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 3i8b_1_A DATA FIRST_RESID 1 DATA SEQUENCE SLRTLVAGVD TSTQSCKVRV TDAETGELVR FGQAKHPNGT SVDPSYWWSA DATA SEQUENCE FQEAAEQAGG LDDVSALAVG GQQHGXVILD NQGNVIRDAX LWNDTSSAPQ DATA SEQUENCE AAALIEKLGA APAQDGEPED PIARGKQRWV KAVGSSPVAS YTLTKVAWVA DATA SEQUENCE ENEPENVKKI AAICLPHDWL SWRIAGYGPV AEGEDAHLEA LFTDRSDASG DATA SEQUENCE TIYYDAASNE YRRDLIAXVL EAAEGAKAAQ SHAEAIVLPT VLGPRDAAPV DATA SEQUENCE KADPAIAGKN VEGGCLLAPG GGDNAXASLG LGXAVGDVSI SLGTSGVAAA DATA SEQUENCE ISENPTYDLT GAVSGFADCT GHYLPLACTI NGSRILDAGR AALGVDYDEL DATA SEQUENCE AKLAFASKPG ANGITLVPYF DGERTPNRPN ATATFSGXTL ANTTRENLAR DATA SEQUENCE AFVEGLLCSQ RDCLELIRSL GASITRILLI GGGAKSEAIR TLAPSILGXD DATA SEQUENCE VTRPATDEYV AIGAARQAAW VLSGETEPPA WQLTIDGVET GEPTEAVYEA DATA SEQUENCE YAKARG 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.606 174.600 0.010 0.000 1.055 1 S CA 0.000 58.205 58.200 0.008 0.000 1.107 1 S CB 0.000 63.205 63.200 0.007 0.000 0.593 2 L N 2.142 123.369 121.223 0.008 0.000 2.013 2 L HA 0.011 4.349 4.340 -0.003 0.000 0.212 2 L C 1.213 178.090 176.870 0.011 0.000 1.073 2 L CA 1.790 56.635 54.840 0.009 0.000 0.753 2 L CB -0.280 41.782 42.059 0.006 0.000 0.890 2 L HN 0.378 nan 8.230 nan 0.000 0.432 3 R N 0.453 120.958 120.500 0.009 0.000 2.347 3 R HA 0.083 4.421 4.340 -0.003 0.000 0.304 3 R C -0.667 175.643 176.300 0.018 0.000 1.072 3 R CA -0.141 55.965 56.100 0.010 0.000 0.980 3 R CB 0.767 31.068 30.300 0.002 0.000 0.986 3 R HN -0.007 nan 8.270 nan 0.000 0.448 4 T N 6.219 120.789 114.554 0.027 0.000 2.761 4 T HA 0.282 4.630 4.350 -0.003 0.000 0.296 4 T C -0.079 174.648 174.700 0.046 0.000 0.934 4 T CA -0.280 61.845 62.100 0.041 0.000 1.091 4 T CB 0.365 69.265 68.868 0.054 0.000 0.896 4 T HN 0.403 nan 8.240 nan 0.000 0.515 5 L N 3.638 124.890 121.223 0.048 0.000 2.342 5 L HA 0.811 5.149 4.340 -0.003 0.000 0.271 5 L C 0.129 177.047 176.870 0.079 0.000 1.008 5 L CA -1.233 53.638 54.840 0.052 0.000 0.818 5 L CB 1.874 43.953 42.059 0.034 0.000 1.296 5 L HN 0.453 nan 8.230 nan 0.000 0.427 6 V N -0.761 119.215 119.914 0.104 0.000 3.158 6 V HA 1.008 5.126 4.120 -0.003 0.000 0.315 6 V C -0.581 175.585 176.094 0.121 0.000 1.148 6 V CA -0.756 61.621 62.300 0.128 0.000 1.042 6 V CB 1.857 33.792 31.823 0.187 0.000 1.101 6 V HN 0.834 nan 8.190 nan 0.000 0.448 7 A N 0.258 123.156 122.820 0.130 0.000 2.381 7 A HA 0.893 5.211 4.320 -0.003 0.000 0.299 7 A C -0.079 177.592 177.584 0.144 0.000 1.049 7 A CA -0.074 52.038 52.037 0.125 0.000 0.715 7 A CB 1.271 20.339 19.000 0.114 0.000 1.222 7 A HN 1.930 nan 8.150 nan 0.000 0.428 8 G N 0.907 109.795 108.800 0.147 0.000 2.335 8 G HA2 0.539 4.497 3.960 -0.003 0.000 0.314 8 G HA3 0.539 4.497 3.960 -0.003 0.000 0.314 8 G C -0.745 174.230 174.900 0.125 0.000 1.129 8 G CA -0.308 44.880 45.100 0.146 0.000 0.912 8 G HN 0.798 nan 8.290 nan 0.000 0.443 9 V N 2.609 122.596 119.914 0.122 0.000 2.435 9 V HA 0.368 4.486 4.120 -0.003 0.000 0.290 9 V C -0.705 175.442 176.094 0.087 0.000 1.030 9 V CA -0.693 61.682 62.300 0.124 0.000 0.881 9 V CB 1.852 33.779 31.823 0.172 0.000 0.983 9 V HN 0.769 nan 8.190 nan 0.000 0.445 10 D N 2.775 123.218 120.400 0.072 0.000 2.446 10 D HA 0.189 4.827 4.640 -0.003 0.000 0.251 10 D C -0.294 176.031 176.300 0.041 0.000 1.137 10 D CA -0.172 53.856 54.000 0.047 0.000 0.890 10 D CB 1.553 42.383 40.800 0.051 0.000 1.071 10 D HN 0.506 nan 8.370 nan 0.000 0.528 11 T N 2.433 117.010 114.554 0.039 0.000 2.811 11 T HA 0.450 4.798 4.350 -0.003 0.000 0.309 11 T C 0.042 174.741 174.700 -0.002 0.000 1.005 11 T CA -0.351 61.781 62.100 0.053 0.000 0.955 11 T CB -0.266 68.631 68.868 0.048 0.000 0.970 11 T HN 0.389 nan 8.240 nan 0.000 0.496 12 S N 3.460 119.184 115.700 0.040 0.000 2.758 12 S HA 0.377 4.845 4.470 -0.003 0.000 0.292 12 S C 1.642 176.349 174.600 0.178 0.000 1.131 12 S CA -0.615 57.613 58.200 0.046 0.000 0.997 12 S CB 0.802 64.021 63.200 0.031 0.000 1.111 12 S HN 0.519 nan 8.310 nan 0.000 0.552 13 T N 1.297 115.987 114.554 0.227 0.000 2.665 13 T HA -0.173 4.175 4.350 -0.003 0.000 0.268 13 T C 1.763 176.701 174.700 0.397 0.000 1.035 13 T CA 2.063 64.377 62.100 0.358 0.000 1.151 13 T CB -0.483 68.662 68.868 0.461 0.000 0.862 13 T HN 0.667 nan 8.240 nan 0.000 0.438 14 Q N 0.403 120.345 119.800 0.236 0.000 2.302 14 Q HA 0.133 4.471 4.340 -0.003 0.000 0.202 14 Q C 0.908 176.894 176.000 -0.023 0.000 0.936 14 Q CA 0.540 56.430 55.803 0.146 0.000 0.886 14 Q CB 0.358 29.153 28.738 0.095 0.000 0.986 14 Q HN 0.579 nan 8.270 nan 0.000 0.487 15 S N -2.181 113.368 115.700 -0.251 0.000 2.636 15 S HA 0.374 4.842 4.470 -0.003 0.000 0.268 15 S C -1.547 172.708 174.600 -0.576 0.000 1.159 15 S CA -1.183 56.685 58.200 -0.553 0.000 0.815 15 S CB 1.430 64.511 63.200 -0.197 0.000 1.130 15 S HN 0.141 nan 8.310 nan 0.000 0.471 16 C N 1.136 120.194 119.300 -0.403 0.000 2.351 16 C HA 0.803 5.261 4.460 -0.003 0.000 0.326 16 C C -0.591 174.329 174.990 -0.116 0.000 1.272 16 C CA -0.225 58.724 59.018 -0.114 0.000 1.650 16 C CB -0.027 27.759 27.740 0.076 0.000 2.257 16 C HN 0.896 nan 8.230 nan 0.000 0.505 17 K N 3.780 124.126 120.400 -0.090 0.000 2.259 17 K HA 0.753 5.071 4.320 -0.003 0.000 0.252 17 K C -1.400 175.071 176.600 -0.215 0.000 0.936 17 K CA -0.564 55.587 56.287 -0.227 0.000 0.810 17 K CB 2.135 34.591 32.500 -0.074 0.000 1.143 17 K HN 0.443 nan 8.250 nan 0.000 0.427 18 V N 2.821 122.473 119.914 -0.437 0.000 2.443 18 V HA 0.361 4.479 4.120 -0.003 0.000 0.293 18 V C -0.567 175.374 176.094 -0.256 0.000 1.021 18 V CA -0.759 61.396 62.300 -0.241 0.000 0.848 18 V CB 1.387 33.078 31.823 -0.221 0.000 0.998 18 V HN 0.643 nan 8.190 nan 0.000 0.424 19 R N 4.175 124.670 120.500 -0.008 0.000 2.287 19 R HA 0.526 4.864 4.340 -0.003 0.000 0.316 19 R C -1.032 175.330 176.300 0.102 0.000 1.050 19 R CA -0.392 55.794 56.100 0.145 0.000 0.983 19 R CB 1.301 31.759 30.300 0.262 0.000 1.140 19 R HN 0.573 nan 8.270 nan 0.000 0.528 20 V N 4.041 123.996 119.914 0.068 0.000 2.479 20 V HA 0.118 4.236 4.120 -0.003 0.000 0.281 20 V C 0.693 176.812 176.094 0.040 0.000 1.031 20 V CA 0.293 62.623 62.300 0.051 0.000 1.038 20 V CB 0.994 32.832 31.823 0.026 0.000 0.981 20 V HN 0.812 nan 8.190 nan 0.000 0.478 21 T N 1.925 116.498 114.554 0.032 0.000 2.903 21 T HA 0.296 4.644 4.350 -0.003 0.000 0.299 21 T C -0.756 173.910 174.700 -0.058 0.000 1.093 21 T CA -0.864 61.214 62.100 -0.038 0.000 1.002 21 T CB 1.926 70.748 68.868 -0.077 0.000 1.127 21 T HN 0.675 nan 8.240 nan 0.000 0.488 22 D N 1.762 122.072 120.400 -0.151 0.000 2.401 22 D HA 0.250 4.888 4.640 -0.003 0.000 0.254 22 D C 1.386 177.626 176.300 -0.100 0.000 1.192 22 D CA 0.213 54.139 54.000 -0.123 0.000 0.885 22 D CB 1.474 42.175 40.800 -0.165 0.000 1.147 22 D HN 0.742 nan 8.370 nan 0.000 0.478 23 A N 4.323 127.189 122.820 0.076 0.000 1.972 23 A HA -0.184 4.134 4.320 -0.003 0.000 0.219 23 A C 1.934 179.740 177.584 0.369 0.000 1.169 23 A CA 1.406 53.606 52.037 0.271 0.000 0.635 23 A CB -0.231 18.890 19.000 0.202 0.000 0.810 23 A HN 0.781 nan 8.150 nan 0.000 0.446 24 E N -0.768 119.539 120.200 0.178 0.000 2.122 24 E HA -0.111 4.237 4.350 -0.003 0.000 0.190 24 E C 1.885 178.584 176.600 0.164 0.000 0.977 24 E CA 1.511 58.030 56.400 0.198 0.000 0.820 24 E CB 0.069 29.825 29.700 0.092 0.000 0.770 24 E HN 0.705 nan 8.360 nan 0.000 0.462 25 T N -4.425 110.034 114.554 -0.159 0.000 2.990 25 T HA 0.306 4.654 4.350 -0.003 0.000 0.250 25 T C 1.476 175.548 174.700 -1.048 0.000 1.041 25 T CA 0.592 62.475 62.100 -0.361 0.000 1.010 25 T CB 0.852 69.583 68.868 -0.228 0.000 1.003 25 T HN 0.278 nan 8.240 nan 0.000 0.499 26 G N 1.464 109.209 108.800 -1.758 0.000 2.179 26 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.260 26 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.260 26 G C -0.159 174.221 174.900 -0.866 0.000 0.977 26 G CA 0.166 43.919 45.100 -2.245 0.000 0.641 26 G HN 0.674 nan 8.290 nan 0.000 0.533 27 E N -0.091 119.784 120.200 -0.543 0.000 2.414 27 E HA 0.331 4.679 4.350 -0.003 0.000 0.263 27 E C 0.745 177.216 176.600 -0.214 0.000 1.000 27 E CA -0.361 55.867 56.400 -0.287 0.000 0.914 27 E CB 0.964 30.544 29.700 -0.199 0.000 0.948 27 E HN 0.423 nan 8.360 nan 0.000 0.444 28 L N 3.973 125.112 121.223 -0.140 0.000 2.410 28 L HA -0.015 4.323 4.340 -0.003 0.000 0.273 28 L C 0.377 177.215 176.870 -0.053 0.000 1.152 28 L CA -0.162 54.634 54.840 -0.074 0.000 0.855 28 L CB 0.663 42.687 42.059 -0.060 0.000 1.129 28 L HN 0.435 nan 8.230 nan 0.000 0.463 29 V N 4.373 124.274 119.914 -0.022 0.000 2.854 29 V HA 0.293 4.411 4.120 -0.003 0.000 0.236 29 V C 0.744 176.845 176.094 0.012 0.000 1.157 29 V CA 0.344 62.635 62.300 -0.015 0.000 1.187 29 V CB 0.093 31.905 31.823 -0.018 0.000 0.949 29 V HN 0.775 nan 8.190 nan 0.000 0.488 30 R N -1.174 119.350 120.500 0.039 0.000 2.836 30 R HA 0.636 4.974 4.340 -0.003 0.000 0.269 30 R C -1.832 174.558 176.300 0.149 0.000 1.010 30 R CA -0.464 55.674 56.100 0.064 0.000 0.930 30 R CB 2.672 32.986 30.300 0.023 0.000 1.218 30 R HN 0.190 nan 8.270 nan 0.000 0.473 31 F N -0.518 119.408 119.950 -0.039 0.000 2.631 31 F HA 0.714 5.238 4.527 -0.004 0.000 0.308 31 F C -1.020 174.751 175.800 -0.047 0.000 1.097 31 F CA -0.230 57.747 58.000 -0.039 0.000 0.952 31 F CB 2.713 41.690 39.000 -0.038 0.000 1.307 31 F HN 0.635 nan 8.300 nan 0.000 0.450 32 G N 3.004 111.345 108.800 -0.764 0.000 2.698 32 G HA2 0.529 4.487 3.960 -0.003 0.000 0.293 32 G HA3 0.529 4.487 3.960 -0.003 0.000 0.293 32 G C -2.547 171.957 174.900 -0.660 0.000 1.437 32 G CA -0.680 44.130 45.100 -0.484 0.000 0.852 32 G HN 0.788 nan 8.290 nan 0.000 0.499 33 Q N -0.479 119.128 119.800 -0.323 0.000 2.426 33 Q HA 0.681 5.019 4.340 -0.003 0.000 0.278 33 Q C -1.619 174.307 176.000 -0.125 0.000 1.007 33 Q CA -0.793 54.874 55.803 -0.228 0.000 0.850 33 Q CB 2.357 31.046 28.738 -0.082 0.000 1.427 33 Q HN 1.451 nan 8.270 nan 0.000 0.391 34 A N 2.769 125.522 122.820 -0.112 0.000 2.572 34 A HA 0.729 5.047 4.320 -0.003 0.000 0.295 34 A C -1.574 175.965 177.584 -0.075 0.000 1.072 34 A CA -0.833 51.166 52.037 -0.064 0.000 0.691 34 A CB 1.826 20.800 19.000 -0.044 0.000 1.291 34 A HN 0.534 nan 8.150 nan 0.000 0.404 35 K N 1.204 121.593 120.400 -0.017 0.000 2.144 35 K HA 0.372 4.690 4.320 -0.003 0.000 0.270 35 K C -0.631 176.030 176.600 0.101 0.000 1.005 35 K CA -0.077 56.205 56.287 -0.008 0.000 0.932 35 K CB 0.710 33.227 32.500 0.027 0.000 1.021 35 K HN 0.854 nan 8.250 nan 0.000 0.462 36 H N 1.343 120.487 119.070 0.123 0.000 2.483 36 H HA 0.242 4.796 4.556 -0.003 0.000 0.338 36 H C -1.877 173.470 175.328 0.031 0.000 1.152 36 H CA -2.024 54.115 56.048 0.151 0.000 1.264 36 H CB 0.935 30.854 29.762 0.262 0.000 1.510 36 H HN 0.301 nan 8.280 nan 0.000 0.530 37 P HA -0.031 nan 4.420 nan 0.000 0.268 37 P C -0.746 176.545 177.300 -0.016 0.000 1.208 37 P CA -0.050 62.975 63.100 -0.125 0.000 0.777 37 P CB 0.576 32.010 31.700 -0.443 0.000 0.875 38 N N -0.010 118.674 118.700 -0.027 0.000 2.399 38 N HA 0.523 5.261 4.740 -0.003 0.000 0.250 38 N C 0.175 175.668 175.510 -0.028 0.000 1.272 38 N CA 0.347 53.396 53.050 -0.001 0.000 0.928 38 N CB 0.266 38.749 38.487 -0.008 0.000 1.158 38 N HN 0.699 nan 8.380 nan 0.000 0.463 39 G N -1.393 107.394 108.800 -0.022 0.000 2.402 39 G HA2 -0.041 3.917 3.960 -0.003 0.000 0.666 39 G HA3 -0.041 3.917 3.960 -0.003 0.000 0.666 39 G C 0.141 175.006 174.900 -0.058 0.000 1.402 39 G CA -0.265 44.804 45.100 -0.051 0.000 0.920 39 G HN 0.584 nan 8.290 nan 0.000 0.651 40 T N -2.310 112.180 114.554 -0.108 0.000 3.086 40 T HA 0.577 4.925 4.350 -0.003 0.000 0.250 40 T C 0.862 175.483 174.700 -0.132 0.000 1.074 40 T CA 1.043 63.045 62.100 -0.163 0.000 0.988 40 T CB 0.254 68.987 68.868 -0.226 0.000 0.988 40 T HN 0.974 nan 8.240 nan 0.000 0.530 41 S N -0.044 115.593 115.700 -0.104 0.000 2.569 41 S HA 0.800 5.268 4.470 -0.003 0.000 0.280 41 S C -1.458 173.089 174.600 -0.089 0.000 1.111 41 S CA -0.676 57.464 58.200 -0.101 0.000 0.887 41 S CB 2.402 65.513 63.200 -0.147 0.000 1.095 41 S HN 0.316 nan 8.310 nan 0.000 0.476 42 V N 1.587 121.426 119.914 -0.125 0.000 3.167 42 V HA 0.403 4.521 4.120 -0.003 0.000 0.293 42 V C -1.948 173.944 176.094 -0.336 0.000 1.379 42 V CA -0.826 61.363 62.300 -0.185 0.000 1.019 42 V CB 2.306 34.038 31.823 -0.152 0.000 1.115 42 V HN 0.926 nan 8.190 nan 0.000 0.442 43 D N 5.668 125.931 120.400 -0.229 0.000 2.339 43 D HA 0.376 5.014 4.640 -0.003 0.000 0.256 43 D C -1.768 174.169 176.300 -0.606 0.000 1.214 43 D CA -1.803 52.014 54.000 -0.304 0.000 0.877 43 D CB 2.123 42.869 40.800 -0.090 0.000 1.111 43 D HN 0.306 nan 8.370 nan 0.000 0.478 44 P HA -0.103 nan 4.420 nan 0.000 0.221 44 P C 1.338 178.354 177.300 -0.473 0.000 1.145 44 P CA 0.713 63.005 63.100 -1.347 0.000 0.795 44 P CB 0.297 30.996 31.700 -1.669 0.000 0.775 45 S N -1.570 113.976 115.700 -0.257 0.000 2.392 45 S HA -0.232 4.236 4.470 -0.003 0.000 0.232 45 S C 1.531 176.136 174.600 0.007 0.000 1.041 45 S CA 1.427 59.621 58.200 -0.009 0.000 1.026 45 S CB -1.134 61.948 63.200 -0.196 0.000 0.845 45 S HN 0.256 nan 8.310 nan 0.000 0.465 46 Y N -0.158 120.119 120.300 -0.038 0.000 2.352 46 Y HA -0.094 4.453 4.550 -0.004 0.000 0.292 46 Y C 2.093 178.135 175.900 0.236 0.000 1.136 46 Y CA 0.514 58.646 58.100 0.053 0.000 1.227 46 Y CB -0.385 38.048 38.460 -0.044 0.000 0.991 46 Y HN 0.350 nan 8.280 nan 0.000 0.545 47 W N -1.222 120.226 121.300 0.247 0.000 2.418 47 W HA -0.195 4.462 4.660 -0.004 0.000 0.292 47 W C 2.411 179.234 176.519 0.506 0.000 1.213 47 W CA 0.128 57.635 57.345 0.269 0.000 1.283 47 W CB -1.557 28.040 29.460 0.229 0.000 1.119 47 W HN 0.279 nan 8.180 nan 0.000 0.542 48 W N 1.222 122.904 121.300 0.635 0.000 2.379 48 W HA -0.210 4.448 4.660 -0.003 0.000 0.307 48 W C 1.927 178.675 176.519 0.381 0.000 1.200 48 W CA 2.095 59.723 57.345 0.472 0.000 1.297 48 W CB -0.539 29.143 29.460 0.369 0.000 1.140 48 W HN -0.257 nan 8.180 nan 0.000 0.507 49 S N 0.935 116.771 115.700 0.227 0.000 2.368 49 S HA -0.160 4.308 4.470 -0.003 0.000 0.225 49 S C 2.081 176.706 174.600 0.042 0.000 1.030 49 S CA 1.642 59.875 58.200 0.054 0.000 0.999 49 S CB -0.757 62.529 63.200 0.143 0.000 0.844 49 S HN 0.376 nan 8.310 nan 0.000 0.459 50 A N 1.063 124.021 122.820 0.228 0.000 1.902 50 A HA -0.086 4.232 4.320 -0.003 0.000 0.217 50 A C 1.900 179.532 177.584 0.080 0.000 1.181 50 A CA 1.523 53.686 52.037 0.211 0.000 0.623 50 A CB -0.901 18.366 19.000 0.444 0.000 0.818 50 A HN 0.517 nan 8.150 nan 0.000 0.443 51 F N 0.659 120.597 119.950 -0.021 0.000 2.095 51 F HA -0.226 4.300 4.527 -0.001 0.000 0.298 51 F C 2.452 178.063 175.800 -0.315 0.000 1.104 51 F CA 2.309 60.213 58.000 -0.161 0.000 1.232 51 F CB -0.407 38.483 39.000 -0.183 0.000 0.987 51 F HN 0.284 nan 8.300 nan 0.000 0.475 52 Q N 0.048 119.459 119.800 -0.648 0.000 2.084 52 Q HA -0.268 4.070 4.340 -0.003 0.000 0.202 52 Q C 2.344 178.066 176.000 -0.463 0.000 0.978 52 Q CA 2.025 57.415 55.803 -0.688 0.000 0.844 52 Q CB -0.451 27.959 28.738 -0.545 0.000 0.898 52 Q HN 0.660 nan 8.270 nan 0.000 0.426 53 E N -0.005 120.017 120.200 -0.298 0.000 2.106 53 E HA -0.151 4.197 4.350 -0.003 0.000 0.192 53 E C 1.858 178.319 176.600 -0.233 0.000 0.984 53 E CA 0.813 57.093 56.400 -0.199 0.000 0.806 53 E CB 0.018 29.658 29.700 -0.101 0.000 0.750 53 E HN 0.291 nan 8.360 nan 0.000 0.458 54 A N 1.406 124.058 122.820 -0.279 0.000 1.877 54 A HA -0.079 4.239 4.320 -0.003 0.000 0.216 54 A C 2.418 179.779 177.584 -0.373 0.000 1.186 54 A CA 1.820 53.676 52.037 -0.301 0.000 0.620 54 A CB -0.776 18.058 19.000 -0.275 0.000 0.822 54 A HN 0.408 nan 8.150 nan 0.000 0.443 55 A N -0.632 121.860 122.820 -0.546 0.000 1.933 55 A HA -0.131 4.187 4.320 -0.003 0.000 0.218 55 A C 1.962 179.357 177.584 -0.316 0.000 1.175 55 A CA 1.673 53.403 52.037 -0.511 0.000 0.628 55 A CB -0.412 18.090 19.000 -0.830 0.000 0.814 55 A HN 0.447 nan 8.150 nan 0.000 0.444 56 E N -0.416 119.610 120.200 -0.291 0.000 2.077 56 E HA -0.241 4.107 4.350 -0.003 0.000 0.193 56 E C 2.131 178.645 176.600 -0.143 0.000 0.989 56 E CA 1.483 57.772 56.400 -0.184 0.000 0.800 56 E CB -0.413 29.191 29.700 -0.159 0.000 0.746 56 E HN 0.841 nan 8.360 nan 0.000 0.452 57 Q N 0.045 119.752 119.800 -0.154 0.000 2.170 57 Q HA -0.074 4.264 4.340 -0.003 0.000 0.203 57 Q C 1.529 177.466 176.000 -0.104 0.000 0.976 57 Q CA 1.302 57.036 55.803 -0.114 0.000 0.858 57 Q CB -0.018 28.650 28.738 -0.116 0.000 0.907 57 Q HN 0.167 nan 8.270 nan 0.000 0.433 58 A N -0.466 122.266 122.820 -0.146 0.000 2.259 58 A HA 0.305 4.623 4.320 -0.003 0.000 0.208 58 A C 1.229 178.767 177.584 -0.077 0.000 1.201 58 A CA 0.678 52.647 52.037 -0.113 0.000 0.824 58 A CB -0.467 18.436 19.000 -0.163 0.000 0.838 58 A HN 0.578 nan 8.150 nan 0.000 0.485 59 G N -1.966 106.787 108.800 -0.079 0.000 2.137 59 G HA2 0.236 4.194 3.960 -0.003 0.000 0.237 59 G HA3 0.236 4.194 3.960 -0.003 0.000 0.237 59 G C 1.302 176.166 174.900 -0.059 0.000 1.002 59 G CA 0.416 45.481 45.100 -0.057 0.000 0.702 59 G HN 2.388 nan 8.290 nan 0.000 0.515 60 G N -1.633 107.115 108.800 -0.087 0.000 2.828 60 G HA2 0.086 4.044 