123.942 122.820 0.008 0.000 2.486 394 A HA 0.930 5.250 4.320 0.000 0.000 0.300 394 A C -0.131 177.456 177.584 0.005 0.000 1.048 394 A CA 0.475 52.514 52.037 0.004 0.000 0.696 394 A CB 0.852 19.853 19.000 0.001 0.000 1.278 394 A HN 2.635 nan 8.150 nan 0.000 0.405 395 G N 1.816 110.618 108.800 0.004 0.000 2.860 395 G HA2 -0.038 3.922 3.960 0.000 0.000 0.553 395 G HA3 -0.038 3.922 3.960 0.000 0.000 0.553 395 G C -1.594 173.312 174.900 0.009 0.000 1.439 395 G CA -0.109 44.994 45.100 0.005 0.000 0.879 395 G HN 0.656 nan 8.290 nan 0.000 0.545 396 P HA 0.063 nan 4.420 nan 0.000 0.217 396 P C 1.838 179.149 177.300 0.018 0.000 1.148 396 P CA 2.841 65.949 63.100 0.012 0.000 0.828 396 P CB -0.083 31.623 31.700 0.010 0.000 0.783 397 E N -0.451 119.759 120.200 0.015 0.000 2.481 397 E HA -0.081 4.269 4.350 0.000 0.000 0.195 397 E C 0.707 177.317 176.600 0.016 0.000 1.047 397 E CA 0.160 56.569 56.400 0.016 0.000 0.867 397 E CB -1.138 28.570 29.700 0.013 0.000 0.858 397 E HN 0.386 nan 8.360 nan 0.000 0.513 398 Q N -0.651 119.161 119.800 0.020 0.000 2.439 398 Q HA -0.225 4.115 4.340 0.000 0.000 0.325 398 Q C 0.314 176.307 176.000 -0.012 0.000 1.372 398 Q CA 0.667 56.484 55.803 0.024 0.000 0.909 398 Q CB -1.593 27.183 28.738 0.062 0.000 1.167 398 Q HN 0.666 nan 8.270 nan 0.000 0.418 399 R N 0.425 120.918 120.500 -0.010 0.000 2.538 399 R HA 0.143 4.483 4.340 0.000 0.000 0.282 399 R C -0.285 175.985 176.300 -0.050 0.000 1.009 399 R CA -0.052 56.035 56.100 -0.021 0.000 1.063 399 R CB 0.634 30.933 30.300 -0.003 0.000 0.945 399 R HN 0.102 nan 8.270 nan 0.000 0.414 400 V N 7.311 127.167 119.914 -0.096 0.000 2.415 400 V HA -0.021 4.099 4.120 0.000 0.000 0.267 400 V C 1.201 177.261 176.094 -0.056 0.000 1.042 400 V CA 0.143 62.351 62.300 -0.154 0.000 1.000 400 V CB 0.986 32.592 31.823 -0.362 0.000 1.015 400 V HN 0.824 nan 8.190 nan 0.000 0.478 401 V N 2.322 122.217 119.914 -0.032 0.000 3.565 401 V HA 0.601 4.721 4.120 0.000 0.000 0.260 401 V C 0.798 176.897 176.094 0.008 0.000 1.231 401 V CA 0.808 63.106 62.300 -0.002 0.000 1.100 401 V CB 0.235 32.061 31.823 0.006 0.000 0.807 401 V HN 0.777 nan 8.190 nan 0.000 0.454 402 G N -0.162 108.644 108.800 0.011 0.000 2.731 402 G HA2 0.599 4.559 3.960 0.000 0.000 0.298 402 G HA3 0.599 4.559 3.960 0.000 0.000 0.298 402 G C -1.668 173.162 174.900 -0.116 0.000 1.424 402 G CA -0.395 44.697 45.100 -0.013 0.000 1.029 402 G HN 0.224 nan 8.290 nan 0.000 0.518 403 V N 3.310 123.010 119.914 -0.357 0.000 2.487 403 V HA 0.578 4.698 4.120 0.000 0.000 0.298 403 V C -0.834 174.923 176.094 -0.561 0.000 1.028 403 V CA -0.844 61.284 62.300 -0.287 0.000 0.860 403 V CB 1.511 33.252 31.823 -0.136 0.000 0.991 403 V HN 0.775 nan 8.190 nan 0.000 0.427 404 H N 3.179 122.241 119.070 -0.013 0.000 2.689 404 H HA 0.738 5.294 4.556 0.000 0.000 0.346 404 H C -1.193 174.131 175.328 -0.007 