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 2c3c_1_A DATA FIRST_RESID 2 DATA SEQUENCE KVWNARNDHL TINQWATRID EILEAPDGGE VIYNVDENDP REYDAIFIGG DATA SEQUENCE GAAGRFGSAY LRAMGGRQLI VDRWPFLGGS CPHNACVPHH LFSDCAAELM DATA SEQUENCE LARTFSGQYW FPDMTEKVVG IKEVVDLFRA GRNGPHGIMN FQSKEQLNLE DATA SEQUENCE YILNCPAKVI DNHTVEAAGK VFKAKNLILA VGAGPGTLDV PGVNAKGVFD DATA SEQUENCE HATLVEELDY EPGSTVVVVG GSKTAVEYGC FFNATGRRTV MLVRTEPLKL DATA SEQUENCE IKDNETRAYV LDRMKEQGME IISGSNVTRI EEDANGRVQA VVAMTPNGEM DATA SEQUENCE RIETDFVFLG LGEQPRSAEL AKILGLDLGP KGEVLVNEYL QTSVPNVYAV DATA SEQUENCE GDLIGGPMEM FKARKSGCYA ARNVMGEKIS YTPKNYPDFL HTHYEVSFLG DATA SEQUENCE MGEEEARAAG HEIVTIKMPP DTENGLNVAL PASDRTMLYA FGKGTAHMSG DATA SEQUENCE FQKIVIDAKT RKVLGAHHVG YGAKDAFQYL NVLIKQGLTV DELGDMDELF DATA SEQUENCE LNPTHFIQLS RLRAGSKNLV SL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.665 176.600 0.108 0.000 0.988 2 K CA 0.000 56.332 56.287 0.075 0.000 0.838 2 K CB 0.000 32.530 32.500 0.050 0.000 1.064 3 V N 3.055 123.028 119.914 0.099 0.000 2.334 3 V HA 0.325 4.449 4.120 0.007 0.000 0.281 3 V C -0.862 175.352 176.094 0.200 0.000 1.016 3 V CA -0.711 61.660 62.300 0.118 0.000 0.832 3 V CB 0.970 32.789 31.823 -0.007 0.000 0.999 3 V HN 0.362 nan 8.190 nan 0.000 0.439 4 W N 6.622 127.970 121.300 0.079 0.000 2.332 4 W HA 0.392 5.052 4.660 -0.001 0.000 0.306 4 W C 0.141 176.739 176.519 0.131 0.000 1.149 4 W CA -1.241 56.154 57.345 0.084 0.000 1.271 4 W CB 0.580 30.095 29.460 0.091 0.000 1.243 4 W HN 0.555 nan 8.180 nan 0.000 0.459 5 N N 4.808 123.583 118.700 0.125 0.000 2.415 5 N HA 0.211 4.955 4.740 0.007 0.000 0.250 5 N C 0.364 175.682 175.510 -0.320 0.000 1.127 5 N CA 0.428 53.465 53.050 -0.021 0.000 0.945 5 N CB 1.270 39.806 38.487 0.082 0.000 1.196 5 N HN 0.579 nan 8.380 nan 0.000 0.499 6 A N 3.793 126.191 122.820 -0.703 0.000 2.275 6 A HA 0.044 4.368 4.320 0.007 0.000 0.212 6 A C 2.017 179.369 177.584 -0.387 0.000 1.201 6 A CA -0.040 51.498 52.037 -0.832 0.000 0.843 6 A CB -0.027 18.127 19.000 -1.409 0.000 0.873 6 A HN 0.610 nan 8.150 nan 0.000 0.492 7 R N 1.775 122.116 120.500 -0.266 0.000 2.133 7 R HA -0.160 4.184 4.340 0.007 0.000 0.245 7 R C 0.772 176.942 176.300 -0.217 0.000 1.137 7 R CA 2.396 58.367 56.100 -0.215 0.000 0.947 7 R CB -0.502 29.729 30.300 -0.115 0.000 0.865 7 R HN 0.498 nan 8.270 nan 0.000 0.437 8 N N 0.643 119.254 118.700 -0.148 0.000 2.314 8 N HA 0.024 4.768 4.740 0.007 0.000 0.200 8 N C -0.812 174.565 175.510 -0.221 0.000 1.135 8 N CA 0.148 53.123 53.050 -0.125 0.000 0.835 8 N CB 0.250 38.747 38.487 0.017 0.000 0.989 8 N HN 0.232 nan 8.380 nan 0.000 0.478 9 D N 0.069 120.298 120.400 -0.285 0.000 2.253 9 D HA 0.216 4.860 4.640 0.007 0.000 0.249 9 D C 0.202 176.220 176.300 -0.470 0.000 1.049 9 D CA 0.191 54.092 54.000 -0.166 0.000 0.929 9 D CB 0.937 41.793 40.800 0.094 0.000 1.176 9 D HN 0.116 nan 8.370 nan 0.000 0.437 10 H N 1.887 121.004 119.070 0.078 0.000 2.439 10 H HA 0.187 4.749 4.556 0.011 0.000 0.228 10 H C -0.339 175.050 175.328 0.101 0.000 1.423 10 H CA -0.549 55.566 56.048 0.111 0.000 1.386 10 H CB 0.198 30.023 29.762 0.106 0.000 1.641 10 H HN 0.056 nan 8.280 nan 0.000 0.508 11 L N 2.087 123.330 121.223 0.033 0.000 2.483 11 L HA 0.008 4.352 4.340 0.007 0.000 0.275 11 L C 1.685 178.668 176.870 0.189 0.000 1.220 11 L CA 0.400 55.180 54.840 -0.100 0.000 0.833 11 L CB 0.441 42.073 42.059 -0.712 0.000 1.102 11 L HN 0.482 nan 8.230 nan 0.000 0.490 12 T N -1.138 113.488 114.554 0.120 0.000 2.770 12 T HA 0.351 4.705 4.350 0.007 0.000 0.281 12 T C 1.503 176.299 174.700 0.159 0.000 0.981 12 T CA -0.490 61.667 62.100 0.095 0.000 0.955 12 T CB 0.409 69.269 68.868 -0.014 0.000 1.060 12 T HN 0.385 nan 8.240 nan 0.000 0.531 13 I N 0.944 121.446 120.570 -0.114 0.000 2.179 13 I HA -0.176 3.998 4.170 0.007 0.000 0.242 13 I C 2.625 178.816 176.117 0.123 0.000 1.088 13 I CA 1.622 62.930 61.300 0.014 0.000 1.357 13 I CB -0.573 37.301 38.000 -0.210 0.000 1.051 13 I HN 0.711 nan 8.210 nan 0.000 0.409 14 N N 0.016 118.735 118.700 0.032 0.000 2.331 14 N HA -0.175 4.569 4.740 0.007 0.000 0.180 14 N C 1.796 177.347 175.510 0.069 0.000 1.019 14 N CA 0.665 53.739 53.050 0.040 0.000 0.881 14 N CB 0.018 38.501 38.487 -0.006 0.000 0.972 14 N HN 0.442 nan 8.380 nan 0.000 0.435 15 Q N -0.416 119.420 119.800 0.061 0.000 2.123 15 Q HA -0.096 4.248 4.340 0.007 0.000 0.199 15 Q C 1.400 177.447 176.000 0.079 0.000 0.966 15 Q CA 0.996 56.810 55.803 0.018 0.000 0.845 15 Q CB -0.058 28.649 28.738 -0.052 0.000 0.907 15 Q HN 0.498 nan 8.270 nan 0.000 0.439 16 W N 0.696 122.072 121.300 0.126 0.000 2.381 16 W HA -0.164 4.495 4.660 -0.001 0.000 0.301 16 W C 2.512 179.111 176.519 0.134 0.000 1.205 16 W CA 0.937 58.387 57.345 0.176 0.000 1.285 16 W CB -0.077 29.513 29.460 0.217 0.000 1.133 16 W HN 0.161 nan 8.180 nan 0.000 0.521 17 A N -0.234 122.791 122.820 0.341 0.000 1.883 17 A HA -0.241 4.083 4.320 0.007 0.000 0.217 17 A C 1.804 179.487 177.584 0.164 0.000 1.186 17 A CA 2.564 54.725 52.037 0.207 0.000 0.624 17 A CB -1.317 17.745 19.000 0.103 0.000 0.822 17 A HN 0.257 nan 8.150 nan 0.000 0.444 18 T N -0.808 113.820 114.554 0.123 0.000 2.737 18 T HA -0.128 4.227 4.350 0.007 0.000 0.265 18 T C 2.112 176.866 174.700 0.089 0.000 1.038 18 T CA 1.662 63.807 62.100 0.075 0.000 1.144 18 T CB -0.236 68.650 68.868 0.030 0.000 0.866 18 T HN 0.500 nan 8.240 nan 0.000 0.434 19 R N 1.249 121.814 120.500 0.107 0.000 2.091 19 R HA 0.059 4.403 4.340 0.007 0.000 0.238 19 R C 2.166 178.590 176.300 0.207 0.000 1.136 19 R CA 1.387 57.546 56.100 0.098 0.000 0.959 19 R CB -0.965 29.367 30.300 0.054 0.000 0.856 19 R HN 0.454 nan 8.270 nan 0.000 0.437 20 I N 0.425 121.181 120.570 0.311 0.000 2.286 20 I HA -0.248 3.926 4.170 0.007 0.000 0.248 20 I C 2.016 178.263 176.117 0.217 0.000 1.115 20 I CA 1.471 62.956 61.300 0.308 0.000 1.392 20 I CB -0.425 37.771 38.000 0.326 0.000 1.065 20 I HN 0.287 nan 8.210 nan 0.000 0.418 21 D N 0.981 121.483 120.400 0.170 0.000 2.097 21 D HA -0.196 4.449 4.640 0.007 0.000 0.195 21 D C 2.048 178.414 176.300 0.109 0.000 0.989 21 D CA 1.446 55.520 54.000 0.124 0.000 0.827 21 D CB 0.066 40.915 40.800 0.082 0.000 0.966 21 D HN 0.417 nan 8.370 nan 0.000 0.456 22 E N 0.085 120.340 120.200 0.092 0.000 2.077 22 E HA -0.129 4.226 4.350 0.007 0.000 0.193 22 E C 2.435 179.087 176.600 0.088 0.000 0.989 22 E CA 0.550 56.991 56.400 0.067 0.000 0.800 22 E CB 0.034 29.751 29.700 0.029 0.000 0.746 22 E HN 0.374 nan 8.360 nan 0.000 0.452 23 I N 0.926 121.569 120.570 0.121 0.000 2.315 23 I HA -0.252 3.922 4.170 0.007 0.000 0.248 23 I C 2.292 178.498 176.117 0.149 0.000 1.117 23 I CA 0.906 62.291 61.300 0.142 0.000 1.404 23 I CB -0.137 37.981 38.000 0.197 0.000 1.071 23 I HN 0.120 nan 8.210 nan 0.000 0.419 24 L N 0.164 121.486 121.223 0.166 0.000 2.141 24 L HA -0.147 4.198 4.340 0.007 0.000 0.209 24 L C 2.273 179.234 176.870 0.153 0.000 1.094 24 L CA 1.029 55.978 54.840 0.182 0.000 0.763 24 L CB -0.329 41.856 42.059 0.210 0.000 0.908 24 L HN 0.228 nan 8.230 nan 0.000 0.437 25 E N 0.253 120.526 120.200 0.122 0.000 2.447 25 E HA 0.134 4.489 4.350 0.007 0.000 0.195 25 E C 0.805 177.456 176.600 0.085 0.000 1.028 25 E CA 0.167 56.627 56.400 0.100 0.000 0.876 25 E CB 0.053 29.801 29.700 0.080 0.000 0.885 25 E HN 0.270 nan 8.360 nan 0.000 0.500 26 A N 2.917 125.788 122.820 0.084 0.000 2.545 26 A HA 0.115 4.439 4.320 0.007 0.000 0.253 26 A C -1.361 176.265 177.584 0.069 0.000 1.074 26 A CA -0.756 51.322 52.037 0.069 0.000 0.760 26 A CB 0.114 19.156 19.000 0.069 0.000 1.005 26 A HN -0.096 nan 8.150 nan 0.000 0.506 27 P HA -0.168 nan 4.420 nan 0.000 0.218 27 P C 0.688 178.021 177.300 0.055 0.000 1.148 27 P CA 1.662 64.796 63.100 0.055 0.000 0.822 27 P CB 0.102 31.829 31.700 0.045 0.000 0.784 28 D N -2.218 118.213 120.400 0.052 0.000 2.349 28 D HA 0.071 4.715 4.640 0.007 0.000 0.224 28 D C 1.455 177.790 176.300 0.058 0.000 1.029 28 D CA 0.822 54.852 54.000 0.050 0.000 0.879 28 D CB -0.704 40.122 40.800 0.043 0.000 0.906 28 D HN 0.258 nan 8.370 nan 0.000 0.528 29 G N -0.928 107.915 108.800 0.070 0.000 2.238 29 G HA2 0.052 4.016 3.960 0.007 0.000 0.217 29 G HA3 0.052 4.016 3.960 0.007 0.000 0.217 29 G C 0.811 175.767 174.900 0.093 0.000 0.996 29 G CA 0.219 45.367 45.100 0.080 0.000 0.632 29 G HN 1.344 nan 8.290 nan 0.000 0.503 30 G N -0.021 108.832 108.800 0.088 0.000 2.733 30 G HA2 0.340 4.305 3.960 0.007 0.000 0.686 30 G HA3 0.340 4.305 3.960 0.007 0.000 0.686 30 G C -0.065 174.905 174.900 0.117 0.000 1.373 30 G CA 0.730 45.891 45.100 0.102 0.000 0.838 30 G HN 1.916 nan 8.290 nan 0.000 0.588 31 E N -0.575 119.707 120.200 0.137 0.000 2.408 31 E HA 0.452 4.807 4.350 0.007 0.000 0.259 31 E C 0.283 177.017 176.600 0.224 0.000 1.110 31 E CA -0.725 55.780 56.400 0.175 0.000 0.929 31 E CB 1.086 30.909 29.700 0.204 0.000 0.971 31 E HN 0.537 nan 8.360 nan 0.000 0.438 32 V N 2.840 122.885 119.914 0.219 0.000 2.583 32 V HA 0.144 4.268 4.120 0.007 0.000 0.287 32 V C 0.357 176.632 176.094 0.300 0.000 1.051 32 V CA -0.330 62.102 62.300 0.220 0.000 1.010 32 V CB 0.739 32.669 31.823 0.178 0.000 0.988 32 V HN 0.538 nan 8.190 nan 0.000 0.478 33 I N 5.194 125.932 120.570 0.281 0.000 2.307 33 I HA 0.273 4.447 4.170 0.007 0.000 0.289 33 I C -0.919 175.295 176.117 0.161 0.000 1.021 33 I CA -0.358 61.086 61.300 0.240 0.000 1.224 33 I CB 0.489 38.680 38.000 0.319 0.000 1.376 33 I HN 0.577 nan 8.210 nan 0.000 0.470 34 Y N 6.996 127.233 120.300 -0.104 0.000 2.402 34 Y HA 0.350 4.925 4.550 0.043 0.000 0.332 34 Y C -0.165 175.599 175.900 -0.228 0.000 0.960 34 Y CA -0.671 57.369 58.100 -0.100 0.000 1.228 34 Y CB 0.842 39.283 38.460 -0.033 0.000 1.120 34 Y HN 0.564 nan 8.280 nan 0.000 0.491 35 N N 5.329 123.740 118.700 -0.481 0.000 2.851 35 N HA 0.394 5.138 4.740 0.007 0.000 0.248 35 N C -2.275 172.881 175.510 -0.590 0.000 1.221 35 N CA -0.199 52.506 53.050 -0.575 0.000 0.847 35 N CB 0.609 38.557 38.487 -0.898 0.000 1.150 35 N HN 0.284 nan 8.380 nan 0.000 0.507 36 V N 1.154 120.747 119.914 -0.534 0.000 2.735 36 V HA 0.338 4.462 4.120 0.007 0.000 0.310 36 V C -0.558 175.448 176.094 -0.146 0.000 1.061 36 V CA -0.976 61.101 62.300 -0.371 0.000 0.913 36 V CB 1.957 33.473 31.823 -0.512 0.000 1.005 36 V HN 0.424 nan 8.190 nan 0.000 0.428 37 D N 2.735 123.088 120.400 -0.078 0.000 2.422 37 D HA 0.158 4.803 4.640 0.007 0.000 0.227 37 D C 1.060 177.369 176.300 0.015 0.000 1.190 37 D CA -0.026 53.952 54.000 -0.037 0.000 0.905 37 D CB 0.884 41.653 40.800 -0.052 0.000 1.034 37 D HN 0.621 nan 8.370 nan 0.000 0.507 38 E N 2.060 122.292 120.200 0.054 0.000 2.478 38 E HA -0.081 4.273 4.350 0.007 0.000 0.198 38 E C 0.586 177.212 176.600 0.043 0.000 1.046 38 E CA 0.394 56.846 56.400 0.085 0.000 0.870 38 E CB 0.135 29.908 29.700 0.122 0.000 0.818 38 E HN 0.576 nan 8.360 nan 0.000 0.527 39 N N 0.746 119.456 118.700 0.018 0.000 2.299 39 N HA -0.051 4.693 4.740 0.007 0.000 0.187 39 N C 0.092 175.594 175.510 -0.014 0.000 1.099 39 N CA -0.187 52.865 53.050 0.004 0.000 0.867 39 N CB 0.428 38.917 38.487 0.003 0.000 0.974 39 N HN -0.032 nan 8.380 nan 0.000 0.477 40 D N 1.701 122.083 120.400 -0.029 0.000 2.336 40 D HA 0.066 4.710 4.640 0.007 0.000 0.249 40 D C -1.425 174.833 176.300 -0.071 0.000 1.213 40 D CA -2.152 51.814 54.000 -0.057 0.000 0.870 40 D CB 1.210 41.960 40.800 -0.083 0.000 1.076 40 D HN 0.137 nan 8.370 nan 0.000 0.483 41 P HA 0.015 nan 4.420 nan 0.000 0.241 41 P C 0.099 177.352 177.300 -0.078 0.000 1.191 41 P CA 0.019 63.087 63.100 -0.054 0.000 0.771 41 P CB 0.464 32.144 31.700 -0.033 0.000 0.929 42 R N 1.301 121.737 120.500 -0.106 0.000 2.679 42 R HA 0.135 4.480 4.340 0.007 0.000 0.268 42 R C 0.742 176.937 176.300 -0.175 0.000 1.044 42 R CA -0.091 55.940 56.100 -0.115 0.000 1.105 42 R CB 0.381 30.614 30.300 -0.112 0.000 0.989 42 R HN 0.212 nan 8.270 nan 0.000 0.447 43 E N 1.678 121.815 120.200 -0.105 0.000 2.390 43 E HA -0.015 4.339 4.350 0.007 0.000 0.261 43 E C -0.972 175.570 176.600 -0.097 0.000 1.076 43 E CA -0.380 55.977 56.400 -0.073 0.000 0.905 43 E CB 0.537 30.243 29.700 0.011 0.000 0.984 43 E HN 0.308 nan 8.360 nan 0.000 0.427 44 Y N 2.596 122.935 120.300 0.065 0.000 2.377 44 Y HA -0.006 4.548 4.550 0.006 0.000 0.330 44 Y C 1.088 177.021 175.900 0.055 0.000 1.108 44 Y CA 0.111 58.246 58.100 0.057 0.000 1.308 44 Y CB 0.945 39.444 38.460 0.064 0.000 1.216 44 Y HN 0.627 nan 8.280 nan 0.000 0.518 45 D N 2.019 122.537 120.400 0.197 0.000 2.194 45 D HA 0.110 4.754 4.640 0.007 0.000 0.204 45 D C 0.153 176.515 176.300 0.103 0.000 0.964 45 D CA 0.967 55.041 54.000 0.125 0.000 0.846 45 D CB 0.418 41.272 40.800 0.090 0.000 0.962 45 D HN 0.506 nan 8.370 nan 0.000 0.490 46 A N 0.224 123.116 122.820 0.121 0.000 2.589 46 A HA 0.591 4.915 4.320 0.007 0.000 0.296 46 A C -1.342 176.234 177.584 -0.015 0.000 1.062 46 A CA -0.573 51.447 52.037 -0.029 0.000 0.686 46 A CB 1.406 20.249 19.000 -0.262 0.000 1.282 46 A HN 0.005 nan 8.150 nan 0.000 0.404 47 I N 1.489 121.986 120.570 -0.122 0.000 2.378 47 I HA 0.427 4.602 4.170 0.007 0.000 0.291 47 I C -1.279 174.766 176.117 -0.119 0.000 0.992 47 I CA -0.394 60.840 61.300 -0.109 0.000 1.154 47 I CB 1.513 39.426 38.000 -0.146 0.000 1.315 47 I HN 0.559 nan 8.210 nan 0.000 0.448 48 F N 6.354 126.239 119.950 -0.107 0.000 2.410 48 F HA 0.377 4.906 4.527 0.003 0.000 0.349 48 F C 0.312 176.068 175.800 -0.073 0.000 1.117 48 F CA -0.678 57.282 58.000 -0.066 0.000 1.104 48 F CB 0.957 39.925 39.000 -0.054 0.000 1.122 48 F HN 0.143 nan 8.300 nan 0.000 0.483 49 I N 3.852 124.474 120.570 0.086 0.000 2.269 49 I HA 0.479 4.653 4.170 0.007 0.000 0.293 49 I C 0.512 176.659 176.117 0.050 0.000 1.106 49 I CA -0.299 61.022 61.300 0.034 0.000 1.248 49 I CB -0.257 37.744 38.000 0.002 0.000 1.444 49 I HN 0.687 nan 8.210 nan 0.000 0.497 50 G N 3.975 112.794 108.800 0.031 0.000 3.055 50 G HA2 0.104 4.068 3.960 0.007 0.000 0.685 50 G HA3 0.104 4.068 3.960 0.007 0.000 0.685 50 G C -0.057 174.863 174.900 0.033 0.000 1.212 50 G CA -0.515 44.597 45.100 0.019 0.000 0.822 50 G HN 0.906 nan 8.290 nan 0.000 0.610 51 G N 0.439 109.232 108.800 -0.011 0.000 4.331 51 G HA2 0.695 4.659 3.960 0.007 0.000 0.299 51 G HA3 0.695 4.659 3.960 0.007 0.000 0.299 51 G C 0.840 175.740 174.900 -0.000 0.000 1.158 51 G CA 0.980 46.050 45.100 -0.051 0.000 0.916 51 G HN 1.335 nan 8.290 nan 0.000 0.553 52 G N -0.034 108.810 108.800 0.072 0.000 2.504 52 G HA2 0.450 4.414 3.960 0.007 0.000 0.257 52 G HA3 0.450 4.414 3.960 0.007 0.000 0.257 52 G C 1.550 176.523 174.900 0.121 0.000 1.451 52 G CA 0.434 45.612 45.100 0.131 0.000 1.059 52 G HN 0.450 nan 8.290 nan 0.000 0.550 53 A N -0.533 122.365 122.820 0.130 0.000 1.884 53 A HA -0.004 4.320 4.320 0.007 0.000 0.219 53 A C 2.775 180.434 177.584 0.124 0.000 1.197 53 A CA 3.314 55.422 52.037 0.119 0.000 0.637 53 A CB -1.169 17.840 19.000 0.016 0.000 0.827 53 A HN 1.337 nan 8.150 nan 0.000 0.450 54 A N -0.937 121.935 122.820 0.087 0.000 1.873 54 A HA 0.156 4.480 4.320 0.007 0.000 0.215 54 A C 2.473 180.143 177.584 0.144 0.000 1.186 54 A CA 2.003 54.104 52.037 0.106 0.000 0.616 54 A CB -1.437 17.623 19.000 0.101 0.000 0.823 54 A HN 0.830 nan 8.150 nan 0.000 0.442 55 G N -0.981 107.891 108.800 0.120 0.000 2.408 55 G HA2 -0.209 3.756 3.960 0.007 0.000 0.217 55 G HA3 -0.209 3.756 3.960 0.007 0.000 0.217 55 G C 1.768 176.504 174.900 -0.274 0.000 1.150 55 G CA 0.982 46.102 45.100 0.033 0.000 0.776 55 G HN 0.526 nan 8.290 nan 0.000 0.542 56 R N -0.880 119.559 120.500 -0.102 0.000 2.062 56 R HA 0.087 4.431 4.340 0.007 0.000 0.229 56 R C 2.266 178.471 176.300 -0.158 0.000 1.128 56 R CA 0.865 56.871 56.100 -0.156 0.000 0.960 56 R CB -0.319 29.947 30.300 -0.057 0.000 0.855 56 R HN 0.384 nan 8.270 nan 0.000 0.432 57 F N -0.227 119.649 119.950 -0.124 0.000 2.186 57 F HA -0.007 4.524 4.527 0.007 0.000 0.299 57 F C 2.389 178.149 175.800 -0.066 0.000 1.090 57 F CA 1.361 59.320 58.000 -0.068 0.000 1.307 57 F CB -0.447 38.537 39.000 -0.026 0.000 1.019 57 F HN 0.217 nan 8.300 nan 0.000 0.489 58 G N -1.115 107.731 108.800 0.076 0.000 2.418 58 G HA2 -0.241 3.723 3.960 0.007 0.000 0.217 58 G HA3 -0.241 3.723 3.960 0.007 0.000 0.217 58 G C 1.857 176.690 174.900 -0.112 0.000 1.158 58 G CA 1.144 46.308 45.100 0.107 0.000 0.771 58 G HN 0.313 nan 8.290 nan 0.000 0.545 59 S N 0.833 116.141 115.700 -0.654 0.000 2.355 59 S HA 0.022 4.496 4.470 0.007 0.000 0.222 59 S C 2.817 177.283 174.600 -0.223 0.000 1.031 59 S CA 1.174 59.012 58.200 -0.604 0.000 0.993 59 S CB -0.377 62.401 63.200 -0.702 0.000 0.859 59 S HN 0.583 nan 8.310 nan 0.000 0.453 60 A N 0.188 122.877 122.820 -0.217 0.000 1.908 60 A HA -0.141 4.183 4.320 0.007 0.000 0.218 60 A C 1.970 179.490 177.584 -0.107 0.000 1.181 60 A CA 1.579 53.501 52.037 -0.191 0.000 0.627 60 A CB -0.939 17.874 19.000 -0.313 0.000 0.818 60 A HN 0.568 nan 8.150 nan 0.000 0.445 61 Y N -0.344 119.887 120.300 -0.115 0.000 2.200 61 Y HA -0.094 4.459 4.550 0.006 0.000 0.290 61 Y C 2.146 178.025 175.900 -0.036 0.000 1.137 61 Y CA 1.676 59.738 58.100 -0.063 0.000 1.163 61 Y CB -0.197 38.239 38.460 -0.038 0.000 0.988 61 Y HN 0.294 nan 8.280 nan 0.000 0.518 62 L N -0.268 121.065 121.223 0.183 0.000 2.046 62 L HA -0.238 4.107 4.340 0.007 0.000 0.208 62 L C 2.586 179.483 176.870 0.046 0.000 1.077 62 L CA 1.722 56.651 54.840 0.148 0.000 0.747 62 L CB -0.253 41.935 42.059 0.215 0.000 0.896 62 L HN 0.100 nan 8.230 nan 0.000 0.432 63 R N 0.110 120.607 120.500 -0.006 0.000 2.092 63 R HA -0.079 4.265 4.340 0.007 0.000 0.231 63 R C 2.124 178.375 176.300 -0.082 0.000 1.119 63 R CA 1.502 57.577 56.100 -0.041 0.000 0.970 63 R CB -0.590 29.670 30.300 -0.066 0.000 0.864 63 R HN 0.465 nan 8.270 nan 0.000 0.440 64 A N 0.170 122.906 122.820 -0.139 0.000 1.972 64 A HA -0.128 4.197 4.320 0.007 0.000 0.219 64 A C 2.009 179.489 177.584 -0.172 0.000 1.169 64 A CA 1.638 53.556 52.037 -0.200 0.000 0.635 64 A CB -0.432 18.358 