3.960 -0.003 0.000 0.463 60 G HA3 0.086 4.044 3.960 -0.003 0.000 0.463 60 G C 0.226 175.095 174.900 -0.051 0.000 1.394 60 G CA -0.104 44.949 45.100 -0.078 0.000 0.862 60 G HN 1.313 nan 8.290 nan 0.000 0.540 61 L N -0.151 121.056 121.223 -0.025 0.000 3.267 61 L HA 0.261 4.599 4.340 -0.003 0.000 0.289 61 L C 1.093 177.974 176.870 0.019 0.000 1.260 61 L CA -0.304 54.541 54.840 0.008 0.000 1.034 61 L CB 0.661 42.746 42.059 0.042 0.000 1.413 61 L HN 0.473 nan 8.230 nan 0.000 0.594 62 D N 1.425 121.829 120.400 0.007 0.000 2.218 62 D HA -0.150 4.488 4.640 -0.003 0.000 0.204 62 D C 1.095 177.402 176.300 0.012 0.000 0.976 62 D CA 1.312 55.317 54.000 0.009 0.000 0.853 62 D CB 0.152 40.953 40.800 0.001 0.000 0.939 62 D HN 0.504 nan 8.370 nan 0.000 0.481 63 D N -0.214 120.193 120.400 0.012 0.000 2.427 63 D HA 0.026 4.664 4.640 -0.003 0.000 0.224 63 D C 0.016 176.330 176.300 0.024 0.000 1.157 63 D CA -0.264 53.745 54.000 0.015 0.000 0.828 63 D CB -0.028 40.778 40.800 0.010 0.000 0.974 63 D HN -0.111 nan 8.370 nan 0.000 0.498 64 V N 0.619 120.552 119.914 0.032 0.000 2.435 64 V HA 0.234 4.352 4.120 -0.003 0.000 0.290 64 V C 0.960 177.083 176.094 0.048 0.000 1.030 64 V CA -0.426 61.901 62.300 0.046 0.000 0.881 64 V CB 1.720 33.577 31.823 0.057 0.000 0.983 64 V HN 0.061 nan 8.190 nan 0.000 0.445 65 S N 2.505 118.237 115.700 0.054 0.000 2.492 65 S HA 0.512 4.980 4.470 -0.003 0.000 0.218 65 S C 0.462 175.094 174.600 0.053 0.000 1.016 65 S CA 0.593 58.822 58.200 0.049 0.000 0.916 65 S CB 0.540 63.770 63.200 0.049 0.000 0.791 65 S HN 0.987 nan 8.310 nan 0.000 0.513 66 A N 0.723 123.585 122.820 0.070 0.000 2.604 66 A HA 0.783 5.101 4.320 -0.003 0.000 0.295 66 A C -1.772 175.868 177.584 0.093 0.000 1.067 66 A CA -0.586 51.493 52.037 0.071 0.000 0.683 66 A CB 1.163 20.204 19.000 0.068 0.000 1.281 66 A HN 0.276 nan 8.150 nan 0.000 0.407 67 L N 0.909 122.190 121.223 0.096 0.000 2.445 67 L HA 0.921 5.259 4.340 -0.003 0.000 0.262 67 L C -0.592 176.350 176.870 0.120 0.000 0.974 67 L CA -0.436 54.475 54.840 0.117 0.000 0.822 67 L CB 2.010 44.146 42.059 0.129 0.000 1.339 67 L HN 1.440 nan 8.230 nan 0.000 0.409 68 A N 3.753 126.646 122.820 0.123 0.000 2.414 68 A HA 0.799 5.117 4.320 -0.003 0.000 0.306 68 A C -1.624 176.022 177.584 0.103 0.000 1.054 68 A CA -0.526 51.581 52.037 0.117 0.000 0.724 68 A CB 2.081 21.133 19.000 0.086 0.000 1.267 68 A HN 0.423 nan 8.150 nan 0.000 0.418 69 V N 1.665 121.641 119.914 0.103 0.000 2.384 69 V HA 0.627 4.745 4.120 -0.003 0.000 0.287 69 V C 0.833 176.900 176.094 -0.045 0.000 1.020 69 V CA -0.130 62.215 62.300 0.075 0.000 0.850 69 V CB 1.408 33.310 31.823 0.132 0.000 0.987 69 V HN 1.153 nan 8.190 nan 0.000 0.436 70 G N 2.873 111.649 108.800 -0.041 0.000 2.356 70 G HA2 0.649 4.607 3.960 -0.003 0.000 0.298 70 G HA3 0.649 4.607 3.960 -0.003 0.000 0.298 70 G C -0.051 174.814 174.900 -0.058 0.000 1.145 70 G CA -0.174 44.864 45.100 -0.103 0.000 0.850 70 G HN 1.035 nan 8.290 nan 0.000 0.487 71 G N 0.949 109.701 108.800 -0.081 0.000 2.563 71 G HA2 0.566 4.524 3.960 -0.003 0.000 0.302 71 G HA3 0.566 4.524 3.960 -0.003 0.000 0.302 71 G C -0.225 174.608 174.900 -0.111 0.000 1.301 71 G CA -0.821 44.243 45.100 -0.060 0.000 0.965 71 G HN 0.908 nan 8.290 nan 0.000 0.480 72 Q N 0.914 120.638 119.800 -0.127 0.000 2.304 72 Q HA 0.094 4.432 4.340 -0.003 0.000 0.301 72 Q C -0.194 175.718 176.000 -0.147 0.000 1.063 72 Q CA 0.294 56.015 55.803 -0.136 0.000 0.947 72 Q CB 0.731 29.451 28.738 -0.029 0.000 1.201 72 Q HN 0.498 nan 8.270 nan 0.000 0.389 73 Q N 1.111 120.759 119.800 -0.255 0.000 2.443 73 Q HA 0.043 4.381 4.340 -0.003 0.000 0.232 73 Q C -0.256 175.589 176.000 -0.258 0.000 1.026 73 Q CA 0.191 55.709 55.803 -0.475 0.000 0.924 73 Q CB 0.400 28.535 28.738 -1.004 0.000 1.256 73 Q HN 0.983 nan 8.270 nan 0.000 0.519 74 H N -1.562 117.512 119.070 0.008 0.000 4.737 74 H HA -0.223 4.332 4.556 -0.003 0.000 0.093 74 H C 0.934 176.324 175.328 0.103 0.000 0.595 74 H CA 0.627 56.717 56.048 0.070 0.000 1.158 74 H CB -1.760 28.120 29.762 0.196 0.000 0.523 74 H HN 0.812 nan 8.280 nan 0.000 0.687 78 I N 2.978 123.503 120.570 -0.075 0.000 2.377 78 I HA 0.830 4.998 4.170 -0.003 0.000 0.293 78 I C -0.782 175.299 176.117 -0.061 0.000 0.987 78 I CA -0.676 60.589 61.300 -0.058 0.000 1.185 78 I CB 1.707 39.690 38.000 -0.028 0.000 1.341 78 I HN 0.399 nan 8.210 nan 0.000 0.455 79 L N 4.918 126.106 121.223 -0.057 0.000 2.346 79 L HA 0.515 4.853 4.340 -0.003 0.000 0.274 79 L C -0.368 176.493 176.870 -0.016 0.000 1.007 79 L CA -0.880 53.941 54.840 -0.032 0.000 0.818 79 L CB 1.830 43.847 42.059 -0.071 0.000 1.284 79 L HN 0.721 nan 8.230 nan 0.000 0.424 80 D N 0.204 120.610 120.400 0.011 0.000 2.478 80 D HA 0.057 4.695 4.640 -0.003 0.000 0.269 80 D C 0.521 176.831 176.300 0.016 0.000 1.232 80 D CA -0.457 53.552 54.000 0.015 0.000 1.059 80 D CB 0.364 41.175 40.800 0.019 0.000 1.104 80 D HN 0.488 nan 8.370 nan 0.000 0.566 81 N N -1.149 117.558 118.700 0.011 0.000 2.258 81 N HA -0.196 4.542 4.740 -0.003 0.000 0.187 81 N C 1.070 176.597 175.510 0.027 0.000 1.012 81 N CA 0.898 53.952 53.050 0.007 0.000 0.870 81 N CB -0.039 38.446 38.487 -0.003 0.000 0.977 81 N HN 0.444 nan 8.380 nan 0.000 0.434 82 Q N -0.820 119.007 119.800 0.045 0.000 2.247 82 Q HA 0.164 4.502 4.340 -0.003 0.000 0.204 82 Q C 0.762 176.837 176.000 0.124 0.000 0.872 82 Q CA 0.034 55.877 55.803 0.066 0.000 0.951 82 Q CB 1.113 29.881 28.738 0.049 0.000 1.099 82 Q HN 0.414 nan 8.270 nan 0.000 0.501 83 G N 1.374 110.264 108.800 0.150 0.000 2.162 83 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.260 83 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.260 83 G C -0.192 174.867 174.900 0.265 0.000 0.976 83 G CA 0.139 45.406 45.100 0.278 0.000 0.655 83 G HN 0.395 nan 8.290 nan 0.000 0.533 84 N N -0.339 118.453 118.700 0.152 0.000 2.530 84 N HA 0.424 5.162 4.740 -0.003 0.000 0.273 84 N C 0.419 175.979 175.510 0.085 0.000 1.173 84 N CA -0.329 52.794 53.050 0.121 0.000 0.967 84 N CB 1.522 40.048 38.487 0.066 0.000 1.109 84 N HN 0.086 nan 8.380 nan 0.000 0.453 85 V N 3.557 123.508 119.914 0.061 0.000 2.485 85 V HA -0.023 4.095 4.120 -0.003 0.000 0.287 85 V C 1.497 177.567 176.094 -0.040 0.000 1.022 85 V CA 0.250 62.526 62.300 -0.041 0.000 1.067 85 V CB 0.204 31.929 31.823 -0.164 0.000 0.967 85 V HN 0.687 nan 8.190 nan 0.000 0.479 86 I N 4.468 125.016 120.570 -0.037 0.000 2.286 86 I HA -0.040 4.128 4.170 -0.003 0.000 0.245 86 I C 1.226 177.331 176.117 -0.020 0.000 1.104 86 I CA 1.211 62.501 61.300 -0.017 0.000 1.397 86 I CB -0.024 37.975 38.000 -0.002 0.000 1.072 86 I HN 0.792 nan 8.210 nan 0.000 0.417 87 R N -0.772 119.705 120.500 -0.039 0.000 2.747 87 R HA 0.320 4.658 4.340 -0.003 0.000 0.272 87 R C -1.511 174.741 176.300 -0.081 0.000 1.032 87 R CA -0.920 55.161 56.100 -0.031 0.000 0.896 87 R CB 0.548 30.861 30.300 0.022 0.000 1.253 87 R HN -0.304 nan 8.270 nan 0.000 0.461 88 D N 0.808 121.157 120.400 -0.085 0.000 2.472 88 D HA 0.261 4.899 4.640 -0.003 0.000 0.237 88 D C 0.319 176.530 176.300 -0.148 0.000 1.141 88 D CA 0.845 54.760 54.000 -0.142 0.000 0.875 88 D CB 1.070 41.798 40.800 -0.120 0.000 1.192 88 D HN 0.682 nan 8.370 nan 0.000 0.450 92 W N 1.294 122.662 121.300 0.114 0.000 2.331 92 W HA -0.162 4.496 4.660 -0.004 0.000 0.291 92 W C 0.972 177.519 176.519 0.046 0.000 1.214 92 W CA 1.961 59.387 57.345 0.136 0.000 1.228 92 W CB -0.927 28.680 29.460 0.245 0.000 1.135 92 W HN 0.859 nan 8.180 nan 0.000 0.537 93 N N 1.067 119.125 118.700 -1.070 0.000 2.236 93 N HA -0.026 4.712 4.740 -0.003 0.000 0.196 93 N C -0.566 174.630 175.510 -0.524 0.000 1.114 93 N CA 0.186 52.596 53.050 -1.066 0.000 0.859 93 N CB -0.825 36.653 38.487 -1.681 0.000 0.982 93 N HN 0.105 nan 8.380 nan 0.000 0.493 94 D N 0.539 120.716 120.400 -0.371 0.000 2.425 94 D HA 0.051 4.689 4.640 -0.003 0.000 0.247 94 D C 0.923 177.082 176.300 -0.235 0.000 1.147 94 D CA 0.256 54.091 54.000 -0.275 0.000 0.879 94 D CB 0.911 41.558 40.800 -0.256 0.000 1.179 94 D HN 0.271 nan 8.370 nan 0.000 0.456 95 T N -0.432 113.997 114.554 -0.207 0.000 3.054 95 T HA 0.101 4.449 4.350 -0.003 0.000 0.255 95 T C 1.645 176.258 174.700 -0.144 0.000 1.035 95 T CA -0.225 61.780 62.100 -0.158 0.000 0.941 95 T CB 0.028 68.823 68.868 -0.122 0.000 1.026 95 T HN 0.212 nan 8.240 nan 0.000 0.533 96 S N 2.777 118.344 115.700 -0.220 0.000 2.387 96 S HA -0.141 4.327 4.470 -0.003 0.000 0.230 96 S C 2.150 176.676 174.600 -0.124 0.000 1.035 96 S CA 1.769 59.815 58.200 -0.257 0.000 1.014 96 S CB -0.454 62.340 63.200 -0.677 0.000 0.836 96 S HN 0.863 nan 8.310 nan 0.000 0.466 97 S N 1.000 116.614 115.700 -0.144 0.000 2.631 97 S HA 0.443 4.911 4.470 -0.003 0.000 0.217 97 S C 1.645 176.262 174.600 0.028 0.000 0.958 97 S CA 0.383 58.600 58.200 0.028 0.000 0.920 97 S CB -0.066 63.129 63.200 -0.008 0.000 0.776 97 S HN 0.459 nan 8.310 nan 0.000 0.517 98 A N 3.287 126.101 122.820 -0.010 0.000 1.917 98 A HA 0.005 4.323 4.320 -0.003 0.000 0.219 98 A C 0.036 177.624 177.584 0.006 0.000 1.182 98 A CA 1.613 53.635 52.037 -0.025 0.000 0.633 98 A CB -1.873 17.108 19.000 -0.033 0.000 0.819 98 A HN 0.542 nan 8.150 nan 0.000 0.448 99 P HA -0.130 nan 4.420 nan 0.000 0.217 99 P C 1.294 178.622 177.300 0.048 0.000 1.150 99 P CA 1.391 64.520 63.100 0.048 0.000 0.832 99 P CB -0.065 31.677 31.700 0.071 0.000 0.787 100 Q N -0.536 119.310 119.800 0.075 0.000 2.119 100 Q HA -0.062 4.276 4.340 -0.003 0.000 0.201 100 Q C 2.250 178.263 176.000 0.021 0.000 0.972 100 Q CA 1.820 57.664 55.803 0.069 0.000 0.847 100 Q CB -1.342 27.468 28.738 0.120 0.000 0.903 100 Q HN 0.162 nan 8.270 nan 0.000 0.433 101 A N 0.618 123.425 122.820 -0.021 0.000 1.877 101 A HA -0.124 4.194 4.320 -0.003 0.000 0.216 101 A C 2.264 179.802 177.584 -0.076 0.000 1.186 101 A CA 1.767 53.746 52.037 -0.096 0.000 0.620 101 A CB -1.071 17.846 19.000 -0.138 0.000 0.822 101 A HN 0.384 nan 8.150 nan 0.000 0.443 102 A N -0.102 122.699 122.820 -0.032 0.000 1.883 102 A HA 0.113 4.431 4.320 -0.003 0.000 0.217 102 A C 2.533 180.135 177.584 0.030 0.000 1.186 102 A CA 2.333 54.367 52.037 -0.004 0.000 0.624 102 A CB -1.111 17.891 19.000 0.004 0.000 0.822 102 A HN 1.117 nan 8.150 nan 0.000 0.444 103 A N -0.424 122.421 122.820 0.041 0.000 1.933 103 A HA -0.037 4.281 4.320 -0.003 0.000 0.218 103 A C 2.173 179.828 177.584 0.119 0.000 1.175 103 A CA 1.482 53.561 52.037 0.070 0.000 0.628 103 A CB -0.623 18.414 19.000 0.062 0.000 0.814 103 A HN 0.478 nan 8.150 nan 0.000 0.444 104 L N -0.673 120.621 121.223 0.119 0.000 2.042 104 L HA -0.218 4.120 4.340 -0.003 0.000 0.210 104 L C 2.481 179.624 176.870 0.455 0.000 1.076 104 L CA 1.393 56.386 54.840 0.256 0.000 0.749 104 L CB -0.500 41.584 42.059 0.041 0.000 0.893 104 L HN 0.396 nan 8.230 nan 0.000 0.432 105 I N -0.481 120.235 120.570 0.244 0.000 2.179 105 I HA -0.284 3.884 4.170 -0.003 0.000 0.242 105 I C 2.482 178.758 176.117 0.264 0.000 1.088 105 I CA 1.397 62.889 61.300 0.321 0.000 1.357 105 I CB -0.287 37.794 38.000 0.134 0.000 1.051 105 I HN 0.258 nan 8.210 nan 0.000 0.409 106 E N 0.531 120.830 120.200 0.166 0.000 2.110 106 E HA -0.291 4.057 4.350 -0.003 0.000 0.193 106 E C 2.066 178.739 176.600 0.122 0.000 0.988 106 E CA 1.173 57.644 56.400 0.118 0.000 0.804 106 E CB -0.044 29.706 29.700 0.082 0.000 0.745 106 E HN 0.219 nan 8.360 nan 0.000 0.458 107 K N 1.240 121.733 120.400 0.155 0.000 2.026 107 K HA -0.085 4.233 4.320 -0.003 0.000 0.208 107 K C 1.906 178.564 176.600 0.097 0.000 1.048 107 K CA 0.962 57.325 56.287 0.127 0.000 0.929 107 K CB -0.246 32.346 32.500 0.153 0.000 0.713 107 K HN 0.067 nan 8.250 nan 0.000 0.439 108 L N -0.549 120.752 121.223 0.131 0.000 2.217 108 L HA -0.003 4.335 4.340 -0.003 0.000 0.211 108 L C 2.034 178.897 176.870 -0.011 0.000 1.107 108 L CA 1.395 56.216 54.840 -0.031 0.000 0.783 108 L CB -0.482 41.397 42.059 -0.301 0.000 0.919 108 L HN 0.482 nan 8.230 nan 0.000 0.442 109 G N -1.383 107.455 108.800 0.063 0.000 2.623 109 G HA2 -0.061 3.897 3.960 -0.003 0.000 0.214 109 G HA3 -0.061 3.897 3.960 -0.003 0.000 0.214 109 G C 1.690 176.609 174.900 0.030 0.000 1.138 109 G CA 0.600 45.729 45.100 0.048 0.000 0.794 109 G HN 0.438 nan 8.290 nan 0.000 0.535 110 A N 1.339 124.179 122.820 0.032 0.000 1.873 110 A HA 0.338 4.656 4.320 -0.003 0.000 0.218 110 A C 1.984 179.574 177.584 0.010 0.000 1.193 110 A CA 1.389 53.440 52.037 0.024 0.000 0.629 110 A CB -0.978 18.038 19.000 0.027 0.000 0.826 110 A HN 1.055 nan 8.150 nan 0.000 0.447 111 A N 0.584 123.404 122.820 -0.001 0.000 2.561 111 A HA 0.416 4.734 4.320 -0.003 0.000 0.234 111 A C -2.071 175.509 177.584 -0.006 0.000 1.055 111 A CA -0.697 51.336 52.037 -0.007 0.000 0.756 111 A CB -0.638 18.350 19.000 -0.019 0.000 0.986 111 A HN 0.344 nan 8.150 nan 0.000 0.505 112 P HA 0.253 nan 4.420 nan 0.000 0.268 112 P C 0.015 177.311 177.300 -0.007 0.000 1.208 112 P CA 0.376 63.474 63.100 -0.003 0.000 0.777 112 P CB 0.418 32.115 31.700 -0.004 0.000 0.875 113 A N 2.909 125.727 122.820 -0.004 0.000 2.565 113 A HA 0.051 4.369 4.320 -0.003 0.000 0.237 113 A C 0.352 177.930 177.584 -0.010 0.000 1.053 113 A CA 0.319 52.353 52.037 -0.006 0.000 0.755 113 A CB -0.402 18.597 19.000 -0.002 0.000 0.980 113 A HN 0.438 nan 8.150 nan 0.000 0.506 114 Q N 0.862 120.654 119.800 -0.014 0.000 2.248 114 Q HA 0.288 4.626 4.340 -0.003 0.000 0.263 114 Q C -0.655 175.335 176.000 -0.015 0.000 1.007 114 Q CA -0.527 55.266 55.803 -0.016 0.000 0.877 114 Q CB 0.987 29.712 28.738 -0.022 0.000 1.315 114 Q HN 0.886 nan 8.270 nan 0.000 0.454 115 D N -0.106 120.285 120.400 -0.015 0.000 6.342 115 D HA 0.002 4.640 4.640 -0.003 0.000 0.190 115 D C 0.994 177.285 176.300 -0.016 0.000 1.340 115 D CA 1.240 55.232 54.000 -0.015 0.000 0.816 115 D CB -0.594 40.196 40.800 -0.016 0.000 1.452 115 D HN 0.860 nan 8.370 nan 0.000 0.840 116 G N 1.672 110.465 108.800 -0.012 0.000 2.284 116 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.230 116 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.230 116 G C 0.212 175.107 174.900 -0.010 0.000 1.021 116 G CA -0.021 45.072 45.100 -0.012 0.000 0.619 116 G HN 0.643 nan 8.290 nan 0.000 0.510 117 E N 2.128 122.321 120.200 -0.011 0.000 2.415 117 E HA 0.354 4.702 4.350 -0.003 0.000 0.262 117 E C -2.062 174.538 176.600 -0.000 0.000 1.038 117 E CA -1.263 55.132 56.400 -0.007 0.000 0.921 117 E CB 0.499 30.192 29.700 -0.011 0.000 0.950 117 E HN 0.211 nan 8.360 nan 0.000 0.438 118 P HA -0.067 nan 4.420 nan 0.000 0.267 118 P C 0.306 177.612 177.300 0.010 0.000 1.200 118 P CA 0.113 63.219 63.100 0.010 0.000 0.772 118 P CB 0.614 32.324 31.700 0.018 0.000 0.855 119 E N 0.668 120.873 120.200 0.009 0.000 2.112 119 E HA -0.090 4.258 4.350 -0.003 0.000 0.190 119 E C 0.213 176.821 176.600 0.013 0.000 0.979 119 E CA 0.823 57.229 56.400 0.009 0.000 0.814 119 E CB -0.419 29.286 29.700 0.007 0.000 0.762 119 E HN 0.543 nan 8.360 nan 0.000 0.460 120 D N 0.920 121.329 120.400 0.016 0.000 2.434 120 D HA -0.025 4.613 4.640 -0.003 0.000 0.252 120 D C -1.752 174.564 176.300 0.026 0.000 1.185 120 D CA -1.451 52.560 54.000 0.020 0.000 0.886 120 D CB 1.293 42.105 40.800 0.021 0.000 1.148 120 D HN -0.155 nan 8.370 nan 0.000 0.483 121 P HA -0.129 nan 4.420 nan 0.000 0.218 121 P C 1.383 178.714 177.300 0.052 0.000 1.149 121 P CA 0.674 63.796 63.100 0.036 0.000 0.817 121 P CB 0.182 31.902 31.700 0.034 0.000 0.785 122 I N -0.095 120.506 120.570 0.050 0.000 2.163 122 I HA -0.142 4.026 4.170 -0.003 0.000 0.240 122 I C 2.315 178.474 176.117 0.070 0.000 1.081 122 I CA 1.586 62.923 61.300 0.063 0.000 1.353 122 I CB -1.951 36.078 38.000 0.047 0.000 1.054 122 I HN -0.081 nan 8.210 nan 0.000 0.407 123 A N 0.892 123.743 122.820 0.053 0.000 1.940 123 A HA -0.248 4.070 4.320 -0.003 0.000 0.219 123 A C 2.549 180.169 177.584 0.061 0.000 1.176 123 A CA 1.940 54.008 52.037 0.052 0.000 0.631 123 A CB -0.724 18.298 19.000 0.036 0.000 0.814 123 A HN 0.391 nan 8.150 nan 0.000 0.446 124 R N -0.756 119.776 120.500 0.053 0.000 2.090 124 R HA -0.048 4.290 4.340 -0.003 0.000 0.228 124 R C 2.253 178.592 176.300 0.066 0.000 1.110 124 R CA 1.382 57.509 56.100 0.045 0.000 0.973 124 R CB -0.608 29.709 30.300 0.028 0.000 0.869 124 R HN 0.438 nan 8.270 nan 0.000 0.440 125 G N 0.881 109.741 108.800 0.101 0.000 2.402 125 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.216 125 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.216 125 G C 1.163 176.237 174.900 0.290 0.000 1.162 125 G CA 0.630 45.831 45.100 0.170 0.000 0.777 125 G HN 0.287 nan 8.290 nan 0.000 0.539 126 K N 0.032 120.573 120.400 0.235 0.000 2.032 126 K HA -0.175 4.143 4.320 -0.003 0.000 0.209 126 K C 2.572 179.307 176.600 0.224 0.000 1.048 126 K CA 1.580 58.012 56.287 0.241 0.000 0.927 126 K CB -0.225 32.359 32.500 0.140 0.000 0.712 126 K HN 0.464 nan 8.250 nan 0.000 0.441 127 Q N 1.147 121.031 119.800 0.139 0.000 2.124 127 Q HA -0.168 4.170 4.340 -0.003 0.000 0.202 127 Q C 1.971 178.019 176.000 0.081 0.000 0.977 127 Q CA 1.409 57.271 55.803 0.098 0.000 0.850 127 Q CB 0.090 28.859 28.738 0.052 0.000 0.901 127 Q