0.000 1.037 404 H CA -0.460 55.593 56.048 0.009 0.000 1.234 404 H CB 2.603 32.382 29.762 0.028 0.000 1.572 404 H HN 0.494 nan 8.280 nan 0.000 0.524 405 V N 5.198 125.155 119.914 0.072 0.000 2.851 405 V HA 0.533 4.653 4.120 0.000 0.000 0.307 405 V C -1.312 174.785 176.094 0.005 0.000 1.129 405 V CA -0.695 61.621 62.300 0.027 0.000 0.932 405 V CB 2.604 34.424 31.823 -0.006 0.000 1.024 405 V HN 0.751 nan 8.190 nan 0.000 0.426 406 I N 5.872 126.435 120.570 -0.011 0.000 2.534 406 I HA 0.948 5.118 4.170 0.000 0.000 0.288 406 I C -0.188 175.906 176.117 -0.038 0.000 1.077 406 I CA 0.720 62.002 61.300 -0.030 0.000 1.051 406 I CB 1.735 39.712 38.000 -0.038 0.000 1.234 406 I HN 1.172 nan 8.210 nan 0.000 0.425 407 G N 4.590 113.389 108.800 -0.002 0.000 2.369 407 G HA2 0.015 3.975 3.960 0.000 0.000 0.293 407 G HA3 0.015 3.975 3.960 0.000 0.000 0.293 407 G C -1.673 173.287 174.900 0.101 0.000 1.301 407 G CA -0.736 44.378 45.100 0.023 0.000 0.913 407 G HN 0.828 nan 8.290 nan 0.000 0.540 408 D N -0.294 120.204 120.400 0.163 0.000 2.525 408 D HA 0.438 5.078 4.640 0.000 0.000 0.235 408 D C 1.600 177.993 176.300 0.155 0.000 1.137 408 D CA 2.486 56.600 54.000 0.190 0.000 0.868 408 D CB 0.309 41.209 40.800 0.166 0.000 1.180 408 D HN 2.010 nan 8.370 nan 0.000 0.465 409 G N 2.486 111.391 108.800 0.175 0.000 2.212 409 G HA2 -0.370 3.590 3.960 0.000 0.000 0.266 409 G HA3 -0.370 3.590 3.960 0.000 0.000 0.266 409 G C 1.215 176.181 174.900 0.109 0.000 0.978 409 G CA 0.642 45.829 45.100 0.144 0.000 0.632 409 G HN 0.917 nan 8.290 nan 0.000 0.537 410 A N 1.241 124.112 122.820 0.086 0.000 2.024 410 A HA 0.012 4.332 4.320 0.000 0.000 0.220 410 A C 2.090 179.651 177.584 -0.039 0.000 1.164 410 A CA 2.243 54.293 52.037 0.021 0.000 0.643 410 A CB -0.433 18.561 19.000 -0.009 0.000 0.806 410 A HN 0.871 nan 8.150 nan 0.000 0.451 411 D N -0.762 119.608 120.400 -0.049 0.000 2.312 411 D HA -0.112 4.528 4.640 0.000 0.000 0.211 411 D C 0.717 176.998 176.300 -0.031 0.000 0.964 411 D CA 0.896 54.808 54.000 -0.146 0.000 0.877 411 D CB -0.194 40.508 40.800 -0.163 0.000 0.924 411 D HN 0.421 nan 8.370 nan 0.000 0.515 412 E N -0.549 119.673 120.200 0.037 0.000 2.583 412 E HA 0.182 4.532 4.350 0.000 0.000 0.213 412 E C 1.416 178.057 176.600 0.068 0.000 0.989 412 E CA -0.184 56.250 56.400 0.056 0.000 0.991 412 E CB 0.623 30.370 29.700 0.078 0.000 1.040 412 E HN 0.339 nan 8.360 nan 0.000 0.481 413 M N -0.152 119.494 119.600 0.078 0.000 2.357 413 M HA 0.102 4.582 4.480 0.000 0.000 0.266 413 M C 1.362 177.805 176.300 0.238 0.000 1.095 413 M CA 1.035 56.421 55.300 0.143 0.000 1.156 413 M CB 0.432 33.104 32.600 0.121 0.000 1.365 413 M HN 0.038 nan 8.290 nan 0.000 0.447 414 L N -0.666 120.656 121.223 0.165 0.000 2.585 414 L HA 0.040 4.380 4.340 0.000 0.000 0.226 414 L C 1.999 178.969 176.870 0.167 0.000 1.113 414 L CA -0.001 54.978 