19.000 -0.351 0.000 0.810 64 A HN 0.405 nan 8.150 nan 0.000 0.446 65 M N -1.343 118.176 119.600 -0.134 0.000 2.618 65 M HA 0.154 4.639 4.480 0.007 0.000 0.240 65 M C 1.325 177.606 176.300 -0.031 0.000 1.123 65 M CA 0.804 56.065 55.300 -0.066 0.000 1.060 65 M CB 0.179 32.788 32.600 0.014 0.000 1.535 65 M HN 0.633 nan 8.290 nan 0.000 0.507 66 G N 0.221 108.999 108.800 -0.038 0.000 2.157 66 G HA2 -0.170 3.794 3.960 0.007 0.000 0.239 66 G HA3 -0.170 3.794 3.960 0.007 0.000 0.239 66 G C 0.243 175.138 174.900 -0.008 0.000 0.982 66 G CA -0.250 44.835 45.100 -0.025 0.000 0.650 66 G HN 0.616 nan 8.290 nan 0.000 0.527 67 G N -0.884 107.922 108.800 0.010 0.000 2.522 67 G HA2 0.623 4.588 3.960 0.007 0.000 0.304 67 G HA3 0.623 4.588 3.960 0.007 0.000 0.304 67 G C -0.143 174.779 174.900 0.037 0.000 1.210 67 G CA -0.329 44.790 45.100 0.031 0.000 0.960 67 G HN 0.478 nan 8.290 nan 0.000 0.497 68 R N -0.066 120.468 120.500 0.057 0.000 2.445 68 R HA 0.487 4.831 4.340 0.007 0.000 0.308 68 R C -0.765 175.680 176.300 0.241 0.000 0.961 68 R CA -0.565 55.581 56.100 0.077 0.000 0.862 68 R CB 1.404 31.674 30.300 -0.050 0.000 1.144 68 R HN 0.683 nan 8.270 nan 0.000 0.447 69 Q N 3.009 122.983 119.800 0.290 0.000 2.484 69 Q HA 0.605 4.949 4.340 0.007 0.000 0.285 69 Q C -1.843 174.279 176.000 0.203 0.000 1.097 69 Q CA -0.990 55.010 55.803 0.328 0.000 0.802 69 Q CB 1.809 30.716 28.738 0.282 0.000 1.444 69 Q HN 0.412 nan 8.270 nan 0.000 0.429 70 L N 0.643 121.842 121.223 -0.039 0.000 2.464 70 L HA 0.670 5.014 4.340 0.007 0.000 0.266 70 L C -1.873 174.916 176.870 -0.135 0.000 0.965 70 L CA -0.590 54.058 54.840 -0.321 0.000 0.833 70 L CB 2.005 43.458 42.059 -1.010 0.000 1.296 70 L HN 0.883 nan 8.230 nan 0.000 0.405 71 I N 4.921 125.417 120.570 -0.124 0.000 2.412 71 I HA 0.599 4.773 4.170 0.007 0.000 0.296 71 I C -0.855 175.202 176.117 -0.100 0.000 0.987 71 I CA -0.926 60.335 61.300 -0.066 0.000 1.180 71 I CB 2.005 39.948 38.000 -0.096 0.000 1.340 71 I HN 0.291 nan 8.210 nan 0.000 0.455 72 V N 5.035 124.906 119.914 -0.073 0.000 2.531 72 V HA 0.457 4.581 4.120 0.007 0.000 0.301 72 V C -0.745 175.309 176.094 -0.067 0.000 1.034 72 V CA -0.557 61.698 62.300 -0.075 0.000 0.865 72 V CB 1.928 33.711 31.823 -0.067 0.000 0.995 72 V HN 0.666 nan 8.190 nan 0.000 0.424 73 D N 3.109 123.458 120.400 -0.085 0.000 2.879 73 D HA 0.300 4.945 4.640 0.007 0.000 0.236 73 D C 0.840 177.062 176.300 -0.130 0.000 1.171 73 D CA -0.620 53.310 54.000 -0.117 0.000 0.868 73 D CB 2.556 43.269 40.800 -0.146 0.000 1.598 73 D HN 0.628 nan 8.370 nan 0.000 0.497 74 R N 1.711 122.101 120.500 -0.184 0.000 2.235 74 R HA 0.025 4.369 4.340 0.007 0.000 0.213 74 R C 0.401 176.582 176.300 -0.197 0.000 1.059 74 R CA 0.093 56.075 56.100 -0.196 0.000 0.997 74 R CB 0.185 30.326 30.300 -0.265 0.000 0.884 74 R HN 0.262 nan 8.270 nan 0.000 0.462 75 W N 2.183 123.259 121.300 -0.372 0.000 2.303 75 W HA 0.258 4.922 4.660 0.006 0.000 0.334 75 W C -1.762 174.405 176.519 -0.585 0.000 1.197 75 W CA -2.684 54.282 57.345 -0.632 0.000 1.262 75 W CB 0.936 29.622 29.460 -1.291 0.000 1.153 75 W HN -0.095 nan 8.180 nan 0.000 0.596 76 P HA -0.023 nan 4.420 nan 0.000 0.249 76 P C -0.570 176.696 177.300 -0.057 0.000 1.241 76 P CA 0.675 63.762 63.100 -0.022 0.000 0.781 76 P CB -0.150 31.643 31.700 0.155 0.000 1.088 77 F N -2.025 117.812 119.950 -0.190 0.000 2.643 77 F HA 0.614 5.149 4.527 0.013 0.000 0.314 77 F C -0.906 174.717 175.800 -0.295 0.000 1.096 77 F CA -1.979 55.824 58.000 -0.328 0.000 0.953 77 F CB 0.484 39.166 39.000 -0.531 0.000 1.345 77 F HN -0.398 nan 8.300 nan 0.000 0.468 78 L N 0.693 121.848 121.223 -0.114 0.000 2.387 78 L HA 0.729 5.073 4.340 0.007 0.000 0.266 78 L C 0.984 177.934 176.870 0.133 0.000 1.059 78 L CA -0.170 54.592 54.840 -0.130 0.000 0.801 78 L CB 1.435 43.303 42.059 -0.318 0.000 1.223 78 L HN 1.158 nan 8.230 nan 0.000 0.456 79 G N -0.158 108.711 108.800 0.114 0.000 2.259 79 G HA2 -0.023 3.941 3.960 0.007 0.000 0.217 79 G HA3 -0.023 3.941 3.960 0.007 0.000 0.217 79 G C 0.634 175.685 174.900 0.251 0.000 1.001 79 G CA -0.117 45.095 45.100 0.188 0.000 0.627 79 G HN 1.433 nan 8.290 nan 0.000 0.501 80 G N -0.047 108.947 108.800 0.324 0.000 2.552 80 G HA2 0.025 3.989 3.960 0.007 0.000 0.265 80 G HA3 0.025 3.989 3.960 0.007 0.000 0.265 80 G C 1.574 176.747 174.900 0.455 0.000 1.234 80 G CA 2.459 47.819 45.100 0.433 0.000 0.944 80 G HN 2.052 nan 8.290 nan 0.000 0.568 81 S N -0.887 115.103 115.700 0.484 0.000 2.399 81 S HA -0.148 4.326 4.470 0.007 0.000 0.231 81 S C 2.533 177.314 174.600 0.301 0.000 1.022 81 S CA 2.280 60.745 58.200 0.442 0.000 0.983 81 S CB -1.030 62.439 63.200 0.448 0.000 0.803 81 S HN 1.830 nan 8.310 nan 0.000 0.480 82 C N 3.633 123.073 119.300 0.232 0.000 2.359 82 C HA -0.042 4.423 4.460 0.007 0.000 0.277 82 C C 0.099 175.173 174.990 0.140 0.000 1.192 82 C CA 1.776 60.891 59.018 0.161 0.000 1.759 82 C CB -1.372 26.441 27.740 0.122 0.000 2.038 82 C HN 0.580 nan 8.230 nan 0.000 0.448 83 P HA -0.055 nan 4.420 nan 0.000 0.227 83 P C 0.883 178.261 177.300 0.130 0.000 1.161 83 P CA 1.767 64.913 63.100 0.077 0.000 0.788 83 P CB -0.315 31.399 31.700 0.024 0.000 0.822 84 H N 1.398 120.508 119.070 0.068 0.000 2.431 84 H HA 0.022 4.584 4.556 0.010 0.000 0.295 84 H C 1.090 176.594 175.328 0.294 0.000 1.038 84 H CA 1.894 57.977 56.048 0.059 0.000 1.360 84 H CB 0.205 29.807 29.762 -0.267 0.000 1.433 84 H HN 0.165 nan 8.280 nan 0.000 0.536 85 N N -1.950 116.929 118.700 0.298 0.000 1.958 85 N HA 0.216 4.960 4.740 0.007 0.000 0.223 85 N C 0.015 175.741 175.510 0.360 0.000 1.395 85 N CA 0.428 53.652 53.050 0.289 0.000 0.737 85 N CB 0.159 38.875 38.487 0.381 0.000 1.155 85 N HN 0.229 nan 8.380 nan 0.000 0.529 86 A N 0.477 123.448 122.820 0.252 0.000 2.899 86 A HA 0.385 4.709 4.320 0.007 0.000 0.209 86 A C 1.709 179.395 177.584 0.171 0.000 2.128 86 A CA 0.599 52.753 52.037 0.195 0.000 1.768 86 A CB -0.755 18.337 19.000 0.154 0.000 1.238 86 A HN 0.235 nan 8.150 nan 0.000 0.375 87 C N -0.166 119.240 119.300 0.176 0.000 2.398 87 C HA -0.060 4.404 4.460 0.007 0.000 0.276 87 C C 2.589 177.629 174.990 0.082 0.000 1.222 87 C CA 1.042 60.196 59.018 0.225 0.000 1.746 87 C CB -1.578 26.246 27.740 0.141 0.000 2.039 87 C HN 0.406 nan 8.230 nan 0.000 0.470 88 V N 2.832 122.727 119.914 -0.032 0.000 2.237 88 V HA -0.159 3.965 4.120 0.007 0.000 0.245 88 V C 0.286 176.176 176.094 -0.340 0.000 1.046 88 V CA 2.707 64.933 62.300 -0.124 0.000 1.007 88 V CB -2.031 29.777 31.823 -0.024 0.000 0.638 88 V HN 0.389 nan 8.190 nan 0.000 0.445 89 P HA -0.230 nan 4.420 nan 0.000 0.216 89 P C 1.548 178.044 177.300 -1.339 0.000 1.150 89 P CA 2.226 64.426 63.100 -1.501 0.000 0.837 89 P CB -0.273 30.199 31.700 -2.046 0.000 0.786 90 H N 0.493 119.148 119.070 -0.691 0.000 2.353 90 H HA -0.189 4.371 4.556 0.007 0.000 0.298 90 H C 2.011 177.007 175.328 -0.553 0.000 1.103 90 H CA 1.809 57.540 56.048 -0.528 0.000 1.293 90 H CB -1.383 28.303 29.762 -0.127 0.000 1.372 90 H HN 0.247 nan 8.280 nan 0.000 0.501 91 H N -0.823 117.792 119.070 -0.758 0.000 2.428 91 H HA -0.061 4.499 4.556 0.007 0.000 0.296 91 H C 2.286 177.316 175.328 -0.498 0.000 1.062 91 H CA 1.106 56.756 56.048 -0.663 0.000 1.350 91 H CB 0.106 29.592 29.762 -0.461 0.000 1.403 91 H HN 0.371 nan 8.280 nan 0.000 0.533 92 L N 0.437 121.387 121.223 -0.455 0.000 2.056 92 L HA -0.096 4.248 4.340 0.007 0.000 0.207 92 L C 2.041 178.680 176.870 -0.385 0.000 1.078 92 L CA 1.344 55.949 54.840 -0.391 0.000 0.749 92 L CB -0.830 40.969 42.059 -0.433 0.000 0.901 92 L HN 0.079 nan 8.230 nan 0.000 0.433 93 F N -0.930 118.649 119.950 -0.618 0.000 2.134 93 F HA -0.207 4.324 4.527 0.007 0.000 0.299 93 F C 2.487 177.911 175.800 -0.626 0.000 1.097 93 F CA 0.849 58.253 58.000 -0.993 0.000 1.264 93 F CB -0.523 37.684 39.000 -1.321 0.000 1.001 93 F HN 0.047 nan 8.300 nan 0.000 0.479 94 S N -0.285 115.197 115.700 -0.363 0.000 2.399 94 S HA -0.188 4.287 4.470 0.007 0.000 0.231 94 S C 1.370 175.839 174.600 -0.219 0.000 1.022 94 S CA 1.327 59.312 58.200 -0.358 0.000 0.983 94 S CB -0.344 62.353 63.200 -0.839 0.000 0.803 94 S HN 0.296 nan 8.310 nan 0.000 0.480 95 D N 0.766 121.038 120.400 -0.214 0.000 2.117 95 D HA -0.051 4.593 4.640 0.007 0.000 0.197 95 D C 2.008 178.293 176.300 -0.025 0.000 0.987 95 D CA 0.785 54.726 54.000 -0.099 0.000 0.829 95 D CB -0.352 40.390 40.800 -0.097 0.000 0.961 95 D HN 0.339 nan 8.370 nan 0.000 0.460 96 C N 0.561 119.854 119.300 -0.011 0.000 2.429 96 C HA -0.018 4.446 4.460 0.007 0.000 0.277 96 C C 2.838 177.925 174.990 0.161 0.000 1.262 96 C CA 0.739 59.816 59.018 0.098 0.000 1.733 96 C CB -1.073 26.770 27.740 0.172 0.000 2.010 96 C HN 0.367 nan 8.230 nan 0.000 0.483 97 A N 0.628 123.550 122.820 0.170 0.000 1.908 97 A HA 0.004 4.328 4.320 0.007 0.000 0.218 97 A C 2.359 180.066 177.584 0.205 0.000 1.181 97 A CA 2.239 54.393 52.037 0.195 0.000 0.627 97 A CB -0.894 18.150 19.000 0.074 0.000 0.818 97 A HN 0.586 nan 8.150 nan 0.000 0.445 98 A N -0.630 122.275 122.820 0.142 0.000 1.898 98 A HA -0.108 4.216 4.320 0.007 0.000 0.216 98 A C 1.958 179.592 177.584 0.082 0.000 1.181 98 A CA 1.578 53.697 52.037 0.138 0.000 0.620 98 A CB -0.387 18.667 19.000 0.090 0.000 0.819 98 A HN 0.455 nan 8.150 nan 0.000 0.442 99 E N 0.034 120.274 120.200 0.066 0.000 2.106 99 E HA -0.107 4.248 4.350 0.007 0.000 0.192 99 E C 2.052 178.721 176.600 0.115 0.000 0.984 99 E CA 0.756 57.209 56.400 0.088 0.000 0.806 99 E CB -0.387 29.367 29.700 0.091 0.000 0.750 99 E HN 0.656 nan 8.360 nan 0.000 0.458 100 L N 0.415 121.707 121.223 0.114 0.000 2.056 100 L HA -0.112 4.232 4.340 0.007 0.000 0.207 100 L C 2.721 179.621 176.870 0.050 0.000 1.078 100 L CA 0.973 55.869 54.840 0.093 0.000 0.749 100 L CB -0.296 41.824 42.059 0.101 0.000 0.901 100 L HN 0.163 nan 8.230 nan 0.000 0.433 101 M N -0.563 119.073 119.600 0.061 0.000 2.159 101 M HA -0.248 4.236 4.480 0.007 0.000 0.263 101 M C 2.214 178.527 176.300 0.022 0.000 1.063 101 M CA 1.713 57.000 55.300 -0.022 0.000 1.110 101 M CB 0.012 32.566 32.600 -0.077 0.000 1.374 101 M HN 0.230 nan 8.290 nan 0.000 0.411 102 L N 0.851 122.125 121.223 0.084 0.000 2.017 102 L HA -0.062 4.283 4.340 0.007 0.000 0.208 102 L C 2.512 179.265 176.870 -0.194 0.000 1.073 102 L CA 2.305 57.168 54.840 0.039 0.000 0.745 102 L CB -1.015 41.069 42.059 0.041 0.000 0.894 102 L HN 0.340 nan 8.230 nan 0.000 0.432 103 A N -0.589 122.156 122.820 -0.125 0.000 1.933 103 A HA -0.203 4.122 4.320 0.007 0.000 0.218 103 A C 2.417 179.886 177.584 -0.191 0.000 1.175 103 A CA 1.753 53.682 52.037 -0.179 0.000 0.628 103 A CB -0.541 18.535 19.000 0.126 0.000 0.814 103 A HN 0.511 nan 8.150 nan 0.000 0.444 104 R N -1.122 119.304 120.500 -0.125 0.000 2.115 104 R HA -0.050 4.294 4.340 0.007 0.000 0.226 104 R C 2.131 178.309 176.300 -0.203 0.000 1.100 104 R CA 1.609 57.632 56.100 -0.127 0.000 0.980 104 R CB -0.525 29.715 30.300 -0.099 0.000 0.875 104 R HN 0.503 nan 8.270 nan 0.000 0.445 105 T N 0.204 114.596 114.554 -0.271 0.000 2.821 105 T HA -0.065 4.290 4.350 0.007 0.000 0.267 105 T C 0.785 175.057 174.700 -0.714 0.000 1.046 105 T CA 1.148 62.979 62.100 -0.449 0.000 1.139 105 T CB -0.044 68.570 68.868 -0.424 0.000 0.871 105 T HN 0.121 nan 8.240 nan 0.000 0.454 106 F N 1.429 121.157 119.950 -0.369 0.000 2.750 106 F HA 0.406 4.937 4.527 0.007 0.000 0.297 106 F C 1.043 176.647 175.800 -0.326 0.000 1.138 106 F CA -0.688 57.069 58.000 -0.404 0.000 1.346 106 F CB 0.132 38.709 39.000 -0.705 0.000 0.965 106 F HN -0.081 nan 8.300 nan 0.000 0.514 107 S N 0.816 116.427 115.700 -0.148 0.000 2.702 107 S HA 0.221 4.695 4.470 0.007 0.000 0.314 107 S C 1.392 175.984 174.600 -0.013 0.000 1.244 107 S CA 1.089 59.253 58.200 -0.059 0.000 1.058 107 S CB -0.057 63.103 63.200 -0.067 0.000 0.783 107 S HN 0.963 nan 8.310 nan 0.000 0.503 108 G N 3.724 112.543 108.800 0.033 0.000 2.168 108 G HA2 -0.232 3.732 3.960 0.007 0.000 0.257 108 G HA3 -0.232 3.732 3.960 0.007 0.000 0.257 108 G C -0.102 174.779 174.900 -0.031 0.000 0.997 108 G CA 0.611 45.718 45.100 0.012 0.000 0.708 108 G HN 0.782 nan 8.290 nan 0.000 0.520 109 Q N -1.261 118.531 119.800 -0.014 0.000 2.309 109 Q HA 0.611 4.955 4.340 0.007 0.000 0.264 109 Q C 0.895 176.777 176.000 -0.196 0.000 1.008 109 Q CA -0.875 54.784 55.803 -0.239 0.000 0.853 109 Q CB 1.472 30.065 28.738 -0.243 0.000 1.314 109 Q HN 0.446 nan 8.270 nan 0.000 0.448 110 Y N -1.191 119.099 120.300 -0.016 0.000 2.845 110 Y HA -0.432 4.122 4.550 0.007 0.000 0.468 110 Y C 1.227 177.104 175.900 -0.038 0.000 1.163 110 Y CA 1.684 59.755 58.100 -0.049 0.000 2.636 110 Y CB -1.337 36.974 38.460 -0.248 0.000 1.194 110 Y HN 0.913 nan 8.280 nan 0.000 0.626 111 W N -0.533 120.777 121.300 0.017 0.000 3.047 111 W HA 0.410 5.074 4.660 0.007 0.000 0.250 111 W C -0.116 176.315 176.519 -0.146 0.000 1.314 111 W CA -0.657 56.605 57.345 -0.138 0.000 1.540 111 W CB -0.619 28.684 29.460 -0.262 0.000 1.127 111 W HN 0.052 nan 8.180 nan 0.000 0.679 112 F N 4.942 124.679 119.950 -0.355 0.000 2.504 112 F HA 0.243 4.774 4.527 0.007 0.000 0.369 112 F C -1.053 174.712 175.800 -0.058 0.000 1.082 112 F CA -2.712 55.159 58.000 -0.215 0.000 1.216 112 F CB -0.178 38.667 39.000 -0.259 0.000 1.108 112 F HN -0.259 nan 8.300 nan 0.000 0.554 113 P HA -0.012 nan 4.420 nan 0.000 0.274 113 P C -0.746 176.605 177.300 0.086 0.000 1.256 113 P CA -0.407 62.760 63.100 0.112 0.000 0.795 113 P CB 0.824 32.587 31.700 0.104 0.000 1.038 114 D N 1.388 121.818 120.400 0.049 0.000 2.339 114 D HA 0.072 4.716 4.640 0.007 0.000 0.256 114 D C 0.899 177.211 176.300 0.020 0.000 1.214 114 D CA -0.008 54.007 54.000 0.025 0.000 0.877 114 D CB 0.296 41.104 40.800 0.013 0.000 1.111 114 D HN 0.070 nan 8.370 nan 0.000 0.478 115 M N 2.472 122.076 119.600 0.007 0.000 2.509 115 M HA -0.025 4.459 4.480 0.007 0.000 0.250 115 M C 1.760 178.052 176.300 -0.014 0.000 1.132 115 M CA 0.226 55.526 55.300 -0.000 0.000 1.080 115 M CB -0.806 31.788 32.600 -0.010 0.000 1.408 115 M HN 0.342 nan 8.290 nan 0.000 0.484 116 T N 2.058 116.601 114.554 -0.018 0.000 2.567 116 T HA -0.232 4.123 4.350 0.007 0.000 0.261 116 T C 1.051 175.739 174.700 -0.019 0.000 1.123 116 T CA 2.167 64.254 62.100 -0.022 0.000 1.166 116 T CB -0.251 68.606 68.868 -0.019 0.000 0.860 116 T HN 0.433 nan 8.240 nan 0.000 0.436 117 E N 0.145 120.337 120.200 -0.013 0.000 2.499 117 E HA 0.245 4.599 4.350 0.007 0.000 0.199 117 E C -0.003 176.590 176.600 -0.012 0.000 1.016 117 E CA -0.178 56.215 56.400 -0.012 0.000 0.933 117 E CB 0.429 30.123 29.700 -0.009 0.000 1.050 117 E HN 0.134 nan 8.360 nan 0.000 0.462 118 K N 1.186 121.580 120.400 -0.011 0.000 2.285 118 K HA 0.227 4.551 4.320 0.007 0.000 0.286 118 K C -1.052 175.537 176.600 -0.019 0.000 1.072 118 K CA -0.434 55.848 56.287 -0.008 0.000 0.913 118 K CB 0.595 33.097 32.500 0.003 0.000 1.067 118 K HN -0.147 nan 8.250 nan 0.000 0.479 119 V N 5.699 125.598 119.914 -0.024 0.000 2.384 119 V HA 0.322 4.446 4.120 0.007 0.000 0.287 119 V C -0.348 175.721 176.094 -0.042 0.000 1.020 119 V CA -1.080 61.195 62.300 -0.042 0.000 0.850 119 V CB 1.613 33.407 31.823 -0.048 0.000 0.987 119 V HN 0.519 nan 8.190 nan 0.000 0.436 120 V N 3.785 123.667 119.914 -0.053 0.000 2.583 120 V HA 0.453 4.577 4.120 0.007 0.000 0.287 120 V C 1.112 177.164 176.094 -0.070 0.000 1.051 120 V CA -0.163 62.114 62.300 -0.039 0.000 1.010 120 V CB 1.516 33.327 31.823 -0.021 0.000 0.988 120 V HN 0.981 nan 8.190 nan 0.000 0.478 121 G N 3.438 112.212 108.800 -0.042 0.000 2.361 121 G HA2 0.354 4.318 3.960 0.007 0.000 0.260 121 G HA3 0.354 4.318 3.960 0.007 0.000 0.260 121 G C 0.766 175.628 174.900 -0.064 0.000 1.261 121 G CA -0.326 44.734 45.100 -0.066 0.000 0.897 121 G HN 0.732 nan 8.290 nan 0.000 0.499 122 I N 1.627 122.106 120.570 -0.151 0.000 2.286 122 I HA -0.112 4.062 4.170 0.007 0.000 0.245 122 I C 2.726 178.802 176.117 -0.069 0.000 1.104 122 I CA 1.045 62.268 61.300 -0.128 0.000 1.397 122 I CB -0.042 37.753 38.000 -0.342 0.000 1.072 122 I HN 0.585 nan 8.210 nan 0.000 0.417 123 K N 1.202 121.515 120.400 -0.146 0.000 2.147 123 K HA -0.257 4.068 4.320 0.007 0.000 0.205 123 K C 2.055 178.653 176.600 -0.004 0.000 1.049 123 K CA 1.581 57.810 56.287 -0.097 0.000 0.936 123 K CB -0.038 32.387 32.500 -0.126 0.000 0.722 123 K HN 0.269 nan 8.250 nan 0.000 0.446 124 E N 0.019 120.222 120.200 0.005 0.000 2.058 124 E HA -0.182 4.172 4.350 0.007 0.000 0.194 124 E C 1.786 178.436 176.600 0.083 0.000 0.997 124 E CA 1.567 57.990 56.400 0.038 0.000 0.801 124 E CB 0.137 29.855 29.700 0.030 0.000 0.746 124 E HN 0.158 nan 8.360 nan 0.000 0.450 125 V N 0.318 120.307 119.914 0.125 0.000 2.379 125 V HA -0.194 3.930 4.120 0.007 0.000 0.245 125 V C 2.388 178.634 176.094 0.253 0.000 1.044 125 V CA 1.181 63.595 62.300 0.191 0.000 1.036 125 V CB -0.121 31.869 31.823 0.279 0.000 0.664 125 V HN 0.193 nan 8.190 nan 0.000 0.453 126 V N 0.258 120.301 119.914 0.215 0.000 2.407 126 V HA -0.258 3.866 4.120 0.007 0.000 0.248 126 V C 2.280 178.533 176.094 0.264 0.000 1.055 126 V CA 2.162 64.645 62.300 0.305 0.000 1.049 126 V CB -0.672 31.250 31.823 0.165 0.000 0.662 126 V HN 0.535 nan 8.190 nan 0.000 0.455 127 D N -0.201 120.287 120.400 0.146 0.000 2.144 127 D HA -0.132 4.513 4.640 0.007 0.000 0.199 127 D C 1.937 178.279 176.300 0.070 0.000 0.984 127 D CA 1.056 55.111 54.000 0.090 0.000 0.834 127 D CB -0.254 40.580 40.800 0.056 0.000 0.955 127 D HN 0.389 nan 8.370 nan 0.000 0.465 128 L N -0.092 121.189 121.223 0.096 0.000 2.046 128 L HA -0.101 4.243 4.340 0.007 0.000 0.208 128 L C 2.066 178.959 176.870 0.039 0.000 1.077 128 L CA 1.496 56.371 54.840 0.060 0.000 0.747 128 L CB -0.844 41.262 42.059 0.079 0.000 0.896 128 L HN 0.025 nan 8.230 nan 0.000 0.432 129 F N 0.453 120.399 119.950 -0.007 0.000 2.102 129 F HA -0.220 4.311 4.527 0.007 0.000 0.298 129 F C 2.546 178.291 175.800 -0.092 0.000 1.105 129 F CA 1.738 59.691 58.000 -0.078 0.000 1.239 129 F CB -0.197 38.757 39.000 -0.077 0.000 0.991 129 F HN -0.010 nan 8.300 nan 0.000 0.474 130 R N 0.287 120.611 120.500 -0.294 0.000 2.105 130 R HA -0.154 4.191 4.340 0.007 0.000 0.239 130 R C 2.361 178.474 176.300 -0.311 0.000 1.135 130 R CA 1.247 57.132 56.100 -0.359 0.000 0.967 130 R CB -0.770 29.486 30.300 -0.073 0.000 0.861 130 R HN 0.428 nan 8.270 nan 0.000 0.442 131 A N -0.041 122.661 122.820 -0.197 0.000 2.066 131 A HA 0.013 4.337 4.320 0.007 0.000 0.218 131 A C 1.924 179.398 177.584 -0.184 0.000 1.157 131 A CA 1.459 53.411 52.037 -0.143 0.000 0.670 131 A CB -0.120 18.835 19.000 -0.074 0.000 0.804 131 A HN 0.451 nan 8.150 nan 0.000 0.453 132 G N -0.568 108.070 108.800 -0.270 0.000 3.228 132 G HA2 0.146 4.110 3.960 0.007 0.000 0.245 132 G HA3 0.146 4.110 3.960 0.007 0.000 0.245 132 G C 1.268 175.943 174.900 -0.375 0.000 1.051 132 G CA 0.388 45.336 45.100 -0.253 0.000 0.809 132 G HN 0.625 nan 8.290 nan 0.000 0.531 133 R N 0.256 120.385 120.500 -0.619 0.000 2.237 133 R HA 0.081 4.426 4.340 0.007 0.000 0.219 133 R C 1.449 177.272 176.300 -0.796 0.000 1.080 133 R CA 0.849 56.467 56.100 -0.803 0.000 0.995 133 R CB -0.359 29.213 30.300 -1.213 0.000 0.875 133 R HN 0.060 nan 8.270 nan 0.000 0.462 134 N N 1.004 119.429 118.700 -0.458 0.000 2.453 134 N HA -0.067 4.677 4.740 0.007 0.000 0.183 134 N C 1.728 177.149 175.510 -0.148 0.000 1.041 134 N CA 1.215 54.129 53.050 -0.227 0.000 0.900 134 N CB -0.049 38.421 38.487 -0.029 0.000 0.961 134 N HN 0.506 nan 8.380 nan 0.000 0.443 135 G N 2.202 110.892 108.800 -0.184 0.000 2.480 135 G HA2 -0.183 3.781 3.960 0.007 0.000 0.216 135 G HA3 -0.183 3.781 3.960 0.007 0.000 0.216 135 G C -0.745 174.094 174.900 -0.101 0.000 1.200 135 G CA 0.532 45.567 45.100 -0.109 0.000 0.782 135 G HN 0.323 nan 8.290 nan 0.000 0.554 136 P HA -0.081 nan 4.420 nan 0.000 0.217 136 P C 1.448 178.711 177.300 -0.061 0.000 1.150 136 P CA 1.122 64.142 63.100 -0.134 0.000 0.832 136 P CB -0.058 31.524 31.700 -0.198 0.000 0.787 137 H N -0.852 118.122 119.070 -0.160 0.000 2.321 137 H HA -0.037 4.525 4.556 0.010 0.000 0.300 137 H C 2.260 177.558 175.328 -0.050 0.000 1.087 137 H CA 1.808 57.753 56.048 -0.172 0.000 1.319 137 H CB -1.296 28.300 29.762 -0.276 0.000 1.379 137 H HN 0.113 nan 8.280 nan 0.000 0.501 138 G N 0.694 109.582 108.800 0.146 0.000 2.440 138 G HA2 -0.193 3.772 3.960 0.007 0.000 0.218 138 G HA3 -0.193 3.772 3.960 0.007 0.000 0.218 138 G C 1.908 176.891 174.900 0.139 0.000 1.154 138 G CA 0.926 46.141 45.100 0.192 0.000 0.767 138 G HN 0.358 nan 8.290 nan 0.000 0.552 139 I N 0.470 121.096 120.570 0.093 0.000 2.286 139 I HA -0.161 4.013 4.170 0.007 0.000 0.248 139 I C 2.867 179.041 176.117 0.095 0.000 1.115 139 I CA 0.722 62.094 61.300 0.120 0.000 1.392 139 I CB -0.211 37.829 38.000 0.067 0.000 1.065 139 I HN 0.110 nan 8.210 nan 0.000 0.418 140 M N 0.407 120.018 119.600 0.019 0.000 2.086 140 M HA -0.194 4.290 4.480 0.007 0.000 0.261 140 M C 2.032 178.220 176.300 -0.186 0.000 1.067 140 M CA 1.879 57.150 55.300 -0.048 0.000 1.116 140 M CB -1.606 30.988 32.600 -0.010 0.000 1.348 140 M HN 0.234 nan 8.290 nan 0.000 0.407 141 N N 0.176 118.677 118.700 -0.332 0.000 2.120 141 N HA -0.131 4.613 4.740 0.007 0.000 0.188 141 N C 1.515 176.692 175.510 -0.554 0.000 1.024 141 N CA 1.049 53.664 53.050 -0.724 0.000 0.852 141 N CB -0.587 37.067 38.487 -1.387 0.000 1.003 141 N HN 0.320 nan 8.380 nan 0.000 0.424 142 F N 1.644 121.334 119.950 -0.434 0.000 2.051 142 F HA -0.178 4.353 4.527 0.007 0.000 0.296 142 F C 2.554 178.366 175.800 0.020 0.000 1.122 142 F CA 1.564 59.556 58.000 -0.013 0.000 1.201 142 F CB -0.464 38.645 39.000 0.181 0.000 0.978 142 F HN 0.055 nan 8.300 nan 0.000 0.472 143 Q N 0.128 119.892 119.800 -0.060 0.000 2.061 143 Q HA -0.207 4.138 4.340 0.007 0.000 0.204 143 Q C 2.283 178.146 176.000 -0.229 0.000 0.984 143 Q CA 2.311 58.014 55.803 -0.166 0.000 0.846 143 Q CB -0.279 28.466 28.738 0.011 0.000 0.902 143 Q HN 0.502 nan 8.270 nan 0.000 0.421 144 S N 0.668 116.268 115.700 -0.167 0.000 2.353 144 S HA -0.199 4.275 4.470 0.007 0.000 0.222 144 S C 1.800 176.368 174.600 -0.053 0.000 1.035 144 S CA 1.708 59.841 58.200 -0.112 0.000 1.025 144 S CB -0.262 62.875 63.200 -0.105 0.000 0.902 144 S HN 0.372 nan 8.310 nan 0.000 0.440 145 K N 0.763 121.156 120.400 -0.011 0.000 2.007 145 K HA -0.048 4.277 4.320 0.007 0.000 0.206 145 K C 1.833 178.338 176.600 -0.159 0.000 1.047 145 K CA 1.157 57.395 56.287 -0.081 0.000 0.937 145 K CB -0.008 32.479 32.500 -0.023 0.000 0.718 145 K HN 0.123 nan 8.250 nan 0.000 0.438 146 E N 0.355 120.379 120.200 -0.293 0.000 2.230 146 E HA -0.097 4.257 4.350 0.007 0.000 0.192 146 E C 1.850 178.275 176.600 -0.291 0.000 0.987 146 E CA 1.013 57.218 56.400 -0.324 0.000 0.841 146 E CB 0.284 29.629 29.700 -0.592 0.000 0.783 146 E HN 0.484 nan 8.360 nan 0.000 0.481 147 Q N -0.442 119.166 119.800 -0.320 0.000 2.423 147 Q HA 0.236 4.580 4.340 0.007 0.000 0.231 147 Q C 2.062 177.972 176.000 -0.150 0.000 0.894 147 Q CA 0.110 55.799 55.803 -0.191 0.000 0.938 147 Q CB 0.646 29.292 28.738 -0.153 0.000 1.079 147 Q HN 0.154 nan 8.270 nan 0.000 0.552 148 L N 0.505 121.629 121.223 -0.166 0.000 2.554 148 L HA 0.133 4.477 4.340 0.007 0.000 0.225 148 L C -0.168 176.623 176.870 -0.133 0.000 1.104 148 L CA -0.077 54.670 54.840 -0.155 0.000 0.866 148 L CB 0.116 42.067 42.059 -0.182 0.000 1.047 148 L HN 0.212 nan 8.230 nan 0.000 0.468 149 N N 0.929 119.553 118.700 -0.126 0.000 2.754 149 N HA -0.153 4.591 4.740 0.007 0.000 0.248 149 N C -0.381 175.063 175.510 -0.111 0.000 1.093 149 N CA 0.692 53.675 53.050 -0.111 0.000 0.699 149 N CB -1.626 36.805 38.487 -0.093 0.000 1.016 149 N HN 0.289 nan 8.380 nan 0.000 0.552 150 L N 0.511 121.668 121.223 -0.110 0.000 2.375 150 L HA 0.301 4.646 4.340 0.007 0.000 0.271 150 L C 0.972 177.743 176.870 -0.164 0.000 1.107 150 L CA -0.239 54.548 54.840 -0.088 0.000 0.806 150 L CB 0.869 42.914 42.059 -0.023 0.000 1.146 150 L HN 0.002 nan 8.230 nan 0.000 0.447 151 E N 1.733 121.848 120.200 -0.142 0.000 2.191 151 E HA 0.509 4.863 4.350 0.007 0.000 0.278 151 E C -1.642 174.850 176.600 -0.180 0.000 0.972 151 E CA -0.453 55.797 56.400 -0.249 0.000 0.804 151 E CB 1.782 31.411 29.700 -0.118 0.000 1.110 151 E HN 0.401 nan 8.360 nan 0.000 0.394 152 Y N -0.511 119.630 120.300 -0.265 0.000 2.624 152 Y HA 0.593 5.143 4.550 0.001 0.000 0.334 152 Y C -1.415 174.314 175.900 -0.286 0.000 1.155 152 Y CA -1.296 56.642 58.100 -0.271 0.000 1.046 152 Y CB 0.887 39.210 38.460 -0.228 0.000 1.316 152 Y HN 0.316 nan 8.280 nan 0.000 0.457 153 I N 3.771 124.357 120.570 0.025 0.000 2.468 153 I HA 0.441 4.615 4.170 0.007 0.000 0.284 153 I C -1.023 175.125 176.117 0.051 0.000 1.038 153 I CA -0.522 60.792 61.300 0.023 0.000 1.083 153 I CB 1.499 39.487 38.000 -0.021 0.000 1.223 153 I HN 0.524 nan 8.210 nan 0.000 0.443 154 L N 5.076 126.355 121.223 0.092 0.000 2.313 154 L HA 0.540 4.884 4.340 0.007 0.000 0.268 154 L C 0.673 177.578 176.870 0.059 0.000 1.010 154 L CA -0.878 53.970 54.840 0.015 0.000 0.814 154 L CB 1.018 43.050 42.059 -0.045 0.000 1.304 154 L HN 0.644 nan 8.230 nan 0.000 0.441 155 N N 0.002 118.710 118.700 0.012 0.000 2.754 155 N HA -0.200 4.544 4.740 0.007 0.000 0.248 155 N C -1.099 174.437 175.510 0.044 0.000 1.093 155 N CA 0.516 53.592 53.050 0.043 0.000 0.699 155 N CB -0.841 37.714 38.487 0.112 0.000 1.016 155 N HN 0.696 nan 8.380 nan 0.000 0.552 156 C N 0.545 119.852 119.300 0.012 0.000 2.599 156 C HA 0.565 5.029 4.460 0.007 0.000 0.354 156 C C -2.552 172.429 174.990 -0.015 0.000 1.092 156 C CA -1.403 57.628 59.018 0.022 0.000 1.280 156 C CB 0.939 28.719 27.740 0.066 0.000 1.829 156 C HN 0.285 nan 8.230 nan 0.000 0.454 157 P HA 0.299 nan 4.420 nan 0.000 0.268 157 P C -0.614 176.675 177.300 -0.018 0.000 1.205 157 P CA 0.343 63.414 63.100 -0.048 0.000 0.771 157 P CB 0.669 32.340 31.700 -0.048 0.000 0.858 158 A N 3.744 126.549 122.820 -0.026 0.000 2.327 158 A HA 0.373 4.697 4.320 0.007 0.000 0.283 158 A C -0.130 177.456 177.584 0.003 0.000 1.127 158 A CA -0.332 51.704 52.037 -0.002 0.000 0.810 158 A CB 0.179 19.172 19.000 -0.013 0.000 1.066 158 A HN 0.451 nan 8.150 nan 0.000 0.492 159 K N 2.378 122.791 120.400 0.023 0.000 2.464 159 K HA 0.415 4.740 4.320 0.007 0.000 0.252 159 K C -1.190 175.425 176.600 0.026 0.000 1.000 159 K CA -0.530 55.769 56.287 0.019 0.000 0.951 159 K CB 1.762 34.276 32.500 0.024 0.000 1.183 159 K HN 0.406 nan 8.250 nan 0.000 0.445 160 V N 4.991 124.914 119.914 0.014 0.000 2.521 160 V HA 0.043 4.168 4.120 0.007 0.000 0.286 160 V C 1.469 177.573 176.094 0.017 0.000 1.034 160 V CA 0.286 62.594 62.300 0.015 0.000 1.045 160 V CB 0.468 32.291 31.823 -0.000 0.000 0.974 160 V HN 0.741 nan 8.190 nan 0.000 0.480 161 I N 2.822 123.408 120.570 0.028 0.000 2.512 161 I HA 0.115 4.290 4.170 0.007 0.000 0.247 161 I C 0.607 176.738 176.117 0.024 0.000 1.094 161 I CA 0.822 62.139 61.300 0.028 0.000 1.427 161 I CB 0.280 38.304 38.000 0.039 0.000 1.149 161 I HN 0.896 nan 8.210 nan 0.000 0.438 162 D N -1.918 118.498 120.400 0.027 0.000 2.768 162 D HA -0.008 4.636 4.640 0.007 0.000 0.327 162 D C -0.106 176.187 176.300 -0.012 0.000 1.302 162 D CA -0.678 53.332 54.000 0.018 0.000 0.897 162 D CB -0.265 40.561 40.800 0.043 0.000 1.420 162 D HN 0.133 nan 8.370 nan 0.000 0.494 163 N N -1.497 117.165 118.700 -0.063 0.000 2.635 163 N HA -0.156 4.588 4.740 0.007 0.000 0.191 163 N C 0.171 175.437 175.510 -0.407 0.000 1.155 163 N CA 0.818 53.741 53.050 -0.212 0.000 0.927 163 N CB -0.303 38.025 38.487 -0.265 0.000 0.976 163 N HN 0.396 nan 8.380 nan 0.000 0.448 164 H N -1.979 117.110 119.070 0.032 0.000 3.398 164 H HA 0.237 4.796 4.556 0.005 0.000 0.260 164 H C -0.688 174.675 175.328 0.059 0.000 1.189 164 H CA -0.190 55.886 56.048 0.046 0.000 1.145 164 H CB 1.261 31.050 29.762 0.045 0.000 1.599 164 H HN 0.102 nan 8.280 nan 0.000 0.615 165 T N 1.240 115.873 114.554 0.131 0.000 2.881 165 T HA 0.577 4.931 4.350 0.007 0.000 0.290 165 T C -0.814 173.939 174.700 0.089 0.000 1.000 165 T CA -0.674 61.497 62.100 0.117 0.000 0.978 165 T CB 2.432 71.359 68.868 0.099 0.000 0.997 165 T HN -0.140 nan 8.240 nan 0.000 0.443 166 V N 2.309 122.295 119.914 0.120 0.000 2.760 166 V HA 0.504 4.628 4.120 0.007 0.000 0.309 166 V C -0.310 175.887 176.094 0.172 0.000 1.077 166 V CA -0.990 61.379 62.300 0.114 0.000 0.910 166 V CB 2.104 33.978 31.823 0.086 0.000 1.008 166 V HN 0.956 nan 8.190 nan 0.000 0.424 167 E N 3.191 123.468 120.200 0.127 0.000 2.175 167 E HA 0.772 5.126 4.350 0.007 0.000 0.278 167 E C -0.683 176.022 176.600 0.174 0.000 0.969 167 E CA -0.456 56.027 56.400 0.138 0.000 0.796 167 E CB 1.685 31.429 29.700 0.072 0.000 1.104 167 E HN 0.954 nan 8.360 nan 0.000 0.395 168 A N 3.112 126.096 122.820 0.273 0.000 2.547 168 A HA 0.627 4.951 4.320 0.007 0.000 0.297 168 A C -0.075 177.700 177.584 0.317 0.000 1.056 168 A CA -0.115 52.080 52.037 0.263 0.000 0.688 168 A CB 1.334 20.473 19.000 0.232 0.000 1.282 168 A HN 1.395 nan 8.150 nan 0.000 0.400 169 A N 0.662 123.614 122.820 0.220 0.000 2.745 169 A HA 0.274 4.598 4.320 0.007 0.000 0.296 169 A C 2.095 179.743 177.584 0.107 0.000 1.500 169 A CA 2.005 54.154 52.037 0.187 0.000 0.766 169 A CB -1.768 17.418 19.000 0.311 0.000 1.030 169 A HN 3.160 nan 8.150 nan 0.000 0.489 170 G N -2.054 106.795 108.800 0.082 0.000 2.166 170 G HA2 -0.314 3.650 3.960 0.007 0.000 0.260 170 G HA3 -0.314 3.650 3.960 0.007 0.000 0.260 170 G C 0.100 175.001 174.900 0.002 0.000 0.986 170 G CA 1.366 46.485 45.100 0.031 0.000 0.683 170 G HN 1.197 nan 8.290 nan 0.000 0.527 171 K N -0.799 119.613 120.400 0.021 0.000 2.340 171 K HA 0.691 5.015 4.320 0.007 0.000 0.244 171 K C -0.506 175.976 176.600 -0.196 0.000 0.973 171 K CA -0.972 55.236 56.287 -0.133 0.000 0.828 171 K CB 2.881 35.248 32.500 -0.221 0.000 1.226 171 K HN 0.013 nan 8.250 nan 0.000 0.437 172 V N 2.647 122.364 119.914 -0.328 0.000 2.398 172 V HA 0.440 4.564 4.120 0.007 0.000 0.286 172 V C -0.973 174.885 176.094 -0.394 0.000 1.026 172 V CA -0.676 61.499 62.300 -0.208 0.000 0.868 172 V CB 0.477 32.245 31.823 -0.091 0.000 0.982 172 V HN 0.527 nan 8.190 nan 0.000 0.443 173 F N 3.522 123.513 119.950 0.068 0.000 2.508 173 F HA 0.623 5.142 4.527 -0.013 0.000 0.325 173 F C 0.405 176.262 175.800 0.096 0.000 1.090 173 F CA -0.824 57.232 58.000 0.093 0.000 0.945 173 F CB 1.857 40.867 39.000 0.016 0.000 1.156 173 F HN 0.212 nan 8.300 nan 0.000 0.463 174 K N 1.838 122.431 120.400 0.320 0.000 2.156 174 K HA 0.917 5.241 4.320 0.007 0.000 0.250 174 K C -0.844 175.936 176.600 0.299 0.000 0.955 174 K CA -0.772 55.662 56.287 0.245 0.000 0.855 174 K CB 2.173 34.775 32.500 0.170 0.000 1.101 174 K HN 0.764 nan 8.250 nan 0.000 0.434 175 A N 1.302 124.274 122.820 0.254 0.000 2.606 175 A HA 0.357 4.681 4.320 0.007 0.000 0.293 175 A C 0.041 177.793 177.584 0.280 0.000 1.082 175 A CA -0.637 51.552 52.037 0.254 0.000 0.685 175 A CB 1.154 20.262 19.000 0.180 0.000 1.284 175 A HN 0.631 nan 8.150 nan 0.000 0.408 176 K N 0.316 120.853 120.400 0.230 0.000 2.288 176 K HA 0.052 4.377 4.320 0.007 0.000 0.201 176 K C 0.137 176.899 176.600 0.270 0.000 1.048 176 K CA 1.029 57.468 56.287 0.254 0.000 0.956 176 K CB 0.014 32.604 32.500 0.150 0.000 0.746 176 K HN 0.622 nan 8.250 nan 0.000 0.461 177 N N -0.200 118.588 118.700 0.147 0.000 2.708 177 N HA 0.343 5.087 4.740 0.007 0.000 0.257 177 N C -1.398 174.099 175.510 -0.023 0.000 1.373 177 N CA -0.611 52.477 53.050 0.064 0.000 0.843 177 N CB 1.958 40.509 38.487 0.107 0.000 1.503 177 N HN -0.152 nan 8.380 nan 0.000 0.504 178 L N 1.293 122.492 121.223 -0.040 0.000 2.354 178 L HA 0.638 4.983 4.340 0.007 0.000 0.269 178 L C -0.647 176.162 176.870 -0.102 0.000 1.005 178 L CA -0.757 54.025 54.840 -0.098 0.000 0.819 178 L CB 2.170 44.183 42.059 -0.078 0.000 1.311 178 L HN 0.389 nan 8.230 nan 0.000 0.423 179 I N 3.707 124.117 120.570 -0.266 0.000 2.439 179 I HA 0.308 4.482 4.170 0.007 0.000 0.283 179 I C -0.567 175.480 176.117 -0.117 0.000 1.023 179 I CA -0.407 60.736 61.300 -0.262 0.000 1.100 179 I CB 1.764 39.324 38.000 -0.733 0.000 1.238 179 I HN 0.342 nan 8.210 nan 0.000 0.445 180 L N 6.286 127.502 121.223 -0.012 0.000 2.313 180 L HA 0.547 4.892 4.340 0.007 0.000 0.282 180 L C 0.669 177.573 176.870 0.056 0.000 1.092 180 L CA -0.128 54.722 54.840 0.018 0.000 0.831 180 L CB 0.993 43.060 42.059 0.013 0.000 1.159 180 L HN 0.739 nan 8.230 nan 0.000 0.442 181 A N 3.010 125.874 122.820 0.073 0.000 3.045 181 A HA 0.344 4.668 4.320 0.007 0.000 0.244 181 A C 0.646 178.269 177.584 0.065 0.000 0.917 181 A CA -0.265 51.829 52.037 0.095 0.000 1.075 181 A CB 0.206 19.306 19.000 0.167 0.000 1.202 181 A HN 0.575 nan 8.150 nan 0.000 0.486 182 V N -2.820 117.115 119.914 0.035 0.000 3.623 182 V HA 0.495 4.619 4.120 0.007 0.000 0.271 182 V C 1.261 177.365 176.094 0.016 0.000 1.248 182 V CA 0.544 62.848 62.300 0.007 0.000 1.156 182 V CB -1.512 30.300 31.823 -0.019 0.000 0.870 182 V HN 1.801 nan 8.190 nan 0.000 0.453 183 G N 0.276 109.100 108.800 0.040 0.000 2.569 183 G HA2 0.207 4.172 3.960 0.007 0.000 0.259 183 G HA3 0.207 4.172 3.960 0.007 0.000 0.259 183 G C -0.026 174.899 174.900 0.041 0.000 1.263 183 G CA 0.137 45.268 45.100 0.052 0.000 0.928 183 G HN 1.964 nan 8.290 nan 0.000 0.572 184 A N -1.239 121.617 122.820 0.060 0.000 2.515 184 A HA 0.988 5.313 4.320 0.007 0.000 0.296 184 A C 0.283 177.917 177.584 0.084 0.000 1.094 184 A CA 0.703 52.774 52.037 0.055 0.000 0.718 184 A CB 1.519 20.549 19.000 0.050 0.000 1.307 184 A HN 2.439 nan 8.150 nan 0.000 0.408 185 G N 0.147 108.986 108.800 0.064 0.000 2.434 185 G HA2 0.640 4.604 3.960 0.007 0.000 0.330 185 G HA3 0.640 4.604 3.960 0.007 0.000 0.330 185 G C -3.057 171.896 174.900 0.089 0.000 1.155 185 G CA -1.811 43.333 45.100 0.074 0.000 0.917 185 G HN 0.443 nan 8.290 nan 0.000 0.493 186 P HA 0.163 nan 4.420 nan 0.000 0.265 186 P C 0.670 177.982 177.300 0.020 0.000 1.193 186 P CA 0.196 63.346 63.100 0.084 0.000 0.765 186 P CB 0.858 32.553 31.700 -0.007 0.000 0.823 187 G N 1.631 110.438 108.800 0.012 0.000 2.539 187 G HA2 0.452 4.416 3.960 0.007 0.000 0.258 187 G HA3 0.452 4.416 3.960 0.007 0.000 0.258 187 G C -0.407 174.467 174.900 -0.043 0.000 1.202 187 G CA 0.052 45.144 45.100 -0.013 0.000 0.851 187 G HN 0.498 nan 8.290 nan 0.000 0.556 188 T N -0.638 113.890 114.554 -0.043 0.000 2.716 188 T HA 0.637 4.991 4.350 0.007 0.000 0.286 188 T C -0.727 173.944 174.700 -0.049 0.000 1.052 188 T CA -0.680 61.385 62.100 -0.059 0.000 1.024 188 T CB 0.981 69.814 68.868 -0.059 0.000 1.349 188 T HN 0.320 nan 8.240 nan 0.000 0.525 189 L N 1.664 122.855 121.223 -0.053 0.000 2.330 189 L HA 0.522 4.866 4.340 0.007 0.000 0.271 189 L C -0.630 176.217 176.870 -0.038 0.000 1.013 189 L CA -0.847 53.968 54.840 -0.042 0.000 0.816 189 L CB 1.679 43.711 42.059 -0.045 0.000 1.287 189 L HN 0.632 nan 8.230 nan 0.000 0.435 190 D N 2.452 122.835 120.400 -0.029 0.000 2.557 190 D HA 0.381 5.025 4.640 0.007 0.000 0.236 190 D C -0.912 175.373 176.300 -0.025 0.000 1.154 190 D CA -0.123 53.861 54.000 -0.026 0.000 0.985 190 D CB 0.348 41.135 40.800 -0.021 0.000 1.010 190 D HN 0.249 nan 8.370 nan 0.000 0.516 191 V N -0.019 119.877 119.914 -0.029 0.000 3.078 191 V HA 0.769 4.893 4.120 0.007 0.000 0.311 191 V C -2.746 173.330 176.094 -0.030 0.000 1.138 191 V CA -2.133 60.151 62.300 -0.027 0.000 1.007 191 V CB 1.876 33.682 31.823 -0.027 0.000 1.045 191 V HN 0.071 nan 8.190 nan 0.000 0.432 192 P HA 0.357 nan 4.420 nan 0.000 0.271 192 P C 0.836 178.117 177.300 -0.032 0.000 1.216 192 P CA 1.430 64.514 63.100 -0.027 0.000 0.771 192 P CB 1.111 32.798 31.700 -0.022 0.000 0.864 193 G N 1.808 110.586 108.800 -0.036 0.000 2.176 193 G HA2 -0.319 3.646 3.960 0.007 0.000 0.253 193 G HA3 -0.319 3.646 3.960 0.007 0.000 0.253 193 G C 0.806 175.671 174.900 -0.058 0.000 0.979 193 G CA 0.121 45.194 45.100 -0.044 0.000 0.641 193 G HN 0.506 nan 8.290 nan 0.000 0.530 194 V N 