HN 0.212 nan 8.270 nan 0.000 0.429 128 R N -0.870 119.660 120.500 0.050 0.000 2.115 128 R HA -0.119 4.219 4.340 -0.003 0.000 0.230 128 R C 1.791 178.054 176.300 -0.060 0.000 1.111 128 R CA 1.621 57.690 56.100 -0.051 0.000 0.976 128 R CB -0.215 30.004 30.300 -0.135 0.000 0.870 128 R HN 0.408 nan 8.270 nan 0.000 0.445 129 W N -0.112 121.228 121.300 0.066 0.000 2.379 129 W HA -0.156 4.502 4.660 -0.003 0.000 0.307 129 W C 2.122 178.707 176.519 0.110 0.000 1.200 129 W CA 0.666 58.066 57.345 0.092 0.000 1.297 129 W CB -0.475 29.049 29.460 0.107 0.000 1.140 129 W HN -0.173 nan 8.180 nan 0.000 0.507 130 V N 0.908 121.032 119.914 0.349 0.000 2.287 130 V HA -0.354 3.764 4.120 -0.003 0.000 0.248 130 V C 2.079 178.363 176.094 0.318 0.000 1.053 130 V CA 2.110 64.590 62.300 0.300 0.000 1.027 130 V CB -0.855 31.115 31.823 0.245 0.000 0.646 130 V HN 0.193 nan 8.190 nan 0.000 0.447 131 K N 0.003 120.492 120.400 0.148 0.000 2.097 131 K HA -0.081 4.237 4.320 -0.003 0.000 0.205 131 K C 2.273 178.901 176.600 0.046 0.000 1.050 131 K CA 1.356 57.631 56.287 -0.020 0.000 0.938 131 K CB -0.359 32.060 32.500 -0.134 0.000 0.718 131 K HN 0.494 nan 8.250 nan 0.000 0.442 132 A N 0.926 123.782 122.820 0.060 0.000 1.873 132 A HA -0.092 4.226 4.320 -0.003 0.000 0.215 132 A C 2.016 179.672 177.584 0.120 0.000 1.186 132 A CA 1.911 53.970 52.037 0.035 0.000 0.616 132 A CB -0.086 18.870 19.000 -0.073 0.000 0.823 132 A HN 0.206 nan 8.150 nan 0.000 0.442 133 V N -6.346 113.697 119.914 0.215 0.000 3.392 133 V HA 0.610 4.728 4.120 -0.003 0.000 0.294 133 V C 1.082 177.303 176.094 0.211 0.000 1.561 133 V CA 0.638 63.063 62.300 0.208 0.000 1.056 133 V CB -0.376 31.607 31.823 0.266 0.000 0.882 133 V HN 1.619 nan 8.190 nan 0.000 0.440 134 G N 0.705 109.653 108.800 0.248 0.000 2.254 134 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.225 134 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.225 134 G C 0.158 175.139 174.900 0.135 0.000 1.003 134 G CA 0.240 45.430 45.100 0.150 0.000 0.622 134 G HN 1.036 nan 8.290 nan 0.000 0.507 135 S N -0.669 115.147 115.700 0.194 0.000 2.546 135 S HA 0.705 5.173 4.470 -0.003 0.000 0.274 135 S C -0.387 174.371 174.600 0.263 0.000 1.121 135 S CA 0.218 58.527 58.200 0.180 0.000 0.887 135 S CB 2.001 65.275 63.200 0.123 0.000 1.094 135 S HN 0.980 nan 8.310 nan 0.000 0.474 136 S N 2.414 118.249 115.700 0.224 0.000 2.489 136 S HA 0.461 4.929 4.470 -0.003 0.000 0.277 136 S C -2.613 172.016 174.600 0.050 0.000 1.230 136 S CA -1.531 56.756 58.200 0.145 0.000 1.053 136 S CB -0.053 63.218 63.200 0.119 0.000 0.955 136 S HN 0.310 nan 8.310 nan 0.000 0.488 137 P HA 0.046 nan 4.420 nan 0.000 0.261 137 P C -0.746 176.375 177.300 -0.299 0.000 1.173 137 P CA 0.005 62.936 63.100 -0.282 0.000 0.760 137 P CB 0.302 31.655 31.700 -0.579 0.000 0.783 138 V N -0.532 119.052 119.914 -0.549 0.000 3.160 138 V HA 0.747 4.865 4.120 -0.003 0.000 0.310 138 V C 1.187 176.998 176.094 -0.472 0.000 1.181 138 V CA -0.410 61.588 62.300 -0.504 0.000 1.047 138 V CB 1.182 32.670 31.823 -0.558 0.000 1.068 138 V HN 0.393 nan 8.190 nan 0.000 0.441 139 A N 0.420 123.062 122.820 -0.297 0.000 2.032 139 A HA -0.097 4.221 4.320 -0.003 0.000 0.221 139 A C 2.112 179.570 177.584 -0.209 0.000 1.165 139 A CA 2.457 54.372 52.037 -0.203 0.000 0.645 139 A CB -1.015 17.895 19.000 -0.151 0.000 0.807 139 A HN 1.055 nan 8.150 nan 0.000 0.453 140 S N -1.081 114.430 115.700 -0.315 0.000 2.382 140 S HA -0.053 4.415 4.470 -0.003 0.000 0.228 140 S C 0.398 174.942 174.600 -0.093 0.000 1.027 140 S CA 0.567 58.650 58.200 -0.196 0.000 0.991 140 S CB -0.407 62.642 63.200 -0.252 0.000 0.823 140 S HN 0.582 nan 8.310 nan 0.000 0.469 141 Y N 2.358 122.533 120.300 -0.209 0.000 2.411 141 Y HA 0.133 4.681 4.550 -0.003 0.000 0.333 141 Y C 2.076 177.966 175.900 -0.016 0.000 1.186 141 Y CA -1.038 56.968 58.100 -0.157 0.000 1.381 141 Y CB -0.656 37.723 38.460 -0.135 0.000 1.273 141 Y HN 0.010 nan 8.280 nan 0.000 0.546 142 T N 2.141 116.821 114.554 0.211 0.000 2.684 142 T HA -0.238 4.110 4.350 -0.003 0.000 0.267 142 T C 2.042 176.887 174.700 0.241 0.000 1.036 142 T CA 1.478 63.691 62.100 0.187 0.000 1.148 142 T CB -0.296 68.642 68.868 0.118 0.000 0.863 142 T HN 0.547 nan 8.240 nan 0.000 0.436 143 L N 1.834 123.214 121.223 0.262 0.000 2.081 143 L HA -0.144 4.194 4.340 -0.003 0.000 0.212 143 L C 2.738 179.728 176.870 0.200 0.000 1.080 143 L CA 2.342 57.381 54.840 0.332 0.000 0.754 143 L CB -1.266 41.002 42.059 0.348 0.000 0.893 143 L HN 0.518 nan 8.230 nan 0.000 0.433 144 T N -3.930 110.705 114.554 0.136 0.000 2.867 144 T HA -0.144 4.204 4.350 -0.003 0.000 0.268 144 T C 1.925 176.711 174.700 0.143 0.000 1.057 144 T CA 0.921 63.078 62.100 0.096 0.000 1.136 144 T CB -0.287 68.592 68.868 0.017 0.000 0.874 144 T HN 0.214 nan 8.240 nan 0.000 0.466 145 K N 1.162 121.644 120.400 0.136 0.000 2.057 145 K HA 0.101 4.419 4.320 -0.003 0.000 0.206 145 K C 2.454 179.182 176.600 0.213 0.000 1.050 145 K CA 0.935 57.306 56.287 0.141 0.000 0.935 145 K CB -1.214 31.340 32.500 0.090 0.000 0.715 145 K HN 0.380 nan 8.250 nan 0.000 0.439 146 V N 1.961 121.982 119.914 0.179 0.000 2.343 146 V HA -0.232 3.886 4.120 -0.003 0.000 0.247 146 V C 2.528 178.705 176.094 0.138 0.000 1.051 146 V CA 1.907 64.291 62.300 0.140 0.000 1.036 146 V CB -0.979 30.902 31.823 0.096 0.000 0.654 146 V HN 0.277 nan 8.190 nan 0.000 0.451 147 A N -0.682 122.227 122.820 0.148 0.000 1.892 147 A HA -0.329 3.989 4.320 -0.003 0.000 0.218 147 A C 1.994 179.659 177.584 0.135 0.000 1.188 147 A CA 2.353 54.465 52.037 0.124 0.000 0.631 147 A CB -1.071 18.006 19.000 0.128 0.000 0.822 147 A HN 0.768 nan 8.150 nan 0.000 0.447 148 W N 0.426 121.734 121.300 0.015 0.000 2.358 148 W HA -0.153 4.505 4.660 -0.003 0.000 0.303 148 W C 1.922 178.443 176.519 0.003 0.000 1.208 148 W CA 2.139 59.487 57.345 0.005 0.000 1.274 148 W CB -0.163 29.297 29.460 -0.001 0.000 1.138 148 W HN 0.110 nan 8.180 nan 0.000 0.515 149 V N 1.275 121.392 119.914 0.337 0.000 2.427 149 V HA -0.276 3.842 4.120 -0.003 0.000 0.248 149 V C 2.477 178.531 176.094 -0.066 0.000 1.051 149 V CA 1.990 64.385 62.300 0.159 0.000 1.048 149 V CB -1.646 30.318 31.823 0.234 0.000 0.666 149 V HN 0.342 nan 8.190 nan 0.000 0.456 150 A N 0.030 122.832 122.820 -0.030 0.000 1.933 150 A HA -0.234 4.084 4.320 -0.003 0.000 0.218 150 A C 2.205 179.715 177.584 -0.123 0.000 1.175 150 A CA 2.029 54.035 52.037 -0.053 0.000 0.628 150 A CB -0.397 18.593 19.000 -0.016 0.000 0.814 150 A HN 0.553 nan 8.150 nan 0.000 0.444 151 E N 0.340 120.424 120.200 -0.194 0.000 2.112 151 E HA -0.064 4.284 4.350 -0.003 0.000 0.190 151 E C 1.648 178.035 176.600 -0.355 0.000 0.979 151 E CA 1.544 57.798 56.400 -0.242 0.000 0.814 151 E CB -0.145 29.413 29.700 -0.237 0.000 0.762 151 E HN 0.621 nan 8.360 nan 0.000 0.460 152 N N -0.097 118.239 118.700 -0.606 0.000 2.368 152 N HA 0.035 4.773 4.740 -0.003 0.000 0.178 152 N C -0.358 174.904 175.510 -0.414 0.000 1.076 152 N CA 0.364 53.014 53.050 -0.668 0.000 0.889 152 N CB 0.583 38.248 38.487 -1.370 0.000 1.040 152 N HN 0.175 nan 8.380 nan 0.000 0.463 153 E N 0.450 120.460 120.200 -0.317 0.000 3.935 153 E HA 0.189 4.537 4.350 -0.003 0.000 0.226 153 E C -2.122 174.432 176.600 -0.076 0.000 1.220 153 E CA -1.378 54.940 56.400 -0.136 0.000 1.226 153 E CB 1.489 31.162 29.700 -0.045 0.000 1.237 153 E HN 0.030 nan 8.360 nan 0.000 0.417 154 P HA -0.205 nan 4.420 nan 0.000 0.216 154 P C 0.945 178.236 177.300 -0.016 0.000 1.150 154 P CA 1.258 64.332 63.100 -0.043 0.000 0.843 154 P CB 0.385 32.057 31.700 -0.046 0.000 0.787 155 E N -0.708 119.482 120.200 -0.018 0.000 2.110 155 E HA -0.164 4.184 4.350 -0.003 0.000 0.193 155 E C 1.762 178.366 176.600 0.006 0.000 0.988 155 E CA 1.262 57.658 56.400 -0.007 0.000 0.804 155 E CB -1.090 28.604 29.700 -0.009 0.000 0.745 155 E HN 0.436 nan 8.360 nan 0.000 0.458 156 N N -0.457 118.250 118.700 0.011 0.000 2.171 156 N HA -0.089 4.649 4.740 -0.003 0.000 0.184 156 N C 1.746 177.281 175.510 0.042 0.000 1.021 156 N CA 0.660 53.726 53.050 0.026 0.000 0.854 156 N CB 0.066 38.575 38.487 0.038 0.000 0.994 156 N HN -0.044 nan 8.380 nan 0.000 0.426 157 V N 1.820 121.758 119.914 0.040 0.000 2.515 157 V HA -0.172 3.946 4.120 -0.003 0.000 0.250 157 V C 1.705 177.883 176.094 0.140 0.000 1.058 157 V CA 1.672 64.007 62.300 0.058 0.000 1.064 157 V CB -0.230 31.611 31.823 0.031 0.000 0.675 157 V HN 0.232 nan 8.190 nan 0.000 0.461 158 K N -0.506 119.961 120.400 0.113 0.000 2.365 158 K HA -0.072 4.246 4.320 -0.003 0.000 0.199 158 K C 1.866 178.503 176.600 0.060 0.000 1.045 158 K CA 0.792 57.142 56.287 0.105 0.000 0.962 158 K CB -0.046 32.459 32.500 0.009 0.000 0.759 158 K HN 0.438 nan 8.250 nan 0.000 0.469 159 K N 0.649 121.089 120.400 0.068 0.000 2.400 159 K HA 0.119 4.437 4.320 -0.003 0.000 0.194 159 K C 0.362 177.005 176.600 0.073 0.000 1.033 159 K CA 0.079 56.389 56.287 0.037 0.000 1.021 159 K CB 0.205 32.718 32.500 0.021 0.000 0.808 159 K HN 0.092 nan 8.250 nan 0.000 0.505 160 I N 1.781 122.438 120.570 0.144 0.000 2.752 160 I HA -0.156 4.012 4.170 -0.003 0.000 0.286 160 I C 1.146 177.351 176.117 0.147 0.000 1.180 160 I CA 0.032 61.392 61.300 0.100 0.000 1.404 160 I CB 0.828 38.835 38.000 0.012 0.000 1.389 160 I HN 0.173 nan 8.210 nan 0.000 0.549 161 A N 5.691 128.535 122.820 0.041 0.000 2.167 161 A HA 0.658 4.976 4.320 -0.003 0.000 0.208 161 A C 0.794 178.347 177.584 -0.051 0.000 1.198 161 A CA 0.592 52.637 52.037 0.014 0.000 0.863 161 A CB 0.376 19.371 19.000 -0.008 0.000 0.904 161 A HN 0.759 nan 8.150 nan 0.000 0.484 162 A N -0.422 122.345 122.820 -0.088 0.000 2.574 162 A HA 0.698 5.016 4.320 -0.003 0.000 0.297 162 A C -1.274 176.224 177.584 -0.144 0.000 1.062 162 A CA -0.387 51.561 52.037 -0.148 0.000 0.686 162 A CB 0.811 19.685 19.000 -0.210 0.000 1.285 162 A HN 0.238 nan 8.150 nan 0.000 0.403 163 I N 1.249 121.722 120.570 -0.161 0.000 2.465 163 I HA 0.622 4.790 4.170 -0.003 0.000 0.291 163 I C -0.049 176.019 176.117 -0.081 0.000 1.014 163 I CA -0.602 60.635 61.300 -0.105 0.000 1.093 163 I CB 1.796 39.730 38.000 -0.109 0.000 1.267 163 I HN 0.962 nan 8.210 nan 0.000 0.431 164 C N 4.201 123.476 119.300 -0.041 0.000 3.291 164 C HA 0.765 5.223 4.460 -0.003 0.000 0.316 164 C C -0.976 174.020 174.990 0.011 0.000 1.391 164 C CA -0.851 58.143 59.018 -0.039 0.000 1.394 164 C CB 1.098 28.768 27.740 -0.115 0.000 1.744 164 C HN 0.605 nan 8.230 nan 0.000 0.461 165 L N 1.225 122.433 121.223 -0.025 0.000 2.400 165 L HA 0.594 4.932 4.340 -0.003 0.000 0.264 165 L C -1.395 175.487 176.870 0.020 0.000 1.061 165 L CA -2.026 52.812 54.840 -0.004 0.000 0.799 165 L CB 0.455 42.486 42.059 -0.047 0.000 1.240 165 L HN 0.481 nan 8.230 nan 0.000 0.461 166 P HA -0.202 nan 4.420 nan 0.000 0.215 166 P C 1.402 178.724 177.300 0.037 0.000 1.157 166 P CA 1.649 64.720 63.100 -0.049 0.000 0.874 166 P CB 0.007 31.437 31.700 -0.450 0.000 0.790 167 H N -0.590 118.446 119.070 -0.056 0.000 2.421 167 H HA -0.111 4.442 4.556 -0.004 0.000 0.298 167 H C 1.308 176.616 175.328 -0.034 0.000 1.087 167 H CA 1.863 57.889 56.048 -0.038 0.000 1.330 167 H CB -1.067 28.659 29.762 -0.060 0.000 1.388 167 H HN 0.048 nan 8.280 nan 0.000 0.526 168 D N -0.018 120.004 120.400 -0.630 0.000 2.097 168 D HA -0.169 4.469 4.640 -0.003 0.000 0.197 168 D C 1.870 178.039 176.300 -0.219 0.000 0.984 168 D CA 1.256 54.889 54.000 -0.612 0.000 0.826 168 D CB -0.910 39.618 40.800 -0.454 0.000 0.973 168 D HN 0.569 nan 8.370 nan 0.000 0.460 169 W N 1.283 122.492 121.300 -0.151 0.000 2.379 169 W HA -0.108 4.550 4.660 -0.003 0.000 0.307 169 W C 2.081 178.696 176.519 0.161 0.000 1.200 169 W CA 0.724 58.098 57.345 0.047 0.000 1.297 169 W CB -0.439 29.106 29.460 0.141 0.000 1.140 169 W HN -0.065 nan 8.180 nan 0.000 0.507 170 L N 0.705 122.082 121.223 0.256 0.000 2.046 170 L HA -0.203 4.135 4.340 -0.003 0.000 0.208 170 L C 2.448 179.254 176.870 -0.106 0.000 1.077 170 L CA 2.556 57.432 54.840 0.060 0.000 0.747 170 L CB -1.195 40.961 42.059 0.163 0.000 0.896 170 L HN -0.102 nan 8.230 nan 0.000 0.432 171 S N -1.517 114.134 115.700 -0.082 0.000 2.368 171 S HA -0.241 4.227 4.470 -0.003 0.000 0.225 171 S C 1.528 176.101 174.600 -0.045 0.000 1.030 171 S CA 1.414 59.571 58.200 -0.072 0.000 0.999 171 S CB -0.729 62.371 63.200 -0.167 0.000 0.844 171 S HN 0.700 nan 8.310 nan 0.000 0.459 172 W N 3.048 124.153 121.300 -0.325 0.000 2.338 172 W HA -0.096 4.563 4.660 -0.002 0.000 0.304 172 W C 2.134 178.507 176.519 -0.243 0.000 1.212 172 W CA 1.109 58.324 57.345 -0.217 0.000 1.264 172 W CB -0.164 29.125 29.460 -0.285 0.000 1.142 172 W HN 0.055 nan 8.180 nan 0.000 0.512 173 R N 0.173 120.386 120.500 -0.479 0.000 2.092 173 R HA -0.108 4.230 4.340 -0.003 0.000 0.231 173 R C 2.169 178.143 176.300 -0.543 0.000 1.119 173 R CA 1.712 57.317 56.100 -0.825 0.000 0.970 173 R CB -1.431 28.163 30.300 -1.176 0.000 0.864 173 R HN 0.366 nan 8.270 nan 0.000 0.440 174 I N 0.813 121.255 120.570 -0.213 0.000 2.286 174 I HA -0.224 3.944 4.170 -0.003 0.000 0.248 174 I C 2.156 178.226 176.117 -0.079 0.000 1.115 174 I CA 1.297 62.583 61.300 -0.025 0.000 1.392 174 I CB -0.357 37.609 38.000 -0.057 0.000 1.065 174 I HN 0.069 nan 8.210 nan 0.000 0.418 175 A N 0.234 122.980 122.820 -0.124 0.000 2.216 175 A HA 0.091 4.409 4.320 -0.003 0.000 0.214 175 A C 1.900 179.179 177.584 -0.508 0.000 1.160 175 A CA 1.133 53.064 52.037 -0.177 0.000 0.725 175 A CB -0.788 18.242 19.000 0.050 0.000 0.784 175 A HN 0.637 nan 8.150 nan 0.000 0.472 176 G N -3.243 105.232 108.800 -0.542 0.000 2.159 176 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.227 176 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.227 176 G C 0.006 174.407 174.900 -0.832 0.000 0.986 176 G CA 0.227 44.957 45.100 -0.617 0.000 0.651 176 G HN 0.409 nan 8.290 nan 0.000 0.523 177 Y N 0.314 120.132 120.300 -0.803 0.000 2.340 177 Y HA 0.625 5.174 4.550 -0.002 0.000 0.327 177 Y C 1.201 176.338 175.900 -1.272 0.000 1.321 177 Y CA 0.569 58.000 58.100 -1.115 0.000 1.433 177 Y CB 1.352 38.740 38.460 -1.786 0.000 1.373 177 Y HN 0.834 nan 8.280 nan 0.000 0.538 178 G N -0.461 107.796 108.800 -0.906 0.000 2.341 178 G HA2 0.249 4.207 3.960 -0.003 0.000 0.293 178 G HA3 0.249 4.207 3.960 -0.003 0.000 0.293 178 G C -3.274 171.600 174.900 -0.042 0.000 1.298 178 G CA -1.363 43.455 45.100 -0.469 0.000 0.868 178 G HN 0.303 nan 8.290 nan 0.000 0.540 179 P HA 0.364 nan 4.420 nan 0.000 0.264 179 P C 0.308 177.641 177.300 0.054 0.000 1.183 179 P CA 0.067 63.228 63.100 0.102 0.000 0.763 179 P CB 0.989 32.736 31.700 0.079 0.000 0.807 180 V N 0.043 120.000 119.914 0.072 0.000 3.158 180 V HA 0.906 5.024 4.120 -0.003 0.000 0.315 180 V C -0.087 176.029 176.094 0.037 0.000 1.148 180 V CA -1.434 60.895 62.300 0.048 0.000 1.042 180 V CB 1.434 33.294 31.823 0.062 0.000 1.101 180 V HN 0.565 nan 8.190 nan 0.000 0.448 181 A N 0.447 123.282 122.820 0.025 0.000 2.313 181 A HA 0.456 4.774 4.320 -0.003 0.000 0.261 181 A C 0.389 177.982 177.584 0.016 0.000 1.090 181 A CA -0.125 51.923 52.037 0.018 0.000 0.807 181 A CB 0.034 19.041 19.000 0.012 0.000 1.055 181 A HN 1.168 nan 8.150 nan 0.000 0.492 182 E N -0.043 120.164 120.200 0.011 0.000 2.465 182 E HA 0.288 4.636 4.350 -0.003 0.000 0.260 182 E C 1.074 177.676 176.600 0.003 0.000 0.980 182 E CA 0.886 57.290 56.400 0.007 0.000 0.927 182 E CB -0.119 29.583 29.700 0.004 0.000 0.934 182 E HN 1.627 nan 8.360 nan 0.000 0.459 183 G N 3.395 112.194 108.800 -0.000 0.000 2.162 183 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.260 183 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.260 183 G C -0.082 174.815 174.900 -0.006 0.000 0.976 183 G CA 0.454 45.550 45.100 -0.005 0.000 0.655 183 G HN 0.614 nan 8.290 nan 0.000 0.533 184 E N 0.127 120.326 120.200 -0.001 0.000 2.250 184 E HA 0.399 4.747 4.350 -0.003 0.000 0.269 184 E C -0.822 175.765 176.600 -0.023 0.000 1.018 184 E CA -0.866 55.533 56.400 -0.001 0.000 0.873 184 E CB 0.995 30.705 29.700 0.017 0.000 1.134 184 E HN 0.117 nan 8.360 nan 0.000 0.403 185 D N 0.536 120.902 120.400 -0.057 0.000 2.325 185 D HA 0.137 4.775 4.640 -0.003 0.000 0.251 185 D C 0.161 176.389 176.300 -0.120 0.000 1.196 185 D CA -0.036 53.861 54.000 -0.171 0.000 0.866 185 D CB 1.306 41.889 40.800 -0.362 0.000 1.101 185 D HN 0.477 nan 8.370 nan 0.000 0.476 186 A N 3.594 126.386 122.820 -0.046 0.000 2.167 186 A HA -0.029 4.289 4.320 -0.003 0.000 0.214 186 A C 0.680 178.403 177.584 0.232 0.000 1.151 186 A CA 0.560 52.673 52.037 0.127 0.000 0.735 186 A CB -0.725 18.364 19.000 0.149 0.000 0.802 186 A HN 0.898 nan 8.150 nan 0.000 0.467 187 H N -1.807 117.308 119.070 0.074 0.000 2.713 187 H HA -0.153 4.401 4.556 -0.003 0.000 0.311 187 H C 0.842 176.191 175.328 0.035 0.000 1.175 187 H CA 0.627 56.657 56.048 -0.029 0.000 1.143 187 H CB -2.068 27.537 29.762 -0.262 0.000 1.434 187 H HN 0.473 nan 8.280 nan 0.000 0.418 188 L N -0.211 121.065 121.223 0.089 0.000 2.131 188 L HA -0.159 4.179 4.340 -0.003 0.000 0.210 188 L C 2.265 179.065 176.870 -0.117 0.000 1.092 188 L CA 1.260 56.050 54.840 -0.083 0.000 0.759 