54.840 0.231 0.000 0.876 414 L CB -0.363 41.748 42.059 0.085 0.000 1.072 414 L HN 0.313 nan 8.230 nan 0.000 0.468 415 Q N 1.395 121.246 119.800 0.085 0.000 2.061 415 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 415 Q C 2.116 178.122 176.000 0.011 0.000 0.984 415 Q CA 2.369 58.194 55.803 0.036 0.000 0.846 415 Q CB -0.411 28.336 28.738 0.016 0.000 0.902 415 Q HN 0.391 nan 8.270 nan 0.000 0.421 416 G N -0.952 107.828 108.800 -0.034 0.000 2.421 416 G HA2 -0.243 3.717 3.960 0.000 0.000 0.216 416 G HA3 -0.243 3.717 3.960 0.000 0.000 0.216 416 G C 1.095 175.879 174.900 -0.195 0.000 1.171 416 G CA 0.772 45.777 45.100 -0.158 0.000 0.775 416 G HN 0.430 nan 8.290 nan 0.000 0.543 417 F N 1.793 121.703 119.950 -0.067 0.000 2.202 417 F HA -0.002 4.525 4.527 0.000 0.000 0.301 417 F C 3.019 178.825 175.800 0.010 0.000 1.082 417 F CA 0.840 58.809 58.000 -0.052 0.000 1.313 417 F CB -0.121 38.871 39.000 -0.013 0.000 1.024 417 F HN 0.243 nan 8.300 nan 0.000 0.495 418 A N -0.090 122.823 122.820 0.155 0.000 1.933 418 A HA -0.116 4.204 4.320 0.000 0.000 0.218 418 A C 2.326 179.940 177.584 0.050 0.000 1.175 418 A CA 1.758 53.847 52.037 0.087 0.000 0.628 418 A CB -1.147 17.881 19.000 0.046 0.000 0.814 418 A HN 0.173 nan 8.150 nan 0.000 0.444 419 V N -0.056 119.867 119.914 0.015 0.000 2.295 419 V HA -0.264 3.856 4.120 0.000 0.000 0.246 419 V C 3.054 179.152 176.094 0.008 0.000 1.049 419 V CA 1.991 64.286 62.300 -0.007 0.000 1.024 419 V CB -1.376 30.422 31.823 -0.042 0.000 0.648 419 V HN 0.610 nan 8.190 nan 0.000 0.447 420 A N -0.128 122.698 122.820 0.009 0.000 1.877 420 A HA -0.168 4.152 4.320 0.000 0.000 0.216 420 A C 2.406 180.069 177.584 0.131 0.000 1.186 420 A CA 2.155 54.224 52.037 0.053 0.000 0.620 420 A CB -0.790 18.221 19.000 0.018 0.000 0.822 420 A HN 0.328 nan 8.150 nan 0.000 0.443 421 V N 0.357 120.373 119.914 0.169 0.000 2.332 421 V HA -0.295 3.825 4.120 0.000 0.000 0.248 421 V C 2.557 178.694 176.094 0.073 0.000 1.055 421 V CA 2.480 64.864 62.300 0.139 0.000 1.038 421 V CB -0.710 31.191 31.823 0.129 0.000 0.651 421 V HN 0.746 nan 8.190 nan 0.000 0.450 422 K N -0.047 120.385 120.400 0.052 0.000 2.103 422 K HA -0.154 4.166 4.320 0.000 0.000 0.207 422 K C 1.920 178.536 176.600 0.027 0.000 1.048 422 K CA 1.733 58.036 56.287 0.027 0.000 0.930 422 K CB -0.197 32.310 32.500 0.012 0.000 0.716 422 K HN 0.408 nan 8.250 nan 0.000 0.444 423 M N -0.187 119.434 119.600 0.035 0.000 2.659 423 M HA 0.106 4.586 4.480 0.000 0.000 0.243 423 M C 0.598 176.921 176.300 0.039 0.000 1.111 423 M CA 0.765 56.083 55.300 0.030 0.000 1.070 423 M CB 0.490 33.105 32.600 0.025 0.000 1.525 423 M HN 0.448 nan 8.290 nan 0.000 0.517 424 G N 1.587 110.416 108.800 0.048 0.000 2.256 424 G HA2 -0.169 3.791 3.960 0.000 0.000 0.272 424 G HA3 -0.169 3.791 3.960 0.000 0.000 0.272 424 G C 0.112 175.050 174.900 0.063 