0.404 120.283 119.914 -0.058 0.000 2.828 194 V HA -0.064 4.060 4.120 0.007 0.000 0.260 194 V C 1.876 177.915 176.094 -0.091 0.000 1.101 194 V CA 2.872 65.128 62.300 -0.074 0.000 1.123 194 V CB -0.370 31.413 31.823 -0.066 0.000 0.704 194 V HN 0.586 nan 8.190 nan 0.000 0.493 195 N N 0.182 118.834 118.700 -0.079 0.000 2.270 195 N HA 0.373 5.117 4.740 0.007 0.000 0.198 195 N C 0.335 175.789 175.510 -0.093 0.000 1.117 195 N CA 0.432 53.431 53.050 -0.086 0.000 0.845 195 N CB 0.299 38.748 38.487 -0.062 0.000 0.980 195 N HN 0.529 nan 8.380 nan 0.000 0.486 196 A N 0.955 123.719 122.820 -0.094 0.000 2.406 196 A HA 0.153 4.477 4.320 0.007 0.000 0.243 196 A C 0.369 177.876 177.584 -0.129 0.000 1.082 196 A CA -0.088 51.895 52.037 -0.090 0.000 0.786 196 A CB 0.389 19.345 19.000 -0.074 0.000 1.029 196 A HN 0.178 nan 8.150 nan 0.000 0.495 197 K N -0.200 120.133 120.400 -0.111 0.000 2.355 197 K HA 0.402 4.726 4.320 0.007 0.000 0.270 197 K C 1.082 177.607 176.600 -0.125 0.000 1.003 197 K CA 0.989 57.197 56.287 -0.132 0.000 0.957 197 K CB 0.451 32.909 32.500 -0.071 0.000 0.939 197 K HN 1.369 nan 8.250 nan 0.000 0.482 198 G N 0.403 109.105 108.800 -0.163 0.000 2.195 198 G HA2 -0.215 3.749 3.960 0.007 0.000 0.224 198 G HA3 -0.215 3.749 3.960 0.007 0.000 0.224 198 G C -0.189 174.619 174.900 -0.153 0.000 0.990 198 G CA -0.283 44.892 45.100 0.125 0.000 0.639 198 G HN 0.400 nan 8.290 nan 0.000 0.514 199 V N 1.559 121.192 119.914 -0.468 0.000 2.370 199 V HA 0.795 4.920 4.120 0.007 0.000 0.279 199 V C -0.087 175.625 176.094 -0.636 0.000 1.029 199 V CA -0.364 61.700 62.300 -0.393 0.000 0.870 199 V CB 0.895 32.563 31.823 -0.259 0.000 0.984 199 V HN 0.233 nan 8.190 nan 0.000 0.451 200 F N 2.537 122.358 119.950 -0.215 0.000 2.640 200 F HA 0.734 5.265 4.527 0.006 0.000 0.324 200 F C -0.096 175.484 175.800 -0.368 0.000 1.077 200 F CA -0.880 57.031 58.000 -0.149 0.000 0.965 200 F CB 2.059 41.075 39.000 0.027 0.000 1.351 200 F HN 0.637 nan 8.300 nan 0.000 0.487 201 D N -2.600 117.740 120.400 -0.100 0.000 2.636 201 D HA 0.169 4.813 4.640 0.007 0.000 0.275 201 D C 0.739 176.994 176.300 -0.074 0.000 1.130 201 D CA -0.566 53.157 54.000 -0.461 0.000 1.031 201 D CB 0.209 40.832 40.800 -0.295 0.000 1.451 201 D HN 0.618 nan 8.370 nan 0.000 0.505 202 H N -0.605 118.436 119.070 -0.049 0.000 2.390 202 H HA -0.141 4.419 4.556 0.007 0.000 0.298 202 H C 1.361 176.837 175.328 0.247 0.000 1.106 202 H CA 1.867 58.015 56.048 0.167 0.000 1.297 202 H CB -0.474 29.323 29.762 0.059 0.000 1.375 202 H HN 0.436 nan 8.280 nan 0.000 0.509 203 A N 1.393 123.871 122.820 -0.569 0.000 1.854 203 A HA -0.137 4.187 4.320 0.007 0.000 0.214 203 A C 2.760 180.407 177.584 0.106 0.000 1.192 203 A CA 2.392 54.306 52.037 -0.205 0.000 0.611 203 A CB -1.123 17.723 19.000 -0.258 0.000 0.832 203 A HN 0.690 nan 8.150 nan 0.000 0.442 204 T N -1.990 112.644 114.554 0.133 0.000 2.995 204 T HA -0.049 4.306 4.350 0.007 0.000 0.269 204 T C 1.711 176.681 174.700 0.450 0.000 1.091 204 T CA 1.220 63.489 62.100 0.282 0.000 1.128 204 T CB -0.394 68.618 68.868 0.241 0.000 0.891 204 T HN 0.175 nan 8.240 nan 0.000 0.492 205 L N 2.565 124.044 121.223 0.427 0.000 2.079 205 L HA 0.033 4.377 4.340 0.007 0.000 0.210 205 L C 2.351 179.360 176.870 0.230 0.000 1.081 205 L CA 1.707 56.713 54.840 0.277 0.000 0.752 205 L CB -0.494 41.808 42.059 0.405 0.000 0.896 205 L HN 0.392 nan 8.230 nan 0.000 0.433 206 V N -4.375 115.719 119.914 0.301 0.000 3.633 206 V HA 0.210 4.335 4.120 0.007 0.000 0.283 206 V C 1.405 177.648 176.094 0.249 0.000 1.305 206 V CA 0.546 63.034 62.300 0.313 0.000 1.153 206 V CB -0.403 31.661 31.823 0.402 0.000 0.950 206 V HN 0.409 nan 8.190 nan 0.000 0.432 207 E N 0.905 121.257 120.200 0.253 0.000 2.414 207 E HA 0.177 4.532 4.350 0.007 0.000 0.208 207 E C 1.023 177.769 176.600 0.243 0.000 0.820 207 E CA 0.508 57.051 56.400 0.238 0.000 1.143 207 E CB 0.628 30.483 29.700 0.259 0.000 1.150 207 E HN 0.793 nan 8.360 nan 0.000 0.540 208 E N 0.755 121.143 120.200 0.314 0.000 2.693 208 E HA 0.131 4.485 4.350 0.007 0.000 0.214 208 E C -0.221 176.653 176.600 0.457 0.000 0.990 208 E CA -0.199 56.424 56.400 0.372 0.000 1.047 208 E CB 0.738 30.674 29.700 0.394 0.000 1.039 208 E HN -0.124 nan 8.360 nan 0.000 0.475 209 L N 3.139 124.507 121.223 0.242 0.000 2.385 209 L HA 0.117 4.461 4.340 0.007 0.000 0.285 209 L C 0.109 177.029 176.870 0.084 0.000 1.125 209 L CA 0.174 55.037 54.840 0.038 0.000 0.890 209 L CB 0.158 42.065 42.059 -0.254 0.000 1.251 209 L HN -0.012 nan 8.230 nan 0.000 0.445 210 D N 2.652 123.188 120.400 0.227 0.000 2.402 210 D HA 0.076 4.721 4.640 0.007 0.000 0.216 210 D C -0.239 176.210 176.300 0.248 0.000 1.128 210 D CA -0.020 54.106 54.000 0.209 0.000 0.833 210 D CB -0.337 40.600 40.800 0.228 0.000 0.971 210 D HN 0.445 nan 8.370 nan 0.000 0.503 211 Y N -1.981 118.374 120.300 0.092 0.000 2.644 211 Y HA 0.716 5.270 4.550 0.007 0.000 0.338 211 Y C -1.029 174.869 175.900 -0.004 0.000 1.119 211 Y CA -1.790 56.343 58.100 0.055 0.000 1.060 211 Y CB 1.003 39.513 38.460 0.083 0.000 1.294 211 Y HN -0.249 nan 8.280 nan 0.000 0.472 212 E N 2.932 123.129 120.200 -0.004 0.000 2.115 212 E HA 0.497 4.851 4.350 0.007 0.000 0.282 212 E C -2.752 173.796 176.600 -0.086 0.000 0.987 212 E CA -2.618 53.687 56.400 -0.158 0.000 0.797 212 E CB 0.982 30.645 29.700 -0.061 0.000 1.086 212 E HN 0.468 nan 8.360 nan 0.000 0.397 213 P HA 0.098 nan 4.420 nan 0.000 0.267 213 P C 0.068 177.333 177.300 -0.058 0.000 1.201 213 P CA 0.114 63.094 63.100 -0.199 0.000 0.775 213 P CB 0.786 32.025 31.700 -0.768 0.000 0.854 214 G N 0.468 109.301 108.800 0.055 0.000 2.486 214 G HA2 0.131 4.096 3.960 0.007 0.000 0.272 214 G HA3 0.131 4.096 3.960 0.007 0.000 0.272 214 G C 1.089 175.979 174.900 -0.017 0.000 1.426 214 G CA 0.158 45.276 45.100 0.030 0.000 1.058 214 G HN 0.512 nan 8.290 nan 0.000 0.531 215 S N -2.068 113.630 115.700 -0.004 0.000 2.561 215 S HA 0.119 4.593 4.470 0.007 0.000 0.225 215 S C 0.736 175.335 174.600 -0.003 0.000 0.977 215 S CA 0.756 58.947 58.200 -0.014 0.000 0.926 215 S CB -0.024 63.172 63.200 -0.007 0.000 0.769 215 S HN 0.416 nan 8.310 nan 0.000 0.533 216 T N 1.714 116.280 114.554 0.021 0.000 2.848 216 T HA 0.649 5.004 4.350 0.007 0.000 0.285 216 T C -1.017 173.729 174.700 0.077 0.000 0.995 216 T CA -0.553 61.572 62.100 0.041 0.000 0.970 216 T CB 1.981 70.875 68.868 0.044 0.000 0.976 216 T HN 0.033 nan 8.240 nan 0.000 0.441 217 V N 3.135 123.101 119.914 0.087 0.000 2.604 217 V HA 0.598 4.722 4.120 0.007 0.000 0.305 217 V C -0.495 175.675 176.094 0.127 0.000 1.043 217 V CA -0.768 61.619 62.300 0.144 0.000 0.888 217 V CB 2.167 34.060 31.823 0.117 0.000 0.995 217 V HN 0.706 nan 8.190 nan 0.000 0.429 218 V N 4.970 124.951 119.914 0.113 0.000 2.448 218 V HA 0.531 4.655 4.120 0.007 0.000 0.295 218 V C -0.323 175.845 176.094 0.123 0.000 1.025 218 V CA -0.525 61.833 62.300 0.096 0.000 0.859 218 V CB 1.972 33.830 31.823 0.057 0.000 0.988 218 V HN 0.606 nan 8.190 nan 0.000 0.431 219 V N 5.627 125.643 119.914 0.170 0.000 2.513 219 V HA 0.510 4.634 4.120 0.007 0.000 0.299 219 V C -0.281 175.904 176.094 0.152 0.000 1.035 219 V CA -0.592 61.856 62.300 0.245 0.000 0.889 219 V CB 2.196 34.223 31.823 0.339 0.000 0.988 219 V HN 0.605 nan 8.190 nan 0.000 0.440 220 V N 3.815 123.797 119.914 0.114 0.000 2.398 220 V HA 0.980 5.104 4.120 0.007 0.000 0.286 220 V C 0.482 176.613 176.094 0.060 0.000 1.026 220 V CA 0.369 62.702 62.300 0.055 0.000 0.868 220 V CB 0.819 32.642 31.823 0.000 0.000 0.982 220 V HN 1.302 nan 8.190 nan 0.000 0.443 221 G N 3.314 112.149 108.800 0.059 0.000 2.375 221 G HA2 0.416 4.380 3.960 0.007 0.000 0.663 221 G HA3 0.416 4.380 3.960 0.007 0.000 0.663 221 G C -0.021 174.921 174.900 0.069 0.000 1.391 221 G CA -0.211 44.923 45.100 0.057 0.000 0.949 221 G HN 1.209 nan 8.290 nan 0.000 0.646 222 G N -0.759 108.074 108.800 0.054 0.000 4.165 222 G HA2 0.596 4.561 3.960 0.007 0.000 0.287 222 G HA3 0.596 4.561 3.960 0.007 0.000 0.287 222 G C 0.402 175.329 174.900 0.044 0.000 1.019 222 G CA 1.603 46.733 45.100 0.050 0.000 0.806 222 G HN 1.201 nan 8.290 nan 0.000 0.447 223 S N -0.639 115.091 115.700 0.050 0.000 2.702 223 S HA 0.421 4.895 4.470 0.007 0.000 0.272 223 S C 1.651 176.278 174.600 0.046 0.000 1.068 223 S CA -0.375 57.850 58.200 0.042 0.000 0.964 223 S CB 0.931 64.154 63.200 0.038 0.000 1.307 223 S HN 0.101 nan 8.310 nan 0.000 0.567 224 K N 0.208 120.625 120.400 0.029 0.000 2.000 224 K HA -0.126 4.199 4.320 0.007 0.000 0.218 224 K C 2.117 178.720 176.600 0.004 0.000 1.053 224 K CA 2.297 58.580 56.287 -0.006 0.000 0.946 224 K CB -1.050 31.420 32.500 -0.049 0.000 0.723 224 K HN 0.543 nan 8.250 nan 0.000 0.446 225 T N 1.194 115.770 114.554 0.036 0.000 2.665 225 T HA -0.206 4.149 4.350 0.007 0.000 0.268 225 T C 2.019 176.882 174.700 0.271 0.000 1.035 225 T CA 1.621 63.804 62.100 0.139 0.000 1.151 225 T CB -0.399 68.530 68.868 0.102 0.000 0.862 225 T HN 0.408 nan 8.240 nan 0.000 0.438 226 A N 0.868 123.819 122.820 0.218 0.000 1.883 226 A HA -0.078 4.246 4.320 0.007 0.000 0.217 226 A C 2.619 180.319 177.584 0.193 0.000 1.186 226 A CA 1.655 53.849 52.037 0.262 0.000 0.624 226 A CB -1.067 18.041 19.000 0.179 0.000 0.822 226 A HN 0.363 nan 8.150 nan 0.000 0.444 227 V N -0.123 119.860 119.914 0.114 0.000 2.358 227 V HA -0.244 3.880 4.120 0.007 0.000 0.246 227 V C 2.403 178.504 176.094 0.011 0.000 1.047 227 V CA 2.259 64.597 62.300 0.063 0.000 1.035 227 V CB -0.854 31.000 31.823 0.051 0.000 0.658 227 V HN 0.639 nan 8.190 nan 0.000 0.452 228 E N -0.797 119.404 120.200 0.002 0.000 2.031 228 E HA -0.220 4.135 4.350 0.007 0.000 0.193 228 E C 2.148 178.608 176.600 -0.233 0.000 0.994 228 E CA 1.855 58.194 56.400 -0.102 0.000 0.800 228 E CB -0.270 29.292 29.700 -0.230 0.000 0.752 228 E HN 0.705 nan 8.360 nan 0.000 0.447 229 Y N 0.111 120.233 120.300 -0.296 0.000 2.242 229 Y HA -0.094 4.460 4.550 0.007 0.000 0.291 229 Y C 2.483 177.931 175.900 -0.754 0.000 1.137 229 Y CA 0.942 58.640 58.100 -0.669 0.000 1.181 229 Y CB -0.419 37.451 38.460 -0.984 0.000 0.989 229 Y HN 0.116 nan 8.280 nan 0.000 0.527 230 G N -1.048 107.684 108.800 -0.112 0.000 2.418 230 G HA2 -0.251 3.713 3.960 0.007 0.000 0.217 230 G HA3 -0.251 3.713 3.960 0.007 0.000 0.217 230 G C 1.645 176.514 174.900 -0.052 0.000 1.158 230 G CA 1.254 46.387 45.100 0.056 0.000 0.771 230 G HN 0.444 nan 8.290 nan 0.000 0.545 231 C N -0.077 119.124 119.300 -0.166 0.000 2.440 231 C HA 0.043 4.507 4.460 0.007 0.000 0.278 231 C C 2.405 177.230 174.990 -0.274 0.000 1.295 231 C CA 0.566 59.371 59.018 -0.355 0.000 1.738 231 C CB -1.159 26.181 27.740 -0.666 0.000 1.987 231 C HN 0.473 nan 8.230 nan 0.000 0.492 232 F N 1.627 121.321 119.950 -0.427 0.000 2.075 232 F HA -0.103 4.428 4.527 0.007 0.000 0.297 232 F C 1.916 177.573 175.800 -0.239 0.000 1.113 232 F CA 1.551 59.315 58.000 -0.393 0.000 1.218 232 F CB -0.935 37.685 39.000 -0.634 0.000 0.984 232 F HN 0.163 nan 8.300 nan 0.000 0.472 233 F N 1.020 120.691 119.950 -0.466 0.000 2.091 233 F HA -0.223 4.308 4.527 0.006 0.000 0.299 233 F C 2.484 178.092 175.800 -0.320 0.000 1.103 233 F CA 1.656 59.353 58.000 -0.504 0.000 1.228 233 F CB -1.932 36.960 39.000 -0.180 0.000 0.984 233 F HN 0.199 nan 8.300 nan 0.000 0.477 234 N N 0.441 119.159 118.700 0.031 0.000 2.120 234 N HA -0.168 4.576 4.740 0.007 0.000 0.188 234 N C 1.821 177.351 175.510 0.033 0.000 1.024 234 N CA 1.530 54.617 53.050 0.061 0.000 0.852 234 N CB -0.333 38.242 38.487 0.146 0.000 1.003 234 N HN 0.149 nan 8.380 nan 0.000 0.424 235 A N -0.416 122.436 122.820 0.054 0.000 2.019 235 A HA -0.136 4.188 4.320 0.007 0.000 0.219 235 A C 2.207 179.753 177.584 -0.062 0.000 1.164 235 A CA 2.027 54.100 52.037 0.060 0.000 0.644 235 A CB -1.486 17.606 19.000 0.154 0.000 0.805 235 A HN 0.648 nan 8.150 nan 0.000 0.449 236 T N -4.063 110.368 114.554 -0.204 0.000 3.098 236 T HA 0.323 4.677 4.350 0.007 0.000 0.266 236 T C 1.338 175.968 174.700 -0.116 0.000 1.145 236 T CA 1.262 63.241 62.100 -0.201 0.000 1.092 236 T CB -0.218 68.440 68.868 -0.349 0.000 0.908 236 T HN 1.723 nan 8.240 nan 0.000 0.526 237 G N 0.928 109.678 108.800 -0.084 0.000 2.138 237 G HA2 -0.165 3.800 3.960 0.007 0.000 0.193 237 G HA3 -0.165 3.800 3.960 0.007 0.000 0.193 237 G C -0.042 174.828 174.900 -0.051 0.000 0.998 237 G CA -0.481 44.585 45.100 -0.056 0.000 0.668 237 G HN 0.667 nan 8.290 nan 0.000 0.516 238 R N 0.022 120.489 120.500 -0.055 0.000 2.474 238 R HA 0.551 4.895 4.340 0.007 0.000 0.295 238 R C 0.675 176.975 176.300 0.000 0.000 0.980 238 R CA -0.906 55.171 56.100 -0.038 0.000 0.934 238 R CB 1.223 31.483 30.300 -0.068 0.000 1.101 238 R HN 0.243 nan 8.270 nan 0.000 0.469 239 R N 1.550 122.054 120.500 0.008 0.000 2.449 239 R HA 0.039 4.383 4.340 0.007 0.000 0.296 239 R C -1.010 175.319 176.300 0.048 0.000 1.047 239 R CA 0.642 56.756 56.100 0.024 0.000 1.018 239 R CB 0.482 30.794 30.300 0.020 0.000 0.962 239 R HN 0.499 nan 8.270 nan 0.000 0.428 240 T N 4.408 119.002 114.554 0.065 0.000 2.840 240 T HA 0.313 4.668 4.350 0.007 0.000 0.287 240 T C -0.889 173.865 174.700 0.091 0.000 0.991 240 T CA -0.589 61.571 62.100 0.100 0.000 0.964 240 T CB 1.654 70.603 68.868 0.136 0.000 0.954 240 T HN 0.317 nan 8.240 nan 0.000 0.438 241 V N 4.977 124.947 119.914 0.093 0.000 2.417 241 V HA 0.498 4.622 4.120 0.007 0.000 0.291 241 V C -0.128 176.021 176.094 0.092 0.000 1.024 241 V CA -0.774 61.572 62.300 0.077 0.000 0.861 241 V CB 1.498 33.356 31.823 0.058 0.000 0.985 241 V HN 0.861 nan 8.190 nan 0.000 0.436 242 M N 5.853 125.503 119.600 0.084 0.000 2.205 242 M HA 0.543 5.027 4.480 0.007 0.000 0.344 242 M C -1.005 175.333 176.300 0.064 0.000 1.085 242 M CA -0.366 54.988 55.300 0.090 0.000 1.001 242 M CB 1.638 34.293 32.600 0.092 0.000 1.626 242 M HN 0.415 nan 8.290 nan 0.000 0.442 243 L N 4.615 125.874 121.223 0.060 0.000 2.272 243 L HA 0.468 4.812 4.340 0.007 0.000 0.284 243 L C -0.729 176.162 176.870 0.036 0.000 1.045 243 L CA -0.827 54.037 54.840 0.040 0.000 0.842 243 L CB 0.782 42.860 42.059 0.031 0.000 1.224 243 L HN 0.409 nan 8.230 nan 0.000 0.430 244 V N 3.644 123.576 119.914 0.030 0.000 2.394 244 V HA 0.251 4.375 4.120 0.007 0.000 0.282 244 V C 1.215 177.319 176.094 0.016 0.000 1.031 244 V CA -0.546 61.770 62.300 0.025 0.000 0.881 244 V CB 1.601 33.439 31.823 0.024 0.000 0.982 244 V HN 0.758 nan 8.190 nan 0.000 0.451 245 R N 2.813 123.321 120.500 0.013 0.000 2.073 245 R HA -0.129 4.216 4.340 0.007 0.000 0.234 245 R C 1.675 177.979 176.300 0.005 0.000 1.134 245 R CA 2.331 58.435 56.100 0.007 0.000 0.952 245 R CB 0.082 30.385 30.300 0.005 0.000 0.850 245 R HN 0.967 nan 8.270 nan 0.000 0.433 246 T N -2.513 112.045 114.554 0.006 0.000 2.709 246 T HA 0.258 4.612 4.350 0.007 0.000 0.174 246 T C -0.160 174.541 174.700 0.002 0.000 0.774 246 T CA -0.721 61.381 62.100 0.002 0.000 1.309 246 T CB 0.251 69.120 68.868 0.001 0.000 2.586 246 T HN -0.078 nan 8.240 nan 0.000 0.401 247 E N 2.414 122.614 120.200 -0.000 0.000 2.256 247 E HA 0.539 4.894 4.350 0.007 0.000 0.267 247 E C -2.723 173.876 176.600 -0.001 0.000 0.892 247 E CA -2.683 53.715 56.400 -0.003 0.000 0.775 247 E CB 1.815 31.509 29.700 -0.011 0.000 1.207 247 E HN 0.413 nan 8.360 nan 0.000 0.420 248 P HA 0.229 nan 4.420 nan 0.000 0.278 248 P C 0.207 177.502 177.300 -0.009 0.000 1.238 248 P CA -0.333 62.769 63.100 0.004 0.000 0.794 248 P CB 0.834 32.541 31.700 0.011 0.000 0.955 249 L N 0.144 121.364 121.223 -0.006 0.000 3.739 249 L HA -0.253 4.092 4.340 0.007 0.000 0.442 249 L C 1.342 178.174 176.870 -0.062 0.000 1.241 249 L CA 0.455 55.278 54.840 -0.028 0.000 0.819 249 L CB -1.556 40.484 42.059 -0.030 0.000 1.679 249 L HN 0.529 nan 8.230 nan 0.000 0.889 250 K N -0.025 120.349 120.400 -0.043 0.000 2.362 250 K HA -0.046 4.278 4.320 0.007 0.000 0.200 250 K C 1.875 178.427 176.600 -0.080 0.000 1.046 250 K CA 0.833 57.089 56.287 -0.051 0.000 0.952 250 K CB 0.037 32.523 32.500 -0.023 0.000 0.753 250 K HN 0.495 nan 8.250 nan 0.000 0.466 251 L N 0.942 122.114 121.223 -0.086 0.000 2.191 251 L HA -0.080 4.264 4.340 0.007 0.000 0.212 251 L C 0.929 177.546 176.870 -0.421 0.000 1.103 251 L CA 0.681 55.450 54.840 -0.118 0.000 0.769 251 L CB -0.135 41.932 42.059 0.013 0.000 0.908 251 L HN 0.146 nan 8.230 nan 0.000 0.438 252 I N 0.540 120.830 120.570 -0.467 0.000 2.260 252 I HA -0.024 4.151 4.170 0.007 0.000 0.297 252 I C 1.113 177.060 176.117 -0.283 0.000 1.143 252 I CA 0.074 61.023 61.300 -0.586 0.000 1.271 252 I CB 0.549 38.322 38.000 -0.377 0.000 1.461 252 I HN 0.108 nan 8.210 nan 0.000 0.530 253 K N 2.585 122.857 120.400 -0.213 0.000 2.148 253 K HA -0.125 4.200 4.320 0.007 0.000 0.204 253 K C 0.484 177.014 176.600 -0.118 0.000 1.050 253 K CA 0.833 57.057 56.287 -0.104 0.000 0.942 253 K CB -0.091 32.394 32.500 -0.025 0.000 0.724 253 K HN 0.492 nan 8.250 nan 0.000 0.446 254 D N 1.095 121.383 120.400 -0.187 0.000 2.346 254 D HA -0.006 4.638 4.640 0.007 0.000 0.260 254 D C 0.679 176.879 176.300 -0.167 0.000 1.252 254 D CA -0.029 53.812 54.000 -0.265 0.000 0.895 254 D CB 0.526 40.964 40.800 -0.604 0.000 1.097 254 D HN -0.021 nan 8.370 nan 0.000 0.489 255 N N 3.257 121.883 118.700 -0.122 0.000 2.104 255 N HA -0.207 4.537 4.740 0.007 0.000 0.190 255 N C 1.341 176.777 175.510 -0.123 0.000 1.024 255 N CA 0.824 53.813 53.050 -0.102 0.000 0.853 255 N CB -0.121 38.320 38.487 -0.075 0.000 1.008 255 N HN 0.659 nan 8.380 nan 0.000 0.424 256 E N -0.045 120.078 120.200 -0.129 0.000 2.110 256 E HA -0.112 4.242 4.350 0.007 0.000 0.193 256 E C 1.269 177.649 176.600 -0.367 0.000 0.988 256 E CA 1.293 57.565 56.400 -0.213 0.000 0.804 256 E CB 0.119 29.753 29.700 -0.110 0.000 0.745 256 E HN 0.303 nan 8.360 nan 0.000 0.458 257 T N 0.324 114.766 114.554 -0.187 0.000 2.737 257 T HA -0.146 4.208 4.350 0.007 0.000 0.265 257 T C 1.845 176.498 174.700 -0.078 0.000 1.038 257 T CA 1.242 63.291 62.100 -0.084 0.000 1.144 257 T CB -0.233 