188 L CB -0.226 41.754 42.059 -0.132 0.000 0.903 188 L HN 0.426 nan 8.230 nan 0.000 0.435 189 E N 0.298 120.477 120.200 -0.036 0.000 2.409 189 E HA -0.132 4.216 4.350 -0.003 0.000 0.198 189 E C 2.091 178.700 176.600 0.016 0.000 1.024 189 E CA 0.931 57.321 56.400 -0.016 0.000 0.861 189 E CB 0.031 29.737 29.700 0.010 0.000 0.788 189 E HN 0.469 nan 8.360 nan 0.000 0.521 190 A N 0.733 123.563 122.820 0.017 0.000 2.168 190 A HA -0.007 4.311 4.320 -0.003 0.000 0.215 190 A C 1.273 178.970 177.584 0.188 0.000 1.152 190 A CA 0.037 52.112 52.037 0.064 0.000 0.716 190 A CB -0.306 18.544 19.000 -0.249 0.000 0.794 190 A HN 0.133 nan 8.150 nan 0.000 0.465 191 L N 0.862 122.074 121.223 -0.019 0.000 2.525 191 L HA 0.252 4.590 4.340 -0.003 0.000 0.278 191 L C -0.056 176.826 176.870 0.021 0.000 1.218 191 L CA 0.061 54.804 54.840 -0.161 0.000 0.878 191 L CB 0.120 41.949 42.059 -0.383 0.000 1.127 191 L HN 0.550 nan 8.230 nan 0.000 0.492 192 F N 0.966 120.905 119.950 -0.017 0.000 2.613 192 F HA 0.849 5.374 4.527 -0.004 0.000 0.314 192 F C -0.334 175.438 175.800 -0.046 0.000 1.075 192 F CA -0.718 57.276 58.000 -0.009 0.000 0.945 192 F CB 1.883 40.897 39.000 0.023 0.000 1.310 192 F HN 0.311 nan 8.300 nan 0.000 0.467 193 T N -0.245 114.437 114.554 0.214 0.000 2.647 193 T HA 0.442 4.790 4.350 -0.003 0.000 0.295 193 T C -2.024 172.804 174.700 0.213 0.000 1.126 193 T CA -0.300 61.871 62.100 0.118 0.000 1.040 193 T CB 1.506 70.347 68.868 -0.046 0.000 1.472 193 T HN 1.053 nan 8.240 nan 0.000 0.500 194 D N -0.248 120.260 120.400 0.179 0.000 2.553 194 D HA 0.420 5.058 4.640 -0.003 0.000 0.249 194 D C 0.825 177.073 176.300 -0.088 0.000 1.062 194 D CA -0.704 53.320 54.000 0.040 0.000 1.085 194 D CB 1.127 41.945 40.800 0.030 0.000 1.350 194 D HN 0.540 nan 8.370 nan 0.000 0.575 195 R N -0.368 120.072 120.500 -0.099 0.000 2.120 195 R HA -0.090 4.248 4.340 -0.003 0.000 0.234 195 R C 2.261 178.510 176.300 -0.085 0.000 1.123 195 R CA 1.891 57.932 56.100 -0.097 0.000 0.975 195 R CB -0.263 30.007 30.300 -0.050 0.000 0.866 195 R HN 0.626 nan 8.270 nan 0.000 0.446 196 S N 0.568 116.215 115.700 -0.088 0.000 2.357 196 S HA -0.124 4.344 4.470 -0.003 0.000 0.221 196 S C 1.630 176.121 174.600 -0.181 0.000 1.031 196 S CA 1.181 59.320 58.200 -0.101 0.000 0.982 196 S CB -0.128 63.019 63.200 -0.089 0.000 0.853 196 S HN 0.130 nan 8.310 nan 0.000 0.458 197 D N 2.057 122.369 120.400 -0.146 0.000 2.123 197 D HA 0.167 4.805 4.640 -0.003 0.000 0.200 197 D C 2.247 178.422 176.300 -0.210 0.000 0.976 197 D CA 1.284 55.184 54.000 -0.168 0.000 0.831 197 D CB -0.543 40.283 40.800 0.043 0.000 0.974 197 D HN 0.490 nan 8.370 nan 0.000 0.469 198 A N 0.633 123.324 122.820 -0.215 0.000 1.940 198 A HA -0.177 4.141 4.320 -0.003 0.000 0.219 198 A C 2.221 179.720 177.584 -0.141 0.000 1.176 198 A CA 2.231 54.089 52.037 -0.300 0.000 0.631 198 A CB -0.698 17.823 19.000 -0.799 0.000 0.814 198 A HN 0.324 nan 8.150 nan 0.000 0.446 199 S N -0.818 114.850 115.700 -0.053 0.000 2.537 199 S HA 0.102 4.570 4.470 -0.003 0.000 0.240 199 S C 1.502 176.010 174.600 -0.152 0.000 0.981 199 S CA 1.021 59.274 58.200 0.087 0.000 0.948 199 S CB -0.538 62.752 63.200 0.149 0.000 0.759 199 S HN 0.686 nan 8.310 nan 0.000 0.531 200 G N 1.126 109.690 108.800 -0.393 0.000 3.189 200 G HA2 0.174 4.132 3.960 -0.003 0.000 0.225 200 G HA3 0.174 4.132 3.960 -0.003 0.000 0.225 200 G C 1.183 175.968 174.900 -0.192 0.000 1.159 200 G CA 0.475 45.278 45.100 -0.495 0.000 0.763 200 G HN 0.660 nan 8.290 nan 0.000 0.549 201 T N -0.595 113.795 114.554 -0.273 0.000 3.054 201 T HA 0.026 4.374 4.350 -0.003 0.000 0.259 201 T C 1.947 176.429 174.700 -0.364 0.000 1.092 201 T CA 0.636 62.456 62.100 -0.466 0.000 1.121 201 T CB -0.392 67.793 68.868 -1.138 0.000 0.912 201 T HN 1.181 nan 8.240 nan 0.000 0.489 202 I N -0.315 120.144 120.570 -0.185 0.000 6.151 202 I HA -0.332 3.836 4.170 -0.003 0.000 0.126 202 I C 0.077 176.361 176.117 0.278 0.000 1.812 202 I CA 1.246 62.586 61.300 0.066 0.000 2.108 202 I CB -2.591 35.450 38.000 0.068 0.000 3.427 202 I HN 0.572 nan 8.210 nan 0.000 0.191 203 Y N -0.768 119.715 120.300 0.305 0.000 2.719 203 Y HA 0.644 5.192 4.550 -0.003 0.000 0.251 203 Y C -0.147 176.013 175.900 0.435 0.000 1.159 203 Y CA -1.442 56.856 58.100 0.330 0.000 1.166 203 Y CB -0.676 37.940 38.460 0.259 0.000 1.219 203 Y HN 0.349 nan 8.280 nan 0.000 0.551 204 Y N 1.312 121.763 120.300 0.252 0.000 2.457 204 Y HA 0.589 5.138 4.550 -0.003 0.000 0.343 204 Y C -1.774 174.175 175.900 0.083 0.000 0.994 204 Y CA -1.928 56.265 58.100 0.155 0.000 1.031 204 Y CB 1.891 40.366 38.460 0.025 0.000 1.246 204 Y HN 0.163 nan 8.280 nan 0.000 0.449 205 D N 4.293 124.290 120.400 -0.671 0.000 2.441 205 D HA 0.515 5.153 4.640 -0.003 0.000 0.231 205 D C 0.403 176.243 176.300 -0.767 0.000 1.073 205 D CA 0.232 53.944 54.000 -0.480 0.000 0.850 205 D CB 1.655 42.340 40.800 -0.192 0.000 1.062 205 D HN 0.738 nan 8.370 nan 0.000 0.524 206 A N 3.785 126.368 122.820 -0.396 0.000 1.902 206 A HA -0.008 4.310 4.320 -0.003 0.000 0.217 206 A C 2.182 179.787 177.584 0.036 0.000 1.181 206 A CA 1.689 53.676 52.037 -0.084 0.000 0.623 206 A CB -0.785 18.352 19.000 0.228 0.000 0.818 206 A HN 0.661 nan 8.150 nan 0.000 0.443 207 A N 0.226 123.111 122.820 0.108 0.000 1.917 207 A HA -0.142 4.176 4.320 -0.003 0.000 0.219 207 A C 2.364 179.973 177.584 0.042 0.000 1.182 207 A CA 2.544 54.660 52.037 0.131 0.000 0.633 207 A CB -0.785 18.279 19.000 0.106 0.000 0.819 207 A HN 1.095 nan 8.150 nan 0.000 0.448 208 S N -1.999 113.675 115.700 -0.044 0.000 2.540 208 S HA 0.140 4.608 4.470 -0.003 0.000 0.218 208 S C 0.624 175.171 174.600 -0.089 0.000 0.977 208 S CA 0.538 58.706 58.200 -0.054 0.000 0.918 208 S CB -0.291 62.877 63.200 -0.054 0.000 0.806 208 S HN 0.637 nan 8.310 nan 0.000 0.496 209 N N 2.316 120.918 118.700 -0.164 0.000 2.725 209 N HA -0.161 4.577 4.740 -0.003 0.000 0.251 209 N C -1.385 174.040 175.510 -0.142 0.000 1.031 209 N CA 0.796 53.767 53.050 -0.131 0.000 0.720 209 N CB -1.249 37.252 38.487 0.025 0.000 0.930 209 N HN 0.647 nan 8.380 nan 0.000 0.543 210 E N 0.929 120.931 120.200 -0.329 0.000 2.224 210 E HA 0.167 4.515 4.350 -0.003 0.000 0.265 210 E C -0.540 175.994 176.600 -0.110 0.000 0.878 210 E CA -0.635 55.684 56.400 -0.134 0.000 0.759 210 E CB 0.663 30.326 29.700 -0.062 0.000 1.164 210 E HN 0.197 nan 8.360 nan 0.000 0.414 211 Y N 1.323 121.750 120.300 0.212 0.000 2.425 211 Y HA 0.066 4.614 4.550 -0.004 0.000 0.331 211 Y C 1.148 177.141 175.900 0.155 0.000 1.157 211 Y CA 0.065 58.329 58.100 0.272 0.000 1.372 211 Y CB 0.597 39.213 38.460 0.260 0.000 1.253 211 Y HN 0.064 nan 8.280 nan 0.000 0.536 212 R N 4.333 125.054 120.500 0.367 0.000 2.825 212 R HA 0.197 4.535 4.340 -0.003 0.000 0.261 212 R C 0.796 177.207 176.300 0.185 0.000 1.341 212 R CA -0.158 56.074 56.100 0.220 0.000 1.353 212 R CB 0.184 30.603 30.300 0.198 0.000 1.191 212 R HN 0.806 nan 8.270 nan 0.000 0.590 213 R N 0.658 121.230 120.500 0.121 0.000 2.189 213 R HA -0.114 4.224 4.340 -0.003 0.000 0.223 213 R C 1.277 177.592 176.300 0.024 0.000 1.092 213 R CA 1.453 57.573 56.100 0.033 0.000 0.989 213 R CB 0.177 30.484 30.300 0.012 0.000 0.876 213 R HN 0.520 nan 8.270 nan 0.000 0.457 214 D N 0.832 121.258 120.400 0.044 0.000 2.178 214 D HA -0.183 4.455 4.640 -0.003 0.000 0.202 214 D C 1.711 178.041 176.300 0.049 0.000 0.974 214 D CA 0.997 55.016 54.000 0.032 0.000 0.841 214 D CB -0.266 40.544 40.800 0.017 0.000 0.953 214 D HN 0.272 nan 8.370 nan 0.000 0.478 215 L N -0.027 121.251 121.223 0.093 0.000 2.217 215 L HA 0.027 4.365 4.340 -0.003 0.000 0.211 215 L C 2.693 179.665 176.870 0.170 0.000 1.107 215 L CA 0.366 55.306 54.840 0.166 0.000 0.783 215 L CB -0.221 42.006 42.059 0.279 0.000 0.919 215 L HN -0.054 nan 8.230 nan 0.000 0.442 216 I N 0.005 120.622 120.570 0.079 0.000 2.193 216 I HA -0.137 4.031 4.170 -0.003 0.000 0.240 216 I C 1.913 178.017 176.117 -0.021 0.000 1.084 216 I CA 0.332 61.617 61.300 -0.024 0.000 1.365 216 I CB -0.389 37.489 38.000 -0.203 0.000 1.064 216 I HN 0.154 nan 8.210 nan 0.000 0.410 220 L N 0.943 122.173 121.223 0.011 0.000 2.313 220 L HA 0.126 4.464 4.340 -0.003 0.000 0.214 220 L C 2.457 179.339 176.870 0.020 0.000 1.119 220 L CA 2.071 56.911 54.840 0.002 0.000 0.809 220 L CB -0.281 41.763 42.059 -0.026 0.000 0.933 220 L HN 0.592 nan 8.230 nan 0.000 0.449 221 E N 0.930 121.143 120.200 0.022 0.000 2.130 221 E HA -0.275 4.073 4.350 -0.003 0.000 0.196 221 E C 2.240 178.848 176.600 0.014 0.000 0.998 221 E CA 1.356 57.768 56.400 0.021 0.000 0.806 221 E CB 0.035 29.750 29.700 0.024 0.000 0.738 221 E HN 0.466 nan 8.360 nan 0.000 0.459 222 A N 0.673 123.498 122.820 0.009 0.000 1.940 222 A HA -0.140 4.178 4.320 -0.003 0.000 0.219 222 A C 2.285 179.862 177.584 -0.012 0.000 1.176 222 A CA 1.963 53.998 52.037 -0.004 0.000 0.631 222 A CB -0.587 18.405 19.000 -0.013 0.000 0.814 222 A HN 0.420 nan 8.150 nan 0.000 0.446 223 A N -1.289 121.528 122.820 -0.006 0.000 2.044 223 A HA 0.162 4.480 4.320 -0.003 0.000 0.213 223 A C 1.700 179.286 177.584 0.004 0.000 1.169 223 A CA 1.073 53.105 52.037 -0.007 0.000 0.724 223 A CB 0.008 19.005 19.000 -0.005 0.000 0.840 223 A HN 0.555 nan 8.150 nan 0.000 0.463 224 E N -1.486 118.724 120.200 0.016 0.000 2.508 224 E HA 0.388 4.736 4.350 -0.003 0.000 0.217 224 E C 0.592 177.200 176.600 0.013 0.000 0.896 224 E CA 0.171 56.583 56.400 0.021 0.000 1.118 224 E CB 0.771 30.501 29.700 0.051 0.000 1.133 224 E HN 0.625 nan 8.360 nan 0.000 0.526 225 G N 1.304 110.111 108.800 0.011 0.000 2.712 225 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.686 225 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.686 225 G C 0.568 175.476 174.900 0.014 0.000 1.321 225 G CA -0.410 44.695 45.100 0.009 0.000 0.813 225 G HN 0.201 nan 8.290 nan 0.000 0.599 226 A N 0.951 123.778 122.820 0.012 0.000 1.845 226 A HA 0.011 4.329 4.320 -0.003 0.000 0.215 226 A C 2.452 180.045 177.584 0.015 0.000 1.195 226 A CA 2.440 54.485 52.037 0.014 0.000 0.616 226 A CB -0.379 18.627 19.000 0.010 0.000 0.832 226 A HN 0.715 nan 8.150 nan 0.000 0.443 227 K N -0.043 120.363 120.400 0.011 0.000 2.097 227 K HA 0.044 4.362 4.320 -0.003 0.000 0.205 227 K C 2.218 178.827 176.600 0.015 0.000 1.050 227 K CA 1.335 57.629 56.287 0.010 0.000 0.938 227 K CB -1.023 31.480 32.500 0.005 0.000 0.718 227 K HN 0.453 nan 8.250 nan 0.000 0.442 228 A N 1.411 124.239 122.820 0.014 0.000 1.933 228 A HA -0.084 4.234 4.320 -0.003 0.000 0.218 228 A C 2.401 180.016 177.584 0.051 0.000 1.175 228 A CA 2.077 54.124 52.037 0.017 0.000 0.628 228 A CB -0.600 18.404 19.000 0.006 0.000 0.814 228 A HN 0.284 nan 8.150 nan 0.000 0.444 229 A N -0.732 122.119 122.820 0.051 0.000 1.902 229 A HA -0.212 4.106 4.320 -0.003 0.000 0.217 229 A C 2.204 179.822 177.584 0.055 0.000 1.181 229 A CA 1.795 53.872 52.037 0.066 0.000 0.623 229 A CB -0.604 18.419 19.000 0.038 0.000 0.818 229 A HN 0.677 nan 8.150 nan 0.000 0.443 230 Q N -0.015 119.807 119.800 0.036 0.000 2.061 230 Q HA -0.173 4.165 4.340 -0.003 0.000 0.204 230 Q C 2.177 178.197 176.000 0.034 0.000 0.984 230 Q CA 2.113 57.932 55.803 0.026 0.000 0.846 230 Q CB -0.186 28.562 28.738 0.017 0.000 0.902 230 Q HN 0.598 nan 8.270 nan 0.000 0.421 231 S N 0.059 115.783 115.700 0.040 0.000 2.356 231 S HA -0.189 4.279 4.470 -0.003 0.000 0.223 231 S C 1.708 176.355 174.600 0.078 0.000 1.032 231 S CA 1.199 59.422 58.200 0.037 0.000 1.005 231 S CB -0.563 62.646 63.200 0.015 0.000 0.867 231 S HN 0.510 nan 8.310 nan 0.000 0.449 232 H N 2.104 121.156 119.070 -0.029 0.000 2.290 232 H HA 0.042 4.596 4.556 -0.003 0.000 0.298 232 H C 2.259 177.555 175.328 -0.053 0.000 1.087 232 H CA 1.704 57.728 56.048 -0.040 0.000 1.291 232 H CB -0.854 28.886 29.762 -0.037 0.000 1.369 232 H HN 0.332 nan 8.280 nan 0.000 0.492 233 A N 0.952 123.788 122.820 0.026 0.000 1.972 233 A HA -0.126 4.192 4.320 -0.003 0.000 0.219 233 A C 2.330 179.883 177.584 -0.051 0.000 1.169 233 A CA 1.580 53.566 52.037 -0.086 0.000 0.635 233 A CB -0.177 18.776 19.000 -0.079 0.000 0.810 233 A HN 0.395 nan 8.150 nan 0.000 0.446 234 E N -0.118 120.081 120.200 -0.002 0.000 2.107 234 E HA -0.048 4.300 4.350 -0.003 0.000 0.191 234 E C 2.223 178.824 176.600 0.001 0.000 0.982 234 E CA 1.212 57.612 56.400 0.000 0.000 0.809 234 E CB -0.520 29.186 29.700 0.011 0.000 0.756 234 E HN 0.574 nan 8.360 nan 0.000 0.459 235 A N 0.874 123.710 122.820 0.028 0.000 2.067 235 A HA 0.028 4.346 4.320 -0.003 0.000 0.217 235 A C 1.402 178.992 177.584 0.011 0.000 1.156 235 A CA -0.025 52.028 52.037 0.027 0.000 0.683 235 A CB -0.285 18.740 19.000 0.042 0.000 0.808 235 A HN 0.111 nan 8.150 nan 0.000 0.455 236 I N 1.129 121.696 120.570 -0.006 0.000 2.618 236 I HA 0.017 4.185 4.170 -0.003 0.000 0.284 236 I C -0.280 175.768 176.117 -0.114 0.000 1.146 236 I CA -0.057 61.202 61.300 -0.069 0.000 1.425 236 I CB 1.183 39.081 38.000 -0.170 0.000 1.383 236 I HN -0.091 nan 8.210 nan 0.000 0.562 237 V N 8.060 127.904 119.914 -0.117 0.000 2.488 237 V HA 0.250 4.368 4.120 -0.003 0.000 0.277 237 V C 0.264 176.241 176.094 -0.195 0.000 1.046 237 V CA -0.243 61.978 62.300 -0.132 0.000 0.986 237 V CB 0.868 32.619 31.823 -0.120 0.000 0.989 237 V HN 0.428 nan 8.190 nan 0.000 0.475 238 L N 6.669 127.760 121.223 -0.221 0.000 2.342 238 L HA 0.553 4.891 4.340 -0.003 0.000 0.271 238 L C -2.438 174.350 176.870 -0.137 0.000 1.008 238 L CA -2.049 52.599 54.840 -0.320 0.000 0.818 238 L CB 2.214 43.802 42.059 -0.785 0.000 1.296 238 L HN 0.408 nan 8.230 nan 0.000 0.427 239 P HA 0.070 nan 4.420 nan 0.000 0.271 239 P C -0.609 176.794 177.300 0.173 0.000 1.216 239 P CA -0.214 62.895 63.100 0.015 0.000 0.771 239 P CB 0.401 32.072 31.700 -0.048 0.000 0.864 240 T N 2.353 116.998 114.554 0.151 0.000 2.829 240 T HA 0.086 4.434 4.350 -0.003 0.000 0.293 240 T C 0.405 175.183 174.700 0.130 0.000 0.970 240 T CA -0.094 62.102 62.100 0.159 0.000 1.168 240 T CB -0.138 68.809 68.868 0.132 0.000 0.911 240 T HN 0.061 nan 8.240 nan 0.000 0.535 241 V N 6.419 126.369 119.914 0.059 0.000 2.405 241 V HA 0.200 4.318 4.120 -0.003 0.000 0.264 241 V C 0.557 176.646 176.094 -0.009 0.000 1.048 241 V CA -0.383 61.892 62.300 -0.041 0.000 0.966 241 V CB -0.106 31.583 31.823 -0.225 0.000 1.015 241 V HN 0.685 nan 8.190 nan 0.000 0.477 242 L N 4.016 125.244 121.223 0.007 0.000 2.399 242 L HA 0.577 4.915 4.340 -0.003 0.000 0.266 242 L C 1.253 178.080 176.870 -0.072 0.000 1.114 242 L CA -0.226 54.593 54.840 -0.035 0.000 0.804 242 L CB 0.725 42.750 42.059 -0.056 0.000 1.146 242 L HN 0.709 nan 8.230 nan 0.000 0.451 243 G N 0.925 109.663 108.800 -0.104 0.000 2.636 243 G HA2 0.163 4.121 3.960 -0.003 0.000 0.246 243 G HA3 0.163 4.121 3.960 -0.003 0.000 0.246 243 G C -1.455 173.321 174.900 -0.205 0.000 1.216 243 G CA -0.791 44.223 45.100 -0.142 0.000 0.854 243 G HN 0.545 nan 8.290 nan 0.000 0.572 244 P HA -0.138 nan 4.420 nan 0.000 0.217 244 P C 0.937 177.857 177.300 -0.634 0.000 1.148 244 P CA 1.282 64.178 63.100 -0.341 0.000 0.828 244 P CB 0.172 31.698 31.700 -0.290 0.000 0.783 245 R N -1.506 118.571 120.500 -0.706 0.000 2.659 245 R HA 0.319 4.657 4.340 -0.003 0.000 0.418 245 R C -0.728 175.292 176.300 -0.467 0.000 1.076 245 R CA -0.482 55.103 56.100 -0.858 0.000 1.093 245 R CB -0.106 29.359 30.300 -1.393 0.000 1.400 245 R HN -0.098 nan 8.270 nan 0.000 0.583 246 D N 2.050 122.253 120.400 -0.328 0.000 2.256 246 D HA 0.291 4.929 4.640 -0.003 0.000 0.250 246 D C -0.073 176.093 176.300 -0.223 0.000 1.093 246 D CA -0.139 53.722 54.000 -0.232 0.000 0.882 246 D CB 1.824 42.512 40.800 -0.186 0.000 1.185 246 D HN 0.367 nan 8.370 nan 0.000 0.437 247 A N 1.539 124.245 122.820 -0.191 0.000 2.407 247 A HA 0.543 4.861 4.320 -0.003 0.000 0.248 247 A C 0.478 177.906 177.584 -0.261 0.000 1.082 247 A CA -0.412 51.508 52.037 -0.195 0.000 0.785 247 A CB 0.334 19.252 19.000 -0.136 0.000 1.020 247 A HN 0.613 nan 8.150 nan 0.000 0.489 248 A N 2.839 125.417 122.820 -0.403 0.000 2.406 248 A HA 0.492 4.810 4.320 -0.003 0.000 0.243 248 A C -1.294 176.126 177.584 -0.273 0.000 1.082 248 A CA -0.778 50.917 52.037 -0.569 0.000 0.786 248 A CB -0.490 17.756 19.000 -1.256 0.000 1.029 248 A HN 0.624 nan 8.150 nan 0.000 0.495 249 P HA 0.008 nan 4.420 nan 0.000 0.226 249 P C 0.029 177.321 177.300 -0.012 0.000 1.153 249 P CA 1.206 64.270 63.100 -0.059 0.000 0.777 249 P CB -0.336 31.361 31.700 -0.006 0.000 0.794 250 V N -4.002 115.918 119.914 0.009 0.000 2.715 250 V HA 0.503 4.621 4.120 -0.003 0.000 0.310 250 V C -0.114 176.001 176.094 0.036 0.000 1.054 250 V CA -1.341 61.004 62.300 0.075 0.000 0.928 250 V CB 2.416 34.379 31.823 0.234 0.000 1.007 250 V HN -0.221 nan 8.190 nan 0.000 0.437 251 K N 1.995 122.408 120.400 0.021 0.000 2.177 251 K HA 0.806 5.124 4.320 -0.003 0.000 0.238 251 K C 0.199 176.809 176.600 0.016 0.000 1.015 251 K CA -0.299 55.994 56.287 0.011 0.000 0.922 251 K CB 1.627 34.124 32.500 -0.006 0.000 1.127 251 K HN 1.069 nan 8.250 nan 0.000 0.469 252 A N 1.234 124.070 122.820 0.026 0.000 2.498 252 A HA -0.051 4.267 4.320 -0.003 0.000 0.239 252 A C 0.044 177.611 