0.000 1.076 424 G CA -0.005 45.123 45.100 0.046 0.000 0.882 424 G HN 0.730 nan 8.290 nan 0.000 0.497 425 A N 0.103 122.987 122.820 0.107 0.000 2.531 425 A HA 0.630 4.950 4.320 0.000 0.000 0.236 425 A C 1.169 178.804 177.584 0.085 0.000 1.062 425 A CA 1.435 53.569 52.037 0.162 0.000 0.760 425 A CB 0.209 19.428 19.000 0.366 0.000 0.995 425 A HN 2.000 nan 8.150 nan 0.000 0.501 426 T N -0.522 114.077 114.554 0.075 0.000 2.922 426 T HA 0.484 4.834 4.350 0.000 0.000 0.281 426 T C 0.974 175.648 174.700 -0.045 0.000 1.005 426 T CA -0.298 61.799 62.100 -0.005 0.000 0.982 426 T CB 1.105 69.981 68.868 0.014 0.000 1.158 426 T HN 0.501 nan 8.240 nan 0.000 0.566 427 K N 0.639 120.968 120.400 -0.118 0.000 2.097 427 K HA 0.071 4.391 4.320 0.000 0.000 0.206 427 K C 2.359 178.952 176.600 -0.012 0.000 1.049 427 K CA 1.841 58.028 56.287 -0.168 0.000 0.933 427 K CB -1.205 31.181 32.500 -0.190 0.000 0.717 427 K HN 0.718 nan 8.250 nan 0.000 0.442 428 A N 1.118 123.948 122.820 0.016 0.000 1.908 428 A HA -0.215 4.105 4.320 0.000 0.000 0.218 428 A C 1.782 179.419 177.584 0.087 0.000 1.181 428 A CA 2.146 54.209 52.037 0.043 0.000 0.627 428 A CB -0.743 18.277 19.000 0.033 0.000 0.818 428 A HN 0.453 nan 8.150 nan 0.000 0.445 429 D N -0.992 119.487 120.400 0.131 0.000 2.117 429 D HA -0.118 4.522 4.640 0.000 0.000 0.197 429 D C 1.648 178.082 176.300 0.223 0.000 0.987 429 D CA 1.104 55.202 54.000 0.162 0.000 0.829 429 D CB -0.384 40.529 40.800 0.189 0.000 0.961 429 D HN 0.424 nan 8.370 nan 0.000 0.460 430 F N 1.842 121.800 119.950 0.012 0.000 2.075 430 F HA -0.126 4.401 4.527 0.000 0.000 0.297 430 F C 2.212 178.018 175.800 0.009 0.000 1.113 430 F CA 0.981 59.002 58.000 0.035 0.000 1.218 430 F CB -0.591 38.429 39.000 0.033 0.000 0.984 430 F HN -0.126 nan 8.300 nan 0.000 0.472 431 D N -0.430 120.078 120.400 0.180 0.000 2.219 431 D HA -0.129 4.511 4.640 0.000 0.000 0.205 431 D C 1.560 177.889 176.300 0.048 0.000 0.970 431 D CA 0.875 54.920 54.000 0.076 0.000 0.851 431 D CB -0.530 40.287 40.800 0.029 0.000 0.943 431 D HN 0.222 nan 8.370 nan 0.000 0.488 432 N N -0.005 118.725 118.700 0.049 0.000 2.521 432 N HA -0.027 4.713 4.740 0.000 0.000 0.188 432 N C -0.180 175.334 175.510 0.006 0.000 1.146 432 N CA 0.367 53.431 53.050 0.024 0.000 0.893 432 N CB 0.166 38.668 38.487 0.024 0.000 0.975 432 N HN 0.053 nan 8.380 nan 0.000 0.451 433 T N 0.900 115.455 114.554 0.002 0.000 2.771 433 T HA 0.295 4.645 4.350 0.000 0.000 0.291 433 T C 0.494 175.181 174.700 -0.022 0.000 0.954 433 T CA -0.535 61.545 62.100 -0.033 0.000 1.045 433 T CB 2.005 70.820 68.868 -0.088 0.000 0.917 433 T HN -0.248 nan 8.240 nan 0.000 0.484 434 V N 3.162 123.061 119.914 -0.025 0.000 2.655 434 V HA 0.345 4.465 4.120 0.000 0.000 0.300 434 V C 0.991 177.078 176.094 -0.011 0.000 1.044 434 V CA -0.744 61.547 62.300 -0.015 0.000 1.095 434 V CB 0.281 