68.697 68.868 0.104 0.000 0.866 257 T HN 0.160 nan 8.240 nan 0.000 0.434 258 R N 0.966 121.409 120.500 -0.095 0.000 2.091 258 R HA -0.068 4.276 4.340 0.007 0.000 0.238 258 R C 2.557 178.809 176.300 -0.080 0.000 1.136 258 R CA 1.447 57.498 56.100 -0.082 0.000 0.959 258 R CB -0.438 29.803 30.300 -0.099 0.000 0.856 258 R HN 0.377 nan 8.270 nan 0.000 0.437 259 A N -0.058 122.696 122.820 -0.110 0.000 1.902 259 A HA -0.221 4.103 4.320 0.007 0.000 0.217 259 A C 2.000 179.513 177.584 -0.118 0.000 1.181 259 A CA 1.329 53.299 52.037 -0.111 0.000 0.623 259 A CB -0.862 18.063 19.000 -0.125 0.000 0.818 259 A HN 0.612 nan 8.150 nan 0.000 0.443 260 Y N 0.662 120.792 120.300 -0.285 0.000 2.145 260 Y HA -0.188 4.366 4.550 0.007 0.000 0.286 260 Y C 2.357 178.159 175.900 -0.164 0.000 1.145 260 Y CA 1.975 59.908 58.100 -0.279 0.000 1.148 260 Y CB -0.333 37.855 38.460 -0.453 0.000 0.981 260 Y HN 0.071 nan 8.280 nan 0.000 0.507 261 V N 0.550 120.436 119.914 -0.047 0.000 2.255 261 V HA -0.349 3.775 4.120 0.007 0.000 0.247 261 V C 2.464 178.520 176.094 -0.065 0.000 1.051 261 V CA 2.201 64.478 62.300 -0.038 0.000 1.018 261 V CB -0.901 30.949 31.823 0.045 0.000 0.641 261 V HN 0.446 nan 8.190 nan 0.000 0.445 262 L N -0.210 120.976 121.223 -0.061 0.000 2.083 262 L HA -0.195 4.149 4.340 0.007 0.000 0.209 262 L C 2.366 179.191 176.870 -0.074 0.000 1.083 262 L CA 1.546 56.358 54.840 -0.047 0.000 0.752 262 L CB -0.751 41.281 42.059 -0.045 0.000 0.899 262 L HN 0.342 nan 8.230 nan 0.000 0.433 263 D N -0.344 119.974 120.400 -0.136 0.000 2.144 263 D HA -0.126 4.519 4.640 0.007 0.000 0.200 263 D C 2.391 178.594 176.300 -0.162 0.000 0.978 263 D CA 0.847 54.756 54.000 -0.152 0.000 0.833 263 D CB -0.081 40.603 40.800 -0.194 0.000 0.961 263 D HN 0.123 nan 8.370 nan 0.000 0.470 264 R N -0.044 120.312 120.500 -0.239 0.000 2.115 264 R HA 0.058 4.402 4.340 0.007 0.000 0.230 264 R C 2.331 178.616 176.300 -0.025 0.000 1.111 264 R CA 0.437 56.440 56.100 -0.162 0.000 0.976 264 R CB -0.528 29.661 30.300 -0.185 0.000 0.870 264 R HN 0.340 nan 8.270 nan 0.000 0.445 265 M N 0.480 120.096 119.600 0.026 0.000 2.099 265 M HA -0.136 4.348 4.480 0.007 0.000 0.262 265 M C 2.017 178.344 176.300 0.044 0.000 1.067 265 M CA 1.734 57.096 55.300 0.103 0.000 1.124 265 M CB -0.188 32.474 32.600 0.104 0.000 1.353 265 M HN -0.010 nan 8.290 nan 0.000 0.410 266 K N -0.104 120.297 120.400 0.001 0.000 2.148 266 K HA -0.178 4.146 4.320 0.007 0.000 0.204 266 K C 1.841 178.424 176.600 -0.027 0.000 1.050 266 K CA 1.111 57.393 56.287 -0.010 0.000 0.942 266 K CB -0.193 32.293 32.500 -0.023 0.000 0.724 266 K HN 0.383 nan 8.250 nan 0.000 0.446 267 E N 0.884 121.056 120.200 -0.046 0.000 2.153 267 E HA -0.194 4.160 4.350 0.007 0.000 0.194 267 E C 1.566 178.124 176.600 -0.069 0.000 0.988 267 E CA 0.852 57.220 56.400 -0.054 0.000 0.811 267 E CB 0.266 29.937 29.700 -0.047 0.000 0.746 267 E HN 0.167 nan 8.360 nan 0.000 0.466 268 Q N -0.790 118.959 119.800 -0.085 0.000 2.482 268 Q HA 0.027 4.372 4.340 0.007 0.000 0.209 268 Q C 1.157 177.124 176.000 -0.055 0.000 0.961 268 Q CA 0.983 56.709 55.803 -0.130 0.000 0.945 268 Q CB 0.963 29.542 28.738 -0.265 0.000 1.012 268 Q HN 0.509 nan 8.270 nan 0.000 0.515 269 G N 0.040 108.826 108.800 -0.024 0.000 2.179 269 G HA2 -0.236 3.728 3.960 0.007 0.000 0.220 269 G HA3 -0.236 3.728 3.960 0.007 0.000 0.220 269 G C 0.168 175.080 174.900 0.021 0.000 0.990 269 G CA -0.020 45.076 45.100 -0.006 0.000 0.646 269 G HN 0.242 nan 8.290 nan 0.000 0.517 270 M N 1.078 120.703 119.600 0.042 0.000 2.217 270 M HA 0.369 4.853 4.480 0.007 0.000 0.354 270 M C 0.188 176.513 176.300 0.041 0.000 1.225 270 M CA 0.551 55.888 55.300 0.061 0.000 1.137 270 M CB 0.595 33.251 32.600 0.094 0.000 1.576 270 M HN 0.186 nan 8.290 nan 0.000 0.461 271 E N 4.088 124.314 120.200 0.044 0.000 2.092 271 E HA 0.426 4.780 4.350 0.007 0.000 0.271 271 E C -1.081 175.543 176.600 0.039 0.000 0.919 271 E CA -0.223 56.197 56.400 0.033 0.000 0.760 271 E CB 1.265 30.983 29.700 0.030 0.000 1.106 271 E HN 0.546 nan 8.360 nan 0.000 0.408 272 I N 4.939 125.527 120.570 0.030 0.000 2.328 272 I HA 0.314 4.488 4.170 0.007 0.000 0.287 272 I C -0.301 175.828 176.117 0.021 0.000 1.012 272 I CA -0.580 60.739 61.300 0.031 0.000 1.195 272 I CB 0.785 38.801 38.000 0.026 0.000 1.350 272 I HN 0.381 nan 8.210 nan 0.000 0.464 273 I N 5.541 126.126 120.570 0.024 0.000 2.328 273 I HA 0.252 4.427 4.170 0.007 0.000 0.287 273 I C 0.345 176.471 176.117 0.015 0.000 1.012 273 I CA -0.070 61.241 61.300 0.017 0.000 1.195 273 I CB 1.221 39.232 38.000 0.018 0.000 1.350 273 I HN 0.503 nan 8.210 nan 0.000 0.464 274 S N 3.732 119.437 115.700 0.009 0.000 2.632 274 S HA 0.425 4.899 4.470 0.007 0.000 0.267 274 S C 1.032 175.634 174.600 0.005 0.000 1.276 274 S CA 0.078 58.282 58.200 0.006 0.000 0.998 274 S CB 1.347 64.547 63.200 0.001 0.000 0.953 274 S HN 1.048 nan 8.310 nan 0.000 0.547 275 G N 1.623 110.426 108.800 0.004 0.000 2.356 275 G HA2 -0.231 3.733 3.960 0.007 0.000 0.296 275 G HA3 -0.231 3.733 3.960 0.007 0.000 0.296 275 G C 0.046 174.948 174.900 0.003 0.000 1.022 275 G CA 0.440 45.541 45.100 0.002 0.000 0.961 275 G HN 1.064 nan 8.290 nan 0.000 0.510 276 S N -1.269 114.435 115.700 0.006 0.000 2.503 276 S HA 0.776 5.250 4.470 0.007 0.000 0.301 276 S C -0.559 174.044 174.600 0.005 0.000 1.087 276 S CA -0.910 57.294 58.200 0.006 0.000 1.042 276 S CB 2.350 65.556 63.200 0.010 0.000 1.043 276 S HN 0.362 nan 8.310 nan 0.000 0.489 277 N N 0.567 119.269 118.700 0.002 0.000 2.295 277 N HA 0.464 5.209 4.740 0.007 0.000 0.293 277 N C -1.304 174.204 175.510 -0.002 0.000 1.040 277 N CA -0.724 52.326 53.050 -0.001 0.000 0.840 277 N CB 1.949 40.434 38.487 -0.003 0.000 1.468 277 N HN 0.517 nan 8.380 nan 0.000 0.478 278 V N 1.380 121.291 119.914 -0.005 0.000 2.655 278 V HA 0.077 4.202 4.120 0.007 0.000 0.300 278 V C 1.263 177.350 176.094 -0.010 0.000 1.044 278 V CA 0.551 62.846 62.300 -0.008 0.000 1.095 278 V CB 0.961 32.777 31.823 -0.013 0.000 0.952 278 V HN 1.008 nan 8.190 nan 0.000 0.485 279 T N 2.100 116.648 114.554 -0.010 0.000 3.018 279 T HA 0.247 4.601 4.350 0.007 0.000 0.246 279 T C 0.625 175.317 174.700 -0.014 0.000 1.026 279 T CA -0.104 61.990 62.100 -0.011 0.000 1.081 279 T CB 0.365 69.228 68.868 -0.008 0.000 0.970 279 T HN 0.553 nan 8.240 nan 0.000 0.475 280 R N -0.054 120.437 120.500 -0.014 0.000 2.594 280 R HA 0.580 4.925 4.340 0.007 0.000 0.265 280 R C -2.144 174.145 176.300 -0.019 0.000 1.070 280 R CA -0.805 55.284 56.100 -0.017 0.000 0.909 280 R CB 1.524 31.815 30.300 -0.015 0.000 1.243 280 R HN 0.225 nan 8.270 nan 0.000 0.455 281 I N 3.253 123.808 120.570 -0.025 0.000 2.359 281 I HA 0.229 4.403 4.170 0.007 0.000 0.284 281 I C -0.032 176.070 176.117 -0.025 0.000 1.018 281 I CA -0.515 60.768 61.300 -0.027 0.000 1.173 281 I CB 1.706 39.681 38.000 -0.041 0.000 1.326 281 I HN 0.532 nan 8.210 nan 0.000 0.462 282 E N 6.308 126.497 120.200 -0.018 0.000 2.344 282 E HA 0.150 4.504 4.350 0.007 0.000 0.270 282 E C -0.567 176.021 176.600 -0.020 0.000 1.021 282 E CA -0.036 56.354 56.400 -0.017 0.000 0.887 282 E CB 0.938 30.632 29.700 -0.011 0.000 0.997 282 E HN 0.507 nan 8.360 nan 0.000 0.429 283 E N 2.505 122.691 120.200 -0.023 0.000 2.212 283 E HA 0.134 4.488 4.350 0.007 0.000 0.270 283 E C -0.826 175.760 176.600 -0.024 0.000 0.956 283 E CA -0.879 55.504 56.400 -0.028 0.000 0.825 283 E CB 1.216 30.897 29.700 -0.032 0.000 1.167 283 E HN 0.459 nan 8.360 nan 0.000 0.400 284 D N 0.392 120.776 120.400 -0.027 0.000 2.478 284 D HA 0.221 4.865 4.640 0.007 0.000 0.269 284 D C 0.637 176.922 176.300 -0.024 0.000 1.232 284 D CA -0.642 53.344 54.000 -0.024 0.000 1.059 284 D CB 0.424 41.208 40.800 -0.026 0.000 1.104 284 D HN 0.381 nan 8.370 nan 0.000 0.566 285 A N -0.410 122.398 122.820 -0.021 0.000 2.178 285 A HA -0.142 4.182 4.320 0.007 0.000 0.218 285 A C 1.239 178.811 177.584 -0.021 0.000 1.157 285 A CA 0.759 52.785 52.037 -0.018 0.000 0.689 285 A CB -0.746 18.245 19.000 -0.014 0.000 0.787 285 A HN 0.487 nan 8.150 nan 0.000 0.465 286 N N -0.879 117.804 118.700 -0.028 0.000 2.280 286 N HA 0.172 4.916 4.740 0.007 0.000 0.192 286 N C 1.109 176.597 175.510 -0.036 0.000 1.109 286 N CA 0.961 53.992 53.050 -0.031 0.000 0.855 286 N CB 0.470 38.934 38.487 -0.039 0.000 0.974 286 N HN 0.591 nan 8.380 nan 0.000 0.482 287 G N 1.143 109.921 108.800 -0.037 0.000 2.141 287 G HA2 -0.299 3.665 3.960 0.007 0.000 0.242 287 G HA3 -0.299 3.665 3.960 0.007 0.000 0.242 287 G C 0.152 175.019 174.900 -0.055 0.000 0.982 287 G CA 0.171 45.247 45.100 -0.041 0.000 0.662 287 G HN 0.477 nan 8.290 nan 0.000 0.527 288 R N 0.149 120.611 120.500 -0.063 0.000 2.604 288 R HA 0.653 4.998 4.340 0.007 0.000 0.287 288 R C 0.621 176.888 176.300 -0.056 0.000 0.970 288 R CA -0.485 55.567 56.100 -0.081 0.000 0.946 288 R CB 1.276 31.500 30.300 -0.127 0.000 1.127 288 R HN 0.243 nan 8.270 nan 0.000 0.473 289 V N 4.862 124.749 119.914 -0.045 0.000 2.720 289 V HA -0.085 4.040 4.120 0.007 0.000 0.307 289 V C 1.060 177.149 176.094 -0.007 0.000 1.071 289 V CA 0.970 63.257 62.300 -0.021 0.000 1.199 289 V CB 0.883 32.705 31.823 -0.001 0.000 0.900 289 V HN 0.991 nan 8.190 nan 0.000 0.494 290 Q N 3.743 123.540 119.800 -0.006 0.000 2.288 290 Q HA 0.621 4.965 4.340 0.007 0.000 0.256 290 Q C 0.296 176.302 176.000 0.010 0.000 0.835 290 Q CA 0.498 56.301 55.803 0.001 0.000 0.958 290 Q CB 1.125 29.859 28.738 -0.007 0.000 1.125 290 Q HN 0.843 nan 8.270 nan 0.000 0.513 291 A N 0.144 122.968 122.820 0.006 0.000 2.586 291 A HA 0.623 4.947 4.320 0.007 0.000 0.291 291 A C -1.706 175.881 177.584 0.004 0.000 1.062 291 A CA -0.555 51.487 52.037 0.009 0.000 0.666 291 A CB 1.703 20.707 19.000 0.006 0.000 1.281 291 A HN 0.055 nan 8.150 nan 0.000 0.421 292 V N 0.590 120.508 119.914 0.007 0.000 2.588 292 V HA 0.615 4.739 4.120 0.007 0.000 0.304 292 V C -0.609 175.487 176.094 0.002 0.000 1.042 292 V CA -0.563 61.738 62.300 0.002 0.000 0.877 292 V CB 1.651 33.478 31.823 0.006 0.000 0.996 292 V HN 0.805 nan 8.190 nan 0.000 0.425 293 V N 3.568 123.481 119.914 -0.002 0.000 2.459 293 V HA 0.949 5.073 4.120 0.007 0.000 0.295 293 V C 0.182 176.275 176.094 -0.002 0.000 1.029 293 V CA -0.269 62.030 62.300 -0.001 0.000 0.874 293 V CB 1.569 33.390 31.823 -0.004 0.000 0.985 293 V HN 1.077 nan 8.190 nan 0.000 0.438 294 A N 4.671 127.492 122.820 0.001 0.000 2.587 294 A HA 0.921 5.245 4.320 0.007 0.000 0.293 294 A C -1.038 176.546 177.584 0.001 0.000 1.087 294 A CA -0.730 51.307 52.037 0.000 0.000 0.692 294 A CB 1.869 20.871 19.000 0.004 0.000 1.291 294 A HN 0.776 nan 8.150 nan 0.000 0.407 295 M N 1.875 121.475 119.600 -0.000 0.000 2.233 295 M HA 0.631 5.115 4.480 0.007 0.000 0.355 295 M C 0.284 176.584 176.300 0.001 0.000 1.191 295 M CA 0.184 55.484 55.300 -0.000 0.000 1.101 295 M CB 0.975 33.574 32.600 -0.002 0.000 1.592 295 M HN 1.113 nan 8.290 nan 0.000 0.461 296 T N 1.782 116.337 114.554 0.001 0.000 2.831 296 T HA 0.695 5.049 4.350 0.007 0.000 0.287 296 T C -2.464 172.236 174.700 0.000 0.000 1.070 296 T CA -1.419 60.682 62.100 0.002 0.000 1.010 296 T CB 1.124 69.994 68.868 0.003 0.000 1.264 296 T HN 0.471 nan 8.240 nan 0.000 0.532 297 P HA 0.096 nan 4.420 nan 0.000 0.220 297 P C 0.355 177.653 177.300 -0.002 0.000 1.148 297 P CA 0.873 63.972 63.100 -0.002 0.000 0.803 297 P CB -0.144 31.555 31.700 -0.002 0.000 0.782 298 N N -0.673 118.026 118.700 -0.002 0.000 2.380 298 N HA 0.376 5.120 4.740 0.007 0.000 0.255 298 N C 0.447 175.956 175.510 -0.001 0.000 1.158 298 N CA 0.320 53.369 53.050 -0.002 0.000 0.878 298 N CB 0.305 38.791 38.487 -0.002 0.000 1.138 298 N HN 0.033 nan 8.380 nan 0.000 0.509 299 G N 0.555 109.355 108.800 -0.001 0.000 2.627 299 G HA2 -0.240 3.725 3.960 0.007 0.000 0.214 299 G HA3 -0.240 3.725 3.960 0.007 0.000 0.214 299 G C -0.837 174.063 174.900 -0.000 0.000 1.331 299 G CA -0.834 44.265 45.100 -0.001 0.000 0.891 299 G HN 0.335 nan 8.290 nan 0.000 0.539 300 E N -0.226 119.974 120.200 -0.001 0.000 2.343 300 E HA 0.600 4.954 4.350 0.007 0.000 0.269 300 E C 0.652 177.253 176.600 0.001 0.000 1.047 300 E CA -0.283 56.117 56.400 -0.000 0.000 0.874 300 E CB 0.412 30.111 29.700 -0.001 0.000 1.033 300 E HN 0.817 nan 8.360 nan 0.000 0.409 301 M N 2.403 122.004 119.600 0.002 0.000 2.484 301 M HA 0.517 5.002 4.480 0.007 0.000 0.289 301 M C -1.013 175.290 176.300 0.005 0.000 1.206 301 M CA -1.012 54.290 55.300 0.004 0.000 0.892 301 M CB 2.320 34.923 32.600 0.006 0.000 1.712 301 M HN 0.309 nan 8.290 nan 0.000 0.462 302 R N 2.330 122.833 120.500 0.005 0.000 2.439 302 R HA 0.763 5.108 4.340 0.007 0.000 0.310 302 R C -2.125 174.181 176.300 0.010 0.000 0.955 302 R CA -0.430 55.673 56.100 0.006 0.000 0.853 302 R CB 1.343 31.645 30.300 0.004 0.000 1.171 302 R HN 0.937 nan 8.270 nan 0.000 0.449 303 I N 3.497 124.074 120.570 0.013 0.000 2.355 303 I HA 0.235 4.409 4.170 0.007 0.000 0.288 303 I C -0.048 176.082 176.117 0.021 0.000 0.999 303 I CA -0.552 60.759 61.300 0.019 0.000 1.163 303 I CB 1.920 39.935 38.000 0.026 0.000 1.316 303 I HN 0.473 nan 8.210 nan 0.000 0.454 304 E N 4.327 124.540 120.200 0.021 0.000 2.316 304 E HA 0.433 4.787 4.350 0.007 0.000 0.275 304 E C -0.233 176.389 176.600 0.036 0.000 1.029 304 E CA 0.003 56.417 56.400 0.023 0.000 0.871 304 E CB 1.425 31.136 29.700 0.018 0.000 1.022 304 E HN 0.566 nan 8.360 nan 0.000 0.418 305 T N 1.169 115.750 114.554 0.045 0.000 2.831 305 T HA 0.096 4.450 4.350 0.007 0.000 0.333 305 T C -1.590 173.163 174.700 0.089 0.000 1.684 305 T CA -0.784 61.361 62.100 0.074 0.000 1.049 305 T CB 1.011 69.930 68.868 0.086 0.000 1.518 305 T HN 0.542 nan 8.240 nan 0.000 0.491 306 D N 1.466 121.953 120.400 0.145 0.000 2.571 306 D HA 0.289 4.933 4.640 0.007 0.000 0.239 306 D C -0.313 176.210 176.300 0.372 0.000 1.267 306 D CA -0.167 53.933 54.000 0.166 0.000 0.823 306 D CB -0.068 40.798 40.800 0.109 0.000 1.056 306 D HN 0.267 nan 8.370 nan 0.000 0.494 307 F N 0.831 120.872 119.950 0.150 0.000 2.787 307 F HA 0.445 4.976 4.527 0.007 0.000 0.340 307 F C -2.027 173.841 175.800 0.113 0.000 1.232 307 F CA -0.832 57.287 58.000 0.198 0.000 1.051 307 F CB 1.596 40.651 39.000 0.092 0.000 1.330 307 F HN -0.217 nan 8.300 nan 0.000 0.522 308 V N 6.894 126.618 119.914 -0.315 0.000 2.487 308 V HA 0.444 4.568 4.120 0.007 0.000 0.298 308 V C -1.086 174.818 176.094 -0.317 0.000 1.028 308 V CA -0.832 61.324 62.300 -0.240 0.000 0.860 308 V CB 1.780 33.536 31.823 -0.113 0.000 0.991 308 V HN 0.624 nan 8.190 nan 0.000 0.427 309 F N 5.697 125.461 119.950 -0.310 0.000 2.449 309 F HA 0.668 5.199 4.527 0.007 0.000 0.342 309 F C -0.534 175.254 175.800 -0.019 0.000 1.127 309 F CA -0.681 57.231 58.000 -0.146 0.000 0.975 309 F CB 1.208 40.239 39.000 0.051 0.000 1.146 309 F HN 0.321 nan 8.300 nan 0.000 0.444 310 L N 6.274 127.068 121.223 -0.715 0.000 2.257 310 L HA 0.455 4.799 4.340 0.007 0.000 0.290 310 L C 0.630 177.141 176.870 -0.597 0.000 1.044 310 L CA -0.616 53.945 54.840 -0.465 0.000 0.810 310 L CB 1.180 43.046 42.059 -0.323 0.000 1.193 310 L HN 0.918 nan 8.230 nan 0.000 0.425 311 G N 5.073 113.760 108.800 -0.188 0.000 4.829 311 G HA2 0.489 4.453 3.960 0.007 0.000 0.320 311 G HA3 0.489 4.453 3.960 0.007 0.000 0.320 311 G C 0.094 174.991 174.900 -0.005 0.000 1.445 311 G CA -0.308 44.778 45.100 -0.023 0.000 1.151 311 G HN 0.364 nan 8.290 nan 0.000 0.572 312 L N 0.053 121.249 121.223 -0.046 0.000 2.744 312 L HA 0.689 5.033 4.340 0.007 0.000 0.218 312 L C 1.499 178.368 176.870 -0.001 0.000 1.190 312 L CA -0.951 53.878 54.840 -0.018 0.000 0.869 312 L CB 0.150 42.190 42.059 -0.033 0.000 1.652 312 L HN 0.290 nan 8.230 nan 0.000 0.519 313 G N -0.833 107.970 108.800 0.004 0.000 2.563 313 G HA2 0.322 4.286 3.960 0.007 0.000 0.283 313 G HA3 0.322 4.286 3.960 0.007 0.000 0.283 313 G C -0.645 174.267 174.900 0.021 0.000 1.309 313 G CA -0.413 44.694 45.100 0.011 0.000 1.022 313 G HN 0.449 nan 8.290 nan 0.000 0.501 314 E N -0.070 120.145 120.200 0.026 0.000 2.222 314 E HA 0.310 4.664 4.350 0.007 0.000 0.272 314 E C -0.532 176.086 176.600 0.031 0.000 0.982 314 E CA -0.528 55.900 56.400 0.046 0.000 0.842 314 E CB 1.840 31.572 29.700 0.054 0.000 1.144 314 E HN 0.264 nan 8.360 nan 0.000 0.397 315 Q N 1.535 121.355 119.800 0.033 0.000 2.348 315 Q HA 0.388 4.733 4.340 0.007 0.000 0.265 315 Q C -2.406 173.606 176.000 0.019 0.000 0.998 315 Q CA -2.408 53.407 55.803 0.019 0.000 0.831 315 Q CB 1.139 29.884 28.738 0.011 0.000 1.251 315 Q HN 0.073 nan 8.270 nan 0.000 0.456 316 P HA -0.077 nan 4.420 nan 0.000 0.261 316 P C -0.256 177.049 177.300 0.007 0.000 1.165 316 P CA 0.432 63.539 63.100 0.013 0.000 0.759 316 P CB 0.435 32.140 31.700 0.009 0.000 0.772 317 R N 2.211 122.715 120.500 0.006 0.000 4.138 317 R HA 0.087 4.431 4.340 0.007 0.000 0.206 317 R C 0.916 177.211 176.300 -0.008 0.000 1.667 317 R CA 0.140 56.236 56.100 -0.006 0.000 1.481 317 R CB -0.380 29.911 30.300 -0.015 0.000 1.388 317 R HN 0.544 nan 8.270 nan 0.000 0.776 318 S N -0.850 114.847 115.700 -0.006 0.000 2.502 318 S HA 0.062 4.536 4.470 0.007 0.000 0.215 318 S C 1.996 176.590 174.600 -0.010 0.000 1.009 318 S CA 0.198 58.394 58.200 -0.007 0.000 0.908 318 S CB 0.481 63.679 63.200 -0.004 0.000 0.801 318 S HN 0.422 nan 8.310 nan 0.000 0.505 319 A N 2.710 125.523 122.820 -0.011 0.000 1.863 319 A HA -0.243 4.081 4.320 0.007 0.000 0.218 319 A C 2.164 179.740 177.584 -0.012 0.000 1.233 319 A CA 2.290 54.321 52.037 -0.011 0.000 0.655 319 A CB -1.343 17.650 19.000 -0.012 0.000 0.839 319 A HN 0.540 nan 8.150 nan 0.000 0.454 320 E N -0.077 120.114 120.200 -0.015 0.000 2.038 320 E HA -0.155 4.199 4.350 0.007 0.000 0.195 320 E C 1.907 178.499 176.600 -0.013 0.000 1.000 320 E CA 1.632 58.023 56.400 -0.014 0.000 0.803 320 E CB -0.485 29.204 29.700 -0.018 0.000 0.750 320 E HN 0.573 nan 8.360 nan 0.000 0.448 321 L N -0.281 120.934 121.223 -0.015 0.000 2.083 321 L HA -0.175 4.169 4.340 0.007 0.000 0.209 321 L