177.584 -0.029 0.000 1.068 252 A CA 0.003 52.051 52.037 0.019 0.000 0.766 252 A CB -0.011 19.023 19.000 0.056 0.000 1.003 252 A HN 0.774 nan 8.150 nan 0.000 0.497 253 D N 2.301 122.658 120.400 -0.072 0.000 2.458 253 D HA 0.062 4.700 4.640 -0.003 0.000 0.243 253 D C -1.528 174.752 176.300 -0.033 0.000 1.146 253 D CA -1.092 52.849 54.000 -0.099 0.000 0.877 253 D CB 0.948 41.661 40.800 -0.146 0.000 1.176 253 D HN 0.161 nan 8.370 nan 0.000 0.461 254 P HA -0.061 nan 4.420 nan 0.000 0.222 254 P C 0.773 178.074 177.300 0.001 0.000 1.147 254 P CA 0.850 63.943 63.100 -0.013 0.000 0.790 254 P CB 0.144 31.831 31.700 -0.022 0.000 0.780 255 A N -1.296 121.523 122.820 -0.002 0.000 2.067 255 A HA -0.085 4.233 4.320 -0.003 0.000 0.219 255 A C 2.041 179.654 177.584 0.049 0.000 1.158 255 A CA 1.155 53.201 52.037 0.016 0.000 0.661 255 A CB -1.226 17.781 19.000 0.011 0.000 0.801 255 A HN 0.161 nan 8.150 nan 0.000 0.452 256 I N -1.741 118.872 120.570 0.072 0.000 2.729 256 I HA 0.276 4.444 4.170 -0.003 0.000 0.256 256 I C 1.032 177.213 176.117 0.107 0.000 1.115 256 I CA 0.883 62.263 61.300 0.133 0.000 1.446 256 I CB 0.236 38.378 38.000 0.237 0.000 1.176 256 I HN 0.281 nan 8.210 nan 0.000 0.446 257 A N -0.697 122.173 122.820 0.083 0.000 2.587 257 A HA 0.591 4.909 4.320 -0.003 0.000 0.293 257 A C 0.481 178.090 177.584 0.042 0.000 1.087 257 A CA 0.088 52.167 52.037 0.070 0.000 0.692 257 A CB 1.077 20.138 19.000 0.101 0.000 1.291 257 A HN 0.515 nan 8.150 nan 0.000 0.407 258 G N 0.762 109.583 108.800 0.035 0.000 2.162 258 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.260 258 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.260 258 G C 0.986 175.895 174.900 0.014 0.000 0.976 258 G CA 1.368 46.483 45.100 0.025 0.000 0.655 258 G HN 1.607 nan 8.290 nan 0.000 0.533 259 K N -0.413 119.994 120.400 0.011 0.000 2.209 259 K HA -0.041 4.277 4.320 -0.003 0.000 0.204 259 K C 1.266 177.868 176.600 0.004 0.000 1.048 259 K CA 1.517 57.806 56.287 0.004 0.000 0.940 259 K CB -0.099 32.402 32.500 0.002 0.000 0.729 259 K HN 0.280 nan 8.250 nan 0.000 0.451 260 N N 1.319 120.023 118.700 0.006 0.000 2.273 260 N HA 0.076 4.814 4.740 -0.003 0.000 0.231 260 N C -0.564 174.951 175.510 0.008 0.000 1.134 260 N CA 0.130 53.183 53.050 0.005 0.000 0.856 260 N CB 1.206 39.696 38.487 0.004 0.000 1.068 260 N HN 0.258 nan 8.380 nan 0.000 0.510 261 V N -2.406 117.514 119.914 0.010 0.000 2.914 261 V HA 0.496 4.614 4.120 -0.003 0.000 0.314 261 V C 0.009 176.109 176.094 0.010 0.000 1.084 261 V CA -1.052 61.255 62.300 0.012 0.000 0.963 261 V CB 2.418 34.252 31.823 0.018 0.000 1.025 261 V HN -0.201 nan 8.190 nan 0.000 0.432 262 E N 2.285 122.491 120.200 0.010 0.000 2.498 262 E HA 0.323 4.671 4.350 -0.003 0.000 0.252 262 E C 1.232 177.837 176.600 0.009 0.000 1.025 262 E CA 1.438 57.843 56.400 0.009 0.000 0.938 262 E CB 0.326 30.032 29.700 0.010 0.000 0.947 262 E HN 1.609 nan 8.360 nan 0.000 0.478 263 G N 2.746 111.549 108.800 0.005 0.000 2.176 263 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.253 263 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.253 263 G C 0.761 175.663 174.900 0.003 0.000 0.979 263 G CA 0.226 45.327 45.100 0.003 0.000 0.641 263 G HN 1.146 nan 8.290 nan 0.000 0.530 264 G N -1.379 107.424 108.800 0.006 0.000 2.601 264 G HA2 -0.008 3.950 3.960 -0.003 0.000 0.252 264 G HA3 -0.008 3.950 3.960 -0.003 0.000 0.252 264 G C 0.698 175.607 174.900 0.015 0.000 1.294 264 G CA 0.734 45.839 45.100 0.008 0.000 0.912 264 G HN 2.069 nan 8.290 nan 0.000 0.574 265 C N 1.490 120.802 119.300 0.020 0.000 2.271 265 C HA 0.703 5.161 4.460 -0.003 0.000 0.323 265 C C 0.867 175.873 174.990 0.026 0.000 1.245 265 C CA -0.586 58.451 59.018 0.032 0.000 1.548 265 C CB -1.375 26.394 27.740 0.048 0.000 2.214 265 C HN 1.190 nan 8.230 nan 0.000 0.477 266 L N 5.171 126.406 121.223 0.019 0.000 2.472 266 L HA 0.643 4.981 4.340 -0.003 0.000 0.260 266 L C -0.545 176.332 176.870 0.013 0.000 1.209 266 L CA 0.126 54.966 54.840 -0.000 0.000 0.817 266 L CB 0.169 42.216 42.059 -0.020 0.000 1.106 266 L HN 0.516 nan 8.230 nan 0.000 0.479 267 L N 2.095 123.307 121.223 -0.019 0.000 2.313 267 L HA 0.766 5.104 4.340 -0.003 0.000 0.283 267 L C 0.407 177.228 176.870 -0.082 0.000 1.013 267 L CA -0.709 54.139 54.840 0.013 0.000 0.816 267 L CB 1.415 43.535 42.059 0.103 0.000 1.236 267 L HN 1.007 nan 8.230 nan 0.000 0.419 268 A N 4.663 127.482 122.820 -0.002 0.000 2.272 268 A HA 0.542 4.860 4.320 -0.003 0.000 0.275 268 A C -1.838 175.766 177.584 0.034 0.000 1.096 268 A CA -1.237 50.779 52.037 -0.035 0.000 0.822 268 A CB 0.106 19.109 19.000 0.005 0.000 1.088 268 A HN 0.601 nan 8.150 nan 0.000 0.495 269 P HA 0.085 nan 4.420 nan 0.000 0.222 269 P C 0.907 178.423 177.300 0.361 0.000 1.147 269 P CA 1.812 65.011 63.100 0.165 0.000 0.790 269 P CB -0.080 31.637 31.700 0.029 0.000 0.780 270 G N -1.377 107.498 108.800 0.124 0.000 2.693 270 G HA2 0.243 4.201 3.960 -0.003 0.000 0.226 270 G HA3 0.243 4.201 3.960 -0.003 0.000 0.226 270 G C -0.032 174.572 174.900 -0.494 0.000 1.354 270 G CA -0.645 44.355 45.100 -0.167 0.000 0.873 270 G HN 0.615 nan 8.290 nan 0.000 0.562 271 G N -2.262 105.913 108.800 -1.042 0.000 2.322 271 G HA2 0.762 4.720 3.960 -0.003 0.000 0.295 271 G HA3 0.762 4.720 3.960 -0.003 0.000 0.295 271 G C 0.075 174.720 174.900 -0.424 0.000 1.369 271 G CA 0.607 45.356 45.100 -0.585 0.000 0.821 271 G HN 2.150 nan 8.290 nan 0.000 0.536 272 G N -0.878 107.785 108.800 -0.229 0.000 2.503 272 G HA2 0.440 4.398 3.960 -0.003 0.000 0.257 272 G HA3 0.440 4.398 3.960 -0.003 0.000 0.257 272 G C 0.878 175.683 174.900 -0.158 0.000 1.214 272 G CA 0.785 45.765 45.100 -0.199 0.000 0.839 272 G HN 0.790 nan 8.290 nan 0.000 0.559 273 D N 0.997 121.307 120.400 -0.150 0.000 2.104 273 D HA -0.208 4.430 4.640 -0.003 0.000 0.194 273 D C 1.676 177.939 176.300 -0.061 0.000 0.994 273 D CA 1.548 55.487 54.000 -0.100 0.000 0.830 273 D CB -0.589 40.145 40.800 -0.111 0.000 0.959 273 D HN 0.512 nan 8.370 nan 0.000 0.452 274 N N 0.852 119.515 118.700 -0.062 0.000 2.061 274 N HA -0.071 4.667 4.740 -0.003 0.000 0.193 274 N C 1.019 176.531 175.510 0.004 0.000 1.030 274 N CA 1.735 54.780 53.050 -0.008 0.000 0.856 274 N CB -0.273 38.239 38.487 0.041 0.000 1.023 274 N HN 0.346 nan 8.380 nan 0.000 0.424 278 S N 0.420 116.115 115.700 -0.008 0.000 2.368 278 S HA -0.139 4.329 4.470 -0.003 0.000 0.225 278 S C 1.829 176.404 174.600 -0.042 0.000 1.030 278 S CA 1.719 59.896 58.200 -0.038 0.000 0.999 278 S CB -0.375 62.813 63.200 -0.020 0.000 0.844 278 S HN 0.578 nan 8.310 nan 0.000 0.459 279 L N 2.118 123.329 121.223 -0.020 0.000 2.012 279 L HA -0.010 4.328 4.340 -0.003 0.000 0.210 279 L C 2.343 179.190 176.870 -0.038 0.000 1.073 279 L CA 2.013 56.831 54.840 -0.036 0.000 0.748 279 L CB -1.304 40.751 42.059 -0.006 0.000 0.891 279 L HN 0.337 nan 8.230 nan 0.000 0.431 280 G N -0.915 107.897 108.800 0.020 0.000 2.448 280 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.219 280 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.219 280 G C 1.518 176.449 174.900 0.051 0.000 1.127 280 G CA 0.853 46.004 45.100 0.085 0.000 0.766 280 G HN 0.424 nan 8.290 nan 0.000 0.552 281 L N 0.446 121.638 121.223 -0.052 0.000 2.599 281 L HA 0.282 4.620 4.340 -0.003 0.000 0.230 281 L C 1.618 178.430 176.870 -0.096 0.000 1.141 281 L CA 0.213 54.965 54.840 -0.146 0.000 0.877 281 L CB -0.538 41.354 42.059 -0.278 0.000 1.009 281 L HN 0.414 nan 8.230 nan 0.000 0.447 285 V N 1.223 121.052 119.914 -0.141 0.000 2.539 285 V HA 0.368 4.486 4.120 -0.003 0.000 0.300 285 V C 1.643 177.685 176.094 -0.086 0.000 1.019 285 V CA 2.468 64.687 62.300 -0.135 0.000 1.160 285 V CB -0.006 31.690 31.823 -0.212 0.000 0.901 285 V HN 2.610 nan 8.190 nan 0.000 0.481 286 G N 3.923 112.687 108.800 -0.060 0.000 2.238 286 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.217 286 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.217 286 G C -0.087 174.786 174.900 -0.045 0.000 0.996 286 G CA -0.067 45.004 45.100 -0.047 0.000 0.632 286 G HN 0.642 nan 8.290 nan 0.000 0.503 287 D N 0.390 120.760 120.400 -0.050 0.000 2.302 287 D HA 0.562 5.200 4.640 -0.003 0.000 0.248 287 D C 0.011 176.286 176.300 -0.043 0.000 1.094 287 D CA 0.069 54.039 54.000 -0.050 0.000 0.897 287 D CB 2.290 43.055 40.800 -0.059 0.000 1.200 287 D HN 0.353 nan 8.370 nan 0.000 0.429 288 V N 1.124 121.013 119.914 -0.043 0.000 2.823 288 V HA 0.583 4.701 4.120 -0.003 0.000 0.312 288 V C -0.731 175.335 176.094 -0.045 0.000 1.072 288 V CA -0.509 61.768 62.300 -0.039 0.000 0.937 288 V CB 2.079 33.881 31.823 -0.035 0.000 1.013 288 V HN 0.690 nan 8.190 nan 0.000 0.430 289 S N 6.224 121.898 115.700 -0.042 0.000 2.501 289 S HA 0.738 5.206 4.470 -0.003 0.000 0.301 289 S C -0.844 173.739 174.600 -0.028 0.000 1.096 289 S CA -0.665 57.506 58.200 -0.047 0.000 1.063 289 S CB 1.466 64.628 63.200 -0.063 0.000 1.042 289 S HN 0.605 nan 8.310 nan 0.000 0.494 290 I N 2.589 123.145 120.570 -0.023 0.000 2.354 290 I HA 0.306 4.474 4.170 -0.003 0.000 0.286 290 I C 0.087 176.208 176.117 0.006 0.000 1.007 290 I CA -0.269 61.027 61.300 -0.007 0.000 1.167 290 I CB 1.764 39.759 38.000 -0.008 0.000 1.320 290 I HN 0.694 nan 8.210 nan 0.000 0.458 291 S N 6.946 122.655 115.700 0.016 0.000 2.410 291 S HA 0.444 4.912 4.470 -0.003 0.000 0.304 291 S C -0.602 174.019 174.600 0.035 0.000 1.095 291 S CA -0.488 57.732 58.200 0.032 0.000 1.089 291 S CB 0.321 63.542 63.200 0.037 0.000 0.968 291 S HN 0.402 nan 8.310 nan 0.000 0.480 292 L N 6.626 127.871 121.223 0.037 0.000 2.335 292 L HA 0.638 4.976 4.340 -0.003 0.000 0.268 292 L C 0.598 177.493 176.870 0.040 0.000 1.037 292 L CA 0.108 54.972 54.840 0.040 0.000 0.895 292 L CB 0.470 42.551 42.059 0.036 0.000 1.266 292 L HN 0.766 nan 8.230 nan 0.000 0.439 293 G N 0.825 109.653 108.800 0.046 0.000 2.782 293 G HA2 0.301 4.259 3.960 -0.003 0.000 0.201 293 G HA3 0.301 4.259 3.960 -0.003 0.000 0.201 293 G C 0.892 175.826 174.900 0.056 0.000 1.374 293 G CA 0.436 45.564 45.100 0.047 0.000 1.039 293 G HN 0.532 nan 8.290 nan 0.000 0.576 294 T N -1.687 112.904 114.554 0.061 0.000 2.737 294 T HA -0.063 4.285 4.350 -0.003 0.000 0.269 294 T C 1.436 176.184 174.700 0.080 0.000 1.040 294 T CA 1.700 63.840 62.100 0.068 0.000 1.142 294 T CB -0.546 68.362 68.868 0.066 0.000 0.861 294 T HN 0.908 nan 8.240 nan 0.000 0.456 295 S N -0.155 115.596 115.700 0.086 0.000 2.704 295 S HA 0.759 5.227 4.470 -0.003 0.000 0.305 295 S C -0.034 174.613 174.600 0.077 0.000 1.107 295 S CA -0.545 57.710 58.200 0.092 0.000 0.993 295 S CB 1.840 65.103 63.200 0.107 0.000 1.110 295 S HN 0.694 nan 8.310 nan 0.000 0.534 296 G N -0.512 108.332 108.800 0.074 0.000 2.453 296 G HA2 0.636 4.594 3.960 -0.003 0.000 0.323 296 G HA3 0.636 4.594 3.960 -0.003 0.000 0.323 296 G C -1.625 173.304 174.900 0.047 0.000 1.198 296 G CA -0.861 44.273 45.100 0.057 0.000 0.959 296 G HN 0.911 nan 8.290 nan 0.000 0.482 297 V N 0.721 120.655 119.914 0.035 0.000 2.488 297 V HA 0.634 4.752 4.120 -0.003 0.000 0.293 297 V C 0.097 176.201 176.094 0.016 0.000 1.027 297 V CA -0.853 61.463 62.300 0.027 0.000 0.862 297 V CB 1.328 33.165 31.823 0.022 0.000 1.008 297 V HN 1.132 nan 8.190 nan 0.000 0.428 298 A N 4.110 126.936 122.820 0.010 0.000 2.253 298 A HA 0.895 5.213 4.320 -0.003 0.000 0.316 298 A C 0.178 177.759 177.584 -0.006 0.000 1.327 298 A CA -0.122 51.914 52.037 -0.002 0.000 0.917 298 A CB 0.772 19.768 19.000 -0.007 0.000 1.162 298 A HN 1.332 nan 8.150 nan 0.000 0.535 299 A N 2.292 125.109 122.820 -0.005 0.000 2.319 299 A HA 0.798 5.116 4.320 -0.003 0.000 0.310 299 A C 0.027 177.607 177.584 -0.007 0.000 1.152 299 A CA 0.126 52.164 52.037 0.001 0.000 0.783 299 A CB 0.904 19.915 19.000 0.018 0.000 1.184 299 A HN 1.978 nan 8.150 nan 0.000 0.474 300 A N 2.400 125.217 122.820 -0.005 0.000 2.356 300 A HA 0.800 5.118 4.320 -0.003 0.000 0.323 300 A C -0.559 177.030 177.584 0.009 0.000 1.119 300 A CA -0.560 51.472 52.037 -0.008 0.000 0.790 300 A CB 0.615 19.606 19.000 -0.014 0.000 1.273 300 A HN 0.761 nan 8.150 nan 0.000 0.452 301 I N 1.533 122.103 120.570 0.000 0.000 2.325 301 I HA 0.349 4.517 4.170 -0.003 0.000 0.291 301 I C 0.569 176.695 176.117 0.015 0.000 1.019 301 I CA 0.080 61.389 61.300 0.015 0.000 1.302 301 I CB 1.654 39.646 38.000 -0.014 0.000 1.401 301 I HN 0.498 nan 8.210 nan 0.000 0.485 302 S N 4.022 119.767 115.700 0.075 0.000 2.473 302 S HA 0.241 4.709 4.470 -0.003 0.000 0.307 302 S C 0.764 175.460 174.600 0.160 0.000 1.094 302 S CA -0.611 57.640 58.200 0.085 0.000 1.070 302 S CB 1.506 64.757 63.200 0.086 0.000 1.019 302 S HN 0.685 nan 8.310 nan 0.000 0.480 303 E N 4.664 124.912 120.200 0.079 0.000 2.085 303 E HA -0.073 4.275 4.350 -0.003 0.000 0.194 303 E C -0.005 176.781 176.600 0.310 0.000 0.994 303 E CA 1.662 58.143 56.400 0.136 0.000 0.801 303 E CB 0.033 29.761 29.700 0.046 0.000 0.743 303 E HN 0.787 nan 8.360 nan 0.000 0.453 304 N N -0.225 118.557 118.700 0.136 0.000 2.432 304 N HA 0.363 5.101 4.740 -0.003 0.000 0.292 304 N C -2.745 172.490 175.510 -0.458 0.000 1.193 304 N CA -2.009 51.014 53.050 -0.046 0.000 0.878 304 N CB 1.654 40.118 38.487 -0.038 0.000 1.252 304 N HN -0.123 nan 8.380 nan 0.000 0.520 305 P HA 0.009 nan 4.420 nan 0.000 0.267 305 P C -0.839 176.083 177.300 -0.630 0.000 1.201 305 P CA 0.094 62.496 63.100 -1.163 0.000 0.775 305 P CB 0.366 31.603 31.700 -0.772 0.000 0.854 306 T N -0.563 113.587 114.554 -0.673 0.000 2.861 306 T HA 0.597 4.945 4.350 -0.003 0.000 0.287 306 T C -1.281 173.068 174.700 -0.584 0.000 1.003 306 T CA -0.572 61.277 62.100 -0.419 0.000 0.977 306 T CB 0.744 69.493 68.868 -0.199 0.000 0.996 306 T HN 0.153 nan 8.240 nan 0.000 0.448 307 Y N 1.103 121.378 120.300 -0.041 0.000 2.594 307 Y HA 0.356 4.904 4.550 -0.003 0.000 0.338 307 Y C -0.206 175.691 175.900 -0.005 0.000 1.019 307 Y CA -1.277 56.812 58.100 -0.018 0.000 1.306 307 Y CB 1.159 39.607 38.460 -0.020 0.000 1.094 307 Y HN 0.750 nan 8.280 nan 0.000 0.534 308 D N 3.556 124.016 120.400 0.099 0.000 2.435 308 D HA 0.123 4.761 4.640 -0.003 0.000 0.230 308 D C 0.862 177.219 176.300 0.095 0.000 1.215 308 D CA 0.186 54.231 54.000 0.075 0.000 0.947 308 D CB 0.639 41.458 40.800 0.032 0.000 1.048 308 D HN 0.622 nan 8.370 nan 0.000 0.512 309 L N 2.357 123.638 121.223 0.097 0.000 2.349 309 L HA -0.141 4.197 4.340 -0.003 0.000 0.220 309 L C 2.103 179.018 176.870 0.076 0.000 1.130 309 L CA 0.755 55.648 54.840 0.088 0.000 0.791 309 L CB -0.401 41.695 42.059 0.060 0.000 0.918 309 L HN 0.370 nan 8.230 nan 0.000 0.444 310 T N -0.595 113.997 114.554 0.062 0.000 2.951 310 T HA 0.004 4.352 4.350 -0.003 0.000 0.268 310 T C 1.408 176.138 174.700 0.050 0.000 1.073 310 T CA 1.173 63.302 62.100 0.048 0.000 1.134 310 T CB -0.095 68.794 68.868 0.035 0.000 0.884 310 T HN 0.669 nan 8.240 nan 0.000 0.479 311 G N 0.157 108.993 108.800 0.060 0.000 2.137 311 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.237 311 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.237 311 G C 0.796 175.713 174.900 0.029 0.000 1.002 311 G CA 0.451 45.588 45.100 0.062 0.000 0.702 311 G HN 0.688 nan 8.290 nan 0.000 0.515 312 A N -0.829 121.999 122.820 0.014 0.000 1.862 312 A HA 0.603 4.921 4.320 -0.003 0.000 0.211 312 A C 1.360 178.933 177.584 -0.018 0.000 1.220 312 A CA 1.508 53.541 52.037 -0.007 0.000 0.616 312 A CB 0.002 18.995 19.000 -0.010 0.000 0.878 312 A HN 1.112 nan 8.150 nan 0.000 0.453 313 V N 2.086 121.985 119.914 -0.024 0.000 2.455 313 V HA 0.256 4.374 4.120 -0.003 0.000 0.273 313 V C 0.294 176.321 176.094 -0.112 0.000 1.045 313 V CA -0.446 61.816 62.300 -0.065 0.000 0.976 313 V CB 0.792 32.583 31.823 -0.054 0.000 0.993 313 V HN 0.361 nan 8.190 nan 0.000 0.475 314 S N 3.472 119.033 115.700 -0.232 0.000 2.562 314 S HA 0.341 4.809 4.470 -0.003 0.000 0.281 314 S C 0.839 175.158 174.600 -0.469 0.000 1.333 314 S CA 0.033 57.958 58.200 -0.459 0.000 1.052 314 S CB 1.058 63.609 63.200 -1.082 0.000 0.884 314 S HN 1.061 nan 8.310 nan 0.000 0.506 315 G N 2.802 111.416 108.800 -0.310 0.000 3.963 315 G HA2 0.494 4.452 3.960 -0.003 0.000 0.315 315 G HA3 0.494 4.452 3.960 -0.003 0.000 0.315 315 G C -0.488 174.464 174.900 0.086 0.000 1.254 315 G CA -0.372 44.637 45.100 -0.150 0.000 1.395 315 G HN 0.395 nan 8.290 nan 0.000 0.538 316 F N 0.992 120.967 119.950 0.041 0.000 2.362 316 F HA 0.739 5.264 4.527 -0.003 0.000 0.311 316 F C 0.780 176.635 175.800 0.093 0.000 1.161 316 F CA -1.929 56.101 58.000 0.050 0.000 1.085 316 F CB 1.272 40.287 39.000 0.025 0.000 1.311 316 F HN 0.363 nan 8.300 nan 0.000 0.524 317 A N 0.505 123.476 122.820 0.251 0.000 2.306 317 A HA 0.570 4.888 4.320 -0.003 0.000 0.330 317 A C -0.364 177.233 177.584 0.022 0.000 1.146 317 A CA -0.529 51.533 52.037 0.041 0.000 0.827 317 A CB 0.521 19.481 19.000 -0.067 0.000 1.178 317 A HN 0.707 nan 8.150 nan 0.000 0.490 318 D N -0.894 119.485 120.400 -0.036 0.000 2.539 318 D HA 0.191 4.829 4.640 -0.003 0.000 0.280 318 D C 0.187 176.476 176.300 -0.018 0.000 1.208 318 D CA -0.439 53.564 54.000 0.005 0.000 1.088 318 D CB 0.505 41.330 40.800 0.042 