32.094 31.823 -0.015 0.000 0.952 434 V HN 1.093 nan 8.190 nan 0.000 0.485 435 A N 5.996 128.818 122.820 0.004 0.000 2.445 435 A HA 0.503 4.823 4.320 0.000 0.000 0.242 435 A C -0.090 177.514 177.584 0.034 0.000 1.075 435 A CA -0.291 51.760 52.037 0.023 0.000 0.777 435 A CB -0.047 18.969 19.000 0.027 0.000 1.013 435 A HN 0.758 nan 8.150 nan 0.000 0.493 436 I N 1.641 122.238 120.570 0.044 0.000 2.371 436 I HA 0.267 4.437 4.170 0.000 0.000 0.290 436 I C 0.111 176.294 176.117 0.111 0.000 1.028 436 I CA 0.157 61.490 61.300 0.056 0.000 1.345 436 I CB 0.721 38.739 38.000 0.031 0.000 1.407 436 I HN 0.831 nan 8.210 nan 0.000 0.501 437 H N 7.021 126.090 119.070 -0.002 0.000 2.717 437 H HA 0.606 5.162 4.556 0.000 0.000 0.366 437 H C -2.557 172.772 175.328 0.003 0.000 1.132 437 H CA -1.622 54.425 56.048 -0.002 0.000 1.180 437 H CB 1.660 31.417 29.762 -0.008 0.000 1.678 437 H HN 0.334 nan 8.280 nan 0.000 0.537 438 P HA 0.643 nan 4.420 nan 0.000 0.288 438 P C -0.595 176.596 177.300 -0.182 0.000 1.267 438 P CA -0.488 62.212 63.100 -0.666 0.000 0.815 438 P CB 1.929 33.220 31.700 -0.680 0.000 0.989 439 G N -0.587 108.178 108.800 -0.059 0.000 2.428 439 G HA2 0.318 4.278 3.960 0.000 0.000 0.304 439 G HA3 0.318 4.278 3.960 0.000 0.000 0.304 439 G C 0.117 175.060 174.900 0.073 0.000 1.303 439 G CA -0.370 44.743 45.100 0.022 0.000 0.825 439 G HN 0.241 nan 8.290 nan 0.000 0.484 440 S N -0.353 115.435 115.700 0.145 0.000 2.441 440 S HA 0.196 4.666 4.470 0.000 0.000 0.224 440 S C 2.627 177.342 174.600 0.191 0.000 1.043 440 S CA 1.360 59.709 58.200 0.248 0.000 0.948 440 S CB -0.013 63.433 63.200 0.411 0.000 0.810 440 S HN 1.151 nan 8.310 nan 0.000 0.504 441 A N 2.548 125.467 122.820 0.166 0.000 1.986 441 A HA -0.230 4.090 4.320 0.000 0.000 0.220 441 A C 1.970 179.650 177.584 0.159 0.000 1.171 441 A CA 1.831 53.977 52.037 0.182 0.000 0.640 441 A CB -0.743 18.399 19.000 0.237 0.000 0.811 441 A HN 0.762 nan 8.150 nan 0.000 0.451 442 E N -0.340 119.925 120.200 0.107 0.000 2.267 442 E HA -0.233 4.117 4.350 0.000 0.000 0.197 442 E C 1.259 177.884 176.600 0.043 0.000 0.998 442 E CA 1.203 57.650 56.400 0.078 0.000 0.830 442 E CB -0.307 29.433 29.700 0.068 0.000 0.751 442 E HN 0.562 nan 8.360 nan 0.000 0.491 443 E N 1.025 121.226 120.200 0.001 0.000 2.204 443 E HA -0.100 4.250 4.350 0.000 0.000 0.195 443 E C 2.186 178.814 176.600 0.046 0.000 0.990 443 E CA 0.651 57.032 56.400 -0.032 0.000 0.821 443 E CB -0.144 29.478 29.700 -0.131 0.000 0.750 443 E HN 0.467 nan 8.360 nan 0.000 0.477 444 L N 0.614 121.877 121.223 0.067 0.000 2.201 444 L HA -0.095 4.245 4.340 0.000 0.000 0.212 444 L C 2.189 179.175 176.870 0.194 0.000 1.105 444 L CA 0.795 55.676 54.840 0.067 0.000 0.775 444 L CB -0.196 41.765 42.059 -0.164 0.000 0.913 444 L HN 0.046 nan 8.230 nan 0.000 0.440 445 V N -4.927 115.089 119.914 0.170 0.000 3.542 445 V