C 2.472 179.333 176.870 -0.014 0.000 1.083 321 L CA 1.194 56.025 54.840 -0.014 0.000 0.752 321 L CB -0.544 41.507 42.059 -0.014 0.000 0.899 321 L HN 0.211 nan 8.230 nan 0.000 0.433 322 A N -0.166 122.646 122.820 -0.013 0.000 1.930 322 A HA -0.229 4.095 4.320 0.007 0.000 0.217 322 A C 2.414 179.991 177.584 -0.012 0.000 1.175 322 A CA 1.738 53.767 52.037 -0.013 0.000 0.627 322 A CB -0.388 18.605 19.000 -0.011 0.000 0.815 322 A HN 0.323 nan 8.150 nan 0.000 0.443 323 K N -0.252 120.142 120.400 -0.010 0.000 2.057 323 K HA -0.071 4.253 4.320 0.007 0.000 0.206 323 K C 1.804 178.399 176.600 -0.008 0.000 1.050 323 K CA 1.496 57.778 56.287 -0.009 0.000 0.935 323 K CB -0.269 32.226 32.500 -0.008 0.000 0.715 323 K HN 0.514 nan 8.250 nan 0.000 0.439 324 I N 0.867 121.432 120.570 -0.009 0.000 2.193 324 I HA -0.255 3.920 4.170 0.007 0.000 0.240 324 I C 2.031 178.142 176.117 -0.009 0.000 1.084 324 I CA 1.087 62.383 61.300 -0.007 0.000 1.365 324 I CB -0.043 37.953 38.000 -0.007 0.000 1.064 324 I HN 0.140 nan 8.210 nan 0.000 0.410 325 L N 0.063 121.277 121.223 -0.015 0.000 2.446 325 L HA 0.234 4.579 4.340 0.007 0.000 0.219 325 L C 1.245 178.103 176.870 -0.020 0.000 1.116 325 L CA 0.500 55.327 54.840 -0.021 0.000 0.844 325 L CB -0.291 41.749 42.059 -0.030 0.000 0.970 325 L HN 0.481 nan 8.230 nan 0.000 0.457 326 G N 1.380 110.170 108.800 -0.016 0.000 2.248 326 G HA2 -0.239 3.725 3.960 0.007 0.000 0.252 326 G HA3 -0.239 3.725 3.960 0.007 0.000 0.252 326 G C -0.121 174.768 174.900 -0.018 0.000 1.085 326 G CA -0.376 44.715 45.100 -0.015 0.000 0.845 326 G HN 0.168 nan 8.290 nan 0.000 0.494 327 L N 0.495 121.707 121.223 -0.019 0.000 2.331 327 L HA 0.360 4.704 4.340 0.007 0.000 0.278 327 L C 0.209 177.069 176.870 -0.016 0.000 1.106 327 L CA -0.913 53.915 54.840 -0.021 0.000 0.824 327 L CB 0.596 42.643 42.059 -0.020 0.000 1.142 327 L HN 0.044 nan 8.230 nan 0.000 0.443 328 D N 3.823 124.213 120.400 -0.017 0.000 2.390 328 D HA 0.375 5.019 4.640 0.007 0.000 0.249 328 D C -0.093 176.200 176.300 -0.011 0.000 1.144 328 D CA 0.227 54.219 54.000 -0.014 0.000 0.880 328 D CB 1.068 41.860 40.800 -0.014 0.000 1.182 328 D HN 0.238 nan 8.370 nan 0.000 0.451 329 L N 0.931 122.149 121.223 -0.009 0.000 2.313 329 L HA 0.648 4.992 4.340 0.007 0.000 0.268 329 L C 1.196 178.062 176.870 -0.006 0.000 1.010 329 L CA -1.044 53.791 54.840 -0.007 0.000 0.814 329 L CB 1.650 43.706 42.059 -0.006 0.000 1.304 329 L HN 0.309 nan 8.230 nan 0.000 0.441 330 G N -0.396 108.401 108.800 -0.005 0.000 2.531 330 G HA2 0.419 4.384 3.960 0.007 0.000 0.313 330 G HA3 0.419 4.384 3.960 0.007 0.000 0.313 330 G C -1.786 173.112 174.900 -0.003 0.000 1.238 330 G CA -0.927 44.171 45.100 -0.004 0.000 0.994 330 G HN 0.469 nan 8.290 nan 0.000 0.493 331 P HA -0.105 nan 4.420 nan 0.000 0.217 331 P C 0.920 178.219 177.300 -0.002 0.000 1.148 331 P CA 1.270 64.368 63.100 -0.002 0.000 0.828 331 P CB 0.304 32.003 31.700 -0.002 0.000 0.783 332 K N -1.186 119.213 120.400 -0.001 0.000 2.437 332 K HA 0.274 4.598 4.320 0.007 0.000 0.198 332 K C 1.098 177.698 176.600 0.000 0.000 1.024 332 K CA 0.496 56.784 56.287 0.000 0.000 1.148 332 K CB -0.151 32.351 32.500 0.003 0.000 0.860 332 K HN 0.165 nan 8.250 nan 0.000 0.515 333 G N 2.495 111.294 108.800 -0.001 0.000 2.157 333 G HA2 -0.260 3.704 3.960 0.007 0.000 0.248 333 G HA3 -0.260 3.704 3.960 0.007 0.000 0.248 333 G C -0.139 174.761 174.900 -0.000 0.000 0.979 333 G CA 0.216 45.315 45.100 -0.002 0.000 0.650 333 G HN 0.461 nan 8.290 nan 0.000 0.529 334 E N 1.018 121.219 120.200 0.001 0.000 2.373 334 E HA 0.402 4.756 4.350 0.007 0.000 0.267 334 E C 0.227 176.828 176.600 0.001 0.000 1.032 334 E CA -0.509 55.892 56.400 0.003 0.000 0.889 334 E CB 1.750 31.452 29.700 0.003 0.000 0.984 334 E HN 0.292 nan 8.360 nan 0.000 0.425 335 V N 4.299 124.216 119.914 0.004 0.000 2.521 335 V HA 0.035 4.159 4.120 0.007 0.000 0.286 335 V C 0.737 176.832 176.094 0.001 0.000 1.034 335 V CA -0.248 62.053 62.300 0.001 0.000 1.045 335 V CB 0.196 32.022 31.823 0.005 0.000 0.974 335 V HN 0.521 nan 8.190 nan 0.000 0.480 336 L N 6.660 127.880 121.223 -0.005 0.000 2.367 336 L HA 0.532 4.877 4.340 0.007 0.000 0.275 336 L C -0.020 176.844 176.870 -0.009 0.000 1.129 336 L CA -0.080 54.755 54.840 -0.008 0.000 0.839 336 L CB 1.059 43.111 42.059 -0.011 0.000 1.133 336 L HN 0.631 nan 8.230 nan 0.000 0.453 337 V N -0.367 119.543 119.914 -0.006 0.000 3.078 337 V HA 0.605 4.729 4.120 0.007 0.000 0.311 337 V C -0.537 175.549 176.094 -0.013 0.000 1.138 337 V CA -1.103 61.194 62.300 -0.004 0.000 1.007 337 V CB 1.906 33.744 31.823 0.025 0.000 1.045 337 V HN 0.826 nan 8.190 nan 0.000 0.432 338 N N 1.240 119.935 118.700 -0.008 0.000 2.418 338 N HA 0.233 4.977 4.740 0.007 0.000 0.283 338 N C 0.857 176.307 175.510 -0.100 0.000 1.267 338 N CA -0.026 53.003 53.050 -0.034 0.000 0.975 338 N CB 0.012 38.517 38.487 0.030 0.000 1.167 338 N HN 0.841 nan 8.380 nan 0.000 0.581 339 E N -1.031 119.005 120.200 -0.274 0.000 2.472 339 E HA -0.190 4.164 4.350 0.007 0.000 0.200 339 E C 0.039 176.399 176.600 -0.401 0.000 1.046 339 E CA 1.066 57.234 56.400 -0.387 0.000 0.871 339 E CB -0.601 28.791 29.700 -0.512 0.000 0.806 339 E HN 0.701 nan 8.360 nan 0.000 0.533 340 Y N 0.392 120.736 120.300 0.074 0.000 2.524 340 Y HA 0.237 4.791 4.550 0.006 0.000 0.266 340 Y C 0.747 176.785 175.900 0.229 0.000 1.180 340 Y CA -0.521 57.665 58.100 0.143 0.000 1.244 340 Y CB 0.469 39.011 38.460 0.136 0.000 1.125 340 Y HN -0.181 nan 8.280 nan 0.000 0.524 341 L N -0.651 120.713 121.223 0.236 0.000 4.560 341 L HA -0.315 4.029 4.340 0.007 0.000 0.415 341 L C -0.224 176.761 176.870 0.192 0.000 1.123 341 L CA 0.740 55.733 54.840 0.256 0.000 0.991 341 L CB -2.493 39.777 42.059 0.352 0.000 2.127 341 L HN 0.426 nan 8.230 nan 0.000 0.765 342 Q N 0.317 120.123 119.800 0.011 0.000 2.267 342 Q HA 0.467 4.811 4.340 0.007 0.000 0.255 342 Q C 1.154 177.065 176.000 -0.149 0.000 0.923 342 Q CA 0.394 56.017 55.803 -0.300 0.000 0.925 342 Q CB 1.448 30.003 28.738 -0.305 0.000 1.195 342 Q HN 0.439 nan 8.270 nan 0.000 0.417 343 T N -1.841 112.610 114.554 -0.171 0.000 2.771 343 T HA 0.076 4.430 4.350 0.007 0.000 0.290 343 T C 1.366 176.012 174.700 -0.089 0.000 1.005 343 T CA -0.134 61.911 62.100 -0.091 0.000 0.944 343 T CB 0.749 69.573 68.868 -0.073 0.000 1.147 343 T HN 0.623 nan 8.240 nan 0.000 0.534 344 S N -1.081 114.584 115.700 -0.058 0.000 2.515 344 S HA 0.077 4.551 4.470 0.007 0.000 0.231 344 S C 0.645 175.212 174.600 -0.056 0.000 0.987 344 S CA -0.272 57.899 58.200 -0.048 0.000 0.936 344 S CB -0.553 62.628 63.200 -0.031 0.000 0.766 344 S HN 0.565 nan 8.310 nan 0.000 0.528 345 V N 3.613 123.484 119.914 -0.072 0.000 2.439 345 V HA 0.380 4.505 4.120 0.007 0.000 0.282 345 V C -2.435 173.598 176.094 -0.102 0.000 1.039 345 V CA -2.283 59.973 62.300 -0.073 0.000 0.913 345 V CB 1.017 32.799 31.823 -0.068 0.000 0.983 345 V HN 0.140 nan 8.190 nan 0.000 0.460 346 P HA 0.067 nan 4.420 nan 0.000 0.261 346 P C 0.341 177.576 177.300 -0.109 0.000 1.183 346 P CA 0.505 63.561 63.100 -0.073 0.000 0.761 346 P CB 0.063 31.755 31.700 -0.015 0.000 0.785 347 N N -0.146 118.490 118.700 -0.108 0.000 2.741 347 N HA -0.131 4.613 4.740 0.007 0.000 0.251 347 N C -0.840 174.630 175.510 -0.067 0.000 1.112 347 N CA 0.737 53.754 53.050 -0.054 0.000 0.750 347 N CB -1.451 37.020 38.487 -0.027 0.000 1.119 347 N HN 0.178 nan 8.380 nan 0.000 0.561 348 V N 1.410 121.230 119.914 -0.156 0.000 2.444 348 V HA 0.471 4.595 4.120 0.007 0.000 0.294 348 V C -0.245 175.765 176.094 -0.141 0.000 1.022 348 V CA -0.649 61.603 62.300 -0.080 0.000 0.850 348 V CB 1.371 33.137 31.823 -0.095 0.000 0.992 348 V HN 0.042 nan 8.190 nan 0.000 0.426 349 Y N 2.195 122.453 120.300 -0.070 0.000 2.528 349 Y HA 0.852 5.406 4.550 0.006 0.000 0.335 349 Y C 0.395 176.273 175.900 -0.036 0.000 1.093 349 Y CA -0.861 57.216 58.100 -0.038 0.000 1.134 349 Y CB 2.082 40.518 38.460 -0.041 0.000 1.253 349 Y HN 0.701 nan 8.280 nan 0.000 0.478 350 A N 1.250 124.164 122.820 0.156 0.000 2.422 350 A HA 0.876 5.201 4.320 0.007 0.000 0.302 350 A C -1.199 176.453 177.584 0.114 0.000 1.041 350 A CA -0.558 51.537 52.037 0.096 0.000 0.708 350 A CB 1.040 20.071 19.000 0.052 0.000 1.257 350 A HN 0.882 nan 8.150 nan 0.000 0.414 351 V N -0.861 119.113 119.914 0.101 0.000 3.165 351 V HA 1.012 5.136 4.120 0.007 0.000 0.309 351 V C 0.662 176.803 176.094 0.078 0.000 1.267 351 V CA -0.008 62.355 62.300 0.106 0.000 1.067 351 V CB 0.738 32.638 31.823 0.128 0.000 1.082 351 V HN 2.866 nan 8.190 nan 0.000 0.451 352 G N 0.843 109.681 108.800 0.063 0.000 2.569 352 G HA2 -0.230 3.734 3.960 0.007 0.000 0.259 352 G HA3 -0.230 3.734 3.960 0.007 0.000 0.259 352 G C 0.117 175.025 174.900 0.013 0.000 1.263 352 G CA 0.791 45.909 45.100 0.029 0.000 0.928 352 G HN 1.085 nan 8.290 nan 0.000 0.572 353 D N -0.211 120.195 120.400 0.011 0.000 2.263 353 D HA -0.020 4.624 4.640 0.007 0.000 0.208 353 D C 2.469 178.779 176.300 0.017 0.000 0.971 353 D CA 1.114 55.118 54.000 0.007 0.000 0.867 353 D CB -0.108 40.705 40.800 0.022 0.000 0.929 353 D HN 0.371 nan 8.370 nan 0.000 0.492 354 L N 0.940 122.179 121.223 0.026 0.000 2.187 354 L HA -0.081 4.263 4.340 0.007 0.000 0.213 354 L C 1.714 178.596 176.870 0.020 0.000 1.100 354 L CA 1.302 56.156 54.840 0.024 0.000 0.765 354 L CB -0.339 41.738 42.059 0.030 0.000 0.904 354 L HN 0.149 nan 8.230 nan 0.000 0.437 355 I N -3.173 117.411 120.570 0.023 0.000 3.855 355 I HA 0.536 4.710 4.170 0.007 0.000 0.327 355 I C 0.946 177.068 176.117 0.009 0.000 1.359 355 I CA 0.093 61.405 61.300 0.020 0.000 1.142 355 I CB -0.866 37.154 38.000 0.034 0.000 1.041 355 I HN 0.225 nan 8.210 nan 0.000 0.403 356 G N 0.927 109.729 108.800 0.004 0.000 2.627 356 G HA2 -0.081 3.883 3.960 0.007 0.000 0.214 356 G HA3 -0.081 3.883 3.960 0.007 0.000 0.214 356 G C 0.065 174.957 174.900 -0.012 0.000 1.331 356 G CA -0.576 44.523 45.100 -0.001 0.000 0.891 356 G HN 0.741 nan 8.290 nan 0.000 0.539 357 G N 0.761 109.557 108.800 -0.006 0.000 2.569 357 G HA2 0.622 4.586 3.960 0.007 0.000 0.249 357 G HA3 0.622 4.586 3.960 0.007 0.000 0.249 357 G C -1.481 173.409 174.900 -0.016 0.000 1.216 357 G CA 0.197 45.291 45.100 -0.009 0.000 0.845 357 G HN 0.759 nan 8.290 nan 0.000 0.568 358 P HA 0.224 nan 4.420 nan 0.000 0.279 358 P C -0.472 176.724 177.300 -0.173 0.000 1.239 358 P CA -0.247 62.807 63.100 -0.077 0.000 0.789 358 P CB 1.198 32.833 31.700 -0.108 0.000 0.933 359 M N 2.910 122.437 119.600 -0.121 0.000 2.365 359 M HA 0.238 4.722 4.480 0.007 0.000 0.350 359 M C 0.149 176.347 176.300 -0.171 0.000 1.274 359 M CA 0.204 55.428 55.300 -0.128 0.000 1.252 359 M CB 0.334 32.900 32.600 -0.057 0.000 1.297 359 M HN 0.219 nan 8.290 nan 0.000 0.438 360 E N 1.619 121.625 120.200 -0.324 0.000 2.393 360 E HA 0.385 4.739 4.350 0.007 0.000 0.273 360 E C 0.375 176.757 176.600 -0.363 0.000 0.918 360 E CA -0.651 55.544 56.400 -0.342 0.000 0.773 360 E CB 1.715 31.074 29.700 -0.568 0.000 1.275 360 E HN 0.485 nan 8.360 nan 0.000 0.451 361 M N 0.461 119.955 119.600 -0.177 0.000 2.159 361 M HA -0.079 4.405 4.480 0.007 0.000 0.263 361 M C 2.072 178.259 176.300 -0.189 0.000 1.063 361 M CA 1.482 56.697 55.300 -0.141 0.000 1.110 361 M CB -1.011 31.560 32.600 -0.049 0.000 1.374 361 M HN 0.567 nan 8.290 nan 0.000 0.411 362 F N 0.669 120.558 119.950 -0.101 0.000 2.134 362 F HA -0.101 4.430 4.527 0.008 0.000 0.299 362 F C 2.208 177.967 175.800 -0.068 0.000 1.097 362 F CA 1.251 59.187 58.000 -0.108 0.000 1.264 362 F CB -1.104 37.855 39.000 -0.068 0.000 1.001 362 F HN -0.055 nan 8.300 nan 0.000 0.479 363 K N 1.601 121.480 120.400 -0.868 0.000 2.026 363 K HA -0.049 4.275 4.320 0.007 0.000 0.208 363 K C 2.294 178.807 176.600 -0.145 0.000 1.048 363 K CA 1.432 57.479 56.287 -0.400 0.000 0.929 363 K CB -0.888 31.229 32.500 -0.638 0.000 0.713 363 K HN 0.408 nan 8.250 nan 0.000 0.439 364 A N 1.406 124.103 122.820 -0.205 0.000 1.858 364 A HA -0.174 4.150 4.320 0.007 0.000 0.216 364 A C 2.304 179.833 177.584 -0.091 0.000 1.190 364 A CA 1.731 53.708 52.037 -0.100 0.000 0.617 364 A CB -0.478 18.468 19.000 -0.089 0.000 0.827 364 A HN 0.366 nan 8.150 nan 0.000 0.443 365 R N -0.354 120.032 120.500 -0.190 0.000 2.073 365 R HA -0.089 4.256 4.340 0.007 0.000 0.234 365 R C 2.304 178.514 176.300 -0.151 0.000 1.134 365 R CA 1.726 57.665 56.100 -0.268 0.000 0.952 365 R CB -0.277 29.584 30.300 -0.732 0.000 0.850 365 R HN 0.499 nan 8.270 nan 0.000 0.433 366 K N 0.290 120.593 120.400 -0.162 0.000 2.057 366 K HA -0.098 4.227 4.320 0.007 0.000 0.206 366 K C 2.334 178.795 176.600 -0.232 0.000 1.050 366 K CA 1.714 57.868 56.287 -0.221 0.000 0.935 366 K CB -0.092 32.280 32.500 -0.213 0.000 0.715 366 K HN 0.193 nan 8.250 nan 0.000 0.439 367 S N 0.464 116.036 115.700 -0.212 0.000 2.382 367 S HA -0.117 4.357 4.470 0.007 0.000 0.228 367 S C 2.262 176.898 174.600 0.060 0.000 1.027 367 S CA 1.185 59.370 58.200 -0.026 0.000 0.991 367 S CB -0.898 62.387 63.200 0.143 0.000 0.823 367 S HN 0.377 nan 8.310 nan 0.000 0.469 368 G N 0.675 109.508 108.800 0.056 0.000 2.421 368 G HA2 -0.200 3.764 3.960 0.007 0.000 0.216 368 G HA3 -0.200 3.764 3.960 0.007 0.000 0.216 368 G C 1.576 176.532 174.900 0.094 0.000 1.171 368 G CA 1.075 46.258 45.100 0.138 0.000 0.775 368 G HN 0.640 nan 8.290 nan 0.000 0.543 369 C N -0.599 118.676 119.300 -0.042 0.000 2.446 369 C HA 0.032 4.496 4.460 0.007 0.000 0.277 369 C C 2.479 177.241 174.990 -0.380 0.000 1.275 369 C CA 0.456 59.315 59.018 -0.265 0.000 1.727 369 C CB -1.200 26.218 27.740 -0.536 0.000 2.010 369 C HN 0.529 nan 8.230 nan 0.000 0.486 370 Y N 1.431 121.579 120.300 -0.255 0.000 2.200 370 Y HA -0.102 4.452 4.550 0.007 0.000 0.290 370 Y C 2.685 178.540 175.900 -0.075 0.000 1.137 370 Y CA 1.406 59.406 58.100 -0.168 0.000 1.163 370 Y CB -0.665 37.718 38.460 -0.128 0.000 0.988 370 Y HN 0.253 nan 8.280 nan 0.000 0.518 371 A N 0.226 123.100 122.820 0.089 0.000 1.908 371 A HA -0.204 4.120 4.320 0.007 0.000 0.218 371 A C 2.423 179.855 177.584 -0.252 0.000 1.181 371 A CA 1.895 53.882 52.037 -0.083 0.000 0.627 371 A CB -1.271 17.683 19.000 -0.077 0.000 0.818 371 A HN 0.424 nan 8.150 nan 0.000 0.445 372 A N -0.223 122.546 122.820 -0.086 0.000 1.902 372 A HA -0.185 4.140 4.320 0.007 0.000 0.217 372 A C 2.239 179.817 177.584 -0.010 0.000 1.181 372 A CA 1.646 53.678 52.037 -0.007 0.000 0.623 372 A CB -0.456 18.646 19.000 0.170 0.000 0.818 372 A HN 0.570 nan 8.150 nan 0.000 0.443 373 R N -0.571 119.915 120.500 -0.025 0.000 2.092 373 R HA -0.103 4.241 4.340 0.007 0.000 0.231 373 R C 1.963 178.288 176.300 0.040 0.000 1.119 373 R CA 1.620 57.735 56.100 0.025 0.000 0.970 373 R CB -0.400 29.881 30.300 -0.032 0.000 0.864 373 R HN 0.643 nan 8.270 nan 0.000 0.440 374 N N -0.166 118.553 118.700 0.031 0.000 2.142 374 N HA -0.115 4.629 4.740 0.007 0.000 0.186 374 N C 1.594 177.114 175.510 0.016 0.000 1.023 374 N CA 0.865 53.959 53.050 0.073 0.000 0.852 374 N CB 0.036 38.644 38.487 0.202 0.000 0.998 374 N HN -0.069 nan 8.380 nan 0.000 0.424 375 V N 0.748 120.577 119.914 -0.142 0.000 2.594 375 V HA -0.137 3.988 4.120 0.007 0.000 0.253 375 V C 1.507 177.600 176.094 -0.001 0.000 1.069 375 V CA 1.158 63.394 62.300 -0.108 0.000 1.082 375 V CB -0.302 31.382 31.823 -0.232 0.000 0.680 375 V HN 0.428 nan 8.190 nan 0.000 0.469 376 M N -0.536 119.074 119.600 0.016 0.000 2.568 376 M HA 0.277 4.762 4.480 0.007 0.000 0.226 376 M C 1.645 177.972 176.300 0.045 0.000 1.148 376 M CA 0.893 56.218 55.300 0.041 0.000 1.007 376 M CB -0.623 32.013 32.600 0.060 0.000 1.651 376 M HN 0.492 nan 8.290 nan 0.000 0.488 377 G N 0.932 109.759 108.800 0.045 0.000 2.175 377 G HA2 -0.241 3.723 3.960 0.007 0.000 0.244 377 G HA3 -0.241 3.723 3.960 0.007 0.000 0.244 377 G C 0.132 175.059 174.900 0.045 0.000 0.982 377 G CA 0.232 45.358 45.100 0.042 0.000 0.641 377 G HN 0.532 nan 8.290 nan 0.000 0.527 378 E N 1.088 121.324 120.200 0.060 0.000 2.014 378 E HA 0.400 4.754 4.350 0.007 0.000 0.275 378 E C 0.508 177.163 176.600 0.092 0.000 0.997 378 E CA -0.711 55.733 56.400 0.074 0.000 0.804 378 E CB 0.132 29.884 29.700 0.087 0.000 1.090 378 E HN 0.300 nan 8.360 nan 0.000 0.401 379 K N 6.022 126.464 120.400 0.070 0.000 2.395 379 K HA 0.105 4.429 4.320 0.007 0.000 0.283 379 K C -0.817 175.896 176.600 0.188 0.000 1.068 379 K CA 0.131 56.457 56.287 0.065 0.000 1.039 379 K CB 0.175 32.662 32.500 -0.022 0.000 0.924 379 K HN 0.623 nan 8.250 nan 0.000 0.468 380 I N 3.070 123.827 120.570 0.312 0.000 2.644 380 I HA 0.178 4.352 4.170 0.007 0.000 0.291 380 I C -0.957 175.389 176.117 0.383 0.000 1.180 380 I CA -0.355 61.153 61.300 0.347 0.000 1.040 380 I CB 2.087 40.292 38.000 0.342 0.000 1.255 380 I HN 0.748 nan 8.210 nan 0.000 0.422 381 S N 5.931 121.750 115.700 0.199 0.000 2.617 381 S HA 0.567 5.041 4.470 0.007 0.000 0.283 381 S C -1.052 173.439 174.600 -0.181 0.000 1.189 381 S CA -0.423 57.741 58.200 -0.060 0.000 1.036 381 S CB 1.628 64.698 63.200 -0.217 0.000 1.014 381 S HN 0.586 nan 8.310 nan 0.000 0.522 382 Y N 1.581 121.638 120.300 -0.406 0.000 2.346 382 Y HA 0.523 5.078 4.550 0.007 0.000 0.332 382 Y C -0.805 174.937 175.900 -0.263 0.000 0.985 382 Y CA -0.746 57.038 58.100 -0.528 0.000 1.112 382 Y CB 1.798 39.848 38.460 -0.683 0.000 1.170 382 Y HN 0.974 nan 8.280 nan 0.000 0.447 383 T N 5.673 119.852 114.554 -0.625 0.000 3.103 383 T HA 0.355 4.710 4.350 0.007 0.000 0.352 383 T C -3.167 171.235 174.700 -0.495 0.000 1.048 383 T CA -1.719 60.085 62.100 -0.493 0.000 1.175 383 T CB 1.142 69.861 68.868 -0.249 0.000 1.029 383 T HN 0.461 nan 8.240 nan 0.000 0.498 384 P HA 0.215 nan 4.420 nan 0.000 0.262 384 P C -0.626 176.747 177.300 0.121 0.000 1.199 384 P CA 0.089 63.077 63.100 -0.188 0.000 0.763 384 P CB 0.443 32.090 31.700 -0.089 0.000 0.790 385 K N 1.564 122.077 120.400 0.189 0.000 2.578 385 K HA 0.288 4.612 4.320 0.007 0.000 0.269 385 K C -0.726 175.866 176.600 -0.014 0.000 0.941 385 K CA -0.941 55.388 56.287 0.069 0.000 0.847 385 K CB 0.748 33.241 32.500 -0.012 0.000 1.397 385 K HN 0.134 nan 8.250 nan 0.000 0.422 386 N N 1.066 119.636 118.700 -0.217 0.000 2.671 386 N HA -0.209 4.535 4.740 0.007 0.000 0.261 386 N C -1.387 174.026 175.510 -0.160 0.000 1.053 386 N CA 1.433 54.355 53.050 -0.212 0.000 0.732 386 N CB -1.495 36.934 38.487 -0.097 0.000 0.887 386 N HN 0.628 nan 8.380 nan 0.000 0.546 387 Y N -1.456 118.809 120.300 -0.058 0.000 2.487 387 Y HA 0.845 5.400 4.550 0.008 0.000 0.337 387 Y C -2.262 173.570 175.900 -0.113 0.000 1.076 387 Y CA -2.784 55.209 58.100 -0.179 0.000 1.115 387 Y CB 0.433 38.667 38.460 -0.377 0.000 1.235 387 Y HN -0.064 nan 8.280 nan 0.000 0.468 388 P HA 0.282 nan 4.420 nan 0.000 0.276 388 P C -1.139 176.230 177.300 0.114 0.000 1.261 388 P CA 0.129 63.273 63.100 0.073 0.000 0.800 388 P CB 1.663 33.404 31.700 0.069 0.000 1.066 389 D N -1.176 119.166 120.400 -0.097 0.000 2.615 389 D HA 0.660 5.304 4.640 0.007 0.000 0.267 389 D C -1.499 174.395 176.300 -0.677 0.000 1.236 389 D CA -0.298 53.557 54.000 -0.241 0.000 0.839 389 D CB 1.644 42.364 40.800 -0.133 0.000 1.380 389 D HN 0.361 nan 8.370 nan 0.000 0.433 390 F N 0.207 119.801 119.950 -0.593 0.000 2.807 390 F HA 0.739 5.269 4.527 0.007 0.000 0.316 390 F C -2.416 173.323 175.800 -0.101 0.000 1.162 390 F CA -1.012 56.702 58.000 -0.475 0.000 0.910 390 F CB 0.529 39.323 39.000 -0.343 0.000 1.314 390 F HN 0.353 nan 8.300 nan 0.000 0.454 391 L N -0.421 120.544 121.223 -0.430 0.000 2.775 391 L HA 0.648 4.992 4.340 0.007 0.000 0.263 391 L C -1.924 174.892 176.870 -0.089 0.000 1.017 391 L CA -0.825 53.758 54.840 -0.429 0.000 0.891 391 L CB 1.818 43.829 42.059 -0.080 0.000 1.482 391 L HN 0.807 nan 8.230 nan 0.000 0.410 392 H N -0.292 118.828 119.070 0.083 0.000 2.529 392 H HA 0.753 5.313 4.556 0.007 0.000 0.348 392 H C -0.545 174.824 175.328 0.069 0.000 1.152 392 H CA 0.186 56.325 56.048 0.153 0.000 1.202 392 H CB 2.307 32.158 29.762 0.149 0.000 1.562 392 H HN 1.005 nan 8.280 nan 0.000 0.515 393 T N -1.657 113.034 114.554 0.228 0.000 1.850 393 T HA 0.094 4.448 4.350 0.007 0.000 0.176 393 T C 0.946 175.645 174.700 -0.003 0.000 0.702 393 T CA -0.313 61.841 62.100 0.089 0.000 1.184 393 T CB 0.521 69.501 68.868 0.187 0.000 3.221 393 T HN 0.634 nan 8.240 nan 0.000 0.405 394 H N -0.397 118.767 119.070 0.156 0.000 2.586 394 H HA 0.387 4.948 4.556 0.007 0.000 0.273 394 H C -0.423 174.936 175.328 0.051 0.000 0.997 394 H CA 0.029 56.111 56.048 0.056 0.000 1.177 394 H CB 0.423 30.138 29.762 -0.079 0.000 1.471 394 H HN 0.364 nan 8.280 nan 0.000 0.538 395 Y N 0.857 121.322 120.300 0.276 0.000 2.659 395 Y HA 0.281 4.835 4.550 0.007 0.000 0.333 395 Y C 0.277 176.263 175.900 0.143 0.000 1.064 395 Y CA -1.076 57.063 58.100 0.065 0.000 1.141 395 Y CB 1.461 39.862 38.460 -0.097 0.000 1.316 395 Y HN -0.128 nan 8.280 nan 0.000 0.509 396 E N 0.767 121.091 120.200 0.206 0.000 2.197 396 E HA 0.489 4.843 4.350 0.007 0.000 0.281 396 E C -1.457 175.227 176.600 0.141 0.000 0.995 396 E CA -0.565 55.935 56.400 0.167 0.000 0.808 396 E CB 1.572 31.355 29.700 0.138 0.000 1.093 396 E HN 0.206 nan 8.360 nan 0.000 0.394 397 V N 3.044 123.060 119.914 0.171 0.000 2.350 397 V HA 0.278 4.402 4.120 0.007 0.000 0.285 397 V C -0.466 175.742 176.094 0.191 0.000 1.014 397 V CA -0.602 61.828 62.300 0.217 0.000 0.831 397 V CB 1.457 33.451 31.823 0.285 0.000 1.000 397 V HN 0.589 nan 8.190 nan 0.000 0.433 398 S N 5.559 121.262 115.700 0.005 0.000 2.503 398 S HA 0.926 5.400 4.470 0.007 0.000 0.301 398 S C -0.730 173.754 174.600 -0.193 0.000 1.087 398 S CA -0.517 57.414 58.200 -0.448 0.000 1.042 398 S CB 1.357 63.805 63.200 -1.255 0.000 1.043 398 S HN 0.630 nan 8.310 nan 0.000 0.489 399 F N 0.790 120.742 119.950 0.004 0.000 2.654 399 F HA 0.871 5.402 4.527 0.007 0.000 0.308 399 F C -1.404 174.562 175.800 0.276 0.000 1.108 399 F CA -1.481 56.658 58.000 0.231 0.000 0.957 399 F CB 0.957 40.098 39.000 0.235 0.000 1.309 399 F HN 0.479 nan 8.300 nan 0.000 0.446 400 L N -0.012 121.376 121.223 0.275 0.000 2.582 400 L HA 1.030 5.374 4.340 0.007 0.000 0.257 400 L C -0.047 176.814 176.870 -0.016 0.000 0.974 400 L CA -0.041 54.863 54.840 0.106 0.000 0.851 400 L CB 1.448 43.525 42.059 0.030 0.000 1.424 400 L HN 1.818 nan 8.230 nan 0.000 0.412 401 G N 0.994 109.785 108.800 -0.016 0.000 2.569 401 G HA2 -0.168 3.796 3.960 0.007 0.000 0.259 401 G HA3 -0.168 3.796 3.960 0.007 0.000 0.259 401 G C -0.292 174.638 174.900 0.049 0.000 1.263 401 G CA 0.171 45.254 45.100 -0.029 0.000 0.928 401 G HN 0.964 nan 8.290 nan 0.000 0.572 402 M N 1.264 120.893 119.600 0.048 0.000 2.314 402 M HA 0.550 5.034 4.480 0.007 0.000 0.342 402 M C 1.129 177.563 176.300 0.224 0.000 1.171 402 M CA 0.098 55.454 55.300 0.094 0.000 1.098 402 M CB 1.349 33.952 32.600 0.004 0.000 1.559 402 M HN 0.959 nan 8.290 nan 0.000 0.459 403 G N 0.438 109.322 108.800 0.141 0.000 2.599 403 G HA2 0.118 4.083 3.960 0.007 0.000 0.264 403 G HA3 0.118 4.083 3.960 0.007 0.000 0.264 403 G C 0.416 175.304 174.900 -0.020 0.000 1.200 403 G CA -0.347 44.740 45.100 -0.022 0.000 0.896 403 G HN 0.959 nan 8.290 nan 0.000 0.536 404 E N -0.313 119.843 120.200 -0.074 0.000 2.038 404 E HA -0.179 4.175 4.350 0.007 0.000 0.195 404 E C 2.195 178.788 176.600 -0.011 0.000 1.000 404 E CA 1.716 58.100 56.400 -0.025 0.000 0.803 404 E CB 0.029 29.715 29.700 -0.023 0.000 0.750 404 E HN 0.586 nan 8.360 nan 0.000 0.448 405 E N 0.639 120.826 120.200 -0.022 0.000 2.077 405 E HA -0.222 4.132 4.350 0.007 0.000 0.193 405 E C 1.885 178.488 176.600 0.005 0.000 0.989 405 E CA 1.419 57.813 56.400 -0.009 0.000 0.800 405 E CB -0.183 29.506 29.700 -0.019 0.000 0.746 405 E HN 0.385 nan 8.360 nan 0.000 0.452 406 E N 0.413 120.614 120.200 0.002 0.000 2.110 406 E HA -0.217 4.137 4.350 0.007 0.000 0.193 406 E C 1.944 178.568 176.600 0.040 0.000 0.988 406 E CA 1.105 57.516 56.400 0.018 0.000 0.804 406 E CB -0.110 29.600 29.700 0.017 0.000 0.745 406 E HN 0.257 nan 8.360 nan 0.000 0.458 407 A N 1.346 124.185 122.820 0.031 0.000 1.898 407 A HA -0.149 4.175 4.320 0.007 0.000 0.216 407 A C 2.202 179.865 177.584 0.132 0.000 1.181 407 A CA 1.325 53.388 52.037 0.042 0.000 0.620 407 A CB -0.401 18.577 19.000 -0.038 0.000 0.819 407 A HN 0.184 nan 8.150 nan 0.000 0.442 408 R N -0.604 119.942 120.500 0.077 0.000 2.066 408 R HA -0.065 4.279 4.340 0.007 0.000 0.232 408 R C 2.438 178.774 176.300 0.060 0.000 1.131 408 R CA 1.212 57.355 56.100 0.071 0.000 0.955 408 R CB -0.537 29.786 30.300 0.038 0.000 0.851 408 R HN 0.487 nan 8.270 nan 0.000 0.432 409 A N 1.180 124.027 122.820 0.045 0.000 2.076 409 A HA -0.070 4.254 4.320 0.007 0.000 0.220 409 A C 2.099 179.706 177.584 0.039 0.000 1.160 409 A CA 1.569 53.625 52.037 0.031 0.000 0.653 409 A CB -0.342 18.671 19.000 0.021 0.000 0.801 409 A HN 0.398 nan 8.150 nan 0.000 0.455 410 A N -1.831 121.039 122.820 0.083 0.000 2.238 410 A HA 0.418 4.742 4.320 0.007 0.000 0.208 410 A C 1.733 179.316 177.584 -0.001 0.000 1.177 410 A CA 1.121 53.216 52.037 0.096 0.000 0.804 410 A CB -0.867 18.277 19.000 0.240 0.000 0.823 410 A HN 1.831 nan 8.150 nan 0.000 0.482 411 G N -1.281 107.515 108.800 -0.006 0.000 2.141 411 G HA2 -0.237 3.727 3.960 0.007 0.000 0.242 411 G HA3 -0.237 3.727 3.960 0.007 0.000 0.242 411 G C -0.068 174.749 174.900 -0.138 0.000 0.982 411 G CA 0.369 45.418 45.100 -0.085 0.000 0.662 411 G HN 0.738 nan 8.290 nan 0.000 0.527 412 H N 0.358 119.426 119.070 -0.003 0.000 2.548 412 H HA 0.542 5.102 4.556 0.007 0.000 0.331 412 H C 0.301 175.627 175.328 -0.003 0.000 1.093 412 H CA 0.000 56.046 56.048 -0.004 0.000 1.367 412 H CB 1.223 30.983 29.762 -0.004 0.000 1.455 412 H HN 0.372 nan 8.280 nan 0.000 0.519 413 E N 4.012 124.278 120.200 0.110 0.000 2.194 413 E HA 0.340 4.694 4.350 0.007 0.000 0.284 413 E C -0.718 175.924 176.600 0.071 0.000 1.035 413 E CA -0.499 55.939 56.400 0.063 0.000 0.836 413 E CB 0.404 30.125 29.700 0.035 0.000 1.070 413 E HN 0.584 nan 8.360 nan 0.000 0.401 414 I N 1.518 122.118 120.570 0.050 0.000 3.145 414 I HA 0.730 4.905 4.170 0.007 0.000 0.313 414 I C -0.921 175.206 176.117 0.017 0.000 1.122 414 I CA -1.193 60.125 61.300 0.030 0.000 0.987 414 I CB 1.938 39.950 38.000 0.020 0.000 1.236 414 I HN 0.299 nan 8.210 nan 0.000 0.453 415 V N -0.438 119.480 119.914 0.006 0.000 3.130 415 V HA 0.936 5.060 4.120 0.007 0.000 0.310 415 V C -0.351 175.741 176.094 -0.004 0.000 1.158 415 V CA -0.056 62.246 62.300 0.004 0.000 1.029 415 V CB 1.382 33.207 31.823 0.003 0.000 1.057 415 V HN 1.106 nan 8.190 nan 0.000 0.436 416 T N -0.440 114.114 114.554 0.001 0.000 2.896 416 T HA 0.822 5.176 4.350 0.007 0.000 0.297 416 T C -0.897 173.802 174.700 -0.002 0.000 1.108 416 T CA -0.648 61.449 62.100 -0.005 0.000 1.004 416 T CB 1.912 70.787 68.868 0.012 0.000 1.159 416 T HN 0.826 nan 8.240 nan 0.000 0.499 417 I N 2.174 122.737 120.570 -0.012 0.000 2.439 417 I HA 0.513 4.687 4.170 0.007 0.000 0.285 417 I C -0.290 175.837 176.117 0.017 0.000 1.021 417 I CA -0.806 60.500 61.300 0.011 0.000 1.091 417 I CB 1.745 39.758 38.000 0.021 0.000 1.242 417 I HN 0.853 nan 8.210 nan 0.000 0.439 418 K N 6.017 126.420 120.400 0.004 0.000 2.469 418 K HA 0.785 5.109 4.320 0.007 0.000 0.268 418 K C -1.622 174.934 176.600 -0.074 0.000 1.027 418 K CA -1.040 55.202 56.287 -0.075 0.000 0.893 418 K CB 2.792 35.187 32.500 -0.175 0.000 1.460 418 K HN 0.273 nan 8.250 nan 0.000 0.449 419 M N 1.615 121.093 119.600 -0.202 0.000 2.371 419 M HA 0.390 4.874 4.480 0.007 0.000 0.287 419 M C -2.825 173.330 176.300 -0.243 0.000 1.149 419 M CA -2.178 53.055 55.300 -0.113 0.000 0.929 419 M CB 2.068 34.686 32.600 0.030 0.000 1.683 419 M HN 0.602 nan 8.290 nan 0.000 0.470 420 P HA 0.378 nan 4.420 nan 0.000 0.276 420 P C -2.767 174.557 177.300 0.041 0.000 1.261 420 P CA -1.068 62.047 63.100 0.026 0.000 0.800 420 P CB -0.402 31.341 31.700 0.071 0.000 1.066 421 P HA 0.070 nan 4.420 nan 0.000 0.274 421 P C -0.299 177.040 177.300 0.064 0.000 1.237 421 P CA 0.073 63.201 63.100 0.046 0.000 0.793 421 P CB 0.489 32.210 31.700 0.034 0.000 0.977 422 D N 1.276 121.713 120.400 0.063 0.000 2.435 422 D HA 0.146 4.791 4.640 0.007 0.000 0.230 422 D C 0.315 176.642 176.300 0.045 0.000 1.215 422 D CA 0.571 54.608 54.000 0.063 0.000 0.947 422 D CB 0.119 40.955 40.800 0.060 0.000 1.048 422 D HN 0.397 nan 8.370 nan 0.000 0.512 423 T N -0.973 113.607 114.554 0.044 0.000 2.838 423 T HA 0.258 4.612 4.350 0.007 0.000 0.292 423 T C 1.171 175.889 174.700 0.030 0.000 1.113 423 T CA -0.761 61.359 62.100 0.033 0.000 1.008 423 T CB 1.444 70.330 68.868 0.030 0.000 1.259 423 T HN 0.268 nan 8.240 nan 0.000 0.520 424 E N 0.427 120.640 120.200 0.022 0.000 2.418 424 E HA -0.088 4.266 4.350 0.007 0.000 0.197 424 E C 1.201 177.812 176.600 0.019 0.000 1.026 424 E CA 0.938 57.348 56.400 0.017 0.000 0.862 424 E CB -0.541 29.166 29.700 0.012 0.000 0.799 424 E HN 0.706 nan 8.360 nan 0.000 0.518 425 N N 0.669 119.384 118.700 0.024 0.000 2.463 425 N HA 0.047 4.791 4.740 0.007 0.000 0.181 425 N C 1.055 176.588 175.510 0.039 0.000 1.078 425 N CA 0.093 53.159 53.050 0.027 0.000 0.902 425 N CB 0.225 38.729 38.487 0.028 0.000 0.970 425 N HN 0.345 nan 8.380 nan 0.000 0.451 426 G N 1.712 110.538 108.800 0.044 0.000 2.634 426 G HA2 -0.360 3.604 3.960 0.007 0.000 0.309 426 G HA3 -0.360 3.604 3.960 0.007 0.000 0.309 426 G C 0.569 175.525 174.900 0.092 0.000 1.265 426 G CA 0.260 45.398 45.100 0.062 0.000 0.998 426 G HN 0.197 nan 8.290 nan 0.000 0.551 427 L N 1.581 122.876 121.223 0.120 0.000 2.554 427 L HA 0.136 4.481 4.340 0.007 0.000 0.226 427 L C 1.324 178.301 176.870 0.178 0.000 1.137 427 L CA 0.269 55.217 54.840 0.179 0.000 0.863 427 L CB -0.287 41.935 42.059 0.273 0.000 0.985 427 L HN 0.364 nan 8.230 nan 0.000 0.451 428 N N 1.704 120.482 118.700 0.129 0.000 3.115 428 N HA 0.084 4.828 4.740 0.007 0.000 0.305 428 N C -0.429 175.131 175.510 0.084 0.000 1.305 428 N CA 0.258 53.379 53.050 0.118 0.000 1.154 428 N CB 0.193 38.721 38.487 0.069 0.000 1.454 428 N HN 0.138 nan 8.380 nan 0.000 0.551 429 V N -4.126 115.840 119.914 0.087 0.000 3.049 429 V HA 0.653 4.777 4.120 0.007 0.000 0.309 429 V C 0.568 176.690 176.094 0.046 0.000 1.148 429 V CA -1.283 61.047 62.300 0.049 0.000 0.990 429 V CB 1.519 33.368 31.823 0.044 0.000 1.039 429 V HN 0.001 nan 8.190 nan 0.000 0.430 430 A N 3.391 126.210 122.820 -0.002 0.000 2.150 430 A HA 0.558 4.883 4.320 0.007 0.000 0.220 430 A C 0.246 177.855 177.584 0.041 0.000 1.356 430 A CA 0.528 52.553 52.037 -0.020 0.000 1.145 430 A CB -1.283 17.617 19.000 -0.166 0.000 0.826 430 A HN 0.800 nan 8.150 nan 0.000 0.524 431 L N -0.398 120.864 121.223 0.066 0.000 2.465 431 L HA 0.417 4.762 4.340 0.007 0.000 0.257 431 L C -2.502 174.419 176.870 0.086 0.000 0.988 431 L CA -2.369 52.524 54.840 0.088 0.000 0.827 431 L CB 3.105 45.196 42.059 0.053 0.000 1.397 431 L HN 0.000 nan 8.230 nan 0.000 0.410 432 P HA 0.364 nan 4.420 nan 0.000 0.274 432 P C -1.410 176.034 177.300 0.240 0.000 1.256 432 P CA -0.226 63.005 63.100 0.219 0.000 0.795 432 P CB 1.524 33.299 31.700 0.126 0.000 1.038 433 A N 0.204 123.250 122.820 0.377 0.000 2.594 433 A HA 0.664 4.988 4.320 0.007 0.000 0.296 433 A C -0.572 177.133 177.584 0.201 0.000 1.061 433 A CA -0.034 52.151 52.037 0.248 0.000 0.689 433 A CB 0.715 19.840 19.000 0.209 0.000 1.280 433 A HN 0.789 nan 8.150 nan 0.000 0.406 434 S N 0.189 115.974 115.700 0.142 0.000 2.764 434 S HA 0.417 4.891 4.470 0.007 0.000 0.289 434 S C -1.588 173.060 174.600 0.081 0.000 1.235 434 S CA -0.796 57.437 58.200 0.056 0.000 1.081 434 S CB 0.014 63.228 63.200 0.023 0.000 1.319 434 S HN 0.709 nan 8.310 nan 0.000 0.492 435 D N 1.909 122.339 120.400 0.049 0.000 2.531 435 D HA 0.202 4.846 4.640 0.007 0.000 0.239 435 D C 0.416 176.788 176.300 0.121 0.000 1.144 435 D CA 0.561 54.593 54.000 0.053 0.000 0.869 435 D CB 0.079 40.895 40.800 0.027 0.000 1.160 435 D HN 0.554 nan 8.370 nan 0.000 0.484 436 R N 0.564 121.109 120.500 0.074 0.000 3.892 436 R HA -0.162 4.183 4.340 0.007 0.000 0.441 436 R C 1.047 177.474 176.300 0.212 0.000 1.052 436 R CA 1.531 57.665 56.100 0.056 0.000 1.190 436 R CB -2.878 27.375 30.300 -0.078 0.000 1.808 436 R HN 0.672 nan 8.270 nan 0.000 0.538 437 T N -4.407 110.308 114.554 0.269 0.000 3.111 437 T HA 0.282 4.636 4.350 0.007 0.000 0.284 437 T C 1.514 176.383 174.700 0.282 0.000 0.983 437 T CA -0.374 61.962 62.100 0.393 0.000 0.900 437 T CB 0.145 69.292 68.868 0.466 0.000 1.132 437 T HN -0.147 nan 8.240 nan 0.000 0.531 438 M N 1.311 121.008 119.600 0.162 0.000 2.132 438 M HA 0.233 4.717 4.480 0.007 0.000 0.263 438 M C 2.071 178.481 176.300 0.183 0.000 1.065 438 M CA 1.116 56.518 55.300 0.170 0.000 1.122 438 M CB -1.363 31.251 32.600 0.023 0.000 1.365 438 M HN 0.314 nan 8.290 nan 0.000 0.411 439 L N -1.356 119.866 121.223 -0.001 0.000 2.012 439 L HA -0.253 4.091 4.340 0.007 0.000 0.210 439 L C 2.518 179.533 176.870 0.241 0.000 1.073 439 L CA 1.579 56.351 54.840 -0.114 0.000 0.748 439 L CB -0.859 40.898 42.059 -0.503 0.000 0.891 439 L HN 0.224 nan 8.230 nan 0.000 0.431 440 Y N -0.575 119.955 120.300 0.384 0.000 2.181 440 Y HA -0.279 4.275 4.550 0.007 0.000 0.288 440 Y C 2.677 178.744 175.900 0.278 0.000 1.146 440 Y CA 0.544 58.864 58.100 0.367 0.000 1.164 440 Y CB -0.400 38.222 38.460 0.269 0.000 0.982 440 Y HN 0.187 nan 8.280 nan 0.000 0.515 441 A N -0.313 122.763 122.820 0.427 0.000 1.940 441 A HA -0.181 4.143 4.320 0.007 0.000 0.219 441 A C 1.644 179.325 177.584 0.162 0.000 1.176 441 A CA 1.611 53.817 52.037 0.281 0.000 0.631 441 A CB -0.883 18.302 19.000 0.307 0.000 0.814 441 A HN 0.482 nan 8.150 nan 0.000 0.446 442 F N -0.335 119.712 119.950 0.161 0.000 2.731 442 F HA 0.279 4.810 4.527 0.007 0.000 0.298 442 F C 1.711 177.621 175.800 0.183 0.000 1.106 442 F CA -0.203 57.876 58.000 0.132 0.000 1.329 442 F CB -0.211 38.829 39.000 0.066 0.000 1.100 442 F HN 0.202 nan 8.300 nan 0.000 0.592 443 G N 0.828 109.888 108.800 0.433 0.000 2.527 443 G HA2 0.048 4.012 3.960 0.007 0.000 0.248 443 G HA3 0.048 4.012 3.960 0.007 0.000 0.248 443 G C -0.210 174.878 174.900 0.313 0.000 1.231 443 G CA -0.555 44.843 45.100 0.497 0.000 0.838 443 G HN -0.008 nan 8.290 nan 0.000 0.570 444 K N 0.956 121.518 120.400 0.270 0.000 2.419 444 K HA 0.235 4.560 4.320 0.007 0.000 0.282 444 K C 1.307 177.984 176.600 0.128 0.000 1.056 444 K CA 0.848 57.233 56.287 0.164 0.000 1.035 444 K CB -0.207 32.372 32.500 0.132 0.000 0.921 444 K HN 1.091 nan 8.250 nan 0.000 0.472 445 G N 3.246 112.118 108.800 0.120 0.000 2.166 445 G HA2 -0.320 3.645 3.960 0.007 0.000 0.260 445 G HA3 -0.320 3.645 3.960 0.007 0.000 0.260 445 G C 0.556 175.569 174.900 0.187 0.000 0.986 445 G CA 1.084 46.259 45.100 0.125 0.000 0.683 445 G HN 0.759 nan 8.290 nan 0.000 0.527 446 T N -3.465 111.191 114.554 0.169 0.000 3.054 446 T HA 0.606 4.960 4.350 0.007 0.000 0.255 446 T C 2.297 177.042 174.700 0.075 0.000 1.035 446 T CA 1.123 63.283 62.100 0.099 0.000 0.941 446 T CB 0.486 69.453 68.868 0.166 0.000 1.026 446 T HN 1.261 nan 8.240 nan 0.000 0.533 447 A N 3.149 126.071 122.820 0.170 0.000 2.032 447 A HA -0.219 4.105 4.320 0.007 0.000 0.221 447 A C 2.231 179.896 177.584 0.134 0.000 1.165 447 A CA 1.754 53.883 52.037 0.154 0.000 0.645 447 A CB -1.111 17.964 19.000 0.126 0.000 0.807 447 A HN 0.900 nan 8.150 nan 0.000 0.453 448 H N -1.599 117.531 119.070 0.100 0.000 2.521 448 H HA 0.096 4.656 4.556 0.007 0.000 0.286 448 H C 1.453 176.878 175.328 0.163 0.000 1.034 448 H CA 1.249 57.371 56.048 0.122 0.000 1.278 448 H CB -0.572 29.235 29.762 0.075 0.000 1.386 448 H HN 0.542 nan 8.280 nan 0.000 0.567 449 M N 1.454 120.782 119.600 -0.453 0.000 2.561 449 M HA 0.009 4.493 4.480 0.007 0.000 0.238 449 M C 1.855 178.157 176.300 0.004 0.000 1.131 449 M CA 0.562 55.660 55.300 -0.337 0.000 1.046 449 M CB 0.254 32.377 32.600 -0.795 0.000 1.532 449 M HN 0.290 nan 8.290 nan 0.000 0.497 450 S N -0.323 115.462 115.700 