0.000 1.149 318 D HN 0.255 nan 8.370 nan 0.000 0.596 319 C N -0.445 118.868 119.300 0.022 0.000 2.589 319 C HA 0.336 4.794 4.460 -0.003 0.000 0.307 319 C C 1.320 176.402 174.990 0.154 0.000 1.328 319 C CA 0.381 59.426 59.018 0.046 0.000 1.742 319 C CB -1.611 26.158 27.740 0.048 0.000 2.037 319 C HN 0.726 nan 8.230 nan 0.000 0.592 320 T N -3.814 110.829 114.554 0.149 0.000 3.231 320 T HA 0.406 4.754 4.350 -0.003 0.000 0.292 320 T C 1.219 175.953 174.700 0.058 0.000 1.001 320 T CA 0.819 63.092 62.100 0.289 0.000 0.920 320 T CB 0.207 69.268 68.868 0.322 0.000 1.140 320 T HN 0.701 nan 8.240 nan 0.000 0.525 321 G N 0.873 109.589 108.800 -0.139 0.000 2.157 321 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.248 321 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.248 321 G C -0.047 174.476 174.900 -0.629 0.000 0.979 321 G CA 0.462 45.342 45.100 -0.367 0.000 0.650 321 G HN 0.755 nan 8.290 nan 0.000 0.529 322 H N -1.767 117.173 119.070 -0.217 0.000 3.751 322 H HA 0.783 5.337 4.556 -0.003 0.000 0.287 322 H C -0.538 174.415 175.328 -0.625 0.000 1.629 322 H CA -0.626 55.245 56.048 -0.296 0.000 1.526 322 H CB 0.703 30.451 29.762 -0.024 0.000 1.032 322 H HN 0.177 nan 8.280 nan 0.000 0.828 323 Y N -0.365 120.044 120.300 0.180 0.000 2.499 323 Y HA 0.410 4.958 4.550 -0.003 0.000 0.347 323 Y C -1.027 174.910 175.900 0.062 0.000 0.987 323 Y CA -0.902 57.248 58.100 0.084 0.000 1.044 323 Y CB 1.836 40.315 38.460 0.032 0.000 1.245 323 Y HN 0.213 nan 8.280 nan 0.000 0.461 324 L N 5.942 127.287 121.223 0.203 0.000 2.556 324 L HA 0.508 4.846 4.340 -0.003 0.000 0.243 324 L C -2.664 174.251 176.870 0.074 0.000 1.331 324 L CA -2.125 52.794 54.840 0.132 0.000 0.927 324 L CB 0.656 42.807 42.059 0.153 0.000 1.219 324 L HN 0.282 nan 8.230 nan 0.000 0.490 325 P HA 0.025 nan 4.420 nan 0.000 0.263 325 P C -0.907 176.347 177.300 -0.077 0.000 1.195 325 P CA 0.155 63.218 63.100 -0.062 0.000 0.762 325 P CB 1.075 32.749 31.700 -0.044 0.000 0.799 326 L N 3.639 124.761 121.223 -0.167 0.000 2.376 326 L HA 0.670 5.008 4.340 -0.003 0.000 0.275 326 L C -0.785 176.017 176.870 -0.113 0.000 0.987 326 L CA -0.539 54.225 54.840 -0.126 0.000 0.828 326 L CB 1.691 43.660 42.059 -0.151 0.000 1.249 326 L HN 0.372 nan 8.230 nan 0.000 0.409 327 A N 4.728 127.520 122.820 -0.047 0.000 2.293 327 A HA 0.591 4.909 4.320 -0.003 0.000 0.312 327 A C -0.592 176.993 177.584 0.002 0.000 1.309 327 A CA -0.456 51.566 52.037 -0.026 0.000 0.839 327 A CB 0.291 19.282 19.000 -0.015 0.000 1.155 327 A HN 0.740 nan 8.150 nan 0.000 0.501 328 C N 2.512 121.819 119.300 0.012 0.000 2.452 328 C HA 0.710 5.168 4.460 -0.003 0.000 0.379 328 C C 0.958 175.967 174.990 0.031 0.000 1.275 328 C CA -0.233 58.806 59.018 0.035 0.000 2.056 328 C CB 0.287 28.063 27.740 0.059 0.000 2.506 328 C HN 0.843 nan 8.230 nan 0.000 0.560 329 T N 1.483 116.065 114.554 0.047 0.000 2.792 329 T HA 0.418 4.766 4.350 -0.003 0.000 0.280 329 T C 1.058 175.802 174.700 0.073 0.000 0.990 329 T CA -0.654 61.478 62.100 0.054 0.000 0.960 329 T CB 0.831 69.742 68.868 0.073 0.000 0.939 329 T HN 0.402 nan 8.240 nan 0.000 0.439 330 I N 1.407 122.018 120.570 0.068 0.000 2.226 330 I HA -0.082 4.086 4.170 -0.003 0.000 0.245 330 I C 0.818 177.007 176.117 0.121 0.000 1.100 330 I CA 1.023 62.376 61.300 0.089 0.000 1.374 330 I CB -0.703 37.344 38.000 0.080 0.000 1.057 330 I HN 0.686 nan 8.210 nan 0.000 0.413 331 N N 1.609 120.401 118.700 0.152 0.000 2.527 331 N HA 0.297 5.035 4.740 -0.003 0.000 0.236 331 N C 0.491 176.100 175.510 0.165 0.000 0.999 331 N CA 0.120 53.288 53.050 0.196 0.000 0.935 331 N CB 1.973 40.648 38.487 0.313 0.000 1.132 331 N HN 0.200 nan 8.380 nan 0.000 0.511 332 G N 0.452 109.330 108.800 0.128 0.000 3.345 332 G HA2 -0.055 3.903 3.960 -0.003 0.000 0.202 332 G HA3 -0.055 3.903 3.960 -0.003 0.000 0.202 332 G C 1.007 175.969 174.900 0.104 0.000 1.740 332 G CA -0.013 45.151 45.100 0.107 0.000 0.806 332 G HN 0.391 nan 8.290 nan 0.000 0.718 333 S N 0.542 116.292 115.700 0.084 0.000 2.419 333 S HA -0.172 4.296 4.470 -0.003 0.000 0.235 333 S C 2.443 177.092 174.600 0.080 0.000 1.019 333 S CA 2.004 60.255 58.200 0.084 0.000 0.982 333 S CB -0.439 62.801 63.200 0.066 0.000 0.789 333 S HN 0.546 nan 8.310 nan 0.000 0.490 334 R N 0.810 121.347 120.500 0.061 0.000 2.139 334 R HA -0.082 4.256 4.340 -0.003 0.000 0.243 334 R C 2.060 178.326 176.300 -0.057 0.000 1.145 334 R CA 1.837 57.942 56.100 0.009 0.000 0.976 334 R CB -0.957 29.349 30.300 0.010 0.000 0.866 334 R HN 0.461 nan 8.270 nan 0.000 0.449 335 I N 1.398 121.984 120.570 0.027 0.000 2.248 335 I HA -0.285 3.883 4.170 -0.003 0.000 0.248 335 I C 2.382 178.507 176.117 0.013 0.000 1.107 335 I CA 1.280 62.624 61.300 0.073 0.000 1.373 335 I CB -0.318 37.841 38.000 0.265 0.000 1.055 335 I HN 0.216 nan 8.210 nan 0.000 0.418 336 L N 0.026 121.259 121.223 0.018 0.000 2.217 336 L HA -0.166 4.172 4.340 -0.003 0.000 0.211 336 L C 2.077 178.827 176.870 -0.201 0.000 1.107 336 L CA 1.349 56.163 54.840 -0.044 0.000 0.783 336 L CB -0.863 41.270 42.059 0.124 0.000 0.919 336 L HN 0.323 nan 8.230 nan 0.000 0.442 337 D N 0.516 120.829 120.400 -0.145 0.000 2.097 337 D HA -0.131 4.507 4.640 -0.003 0.000 0.197 337 D C 2.233 178.351 176.300 -0.303 0.000 0.984 337 D CA 1.406 55.280 54.000 -0.210 0.000 0.826 337 D CB 0.114 40.852 40.800 -0.104 0.000 0.973 337 D HN 0.228 nan 8.370 nan 0.000 0.460 338 A N 1.244 123.855 122.820 -0.348 0.000 1.892 338 A HA -0.148 4.170 4.320 -0.003 0.000 0.218 338 A C 2.429 179.703 177.584 -0.517 0.000 1.188 338 A CA 2.489 54.285 52.037 -0.401 0.000 0.631 338 A CB -1.299 17.324 19.000 -0.629 0.000 0.822 338 A HN 0.320 nan 8.150 nan 0.000 0.447 339 G N -0.878 107.344 108.800 -0.962 0.000 2.440 339 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.218 339 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.218 339 G C 1.783 176.254 174.900 -0.714 0.000 1.154 339 G CA 1.017 45.162 45.100 -1.592 0.000 0.767 339 G HN 0.595 nan 8.290 nan 0.000 0.552 340 R N 0.370 120.566 120.500 -0.507 0.000 2.066 340 R HA 0.089 4.427 4.340 -0.003 0.000 0.232 340 R C 3.089 179.236 176.300 -0.254 0.000 1.131 340 R CA 1.084 56.961 56.100 -0.372 0.000 0.955 340 R CB -0.407 29.629 30.300 -0.440 0.000 0.851 340 R HN 0.342 nan 8.270 nan 0.000 0.432 341 A N 1.432 124.116 122.820 -0.227 0.000 1.877 341 A HA -0.147 4.171 4.320 -0.003 0.000 0.216 341 A C 2.403 179.935 177.584 -0.085 0.000 1.186 341 A CA 1.806 53.763 52.037 -0.133 0.000 0.620 341 A CB -0.786 18.149 19.000 -0.108 0.000 0.822 341 A HN 0.405 nan 8.150 nan 0.000 0.443 342 A N -1.122 121.650 122.820 -0.080 0.000 1.908 342 A HA -0.016 4.303 4.320 -0.003 0.000 0.218 342 A C 1.843 179.435 177.584 0.014 0.000 1.181 342 A CA 1.865 53.925 52.037 0.038 0.000 0.627 342 A CB -0.383 18.751 19.000 0.224 0.000 0.818 342 A HN 0.423 nan 8.150 nan 0.000 0.445 343 L N -1.396 119.794 121.223 -0.055 0.000 2.585 343 L HA 0.310 4.648 4.340 -0.003 0.000 0.226 343 L C 1.419 178.257 176.870 -0.053 0.000 1.113 343 L CA 0.841 55.658 54.840 -0.038 0.000 0.876 343 L CB -0.524 41.505 42.059 -0.048 0.000 1.072 343 L HN 0.581 nan 8.230 nan 0.000 0.468 344 G N 0.974 109.730 108.800 -0.073 0.000 2.351 344 G HA2 -0.084 3.874 3.960 -0.003 0.000 0.297 344 G HA3 -0.084 3.874 3.960 -0.003 0.000 0.297 344 G C -0.013 174.842 174.900 -0.075 0.000 1.054 344 G CA 0.489 45.548 45.100 -0.068 0.000 1.123 344 G HN 0.467 nan 8.290 nan 0.000 0.512 345 V N -3.397 116.451 119.914 -0.111 0.000 3.159 345 V HA 0.919 5.037 4.120 -0.003 0.000 0.308 345 V C -0.304 175.696 176.094 -0.158 0.000 1.190 345 V CA -1.315 60.920 62.300 -0.108 0.000 1.037 345 V CB 2.222 33.985 31.823 -0.100 0.000 1.060 345 V HN 0.104 nan 8.190 nan 0.000 0.437 346 D N -0.394 119.932 120.400 -0.125 0.000 2.529 346 D HA 0.448 5.086 4.640 -0.003 0.000 0.273 346 D C 0.732 176.935 176.300 -0.162 0.000 1.197 346 D CA -0.223 53.681 54.000 -0.160 0.000 1.070 346 D CB 0.644 41.420 40.800 -0.040 0.000 1.134 346 D HN 0.650 nan 8.370 nan 0.000 0.590 347 Y N 0.606 120.884 120.300 -0.037 0.000 2.081 347 Y HA -0.220 4.328 4.550 -0.003 0.000 0.280 347 Y C 2.044 177.932 175.900 -0.020 0.000 1.163 347 Y CA 1.523 59.602 58.100 -0.034 0.000 1.135 347 Y CB -0.235 38.212 38.460 -0.021 0.000 0.970 347 Y HN 0.319 nan 8.280 nan 0.000 0.498 348 D N -0.234 120.260 120.400 0.157 0.000 2.117 348 D HA -0.136 4.502 4.640 -0.003 0.000 0.197 348 D C 1.946 178.286 176.300 0.066 0.000 0.987 348 D CA 1.430 55.495 54.000 0.109 0.000 0.829 348 D CB -0.268 40.589 40.800 0.094 0.000 0.961 348 D HN 0.388 nan 8.370 nan 0.000 0.460 349 E N 0.640 120.858 120.200 0.031 0.000 2.049 349 E HA -0.172 4.176 4.350 -0.003 0.000 0.198 349 E C 1.974 178.564 176.600 -0.016 0.000 1.007 349 E CA 0.392 56.794 56.400 0.004 0.000 0.809 349 E CB -0.431 29.256 29.700 -0.023 0.000 0.749 349 E HN 0.140 nan 8.360 nan 0.000 0.450 350 L N 0.620 121.814 121.223 -0.049 0.000 2.012 350 L HA -0.169 4.169 4.340 -0.003 0.000 0.210 350 L C 2.089 178.909 176.870 -0.083 0.000 1.073 350 L CA 2.279 57.072 54.840 -0.077 0.000 0.748 350 L CB -1.037 40.948 42.059 -0.124 0.000 0.891 350 L HN 0.142 nan 8.230 nan 0.000 0.431 351 A N -0.621 122.159 122.820 -0.066 0.000 1.858 351 A HA -0.282 4.036 4.320 -0.003 0.000 0.216 351 A C 2.463 179.969 177.584 -0.130 0.000 1.190 351 A CA 2.053 53.980 52.037 -0.184 0.000 0.617 351 A CB -0.716 18.288 19.000 0.008 0.000 0.827 351 A HN 0.514 nan 8.150 nan 0.000 0.443 352 K N -0.943 119.503 120.400 0.075 0.000 2.044 352 K HA -0.196 4.122 4.320 -0.003 0.000 0.210 352 K C 1.898 178.551 176.600 0.089 0.000 1.049 352 K CA 1.633 58.012 56.287 0.154 0.000 0.927 352 K CB -0.318 32.246 32.500 0.107 0.000 0.713 352 K HN 0.271 nan 8.250 nan 0.000 0.443 353 L N 1.129 122.364 121.223 0.019 0.000 1.971 353 L HA -0.189 4.149 4.340 -0.003 0.000 0.215 353 L C 2.497 179.362 176.870 -0.010 0.000 1.072 353 L CA 2.253 57.097 54.840 0.007 0.000 0.758 353 L CB -1.338 40.716 42.059 -0.008 0.000 0.889 353 L HN 0.340 nan 8.230 nan 0.000 0.433 354 A N -1.455 121.304 122.820 -0.102 0.000 1.902 354 A HA -0.224 4.094 4.320 -0.003 0.000 0.217 354 A C 2.060 179.582 177.584 -0.104 0.000 1.181 354 A CA 1.738 53.684 52.037 -0.151 0.000 0.623 354 A CB -0.898 17.924 19.000 -0.298 0.000 0.818 354 A HN 0.389 nan 8.150 nan 0.000 0.443 355 F N 0.020 119.999 119.950 0.047 0.000 2.407 355 F HA 0.078 4.603 4.527 -0.003 0.000 0.299 355 F C 2.588 178.407 175.800 0.031 0.000 1.097 355 F CA 0.193 58.216 58.000 0.038 0.000 1.422 355 F CB -0.649 38.371 39.000 0.033 0.000 1.067 355 F HN 0.254 nan 8.300 nan 0.000 0.539 356 A N -1.255 121.674 122.820 0.180 0.000 2.119 356 A HA -0.044 4.274 4.320 -0.003 0.000 0.217 356 A C 1.953 179.588 177.584 0.085 0.000 1.153 356 A CA 1.118 53.223 52.037 0.113 0.000 0.692 356 A CB -0.620 18.427 19.000 0.078 0.000 0.799 356 A HN 0.287 nan 8.150 nan 0.000 0.458 357 S N -0.908 114.840 115.700 0.081 0.000 2.393 357 S HA 0.458 4.926 4.470 -0.003 0.000 0.255 357 S C 0.177 174.821 174.600 0.074 0.000 1.210 357 S CA -0.181 58.056 58.200 0.062 0.000 1.013 357 S CB 0.264 63.492 63.200 0.047 0.000 1.055 357 S HN 0.471 nan 8.310 nan 0.000 0.483 358 K N 0.662 121.100 120.400 0.063 0.000 2.482 358 K HA 0.468 4.786 4.320 -0.003 0.000 0.257 358 K C -2.986 173.653 176.600 0.065 0.000 0.969 358 K CA -2.135 54.191 56.287 0.064 0.000 0.842 358 K CB 1.521 34.050 32.500 0.048 0.000 1.359 358 K HN 0.266 nan 8.250 nan 0.000 0.441 359 P HA -0.009 nan 4.420 nan 0.000 0.262 359 P C 0.398 177.732 177.300 0.057 0.000 1.199 359 P CA 1.059 64.198 63.100 0.066 0.000 0.763 359 P CB 0.342 32.079 31.700 0.062 0.000 0.790 360 G N 3.789 112.625 108.800 0.060 0.000 2.218 360 G HA2 -0.090 3.868 3.960 -0.003 0.000 0.216 360 G HA3 -0.090 3.868 3.960 -0.003 0.000 0.216 360 G C 0.592 175.521 174.900 0.048 0.000 0.994 360 G CA 0.208 45.341 45.100 0.054 0.000 0.637 360 G HN 0.846 nan 8.290 nan 0.000 0.505 361 A N -0.231 122.618 122.820 0.048 0.000 2.822 361 A HA -0.110 4.208 4.320 -0.003 0.000 0.287 361 A C 1.272 178.870 177.584 0.024 0.000 1.479 361 A CA 1.705 53.765 52.037 0.039 0.000 0.779 361 A CB -1.994 17.033 19.000 0.046 0.000 1.022 361 A HN 2.054 nan 8.150 nan 0.000 0.532 362 N N -2.576 116.138 118.700 0.024 0.000 2.710 362 N HA -0.245 4.493 4.740 -0.003 0.000 0.249 362 N C 1.288 176.802 175.510 0.008 0.000 1.059 362 N CA 2.347 55.406 53.050 0.014 0.000 0.720 362 N CB -1.367 37.125 38.487 0.009 0.000 0.983 362 N HN 2.424 nan 8.380 nan 0.000 0.544 363 G N -1.013 107.795 108.800 0.014 0.000 2.218 363 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.216 363 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.216 363 G C 0.120 175.026 174.900 0.009 0.000 0.994 363 G CA 0.098 45.203 45.100 0.009 0.000 0.637 363 G HN 0.399 nan 8.290 nan 0.000 0.505 364 I N 2.432 123.010 120.570 0.013 0.000 2.416 364 I HA 0.417 4.585 4.170 -0.003 0.000 0.288 364 I C 0.176 176.334 176.117 0.068 0.000 1.051 364 I CA 0.193 61.508 61.300 0.026 0.000 1.375 364 I CB 1.353 39.346 38.000 -0.011 0.000 1.407 364 I HN 0.014 nan 8.210 nan 0.000 0.516 365 T N 7.272 121.872 114.554 0.076 0.000 2.824 365 T HA 0.454 4.802 4.350 -0.003 0.000 0.282 365 T C -0.665 174.054 174.700 0.032 0.000 0.993 365 T CA -0.446 61.690 62.100 0.060 0.000 0.967 365 T CB 1.669 70.534 68.868 -0.006 0.000 0.960 365 T HN 0.232 nan 8.240 nan 0.000 0.441 366 L N 4.691 125.896 121.223 -0.030 0.000 2.296 366 L HA 0.658 4.996 4.340 -0.003 0.000 0.286 366 L C -0.887 175.824 176.870 -0.265 0.000 1.023 366 L CA -0.487 54.147 54.840 -0.344 0.000 0.812 366 L CB 1.156 42.913 42.059 -0.503 0.000 1.223 366 L HN 0.432 nan 8.230 nan 0.000 0.421 367 V N 7.907 127.529 119.914 -0.487 0.000 2.304 367 V HA 0.375 4.493 4.120 -0.003 0.000 0.269 367 V C -1.888 173.799 176.094 -0.678 0.000 1.036 367 V CA -1.010 60.910 62.300 -0.633 0.000 0.840 367 V CB 0.966 32.252 31.823 -0.895 0.000 1.036 367 V HN 0.740 nan 8.190 nan 0.000 0.466 368 P HA 0.174 nan 4.420 nan 0.000 0.220 368 P C -0.361 176.897 177.300 -0.070 0.000 1.793 368 P CA -0.287 62.651 63.100 -0.270 0.000 0.917 368 P CB -0.244 31.563 31.700 0.179 0.000 1.755 369 Y N -0.180 119.940 120.300 -0.300 0.000 3.007 369 Y HA 0.210 4.758 4.550 -0.003 0.000 0.390 369 Y C 0.581 176.389 175.900 -0.154 0.000 1.065 369 Y CA -2.101 55.912 58.100 -0.145 0.000 1.845 369 Y CB -1.892 36.498 38.460 -0.117 0.000 1.828 369 Y HN -0.019 nan 8.280 nan 0.000 0.458 370 F N 1.620 121.654 119.950 0.139 0.000 2.571 370 F HA -0.023 4.502 4.527 -0.003 0.000 0.390 370 F C 1.010 176.859 175.800 0.082 0.000 1.043 370 F CA 0.384 58.437 58.000 0.088 0.000 1.164 370 F CB 0.174 39.223 39.000 0.081 0.000 1.049 370 F HN 0.380 nan 8.300 nan 0.000 0.552 371 D N 1.708 122.229 120.400 0.202 0.000 2.907 371 D HA -0.152 4.486 4.640 -0.003 0.000 0.226 371 D C 0.715 177.066 176.300 0.085 0.000 1.141 371 D CA 1.028 55.105 54.000 0.128 0.000 0.779 371 D CB -1.255 39.622 40.800 0.129 0.000 1.095 371 D HN 1.115 nan 8.370 nan 0.000 0.430 372 G N -0.536 108.310 108.800 0.077 0.000 2.725 372 G HA2 -0.087 3.871 3.960 -0.003 0.000 0.220 372 G HA3 -0.087 3.871 3.960 -0.003 0.000 0.220 372 G C -0.819 174.053 174.900 -0.047 0.000 1.357 372 G CA -0.050 45.058 45.100 0.014 0.000 0.866 372 G HN 0.221 nan 8.290 nan 0.000 0.548 373 E N -0.947 119.145 120.200 -0.179 0.000 2.390 373 E HA 0.467 4.815 4.350 -0.003 0.000 0.277 373 E C 1.077 177.579 176.600 -0.164 0.000 0.939 373 E CA -0.959 55.303 56.400 -0.231 0.000 0.769 373 E CB 1.712 31.066 29.700 -0.578 0.000 1.251 373 E HN 0.422 nan 8.360 nan 0.000 0.450 374 R N 0.099 120.540 120.500 -0.098 0.000 2.080 374 R HA 0.122 4.460 4.340 -0.003 0.000 0.222 374 R C 0.215 176.468 176.300 -0.078 0.000 1.107 374 R CA 0.938 56.998 56.100 -0.067 0.000 0.980 374 R CB 0.159 30.445 30.300 -0.023 0.000 0.879 374 R HN 0.351 nan 8.270 nan 0.000 0.439 375 T N 3.335 117.839 114.554 -0.083 0.000 2.906 375 T HA 0.347 4.695 4.350 -0.003 0.000 0.302 375 T C -2.575 172.072 174.700 -0.088 0.000 1.002 375 T CA -1.456 60.608 62.100 -0.060 0.000 0.988 375 T CB 2.629 71.490 68.868 -0.012 0.000 0.972 375 T HN -0.020 nan 8.240 nan 0.000 0.447 376 P HA 0.188 nan 4.420 nan 0.000 0.274 376 P C -0.098 177.120 177.300 -0.137 0.000 1.260 376 P CA -0.721 62.331 63.100 -0.080 0.000 0.793 376 P CB 0.535 32.218 31.700 -0.028 0.000 1.048 377 N N 1.499 120.152 118.700 -0.077 0.000 2.739 377 N HA 0.035 4.773 4.740 -0.003 0.000 0.266 377 N C -0.603 174.858 175.510 -0.080 0.000 1.168 377 N CA 0.137 53.145 53.050 -0.071 0.000 1.055 377 N CB -0.794 37.674 38.487 -0.031 0.000 1.393 377 N HN 0.227 nan 8.380 nan 0.000 0.514 378 R N 3.470 123.892 120.500 -0.130 0.000 2.639 378 R HA 0.222 4.560 4.340 -0.003 0.000 0.273 378 R C -1.905 174.338 176.300 -0.094 0.000 1.732 378 R CA -1.299 54.735 56.100 -0.110 0.000 1.586 378 R CB 1.391 31.602 30.300 -0.148 0.000 1.263 378 R HN 0.277 nan 8.270 nan 0.000 0.615 379 P HA -0.123 nan 4.420 nan 0.000 0.215 379 P C -0.002 177.287 177.300 -0.019 0.000 1.153 379 P CA 1.351 64.428 63.100 -0.039 0.000 0.853 379 P CB 0.220 31.902 31.700 -0.030 