HA 0.121 4.241 4.120 0.000 0.000 0.296 445 V C 1.175 177.318 176.094 0.081 0.000 1.364 445 V CA 0.672 63.073 62.300 0.169 0.000 1.118 445 V CB -0.333 31.558 31.823 0.113 0.000 0.972 445 V HN 0.419 nan 8.190 nan 0.000 0.430 446 T N -1.881 112.701 114.554 0.047 0.000 3.288 446 T HA 0.477 4.827 4.350 0.000 0.000 0.293 446 T C 0.098 174.801 174.700 0.004 0.000 1.008 446 T CA -0.268 61.840 62.100 0.013 0.000 0.929 446 T CB -0.329 68.537 68.868 -0.003 0.000 1.152 446 T HN 0.310 nan 8.240 nan 0.000 0.517 447 L N 2.151 123.370 121.223 -0.008 0.000 2.477 447 L HA 0.561 4.901 4.340 0.000 0.000 0.272 447 L C 0.599 177.472 176.870 0.005 0.000 1.157 447 L CA 0.015 54.857 54.840 0.004 0.000 0.889 447 L CB 0.125 42.164 42.059 -0.033 0.000 1.158 447 L HN 0.383 nan 8.230 nan 0.000 0.473 448 K N 3.779 124.242 120.400 0.104 0.000 2.426 448 K HA 0.517 4.837 4.320 0.000 0.000 0.254 448 K C -0.221 176.497 176.600 0.196 0.000 0.936 448 K CA -0.653 55.708 56.287 0.123 0.000 0.801 448 K CB 1.532 34.073 32.500 0.067 0.000 1.139 448 K HN 0.601 nan 8.250 nan 0.000 0.424 449 E N 1.692 122.040 120.200 0.246 0.000 7.473 449 E HA -0.093 4.257 4.350 0.000 0.000 0.374 449 E C -2.499 174.143 176.600 0.070 0.000 0.644 449 E CA 0.429 56.918 56.400 0.149 0.000 1.131 449 E CB -0.376 29.367 29.700 0.072 0.000 0.938 449 E HN 0.697 nan 8.360 nan 0.000 0.266 450 P HA 0.149 nan 4.420 nan 0.000 0.276 450 P C 0.558 177.713 177.300 -0.241 0.000 1.244 450 P CA -0.379 62.385 63.100 -0.561 0.000 0.801 450 P CB 1.213 32.400 31.700 -0.855 0.000 1.006 451 V N 1.838 121.631 119.914 -0.201 0.000 2.649 451 V HA 0.069 4.189 4.120 0.000 0.000 0.248 451 V C 0.932 176.959 176.094 -0.111 0.000 1.054 451 V CA 1.299 63.536 62.300 -0.105 0.000 1.073 451 V CB -0.305 31.484 31.823 -0.057 0.000 0.699 451 V HN 0.504 nan 8.190 nan 0.000 0.463 452 R N -0.515 119.893 120.500 -0.153 0.000 2.744 452 R HA 0.780 5.120 4.340 0.000 0.000 0.279 452 R C -0.477 175.730 176.300 -0.155 0.000 0.977 452 R CA -0.114 55.911 56.100 -0.124 0.000 0.906 452 R CB 1.914 32.160 30.300 -0.090 0.000 1.197 452 R HN 0.241 nan 8.270 nan 0.000 0.463 453 R N 1.650 122.085 120.500 -0.109 0.000 2.912 453 R HA 0.595 4.935 4.340 0.000 0.000 0.262 453 R C -2.817 173.446 176.300 -0.061 0.000 1.057 453 R CA -1.948 54.095 56.100 -0.094 0.000 0.981 453 R CB -0.221 30.031 30.300 -0.081 0.000 1.201 453 R HN 0.418 nan 8.270 nan 0.000 0.484 454 P HA 0.340 nan 4.420 nan 0.000 0.262 454 P C 0.420 177.702 177.300 -0.030 0.000 1.182 454 P CA 1.901 64.981 63.100 -0.033 0.000 0.761 454 P CB 0.688 32.373 31.700 -0.024 0.000 0.795 455 G N 0.000 108.784 108.800 -0.027 0.000 5.446 455 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 455 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 455 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 455 G HN 0.000 nan 8.290 nan 0.000 0.925