0.000 0.788 380 N N -1.093 117.600 118.700 -0.011 0.000 2.276 380 N HA 0.278 5.016 4.740 -0.003 0.000 0.212 380 N C 0.224 175.742 175.510 0.013 0.000 1.127 380 N CA -0.316 52.736 53.050 0.003 0.000 0.834 380 N CB 0.095 38.584 38.487 0.003 0.000 1.014 380 N HN 0.093 nan 8.380 nan 0.000 0.491 381 A N 0.057 122.888 122.820 0.017 0.000 2.313 381 A HA 0.565 4.883 4.320 -0.003 0.000 0.261 381 A C 0.452 178.071 177.584 0.057 0.000 1.090 381 A CA 0.001 52.071 52.037 0.054 0.000 0.807 381 A CB 0.728 19.797 19.000 0.115 0.000 1.055 381 A HN 0.115 nan 8.150 nan 0.000 0.492 382 T N -1.055 113.520 114.554 0.036 0.000 2.901 382 T HA 0.614 4.962 4.350 -0.003 0.000 0.293 382 T C -0.165 174.446 174.700 -0.150 0.000 1.084 382 T CA 0.198 62.282 62.100 -0.027 0.000 1.008 382 T CB 1.232 70.082 68.868 -0.029 0.000 1.170 382 T HN 1.460 nan 8.240 nan 0.000 0.509 383 A N 1.753 124.365 122.820 -0.346 0.000 2.351 383 A HA 0.647 4.965 4.320 -0.003 0.000 0.257 383 A C -0.039 177.244 177.584 -0.503 0.000 1.087 383 A CA -0.133 51.507 52.037 -0.661 0.000 0.798 383 A CB 0.172 18.244 19.000 -1.546 0.000 1.033 383 A HN 0.771 nan 8.150 nan 0.000 0.488 384 T N 1.927 116.148 114.554 -0.555 0.000 3.011 384 T HA 0.466 4.814 4.350 -0.003 0.000 0.303 384 T C -1.156 173.295 174.700 -0.414 0.000 0.997 384 T CA -0.069 61.803 62.100 -0.380 0.000 1.007 384 T CB 0.279 68.969 68.868 -0.297 0.000 1.017 384 T HN 0.346 nan 8.240 nan 0.000 0.443 385 F N 3.328 123.159 119.950 -0.199 0.000 2.411 385 F HA 0.580 5.105 4.527 -0.003 0.000 0.350 385 F C 1.163 176.879 175.800 -0.139 0.000 1.114 385 F CA -0.348 57.545 58.000 -0.178 0.000 1.135 385 F CB 1.160 40.067 39.000 -0.155 0.000 1.120 385 F HN 0.587 nan 8.300 nan 0.000 0.495 386 S N 1.731 117.479 115.700 0.081 0.000 2.704 386 S HA 0.943 5.411 4.470 -0.003 0.000 0.296 386 S C -0.095 174.512 174.600 0.011 0.000 1.138 386 S CA -0.371 57.834 58.200 0.010 0.000 0.875 386 S CB 1.412 64.580 63.200 -0.053 0.000 1.151 386 S HN 1.508 nan 8.310 nan 0.000 0.500 390 L N 3.206 124.416 121.223 -0.022 0.000 1.989 390 L HA 0.121 4.459 4.340 -0.003 0.000 0.211 390 L C 2.601 179.459 176.870 -0.020 0.000 1.071 390 L CA 3.014 57.842 54.840 -0.021 0.000 0.749 390 L CB -0.992 41.058 42.059 -0.015 0.000 0.890 390 L HN 0.875 nan 8.230 nan 0.000 0.431 391 A N 0.287 123.097 122.820 -0.016 0.000 1.908 391 A HA -0.258 4.060 4.320 -0.003 0.000 0.218 391 A C 1.900 179.474 177.584 -0.017 0.000 1.181 391 A CA 2.020 54.048 52.037 -0.013 0.000 0.627 391 A CB -1.035 17.959 19.000 -0.009 0.000 0.818 391 A HN 0.764 nan 8.150 nan 0.000 0.445 392 N N -1.261 117.426 118.700 -0.022 0.000 2.353 392 N HA 0.011 4.749 4.740 -0.003 0.000 0.185 392 N C -0.190 175.294 175.510 -0.044 0.000 1.098 392 N CA 0.898 53.932 53.050 -0.026 0.000 0.872 392 N CB -0.867 37.607 38.487 -0.022 0.000 0.970 392 N HN 0.099 nan 8.380 nan 0.000 0.467 393 T N 1.633 116.157 114.554 -0.051 0.000 3.455 393 T HA 0.261 4.609 4.350 -0.003 0.000 0.286 393 T C -0.145 174.517 174.700 -0.064 0.000 1.157 393 T CA -0.125 61.929 62.100 -0.075 0.000 1.090 393 T CB -0.550 68.273 68.868 -0.075 0.000 1.112 393 T HN 0.493 nan 8.240 nan 0.000 0.779 394 T N -0.541 113.975 114.554 -0.063 0.000 2.883 394 T HA 0.490 4.838 4.350 -0.003 0.000 0.296 394 T C 1.066 175.743 174.700 -0.039 0.000 1.117 394 T CA -1.213 60.863 62.100 -0.040 0.000 1.006 394 T CB 1.880 70.734 68.868 -0.023 0.000 1.191 394 T HN 0.187 nan 8.240 nan 0.000 0.508 395 R N 0.232 120.720 120.500 -0.020 0.000 2.096 395 R HA -0.059 4.279 4.340 -0.003 0.000 0.235 395 R C 2.080 178.386 176.300 0.010 0.000 1.127 395 R CA 1.769 57.867 56.100 -0.004 0.000 0.968 395 R CB -0.316 29.984 30.300 -0.001 0.000 0.861 395 R HN 0.729 nan 8.270 nan 0.000 0.440 396 E N 0.325 120.529 120.200 0.007 0.000 2.038 396 E HA -0.168 4.180 4.350 -0.003 0.000 0.195 396 E C 1.577 178.188 176.600 0.019 0.000 1.000 396 E CA 1.649 58.058 56.400 0.016 0.000 0.803 396 E CB -0.176 29.535 29.700 0.019 0.000 0.750 396 E HN 0.390 nan 8.360 nan 0.000 0.448 397 N N -0.105 118.598 118.700 0.004 0.000 2.188 397 N HA -0.109 4.629 4.740 -0.003 0.000 0.184 397 N C 1.772 177.280 175.510 -0.005 0.000 1.018 397 N CA 0.614 53.664 53.050 0.000 0.000 0.858 397 N CB -0.059 38.416 38.487 -0.019 0.000 0.989 397 N HN 0.030 nan 8.380 nan 0.000 0.426 398 L N 0.923 122.123 121.223 -0.039 0.000 2.017 398 L HA -0.170 4.168 4.340 -0.003 0.000 0.208 398 L C 2.641 179.631 176.870 0.200 0.000 1.073 398 L CA 0.984 55.784 54.840 -0.067 0.000 0.745 398 L CB -0.613 41.367 42.059 -0.132 0.000 0.894 398 L HN 0.208 nan 8.230 nan 0.000 0.432 399 A N 0.301 123.242 122.820 0.203 0.000 1.873 399 A HA -0.320 3.998 4.320 -0.003 0.000 0.218 399 A C 2.328 180.028 177.584 0.193 0.000 1.193 399 A CA 2.353 54.526 52.037 0.226 0.000 0.629 399 A CB -0.623 18.417 19.000 0.066 0.000 0.826 399 A HN 0.325 nan 8.150 nan 0.000 0.447 400 R N 0.021 120.579 120.500 0.095 0.000 2.120 400 R HA -0.011 4.327 4.340 -0.003 0.000 0.234 400 R C 2.076 178.443 176.300 0.112 0.000 1.123 400 R CA 1.855 57.992 56.100 0.062 0.000 0.975 400 R CB -0.829 29.494 30.300 0.040 0.000 0.866 400 R HN 0.426 nan 8.270 nan 0.000 0.446 401 A N -0.751 122.152 122.820 0.138 0.000 1.969 401 A HA -0.049 4.269 4.320 -0.003 0.000 0.218 401 A C 1.961 179.647 177.584 0.171 0.000 1.169 401 A CA 1.102 53.231 52.037 0.153 0.000 0.635 401 A CB -0.655 18.459 19.000 0.191 0.000 0.810 401 A HN 0.354 nan 8.150 nan 0.000 0.445 402 F N -0.071 120.019 119.950 0.233 0.000 2.102 402 F HA -0.159 4.367 4.527 -0.003 0.000 0.298 402 F C 2.482 178.348 175.800 0.110 0.000 1.105 402 F CA 1.786 59.901 58.000 0.192 0.000 1.239 402 F CB -0.540 38.563 39.000 0.171 0.000 0.991 402 F HN 0.034 nan 8.300 nan 0.000 0.474 403 V N -0.254 119.815 119.914 0.258 0.000 2.307 403 V HA -0.249 3.869 4.120 -0.003 0.000 0.245 403 V C 2.084 178.237 176.094 0.099 0.000 1.045 403 V CA 1.939 64.318 62.300 0.131 0.000 1.024 403 V CB -0.639 31.204 31.823 0.034 0.000 0.651 403 V HN 0.317 nan 8.190 nan 0.000 0.449 404 E N 0.343 120.599 120.200 0.094 0.000 2.204 404 E HA -0.125 4.223 4.350 -0.003 0.000 0.194 404 E C 2.283 178.910 176.600 0.045 0.000 0.989 404 E CA 1.091 57.531 56.400 0.066 0.000 0.824 404 E CB -0.352 29.395 29.700 0.079 0.000 0.756 404 E HN 0.667 nan 8.360 nan 0.000 0.477 405 G N 1.696 110.550 108.800 0.091 0.000 2.394 405 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.214 405 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.214 405 G C 1.564 176.498 174.900 0.057 0.000 1.176 405 G CA 0.256 45.416 45.100 0.100 0.000 0.786 405 G HN 0.180 nan 8.290 nan 0.000 0.533 406 L N 0.051 121.338 121.223 0.106 0.000 1.990 406 L HA -0.083 4.255 4.340 -0.003 0.000 0.213 406 L C 2.664 179.546 176.870 0.021 0.000 1.072 406 L CA 1.191 56.090 54.840 0.098 0.000 0.755 406 L CB -0.179 41.952 42.059 0.120 0.000 0.889 406 L HN 0.069 nan 8.230 nan 0.000 0.432 407 L N -0.688 120.532 121.223 -0.004 0.000 2.093 407 L HA -0.245 4.093 4.340 -0.003 0.000 0.208 407 L C 2.739 179.532 176.870 -0.128 0.000 1.085 407 L CA 1.491 56.306 54.840 -0.041 0.000 0.755 407 L CB -1.663 40.387 42.059 -0.016 0.000 0.904 407 L HN 0.523 nan 8.230 nan 0.000 0.435 408 C N -0.990 118.168 119.300 -0.238 0.000 2.425 408 C HA -0.143 4.315 4.460 -0.003 0.000 0.277 408 C C 3.302 177.942 174.990 -0.583 0.000 1.280 408 C CA 1.221 59.944 59.018 -0.491 0.000 1.744 408 C CB -0.598 26.573 27.740 -0.948 0.000 1.989 408 C HN 0.594 nan 8.230 nan 0.000 0.491 409 S N -0.115 115.335 115.700 -0.417 0.000 2.356 409 S HA -0.198 4.270 4.470 -0.003 0.000 0.223 409 S C 1.988 176.587 174.600 -0.001 0.000 1.032 409 S CA 1.551 59.728 58.200 -0.038 0.000 1.005 409 S CB -0.259 63.033 63.200 0.154 0.000 0.867 409 S HN 0.595 nan 8.310 nan 0.000 0.449 410 Q N 0.842 120.619 119.800 -0.038 0.000 2.124 410 Q HA -0.071 4.267 4.340 -0.003 0.000 0.202 410 Q C 2.320 178.271 176.000 -0.081 0.000 0.977 410 Q CA 1.533 57.316 55.803 -0.033 0.000 0.850 410 Q CB -0.622 28.099 28.738 -0.028 0.000 0.901 410 Q HN 0.581 nan 8.270 nan 0.000 0.429 411 R N 1.423 121.828 120.500 -0.159 0.000 2.073 411 R HA -0.140 4.198 4.340 -0.003 0.000 0.234 411 R C 1.684 177.826 176.300 -0.264 0.000 1.134 411 R CA 1.853 57.778 56.100 -0.293 0.000 0.952 411 R CB -0.730 29.256 30.300 -0.523 0.000 0.850 411 R HN 0.100 nan 8.270 nan 0.000 0.433 412 D N -0.410 119.951 120.400 -0.065 0.000 2.133 412 D HA -0.181 4.457 4.640 -0.003 0.000 0.195 412 D C 1.645 177.999 176.300 0.090 0.000 0.997 412 D CA 1.612 55.725 54.000 0.188 0.000 0.840 412 D CB -0.401 40.630 40.800 0.384 0.000 0.947 412 D HN 0.340 nan 8.370 nan 0.000 0.452 413 C N -0.318 119.007 119.300 0.042 0.000 2.432 413 C HA -0.108 4.350 4.460 -0.003 0.000 0.277 413 C C 2.666 177.651 174.990 -0.008 0.000 1.249 413 C CA 0.081 59.112 59.018 0.022 0.000 1.725 413 C CB -1.021 26.727 27.740 0.013 0.000 2.028 413 C HN 0.358 nan 8.230 nan 0.000 0.477 414 L N 0.929 122.125 121.223 -0.046 0.000 2.042 414 L HA -0.121 4.217 4.340 -0.003 0.000 0.210 414 L C 2.562 179.406 176.870 -0.044 0.000 1.076 414 L CA 1.781 56.586 54.840 -0.058 0.000 0.749 414 L CB -1.056 40.947 42.059 -0.095 0.000 0.893 414 L HN 0.334 nan 8.230 nan 0.000 0.432 415 E N -0.860 119.312 120.200 -0.046 0.000 2.106 415 E HA -0.179 4.169 4.350 -0.003 0.000 0.192 415 E C 2.230 178.852 176.600 0.037 0.000 0.984 415 E CA 0.768 57.169 56.400 0.003 0.000 0.806 415 E CB -0.422 29.312 29.700 0.057 0.000 0.750 415 E HN 0.289 nan 8.360 nan 0.000 0.458 416 L N 1.001 122.251 121.223 0.045 0.000 2.027 416 L HA -0.088 4.250 4.340 -0.003 0.000 0.206 416 L C 2.196 179.078 176.870 0.020 0.000 1.074 416 L CA 1.321 56.187 54.840 0.043 0.000 0.745 416 L CB -0.460 41.627 42.059 0.048 0.000 0.898 416 L HN 0.027 nan 8.230 nan 0.000 0.433 417 I N -0.743 119.830 120.570 0.005 0.000 2.179 417 I HA -0.324 3.844 4.170 -0.003 0.000 0.242 417 I C 2.616 178.731 176.117 -0.004 0.000 1.088 417 I CA 1.261 62.557 61.300 -0.007 0.000 1.357 417 I CB -0.350 37.640 38.000 -0.017 0.000 1.051 417 I HN 0.249 nan 8.210 nan 0.000 0.409 418 R N 0.625 121.123 120.500 -0.004 0.000 2.117 418 R HA -0.191 4.147 4.340 -0.003 0.000 0.243 418 R C 2.479 178.785 176.300 0.010 0.000 1.143 418 R CA 1.908 58.008 56.100 -0.000 0.000 0.968 418 R CB -0.592 29.707 30.300 -0.003 0.000 0.863 418 R HN 0.487 nan 8.270 nan 0.000 0.444 419 S N 0.831 116.542 115.700 0.019 0.000 2.447 419 S HA -0.038 4.430 4.470 -0.003 0.000 0.233 419 S C 1.768 176.383 174.600 0.025 0.000 1.006 419 S CA 0.741 58.957 58.200 0.026 0.000 0.957 419 S CB -0.202 63.020 63.200 0.037 0.000 0.773 419 S HN 0.274 nan 8.310 nan 0.000 0.507 420 L N 0.905 122.138 121.223 0.017 0.000 2.627 420 L HA 0.323 4.661 4.340 -0.003 0.000 0.233 420 L C 1.884 178.760 176.870 0.011 0.000 1.144 420 L CA 0.342 55.193 54.840 0.017 0.000 0.892 420 L CB -0.839 41.219 42.059 -0.001 0.000 1.039 420 L HN 0.606 nan 8.230 nan 0.000 0.442 421 G N 0.093 108.898 108.800 0.009 0.000 2.175 421 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.244 421 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.244 421 G C 0.314 175.213 174.900 -0.002 0.000 0.982 421 G CA -0.057 45.047 45.100 0.006 0.000 0.641 421 G HN 0.474 nan 8.290 nan 0.000 0.527 422 A N 0.857 123.673 122.820 -0.007 0.000 2.316 422 A HA 0.760 5.078 4.320 -0.003 0.000 0.311 422 A C 0.782 178.360 177.584 -0.010 0.000 1.339 422 A CA 0.634 52.666 52.037 -0.008 0.000 0.960 422 A CB 0.432 19.427 19.000 -0.009 0.000 1.152 422 A HN 0.976 nan 8.150 nan 0.000 0.547 423 S N 1.528 117.221 115.700 -0.012 0.000 2.558 423 S HA 0.263 4.731 4.470 -0.003 0.000 0.288 423 S C 0.051 174.638 174.600 -0.022 0.000 1.318 423 S CA 0.445 58.636 58.200 -0.016 0.000 1.056 423 S CB 0.085 63.275 63.200 -0.017 0.000 0.853 423 S HN 0.555 nan 8.310 nan 0.000 0.505 424 I N 2.493 123.048 120.570 -0.025 0.000 2.439 424 I HA 0.223 4.391 4.170 -0.003 0.000 0.285 424 I C 0.791 176.889 176.117 -0.032 0.000 1.021 424 I CA -0.301 60.980 61.300 -0.031 0.000 1.091 424 I CB 1.893 39.872 38.000 -0.034 0.000 1.242 424 I HN 0.791 nan 8.210 nan 0.000 0.439 425 T N 1.727 116.261 114.554 -0.034 0.000 3.043 425 T HA 0.314 4.662 4.350 -0.003 0.000 0.272 425 T C 0.449 175.129 174.700 -0.034 0.000 0.990 425 T CA -0.279 61.802 62.100 -0.032 0.000 0.897 425 T CB 0.377 69.227 68.868 -0.030 0.000 1.111 425 T HN 0.544 nan 8.240 nan 0.000 0.529 426 R N 0.416 120.894 120.500 -0.038 0.000 2.604 426 R HA 0.653 4.991 4.340 -0.003 0.000 0.270 426 R C -2.065 174.210 176.300 -0.042 0.000 1.052 426 R CA -0.801 55.276 56.100 -0.039 0.000 0.902 426 R CB 1.528 31.803 30.300 -0.041 0.000 1.233 426 R HN 0.253 nan 8.270 nan 0.000 0.455 427 I N 4.896 125.441 120.570 -0.041 0.000 2.406 427 I HA 0.341 4.509 4.170 -0.003 0.000 0.290 427 I C -0.961 175.129 176.117 -0.044 0.000 0.999 427 I CA -1.084 60.190 61.300 -0.042 0.000 1.124 427 I CB 1.739 39.716 38.000 -0.039 0.000 1.289 427 I HN 0.334 nan 8.210 nan 0.000 0.441 428 L N 6.728 127.919 121.223 -0.052 0.000 2.317 428 L HA 0.514 4.852 4.340 -0.003 0.000 0.281 428 L C -0.644 176.198 176.870 -0.047 0.000 1.024 428 L CA -0.473 54.331 54.840 -0.060 0.000 0.810 428 L CB 1.606 43.609 42.059 -0.095 0.000 1.240 428 L HN 0.404 nan 8.230 nan 0.000 0.427 429 L N 5.482 126.685 121.223 -0.033 0.000 2.319 429 L HA 0.745 5.083 4.340 -0.003 0.000 0.281 429 L C -0.491 176.381 176.870 0.004 0.000 1.005 429 L CA -0.082 54.750 54.840 -0.012 0.000 0.828 429 L CB 0.783 42.840 42.059 -0.002 0.000 1.227 429 L HN 0.579 nan 8.230 nan 0.000 0.415 430 I N 1.648 122.230 120.570 0.020 0.000 3.457 430 I HA 1.055 5.223 4.170 -0.003 0.000 0.307 430 I C 0.493 176.655 176.117 0.075 0.000 1.138 430 I CA -0.690 60.654 61.300 0.074 0.000 0.974 430 I CB 1.616 39.685 38.000 0.115 0.000 1.324 430 I HN 0.862 nan 8.210 nan 0.000 0.485 431 G N 0.188 109.049 108.800 0.102 0.000 2.796 431 G HA2 -0.061 3.897 3.960 -0.003 0.000 0.571 431 G HA3 -0.061 3.897 3.960 -0.003 0.000 0.571 431 G C 0.485 175.405 174.900 0.034 0.000 1.370 431 G CA -0.146 44.991 45.100 0.062 0.000 0.856 431 G HN 1.474 nan 8.290 nan 0.000 0.538 432 G N -0.223 108.587 108.800 0.017 0.000 2.469 432 G HA2 0.155 4.113 3.960 -0.003 0.000 0.219 432 G HA3 0.155 4.113 3.960 -0.003 0.000 0.219 432 G C 2.030 176.922 174.900 -0.013 0.000 1.150 432 G CA 2.057 47.153 45.100 -0.007 0.000 0.763 432 G HN 2.041 nan 8.290 nan 0.000 0.561 433 G N 0.852 109.654 108.800 0.003 0.000 2.479 433 G HA2 0.053 4.011 3.960 -0.003 0.000 0.220 433 G HA3 0.053 4.011 3.960 -0.003 0.000 0.220 433 G C 1.869 176.775 174.900 0.010 0.000 1.115 433 G CA 1.346 46.450 45.100 0.007 0.000 0.757 433 G HN 0.685 nan 8.290 nan 0.000 0.560 434 A N 1.158 123.987 122.820 0.015 0.000 2.067 434 A HA 0.034 4.352 4.320 -0.003 0.000 0.219 434 A C 2.216 179.808 177.584 0.013 0.000 1.158 434 A CA 1.778 53.827 52.037 0.019 0.000 0.661 434 A CB -0.191 18.827 19.000 0.029 0.000 0.801 434 A HN 0.459 nan 8.150 nan 0.000 0.452 435 K N 0.119 120.518 120.400 -0.002 0.000 2.444 435 K HA 0.060 4.378 4.320 -0.003 0.000 0.193 435 K C 0.418 177.013 176.600 -0.009 0.000 1.024 435 K CA 0.701 56.983 56.287 -0.009 0.000 1.077 435 K CB -0.319 32.166 32.500 -0.025 0.000 0.833 435 K HN 0.206 nan 8.250 nan 0.000 0.517 436 S N 1.970 117.667 115.700 -0.005 0.000 2.465 436 S HA 0.004 4.473 4.470 -0.003 0.000 0.280 436 S C 0.964 175.600 174.600 0.060 0.000 1.232 436 S CA -0.356 57.851 58.200 0.011 0.000 1.066 436 S CB 0.894 64.102 63.200 0.012 0.000 0.929 436 S HN 0.431 nan 8.310 nan 0.000 0.494 437 E N 4.316 124.568 120.200 0.087 0.000 2.118 437 E HA -0.174 4.174 4.350 -0.003 0.000 0.195 437 E C 1.917 178.663 176.600 0.244 0.000 0.992 437 E CA 1.328 57.811 56.400 0.138 0.000 0.804 437 E CB -0.220 29.570 29.700 0.150 0.000 0.741 437 E HN 0.876 nan 8.360 nan 0.000 0.458 438 A N 0.848 123.818 122.820 0.250 0.000 1.897 438 A HA -0.105 4.213 4.320 -0.003 0.000 0.215 438 A C 2.125 179.807 177.584 0.162 0.000 1.181 438 A CA 0.966 53.152 52.037 0.249 0.000 0.620 438 A CB -0.463 18.497 19.000 -0.067 0.000 0.821 438 A HN 0.268 nan 8.150 nan 0.000 0.443 439 I N -0.968 119.663 120.570 0.102 0.000 2.142 439 I HA -0.253 3.915 4.170 -0.003 0.000 0.240 439 I C 2.705 178.871 176.117 0.082 0.000 1.078 439 I CA 1.689 63.035 61.300 0.077 0.000 1.343 439 I CB -0.337 37.697 38.000 0.057 0.000 1.046 439 I HN 0.356 nan 8.210 nan 0.000 0.405 440 R N 0.394 120.943 120.500 0.080 0.000 2.117 440 R HA -0.202 4.136 4.340 -0.003 0.000 0.243 440 R C 2.162 178.508 176.300 0.078 0.000 1.143 440 R CA 2.269 58.408 56.100 0.065 0.000 0.968 440 R CB -0.276 30.057 30.300 0.056 0.000 0.863 440 R HN 0.312 nan 8.270 nan 0.000 0.444 441 T N 0.598 115.231 114.554 0.130 0.000 2.896 441 T HA 0.022 4.370 4.350 -0.003 0.000 0.263 441 T C 1.592 176.371 174.700 0.133 0.000 1.050 441 T CA 0.877 63.054 62.100 0.127 0.000 1.140 441 T CB 0.083 69.058 68.868 0.179 0.000 0.877 441 T HN 0.184 nan 8.240 nan 0.000 0.457 442 L N 0.550 121.871 121.223 0.163 0.000 2.529 442 L HA 0.278 4.616 4.340 -0.003 0.000 0.223 442 L C 2.804 179.716 176.870 0.070 0.000 1.113 442 L CA 0.085 55.002 54.840 0.128 0.000 0.861 442 L CB -0.465 41.677 42.059 0.139 0.000 1.012 442 L HN 0.200 nan 8.230 nan 0.000 0.461 443 A N 1.506 124.359 122.820 0.055 0.000 1.873 443 A HA -0.146 4.172 4.320 -0.003 0.000 0.218 443 A C -0.154 177.436 177.584 0.009 0.000 1.193 443 A CA 1.783 53.834 52.037 0.024 0.000 0.629 443 A CB -1.725 17.287 19.000 0.019 0.000 0.826 443 A HN 0.250 nan 8.150 nan 0.000 0.447 444 P HA -0.149 nan 4.420 nan 0.000 0.215 444 P C 1.973 179.275 177.300 0.004 0.000 1.153 444 P CA 1.850 64.951 63.100 0.003 0.000 0.853 444 P CB -0.191 31.512 31.700 0.006 0.000 0.788 445 S N -0.313 115.399 115.700 0.019 0.000 2.359 445 S HA -0.217 4.251 4.470 -0.003 0.000 0.222 445 S C 1.850 176.461 174.600 0.018 0.000 1.038 445 S CA 2.073 60.288 58.200 0.025 0.000 1.051 445 S CB -1.021 62.206 63.200 0.045 0.000 0.944 445 S HN 0.123 nan 8.310 nan 0.000 0.433 446 I N -0.120 120.458 120.570 0.014 0.000 2.703 446 I HA 0.237 4.405 4.170 -0.003 0.000 0.259 446 I C 1.863 177.947 176.117 -0.054 0.000 1.151 446 I CA 0.979 62.280 61.300 0.002 0.000 1.470 446 I CB -0.334 37.675 38.000 0.015 0.000 1.112 446 I HN 0.312 nan 8.210 nan 0.000 0.437 447 L N 1.424 122.611 121.223 -0.060 0.000 2.201 447 L HA 0.245 4.583 4.340 -0.003 0.000 0.212 447 L C 1.407 178.222 176.870 -0.092 0.000 1.105 447 L CA 0.668 55.450 54.840 -0.097 0.000 0.775 447 L CB -1.400 40.618 42.059 -0.070 0.000 0.913 447 L HN 0.650 nan 8.230 nan 0.000 0.440 451 V N 1.635 121.541 119.914 -0.014 0.000 2.349 451 V HA 0.444 4.562 4.120 -0.003 0.000 0.284 451 V C 0.109 176.194 176.094 -0.015 0.000 1.014 451 V CA -0.495 61.795 62.300 -0.016 0.000 0.826 451 V CB 1.661 33.478 31.823 -0.010 0.000 1.009 451 V HN 0.555 nan 8.190 nan 0.000 0.431 452 T N 5.584 120.125 114.554 -0.022 0.000 2.832 452 T HA 0.358 4.706 4.350 -0.003 0.000 0.296 452 T C 0.282 174.969 174.700 -0.021 0.000 0.968 452 T CA -0.202 61.885 62.100 -0.023 0.000 1.107 452 T CB 0.395 69.244 68.868 -0.032 0.000 0.916 452 T HN 0.499 nan 8.240 nan 0.000 0.517 453 R N 4.066 124.559 120.500 -0.012 0.000 2.287 453 R HA 0.278 4.616 4.340 -0.003 0.000 0.316 453 R C -2.707 173.596 176.300 0.004 0.000 1.050 453 R CA -1.915 54.184 56.100 -0.001 0.000 0.983 453 R CB 1.013 31.318 30.300 0.009 0.000 1.140 453 R HN 0.381 nan 8.270 nan 0.000 0.528 454 P HA -0.021 nan 4.420 nan 0.000 0.268 454 P C -0.416 176.935 177.300 0.085 0.000 1.205 454 P CA -0.059 63.046 63.100 0.008 0.000 0.771 454 P CB 0.798 32.444 31.700 -0.089 0.000 0.858 455 A N 2.862 125.736 122.820 0.090 0.000 2.540 455 A HA 0.167 4.485 4.320 -0.003 0.000 0.239 455 A C 0.792 178.478 177.584 0.169 0.000 1.061 455 A CA 0.351 52.444 52.037 0.093 0.000 0.758 455 A CB -0.647 18.386 19.000 0.054 0.000 0.991 455 A HN 0.534 nan 8.150 nan 0.000 0.502 456 T N 1.342 115.950 114.554 0.090 0.000 2.908 456 T HA 0.352 4.700 4.350 -0.003 0.000 0.301 456 T C -0.320 174.306 174.700 -0.124 0.000 1.019 456 T CA 0.646 62.751 62.100 0.009 0.000 1.152 456 T CB -0.248 68.597 68.868 -0.038 0.000 0.966 456 T HN 0.810 nan 8.240 nan 0.000 0.540 457 D N 1.824 121.964 120.400 -0.433 0.000 2.725 457 D HA 0.152 4.790 4.640 -0.003 0.000 0.292 457 D C -1.138 174.757 176.300 -0.676 0.000 1.288 457 D CA -0.542 53.212 54.000 -0.410 0.000 0.784 457 D CB 1.288 42.019 40.800 -0.115 0.000 1.308 457 D HN 0.457 nan 8.370 nan 0.000 0.429 458 E N 1.998 122.000 120.200 -0.331 0.000 1.972 458 E HA 0.072 4.420 4.350 -0.003 0.000 0.292 458 E C 0.458 177.018 176.600 -0.067 0.000 1.193 458 E CA 0.002 56.284 56.400 -0.196 0.000 1.228 458 E CB -0.361 29.327 29.700 -0.019 0.000 1.167 458 E HN 0.353 nan 8.360 nan 0.000 0.479 459 Y N -0.065 120.256 120.300 0.036 0.000 2.224 459 Y HA -0.212 4.336 4.550 -0.003 0.000 0.289 459 Y C 2.198 178.126 175.900 0.047 0.000 1.146 459 Y CA 0.377 58.501 58.100 0.039 0.000 1.182 459 Y CB -0.815 37.657 38.460 0.020 0.000 0.983 459 Y HN 0.141 nan 8.280 nan 0.000 0.524 460 V N -0.063 119.946 119.914 0.159 0.000 2.307 460 V HA -0.282 3.836 4.120 -0.003 0.000 0.245 460 V C 2.581 178.738 176.094 0.105 0.000 1.045 460 V CA 1.719 64.080 62.300 0.102 0.000 1.024 460 V CB -1.362 30.492 31.823 0.052 0.000 0.651 460 V HN 0.440 nan 8.190 nan 0.000 0.449 461 A N -0.177 122.714 122.820 0.117 0.000 1.933 461 A HA -0.170 4.148 4.320 -0.003 0.000 0.218 461 A C 2.182 179.873 177.584 0.178 0.000 1.175 461 A CA 1.880 54.002 52.037 0.143 0.000 0.628 461 A CB -0.545 18.565 19.000 0.184 0.000 0.814 461 A HN 0.513 nan 8.150 nan 0.000 0.444 462 I N -0.502 120.186 120.570 0.196 0.000 2.252 462 I HA -0.187 3.981 4.170 -0.003 0.000 0.245 462 I C 2.726 179.008 176.117 0.274 0.000 1.102 462 I CA 1.136 62.595 61.300 0.266 0.000 1.385 462 I CB -0.776 37.384 38.000 0.267 0.000 1.064 462 I HN 0.408 nan 8.210 nan 0.000 0.414 463 G N 0.654 109.562 108.800 0.181 0.000 2.440 463 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.218 463 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.218 463 G C 1.857 176.813 174.900 0.092 0.000 1.154 463 G CA 0.877 46.041 45.100 0.107 0.000 0.767 463 G HN 0.493 nan 8.290 nan 0.000 0.552 464 A N 1.055 123.938 122.820 0.104 0.000 1.930 464 A HA 0.328 4.646 4.320 -0.003 0.000 0.217 464 A C 2.795 180.462 177.584 0.139 0.000 1.175 464 A CA 2.112 54.204 52.037 0.092 0.000 0.627 464 A CB -0.689 18.357 19.000 0.078 0.000 0.815 464 A HN 0.756 nan 8.150 nan 0.000 0.443 465 A N -0.428 122.519 122.820 0.212 0.000 1.930 465 A HA -0.134 4.184 4.320 -0.003 0.000 0.217 465 A C 2.233 180.007 177.584 0.317 0.000 1.175 465 A CA 1.594 53.816 52.037 0.310 0.000 0.627 465 A CB -0.463 18.776 19.000 0.398 0.000 0.815 465 A HN 0.529 nan 8.150 nan 0.000 0.443 466 R N -0.607 119.964 120.500 0.118 0.000 2.096 466 R HA -0.166 4.172 4.340 -0.003 0.000 0.235 466 R C 2.410 178.622 176.300 -0.146 0.000 1.127 466 R CA 1.680 57.501 56.100 -0.465 0.000 0.968 466 R CB -0.227 29.734 30.300 -0.565 0.000 0.861 466 R HN 0.745 nan 8.270 nan 0.000 0.440 467 Q N -0.404 119.423 119.800 0.044 0.000 2.123 467 Q HA -0.097 4.242 4.340 -0.003 0.000 0.199 467 Q C 1.836 177.914 176.000 0.130 0.000 0.966 467 Q CA 1.334 57.235 55.803 0.162 0.000 0.845 467 Q CB -0.012 28.796 28.738 0.117 0.000 0.907 467 Q HN 0.419 nan 8.270 nan 0.000 0.439 468 A N 0.899 123.786 122.820 0.111 0.000 1.902 468 A HA -0.090 4.228 4.320 -0.003 0.000 0.217 468 A C 2.272 179.931 177.584 0.125 0.000 1.181 468 A CA 1.627 53.728 52.037 0.105 0.000 0.623 468 A CB -0.860 18.215 19.000 0.124 0.000 0.818 468 A HN 0.531 nan 8.150 nan 0.000 0.443 469 A N -1.554 121.362 122.820 0.161 0.000 1.933 469 A HA -0.151 4.167 4.320 -0.003 0.000 0.218 469 A C 1.957 179.640 177.584 0.165 0.000 1.175 469 A CA 1.587 53.731 52.037 0.178 0.000 0.628 469 A CB -0.797 18.370 19.000 0.279 0.000 0.814 469 A HN 0.817 nan 8.150 nan 0.000 0.444 470 W N 1.002 122.240 121.300 -0.103 0.000 2.333 470 W HA -0.179 4.478 4.660 -0.004 0.000 0.316 470 W C 2.111 178.594 176.519 -0.059 0.000 1.215 470 W CA 1.961 59.243 57.345 -0.106 0.000 1.278 470 W CB -0.944 28.432 29.460 -0.139 0.000 1.154 470 W HN 0.142 nan 8.180 nan 0.000 0.486 471 V N 1.116 121.053 119.914 0.038 0.000 2.295 471 V HA -0.298 3.820 4.120 -0.003 0.000 0.246 471 V C 2.365 178.448 176.094 -0.018 0.000 1.049 471 V CA 1.943 64.180 62.300 -0.104 0.000 1.024 471 V CB -1.486 30.266 31.823 -0.119 0.000 0.648 471 V HN 0.212 nan 8.190 nan 0.000 0.447 472 L N 1.215 122.460 121.223 0.037 0.000 2.079 472 L HA -0.167 4.171 4.340 -0.003 0.000 0.210 472 L C 2.621 179.525 176.870 0.057 0.000 1.081 472 L CA 2.572 57.440 54.840 0.046 0.000 0.752 472 L CB -0.756 41.347 42.059 0.073 0.000 0.896 472 L HN 0.523 nan 8.230 nan 0.000 0.433 473 S N -1.134 114.621 115.700 0.091 0.000 2.436 473 S HA 0.114 4.582 4.470 -0.003 0.000 0.228 473 S C 1.792 176.439 174.600 0.077 0.000 1.014 473 S CA 0.604 58.860 58.200 0.095 0.000 0.950 473 S CB -0.627 62.649 63.200 0.125 0.000 0.784 473 S HN 0.868 nan 8.310 nan 0.000 0.504 474 G N 0.809 109.650 108.800 0.069 0.000 2.168 474 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.263 474 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.263 474 G C -0.152 174.791 174.900 0.072 0.000 0.977 474 G CA 0.507 45.628 45.100 0.035 0.000 0.659 474 G HN 0.651 nan 8.290 nan 0.000 0.533 475 E N -0.373 119.910 120.200 0.139 0.000 2.349 475 E HA 0.493 4.841 4.350 -0.003 0.000 0.262 475 E C 1.432 178.187 176.600 0.259 0.000 1.088 475 E CA 0.144 56.635 56.400 0.152 0.000 0.899 475 E CB 0.607 30.376 29.700 0.116 0.000 1.044 475 E HN 0.104 nan 8.360 nan 0.000 0.420 476 T N 0.992 115.662 114.554 0.193 0.000 2.857 476 T HA -0.065 4.283 4.350 -0.003 0.000 0.266 476 T C 0.218 175.129 174.700 0.351 0.000 1.048 476 T CA 0.984 63.227 62.100 0.239 0.000 1.139 476 T CB 0.109 69.053 68.868 0.126 0.000 0.874 476 T HN 0.276 nan 8.240 nan 0.000 0.455 477 E N 1.526 121.800 120.200 0.124 0.000 2.214 477 E HA 0.339 4.687 4.350 -0.003 0.000 0.274 477 E C -2.571 173.659 176.600 -0.617 0.000 0.977 477 E CA -2.854 53.443 56.400 -0.172 0.000 0.827 477 E CB 0.834 30.436 29.700 -0.163 0.000 1.130 477 E HN 0.115 nan 8.360 nan 0.000 0.394 478 P HA 0.158 nan 4.420 nan 0.000 0.272 478 P C -2.485 174.357 177.300 -0.764 0.000 1.230 478 P CA -1.332 60.800 63.100 -1.614 0.000 0.788 478 P CB -0.640 30.133 31.700 -1.545 0.000 0.949 479 P HA -0.012 nan 4.420 nan 0.000 0.260 479 P C -0.184 176.808 177.300 -0.514 0.000 1.172 479 P CA 0.603 63.370 63.100 -0.555 0.000 0.760 479 P CB -0.130 30.989 31.700 -0.969 0.000 0.773 480 A N 4.954 127.651 122.820 -0.204 0.000 3.026 480 A HA 0.133 4.451 4.320 -0.003 0.000 0.272 480 A C -0.288 177.372 177.584 0.126 0.000 1.782 480 A CA -0.483 51.507 52.037 -0.079 0.000 1.451 480 A CB -0.916 18.060 19.000 -0.040 0.000 1.081 480 A HN 0.408 nan 8.150 nan 0.000 0.611 481 W N 0.441 121.707 121.300 -0.057 0.000 2.202 481 W HA 0.252 4.911 4.660 -0.002 0.000 0.332 481 W C 0.642 177.142 176.519 -0.031 0.000 1.263 481 W CA -1.027 56.298 57.345 -0.034 0.000 1.223 481 W CB 0.306 29.752 29.460 -0.022 0.000 1.128 481 W HN 0.466 nan 8.180 nan 0.000 0.573 482 Q N 2.046 121.956 119.800 0.182 0.000 2.330 482 Q HA 0.161 4.499 4.340 -0.003 0.000 0.279 482 Q C -0.520 175.534 176.000 0.090 0.000 1.024 482 Q CA 0.256 56.111 55.803 0.088 0.000 0.900 482 Q CB 0.547 29.306 28.738 0.034 0.000 1.221 482 Q HN 0.382 nan 8.270 nan 0.000 0.396 483 L N 1.995 123.254 121.223 0.060 0.000 2.322 483 L HA 0.389 4.727 4.340 -0.003 0.000 0.281 483 L C 0.260 177.148 176.870 0.031 0.000 1.014 483 L CA -0.623 54.247 54.840 0.051 0.000 0.815 483 L CB 1.772 43.848 42.059 0.028 0.000 1.247 483 L HN 0.390 nan 8.230 nan 0.000 0.421 484 T N 4.140 118.717 114.554 0.037 0.000 2.771 484 T HA 0.493 4.841 4.350 -0.003 0.000 0.291 484 T C -0.052 174.663 174.700 0.026 0.000 0.954 484 T CA -0.231 61.884 62.100 0.026 0.000 1.045 484 T CB 0.722 69.604 68.868 0.023 0.000 0.917 484 T HN 0.167 nan 8.240 nan 0.000 0.484 485 I N 3.271 123.848 120.570 0.012 0.000 2.378 485 I HA 0.268 4.436 4.170 -0.003 0.000 0.291 485 I C 0.900 177.021 176.117 0.008 0.000 0.992 485 I CA -0.698 60.606 61.300 0.007 0.000 1.154 485 I CB 1.681 39.679 38.000 -0.003 0.000 1.315 485 I HN 0.582 nan 8.210 nan 0.000 0.448 486 D N 4.293 124.700 120.400 0.012 0.000 2.149 486 D HA 0.107 4.745 4.640 -0.003 0.000 0.201 486 D C 0.967 177.268 176.300 0.003 0.000 0.972 486 D CA 1.057 55.062 54.000 0.008 0.000 0.835 486 D CB 0.718 41.527 40.800 0.014 0.000 0.966 486 D HN 0.797 nan 8.370 nan 0.000 0.476 487 G N -1.477 107.324 108.800 0.001 0.000 2.368 487 G HA2 0.391 4.349 3.960 -0.003 0.000 0.293 487 G HA3 0.391 4.349 3.960 -0.003 0.000 0.293 487 G C -1.893 173.005 174.900 -0.004 0.000 1.467 487 G CA -0.625 44.473 45.100 -0.002 0.000 0.804 487 G HN -0.069 nan 8.290 nan 0.000 0.535 488 V N 1.209 121.119 119.914 -0.006 0.000 2.444 488 V HA 0.487 4.605 4.120 -0.003 0.000 0.294 488 V C -0.714 175.377 176.094 -0.006 0.000 1.022 488 V CA -0.983 61.312 62.300 -0.008 0.000 0.850 488 V CB 1.608 33.424 31.823 -0.010 0.000 0.992 488 V HN 0.672 nan 8.190 nan 0.000 0.426 489 E N 3.250 123.448 120.200 -0.003 0.000 2.200 489 E HA 0.464 4.812 4.350 -0.003 0.000 0.283 489 E C 0.113 176.712 176.600 -0.002 0.000 1.015 489 E CA -0.183 56.217 56.400 -0.000 0.000 0.819 489 E CB 1.858 31.562 29.700 0.007 0.000 1.081 489 E HN 0.826 nan 8.360 nan 0.000 0.397 490 T N -0.695 113.858 114.554 -0.002 0.000 2.908 490 T HA 0.831 5.179 4.350 -0.003 0.000 0.290 490 T C 0.110 174.810 174.700 0.001 0.000 1.034 490 T CA -0.957 61.142 62.100 -0.003 0.000 1.010 490 T CB 2.152 71.017 68.868 -0.005 0.000 1.068 490 T HN 0.452 nan 8.240 nan 0.000 0.481 491 G N 1.090 109.892 108.800 0.003 0.000 2.691 491 G HA2 0.472 4.430 3.960 -0.003 0.000 0.298 491 G HA3 0.472 4.430 3.960 -0.003 0.000 0.298 491 G C -1.206 173.699 174.900 0.009 0.000 1.471 491 G CA -0.855 44.249 45.100 0.008 0.000 0.912 491 G HN 0.656 nan 8.290 nan 0.000 0.553 492 E N 1.406 121.613 120.200 0.011 0.000 2.465 492 E HA 0.143 4.491 4.350 -0.003 0.000 0.260 492 E C -2.021 174.590 176.600 0.017 0.000 0.980 492 E CA -0.949 55.458 56.400 0.012 0.000 0.927 492 E CB 0.786 30.494 29.700 0.014 0.000 0.934 492 E HN 0.145 nan 8.360 nan 0.000 0.459 493 P HA 0.005 nan 4.420 nan 0.000 0.268 493 P C -0.433 176.885 177.300 0.029 0.000 1.204 493 P CA 0.192 63.303 63.100 0.019 0.000 0.768 493 P CB 0.383 32.091 31.700 0.014 0.000 0.842 494 T N -1.029 113.547 114.554 0.038 0.000 3.060 494 T HA 0.271 4.619 4.350 -0.003 0.000 0.367 494 T C 0.739 175.479 174.700 0.066 0.000 1.229 494 T CA -0.509 61.620 62.100 0.048 0.000 1.104 494 T CB 0.745 69.644 68.868 0.051 0.000 1.083 494 T HN 0.108 nan 8.240 nan 0.000 0.524 495 E N 3.130 123.370 120.200 0.068 0.000 2.150 495 E HA 0.071 4.419 4.350 -0.003 0.000 0.193 495 E C 2.155 178.822 176.600 0.111 0.000 0.985 495 E CA 1.396 57.855 56.400 0.098 0.000 0.814 495 E CB -0.543 29.206 29.700 0.082 0.000 0.752 495 E HN 0.838 nan 8.360 nan 0.000 0.466 496 A N -0.071 122.795 122.820 0.076 0.000 2.019 496 A HA -0.129 4.189 4.320 -0.003 0.000 0.219 496 A C 2.375 180.001 177.584 0.071 0.000 1.164 496 A CA 1.433 53.507 52.037 0.061 0.000 0.644 496 A CB -0.590 18.436 19.000 0.044 0.000 0.805 496 A HN 0.182 nan 8.150 nan 0.000 0.449 497 V N -1.414 118.555 119.914 0.092 0.000 2.233 497 V HA -0.300 3.818 4.120 -0.003 0.000 0.247 497 V C 2.355 178.539 176.094 0.150 0.000 1.050 497 V CA 2.229 64.592 62.300 0.106 0.000 1.010 497 V CB -1.101 30.781 31.823 0.099 0.000 0.637 497 V HN 0.730 nan 8.190 nan 0.000 0.444 498 Y N 1.116 121.443 120.300 0.046 0.000 2.274 498 Y HA -0.190 4.358 4.550 -0.003 0.000 0.290 498 Y C 2.472 178.441 175.900 0.115 0.000 1.145 498 Y CA 1.848 59.987 58.100 0.065 0.000 1.203 498 Y CB -0.265 38.205 38.460 0.016 0.000 0.984 498 Y HN 0.402 nan 8.280 nan 0.000 0.533 499 E N -0.111 120.071 120.200 -0.030 0.000 2.110 499 E HA -0.205 4.143 4.350 -0.003 0.000 0.193 499 E C 2.362 178.893 176.600 -0.114 0.000 0.988 499 E CA 1.011 57.342 56.400 -0.115 0.000 0.804 499 E CB -0.288 29.407 29.700 -0.008 0.000 0.745 499 E HN 0.574 nan 8.360 nan 0.000 0.458 500 A N 0.718 123.515 122.820 -0.039 0.000 1.898 500 A HA -0.205 4.113 4.320 -0.003 0.000 0.216 500 A C 2.019 179.574 177.584 -0.049 0.000 1.181 500 A CA 1.262 53.281 52.037 -0.031 0.000 0.620 500 A CB -0.751 18.255 19.000 0.010 0.000 0.819 500 A HN 0.406 nan 8.150 nan 0.000 0.442 501 Y N 0.687 120.896 120.300 -0.152 0.000 2.145 501 Y HA -0.128 4.421 4.550 -0.003 0.000 0.286 501 Y C 2.625 178.387 175.900 -0.229 0.000 1.145 501 Y CA 1.461 59.466 58.100 -0.158 0.000 1.148 501 Y CB -0.436 37.974 38.460 -0.084 0.000 0.981 501 Y HN 0.311 nan 8.280 nan 0.000 0.507 502 A N 0.463 123.141 122.820 -0.237 0.000 1.902 502 A HA -0.199 4.119 4.320 -0.003 0.000 0.217 502 A C 2.220 179.671 177.584 -0.222 0.000 1.181 502 A CA 1.948 53.813 52.037 -0.288 0.000 0.623 502 A CB -0.609 18.132 19.000 -0.432 0.000 0.818 502 A HN 0.526 nan 8.150 nan 0.000 0.443 503 K N -0.369 119.920 120.400 -0.186 0.000 2.020 503 K HA -0.164 4.154 4.320 -0.003 0.000 0.212 503 K C 2.378 178.875 176.600 -0.172 0.000 1.050 503 K CA 1.371 57.573 56.287 -0.141 0.000 0.929 503 K CB -0.425 32.012 32.500 -0.105 0.000 0.714 503 K HN 0.443 nan 8.250 nan 0.000 0.443 504 A N 2.041 124.727 122.820 -0.222 0.000 1.883 504 A HA -0.242 4.076 4.320 -0.003 0.000 0.217 504 A C 2.084 179.479 177.584 -0.316 0.000 1.186 504 A CA 2.220 54.101 52.037 -0.259 0.000 0.624 504 A CB -0.573 18.251 19.000 -0.295 0.000 0.822 504 A HN 0.434 nan 8.150 nan 0.000 0.444 505 R N -0.849 119.391 120.500 -0.434 0.000 2.189 505 R HA 0.340 4.678 4.340 -0.003 0.000 0.218 505 R C 1.150 177.348 176.300 -0.169 0.000 1.074 505 R CA 0.845 56.715 56.100 -0.384 0.000 0.991 505 R CB -1.286 28.727 30.300 -0.479 0.000 0.883 505 R HN 1.239 nan 8.270 nan 0.000 0.457 506 G N 0.000 108.713 108.800 -0.145 0.000 5.446 506 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 506 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 506 G CA 0.000 45.053 45.100 -0.079 0.000 0.502 506 G HN 0.000 nan 8.290 nan 0.000 0.925