0.142 0.000 2.603 450 S HA 0.298 4.772 4.470 0.007 0.000 0.229 450 S C 0.980 175.671 174.600 0.151 0.000 0.972 450 S CA 0.323 58.680 58.200 0.263 0.000 0.935 450 S CB -0.417 62.926 63.200 0.239 0.000 0.769 450 S HN 0.621 nan 8.310 nan 0.000 0.536 451 G N 0.040 108.851 108.800 0.018 0.000 2.408 451 G HA2 0.254 4.218 3.960 0.007 0.000 0.682 451 G HA3 0.254 4.218 3.960 0.007 0.000 0.682 451 G C -1.346 173.250 174.900 -0.505 0.000 1.303 451 G CA -0.578 44.362 45.100 -0.266 0.000 0.966 451 G HN 0.758 nan 8.290 nan 0.000 0.560 452 F N 0.915 120.375 119.950 -0.817 0.000 2.628 452 F HA 0.765 5.296 4.527 0.007 0.000 0.309 452 F C -0.541 175.019 175.800 -0.400 0.000 1.108 452 F CA -0.067 57.504 58.000 -0.715 0.000 0.971 452 F CB 1.991 40.304 39.000 -1.144 0.000 1.279 452 F HN 1.058 nan 8.300 nan 0.000 0.441 453 Q N 4.654 123.874 119.800 -0.967 0.000 2.522 453 Q HA 0.551 4.895 4.340 0.007 0.000 0.285 453 Q C -2.201 173.605 176.000 -0.324 0.000 0.982 453 Q CA -1.269 54.320 55.803 -0.357 0.000 0.805 453 Q CB 3.180 31.895 28.738 -0.039 0.000 1.457 453 Q HN 0.733 nan 8.270 nan 0.000 0.394 454 K N 1.591 122.079 120.400 0.147 0.000 2.589 454 K HA 0.458 4.782 4.320 0.007 0.000 0.265 454 K C -1.826 174.777 176.600 0.004 0.000 0.935 454 K CA -0.657 55.670 56.287 0.067 0.000 0.850 454 K CB 1.813 34.326 32.500 0.021 0.000 1.372 454 K HN 0.824 nan 8.250 nan 0.000 0.420 455 I N 0.405 120.849 120.570 -0.211 0.000 2.530 455 I HA 0.581 4.755 4.170 0.007 0.000 0.297 455 I C -0.702 175.341 176.117 -0.124 0.000 1.011 455 I CA -1.255 59.838 61.300 -0.345 0.000 1.107 455 I CB 2.017 39.628 38.000 -0.648 0.000 1.285 455 I HN 0.130 nan 8.210 nan 0.000 0.436 456 V N 6.333 126.203 119.914 -0.073 0.000 2.435 456 V HA 0.531 4.655 4.120 0.007 0.000 0.290 456 V C 0.025 176.069 176.094 -0.084 0.000 1.030 456 V CA -0.320 61.958 62.300 -0.038 0.000 0.881 456 V CB 1.570 33.401 31.823 0.014 0.000 0.983 456 V HN 0.557 nan 8.190 nan 0.000 0.445 457 I N 3.094 123.624 120.570 -0.068 0.000 2.608 457 I HA 0.382 4.556 4.170 0.007 0.000 0.295 457 I C -0.307 175.784 176.117 -0.044 0.000 1.049 457 I CA -0.567 60.692 61.300 -0.068 0.000 1.063 457 I CB 2.177 40.143 38.000 -0.056 0.000 1.248 457 I HN 0.529 nan 8.210 nan 0.000 0.424 458 D N 4.444 124.821 120.400 -0.039 0.000 2.339 458 D HA 0.183 4.827 4.640 0.007 0.000 0.256 458 D C 0.917 177.229 176.300 0.021 0.000 1.214 458 D CA 0.053 54.061 54.000 0.014 0.000 0.877 458 D CB 1.850 42.681 40.800 0.053 0.000 1.111 458 D HN 0.732 nan 8.370 nan 0.000 0.478 459 A N 5.403 128.240 122.820 0.028 0.000 2.024 459 A HA -0.197 4.128 4.320 0.007 0.000 0.220 459 A C 1.921 179.516 177.584 0.019 0.000 1.164 459 A CA 1.227 53.275 52.037 0.019 0.000 0.643 459 A CB 0.006 19.018 19.000 0.020 0.000 0.806 459 A HN 0.486 nan 8.150 nan 0.000 0.451 460 K N -0.921 119.495 120.400 0.028 0.000 2.121 460 K HA -0.008 4.316 4.320 0.007 0.000 0.203 460 K C 2.164 178.775 176.600 0.019 0.000 1.041 460 K CA 1.743 58.043 56.287 0.021 0.000 0.969 460 K CB -1.286 31.227 32.500 0.022 0.000 0.799 460 K HN 0.627 nan 8.250 nan 0.000 0.456 461 T N -1.173 113.398 114.554 0.028 0.000 3.055 461 T HA 0.058 4.412 4.350 0.007 0.000 0.265 461 T C 0.723 175.429 174.700 0.009 0.000 1.111 461 T CA 0.222 62.335 62.100 0.021 0.000 1.118 461 T CB -0.036 68.852 68.868 0.033 0.000 0.909 461 T HN 0.269 nan 8.240 nan 0.000 0.501 462 R N 0.115 120.619 120.500 0.006 0.000 3.989 462 R HA -0.117 4.227 4.340 0.007 0.000 0.377 462 R C -0.397 175.892 176.300 -0.019 0.000 1.158 462 R CA 0.924 57.020 56.100 -0.006 0.000 1.035 462 R CB -1.899 28.398 30.300 -0.005 0.000 1.557 462 R HN 0.479 nan 8.270 nan 0.000 0.551 463 K N 1.224 121.612 120.400 -0.020 0.000 2.218 463 K HA 0.314 4.639 4.320 0.007 0.000 0.276 463 K C 0.269 176.827 176.600 -0.070 0.000 1.022 463 K CA -0.351 55.912 56.287 -0.039 0.000 0.946 463 K CB 1.397 33.879 32.500 -0.030 0.000 1.000 463 K HN -0.178 nan 8.250 nan 0.000 0.468 464 V N 5.372 125.233 119.914 -0.089 0.000 2.470 464 V HA 0.012 4.136 4.120 0.007 0.000 0.276 464 V C 1.152 177.166 176.094 -0.134 0.000 1.040 464 V CA 0.128 62.352 62.300 -0.126 0.000 1.008 464 V CB 0.458 32.187 31.823 -0.157 0.000 0.990 464 V HN 0.683 nan 8.190 nan 0.000 0.477 465 L N 4.267 125.404 121.223 -0.144 0.000 2.513 465 L HA 0.508 4.853 4.340 0.007 0.000 0.222 465 L C 1.006 177.806 176.870 -0.117 0.000 1.096 465 L CA 0.524 55.270 54.840 -0.156 0.000 0.857 465 L CB 0.119 42.038 42.059 -0.234 0.000 1.026 465 L HN 0.783 nan 8.230 nan 0.000 0.469 466 G N -0.245 108.486 108.800 -0.115 0.000 2.632 466 G HA2 0.678 4.643 3.960 0.007 0.000 0.292 466 G HA3 0.678 4.643 3.960 0.007 0.000 0.292 466 G C -2.110 172.651 174.900 -0.232 0.000 1.465 466 G CA 0.049 45.083 45.100 -0.110 0.000 0.824 466 G HN -0.007 nan 8.290 nan 0.000 0.509 467 A N 1.161 123.713 122.820 -0.448 0.000 2.486 467 A HA 0.924 5.248 4.320 0.007 0.000 0.300 467 A C -1.164 176.221 177.584 -0.333 0.000 1.048 467 A CA -0.723 51.081 52.037 -0.388 0.000 0.696 467 A CB 1.488 20.180 19.000 -0.513 0.000 1.278 467 A HN 0.855 nan 8.150 nan 0.000 0.405 468 H N 1.594 120.958 119.070 0.490 0.000 2.894 468 H HA 0.548 5.108 4.556 0.007 0.000 0.367 468 H C -1.580 174.100 175.328 0.587 0.000 1.144 468 H CA -0.407 55.969 56.048 0.547 0.000 1.180 468 H CB 2.175 32.148 29.762 0.351 0.000 1.758 468 H HN 0.838 nan 8.280 nan 0.000 0.541 469 H N 1.270 120.558 119.070 0.363 0.000 3.029 469 H HA 0.343 4.903 4.556 0.007 0.000 0.358 469 H C -1.971 173.386 175.328 0.049 0.000 1.129 469 H CA -0.421 55.722 56.048 0.159 0.000 1.230 469 H CB 1.950 31.758 29.762 0.077 0.000 1.827 469 H HN 0.379 nan 8.280 nan 0.000 0.530 470 V N 4.680 124.292 119.914 -0.502 0.000 2.525 470 V HA 0.673 4.798 4.120 0.007 0.000 0.299 470 V C 0.522 176.241 176.094 -0.625 0.000 1.034 470 V CA 0.376 62.471 62.300 -0.341 0.000 0.863 470 V CB 1.019 32.742 31.823 -0.168 0.000 0.999 470 V HN 1.075 nan 8.190 nan 0.000 0.423 471 G N 4.073 112.670 108.800 -0.339 0.000 2.579 471 G HA2 0.261 4.225 3.960 0.007 0.000 0.080 471 G HA3 0.261 4.225 3.960 0.007 0.000 0.080 471 G C -1.813 172.857 174.900 -0.384 0.000 1.040 471 G CA -0.295 44.655 45.100 -0.250 0.000 1.118 471 G HN 0.456 nan 8.290 nan 0.000 0.485 472 Y N -0.689 119.845 120.300 0.389 0.000 2.571 472 Y HA 0.517 5.071 4.550 0.007 0.000 0.341 472 Y C 0.910 176.883 175.900 0.122 0.000 1.076 472 Y CA 0.235 58.481 58.100 0.244 0.000 1.029 472 Y CB 2.337 40.922 38.460 0.209 0.000 1.308 472 Y HN 1.945 nan 8.280 nan 0.000 0.461 473 G N 0.160 109.074 108.800 0.190 0.000 2.159 473 G HA2 -0.242 3.722 3.960 0.007 0.000 0.256 473 G HA3 -0.242 3.722 3.960 0.007 0.000 0.256 473 G C 0.578 175.424 174.900 -0.091 0.000 0.977 473 G CA 0.576 45.703 45.100 0.044 0.000 0.652 473 G HN 1.219 nan 8.290 nan 0.000 0.531 474 A N -0.359 122.320 122.820 -0.236 0.000 2.167 474 A HA 0.526 4.851 4.320 0.007 0.000 0.208 474 A C 1.840 179.310 177.584 -0.190 0.000 1.198 474 A CA 1.681 53.514 52.037 -0.340 0.000 0.863 474 A CB -0.115 18.303 19.000 -0.970 0.000 0.904 474 A HN 0.510 nan 8.150 nan 0.000 0.484 475 K N 0.561 120.802 120.400 -0.264 0.000 2.044 475 K HA -0.288 4.036 4.320 0.007 0.000 0.210 475 K C 1.560 178.062 176.600 -0.163 0.000 1.049 475 K CA 2.250 58.350 56.287 -0.313 0.000 0.927 475 K CB -0.296 31.914 32.500 -0.483 0.000 0.713 475 K HN 0.355 nan 8.250 nan 0.000 0.443 476 D N -0.502 119.834 120.400 -0.108 0.000 2.117 476 D HA -0.104 4.540 4.640 0.007 0.000 0.197 476 D C 1.712 178.043 176.300 0.051 0.000 0.987 476 D CA 1.396 55.372 54.000 -0.041 0.000 0.829 476 D CB -0.050 40.768 40.800 0.030 0.000 0.961 476 D HN 0.403 nan 8.370 nan 0.000 0.460 477 A N -0.499 122.396 122.820 0.126 0.000 1.933 477 A HA -0.141 4.183 4.320 0.007 0.000 0.218 477 A C 1.915 179.616 177.584 0.194 0.000 1.175 477 A CA 0.910 53.070 52.037 0.206 0.000 0.628 477 A CB -1.016 18.065 19.000 0.136 0.000 0.814 477 A HN 0.291 nan 8.150 nan 0.000 0.444 478 F N 0.469 120.372 119.950 -0.079 0.000 2.269 478 F HA -0.171 4.360 4.527 0.007 0.000 0.301 478 F C 2.588 178.306 175.800 -0.138 0.000 1.082 478 F CA 1.470 59.422 58.000 -0.079 0.000 1.360 478 F CB -0.557 38.387 39.000 -0.093 0.000 1.041 478 F HN 0.364 nan 8.300 nan 0.000 0.512 479 Q N -1.285 118.456 119.800 -0.098 0.000 2.050 479 Q HA -0.229 4.116 4.340 0.007 0.000 0.202 479 Q C 1.999 177.784 176.000 -0.358 0.000 0.980 479 Q CA 2.208 57.807 55.803 -0.339 0.000 0.840 479 Q CB -0.459 27.870 28.738 -0.681 0.000 0.898 479 Q HN 0.494 nan 8.270 nan 0.000 0.424 480 Y N -0.376 119.918 120.300 -0.009 0.000 2.269 480 Y HA -0.105 4.449 4.550 0.007 0.000 0.294 480 Y C 2.091 177.962 175.900 -0.048 0.000 1.120 480 Y CA 0.091 58.178 58.100 -0.022 0.000 1.159 480 Y CB -0.121 38.331 38.460 -0.013 0.000 1.024 480 Y HN 0.091 nan 8.280 nan 0.000 0.532 481 L N 1.066 122.321 121.223 0.053 0.000 2.079 481 L HA -0.243 4.101 4.340 0.007 0.000 0.210 481 L C 1.856 178.661 176.870 -0.109 0.000 1.081 481 L CA 1.878 56.682 54.840 -0.060 0.000 0.752 481 L CB -0.964 40.981 42.059 -0.190 0.000 0.896 481 L HN 0.182 nan 8.230 nan 0.000 0.433 482 N N -1.020 117.604 118.700 -0.128 0.000 2.149 482 N HA -0.176 4.568 4.740 0.007 0.000 0.188 482 N C 1.731 177.202 175.510 -0.065 0.000 1.019 482 N CA 1.610 54.592 53.050 -0.114 0.000 0.857 482 N CB -0.175 38.255 38.487 -0.095 0.000 0.997 482 N HN 0.269 nan 8.380 nan 0.000 0.426 483 V N 0.690 120.585 119.914 -0.031 0.000 2.343 483 V HA -0.204 3.920 4.120 0.007 0.000 0.247 483 V C 2.280 178.373 176.094 -0.002 0.000 1.051 483 V CA 1.361 63.660 62.300 -0.001 0.000 1.036 483 V CB -0.556 31.292 31.823 0.042 0.000 0.654 483 V HN 0.346 nan 8.190 nan 0.000 0.451 484 L N -0.765 120.456 121.223 -0.003 0.000 2.046 484 L HA -0.183 4.162 4.340 0.007 0.000 0.208 484 L C 2.355 179.206 176.870 -0.033 0.000 1.077 484 L CA 1.637 56.471 54.840 -0.010 0.000 0.747 484 L CB -0.474 41.580 42.059 -0.008 0.000 0.896 484 L HN 0.267 nan 8.230 nan 0.000 0.432 485 I N -0.235 120.300 120.570 -0.059 0.000 2.226 485 I HA -0.301 3.874 4.170 0.007 0.000 0.245 485 I C 2.395 178.480 176.117 -0.054 0.000 1.100 485 I CA 1.401 62.656 61.300 -0.075 0.000 1.374 485 I CB -0.252 37.678 38.000 -0.116 0.000 1.057 485 I HN 0.202 nan 8.210 nan 0.000 0.413 486 K N 0.361 120.735 120.400 -0.043 0.000 2.280 486 K HA -0.183 4.141 4.320 0.007 0.000 0.202 486 K C 1.947 178.538 176.600 -0.014 0.000 1.047 486 K CA 0.977 57.247 56.287 -0.028 0.000 0.942 486 K CB -0.072 32.417 32.500 -0.018 0.000 0.739 486 K HN 0.428 nan 8.250 nan 0.000 0.457 487 Q N -0.672 119.121 119.800 -0.012 0.000 2.432 487 Q HA 0.017 4.361 4.340 0.007 0.000 0.205 487 Q C 0.394 176.390 176.000 -0.008 0.000 0.945 487 Q CA 0.582 56.382 55.803 -0.004 0.000 0.924 487 Q CB 0.689 29.427 28.738 0.001 0.000 1.016 487 Q HN 0.475 nan 8.270 nan 0.000 0.503 488 G N 1.412 110.202 108.800 -0.017 0.000 2.309 488 G HA2 -0.193 3.771 3.960 0.007 0.000 0.183 488 G HA3 -0.193 3.771 3.960 0.007 0.000 0.183 488 G C -0.592 174.295 174.900 -0.022 0.000 1.063 488 G CA -0.478 44.612 45.100 -0.018 0.000 0.768 488 G HN 0.198 nan 8.290 nan 0.000 0.490 489 L N 2.521 123.725 121.223 -0.033 0.000 2.462 489 L HA 0.620 4.965 4.340 0.007 0.000 0.272 489 L C 1.170 178.016 176.870 -0.040 0.000 1.166 489 L CA 0.975 55.794 54.840 -0.035 0.000 0.880 489 L CB 0.523 42.553 42.059 -0.048 0.000 1.142 489 L HN 0.564 nan 8.230 nan 0.000 0.473 490 T N 1.196 115.733 114.554 -0.028 0.000 2.944 490 T HA 0.263 4.617 4.350 0.007 0.000 0.284 490 T C 0.994 175.677 174.700 -0.028 0.000 1.010 490 T CA -0.194 61.890 62.100 -0.027 0.000 1.025 490 T CB 1.426 70.285 68.868 -0.016 0.000 1.079 490 T HN 0.419 nan 8.240 nan 0.000 0.516 491 V N 0.884 120.781 119.914 -0.028 0.000 2.594 491 V HA -0.124 4.000 4.120 0.007 0.000 0.253 491 V C 1.627 177.716 176.094 -0.007 0.000 1.069 491 V CA 2.330 64.617 62.300 -0.022 0.000 1.082 491 V CB -1.131 30.678 31.823 -0.022 0.000 0.680 491 V HN 0.951 nan 8.190 nan 0.000 0.469 492 D N -0.345 120.051 120.400 -0.007 0.000 2.103 492 D HA -0.150 4.494 4.640 0.007 0.000 0.199 492 D C 2.129 178.429 176.300 0.001 0.000 0.978 492 D CA 1.531 55.530 54.000 -0.001 0.000 0.829 492 D CB -0.108 40.691 40.800 -0.002 0.000 0.981 492 D HN 0.576 nan 8.370 nan 0.000 0.464 493 E N 0.062 120.260 120.200 -0.002 0.000 2.106 493 E HA -0.125 4.229 4.350 0.007 0.000 0.192 493 E C 1.834 178.437 176.600 0.004 0.000 0.984 493 E CA 0.281 56.681 56.400 -0.001 0.000 0.806 493 E CB 0.004 29.701 29.700 -0.005 0.000 0.750 493 E HN 0.128 nan 8.360 nan 0.000 0.458 494 L N 0.746 121.971 121.223 0.003 0.000 2.046 494 L HA -0.031 4.313 4.340 0.007 0.000 0.208 494 L C 2.189 179.078 176.870 0.032 0.000 1.077 494 L CA 2.139 56.989 54.840 0.017 0.000 0.747 494 L CB -0.950 41.114 42.059 0.009 0.000 0.896 494 L HN 0.107 nan 8.230 nan 0.000 0.432 495 G N -1.716 107.098 108.800 0.024 0.000 2.509 495 G HA2 -0.264 3.701 3.960 0.007 0.000 0.218 495 G HA3 -0.264 3.701 3.960 0.007 0.000 0.218 495 G C 1.111 176.023 174.900 0.019 0.000 1.124 495 G CA 0.764 45.880 45.100 0.027 0.000 0.776 495 G HN 0.444 nan 8.290 nan 0.000 0.547 496 D N -0.343 120.065 120.400 0.014 0.000 2.328 496 D HA 0.187 4.832 4.640 0.007 0.000 0.221 496 D C 1.391 177.697 176.300 0.011 0.000 1.072 496 D CA -0.203 53.803 54.000 0.010 0.000 0.850 496 D CB -0.029 40.775 40.800 0.005 0.000 0.922 496 D HN 0.205 nan 8.370 nan 0.000 0.516 497 M N -0.024 119.587 119.600 0.018 0.000 2.159 497 M HA 0.170 4.654 4.480 0.007 0.000 0.293 497 M C -0.106 176.207 176.300 0.021 0.000 1.186 497 M CA -0.171 55.140 55.300 0.019 0.000 1.073 497 M CB 0.716 33.331 32.600 0.026 0.000 1.419 497 M HN -0.185 nan 8.290 nan 0.000 0.490 498 D N 2.255 122.667 120.400 0.019 0.000 2.359 498 D HA 0.126 4.770 4.640 0.007 0.000 0.230 498 D C -0.274 176.048 176.300 0.037 0.000 1.118 498 D CA -0.178 53.836 54.000 0.022 0.000 0.844 498 D CB 0.696 41.504 40.800 0.014 0.000 1.059 498 D HN 0.437 nan 8.370 nan 0.000 0.493 499 E N 2.238 122.471 120.200 0.055 0.000 2.345 499 E HA 0.241 4.595 4.350 0.007 0.000 0.259 499 E C -0.573 176.086 176.600 0.099 0.000 1.117 499 E CA -0.540 55.913 56.400 0.088 0.000 0.913 499 E CB 1.490 31.268 29.700 0.130 0.000 1.057 499 E HN 0.350 nan 8.360 nan 0.000 0.432 500 L N 2.737 124.028 121.223 0.112 0.000 2.408 500 L HA 0.314 4.659 4.340 0.007 0.000 0.257 500 L C -0.474 176.493 176.870 0.161 0.000 1.053 500 L CA -0.812 54.092 54.840 0.107 0.000 0.922 500 L CB 0.242 42.332 42.059 0.052 0.000 1.261 500 L HN 0.450 nan 8.230 nan 0.000 0.458 501 F N 2.603 122.575 119.950 0.036 0.000 2.471 501 F HA 0.285 4.817 4.527 0.007 0.000 0.353 501 F C 0.081 175.910 175.800 0.047 0.000 1.113 501 F CA -0.159 57.873 58.000 0.053 0.000 1.262 501 F CB 0.822 39.846 39.000 0.040 0.000 1.146 501 F HN 0.154 nan 8.300 nan 0.000 0.578 502 L N 5.861 126.848 121.223 -0.393 0.000 2.319 502 L HA 0.186 4.530 4.340 0.007 0.000 0.280 502 L C -0.448 176.270 176.870 -0.253 0.000 1.099 502 L CA -0.175 54.135 54.840 -0.883 0.000 0.828 502 L CB 0.393 42.018 42.059 -0.724 0.000 1.150 502 L HN 0.584 nan 8.230 nan 0.000 0.442 503 N N 3.637 122.304 118.700 -0.055 0.000 2.430 503 N HA 0.431 5.175 4.740 0.007 0.000 0.292 503 N C -2.403 173.017 175.510 -0.149 0.000 1.051 503 N CA -2.385 50.659 53.050 -0.010 0.000 0.917 503 N CB 0.807 39.336 38.487 0.069 0.000 1.164 503 N HN 0.131 nan 8.380 nan 0.000 0.484 504 P HA -0.133 nan 4.420 nan 0.000 0.216 504 P C -0.018 177.045 177.300 -0.395 0.000 1.153 504 P CA 1.958 64.949 63.100 -0.183 0.000 0.858 504 P CB 0.010 31.615 31.700 -0.159 0.000 0.789 505 T N -3.205 111.060 114.554 -0.480 0.000 2.771 505 T HA 0.253 4.608 4.350 0.007 0.000 0.281 505 T C 0.417 174.768 174.700 -0.582 0.000 0.982 505 T CA -0.570 61.061 62.100 -0.783 0.000 0.978 505 T CB 0.541 68.798 68.868 -1.017 0.000 0.930 505 T HN 0.127 nan 8.240 nan 0.000 0.447 506 H N 2.459 121.338 119.070 -0.318 0.000 2.517 506 H HA 0.204 4.764 4.556 0.007 0.000 0.282 506 H C 0.837 176.226 175.328 0.103 0.000 1.023 506 H CA -0.794 55.240 56.048 -0.023 0.000 1.169 506 H CB -0.187 29.615 29.762 0.067 0.000 1.454 506 H HN 0.580 nan 8.280 nan 0.000 0.556 507 F N 1.038 121.063 119.950 0.126 0.000 2.115 507 F HA -0.218 4.313 4.527 0.007 0.000 0.300 507 F C 2.362 178.196 175.800 0.056 0.000 1.092 507 F CA 0.590 58.630 58.000 0.066 0.000 1.245 507 F CB -1.156 37.852 39.000 0.013 0.000 0.995 507 F HN 0.152 nan 8.300 nan 0.000 0.481 508 I N 0.215 120.934 120.570 0.249 0.000 2.076 508 I HA -0.318 3.856 4.170 0.007 0.000 0.237 508 I C 2.802 178.987 176.117 0.114 0.000 1.059 508 I CA 1.874 63.263 61.300 0.149 0.000 1.317 508 I CB -0.736 37.331 38.000 0.112 0.000 1.037 508 I HN 0.215 nan 8.210 nan 0.000 0.398 509 Q N 1.343 121.211 119.800 0.115 0.000 2.167 509 Q HA -0.161 4.183 4.340 0.007 0.000 0.202 509 Q C 2.137 178.174 176.000 0.061 0.000 0.970 509 Q CA 1.606 57.445 55.803 0.060 0.000 0.855 509 Q CB -0.693 28.055 28.738 0.016 0.000 0.911 509 Q HN 0.540 nan 8.270 nan 0.000 0.438 510 L N 1.076 122.365 121.223 0.110 0.000 2.093 510 L HA -0.101 4.244 4.340 0.007 0.000 0.208 510 L C 2.603 179.516 176.870 0.072 0.000 1.085 510 L CA 1.143 56.040 54.840 0.095 0.000 0.755 510 L CB -0.440 41.708 42.059 0.149 0.000 0.904 510 L HN 0.179 nan 8.230 nan 0.000 0.435 511 S N -0.376 115.374 115.700 0.083 0.000 2.368 511 S HA -0.203 4.271 4.470 0.007 0.000 0.225 511 S C 2.069 176.687 174.600 0.030 0.000 1.030 511 S CA 1.207 59.435 58.200 0.047 0.000 0.999 511 S CB -0.264 62.963 63.200 0.045 0.000 0.844 511 S HN 0.327 nan 8.310 nan 0.000 0.459 512 R N 0.861 121.380 120.500 0.031 0.000 2.105 512 R HA -0.041 4.303 4.340 0.007 0.000 0.239 512 R C 2.011 178.316 176.300 0.008 0.000 1.135 512 R CA 1.078 57.187 56.100 0.015 0.000 0.967 512 R CB -0.372 29.934 30.300 0.010 0.000 0.861 512 R HN 0.373 nan 8.270 nan 0.000 0.442 513 L N -0.037 121.192 121.223 0.010 0.000 2.191 513 L HA -0.137 4.208 4.340 0.007 0.000 0.212 513 L C 2.234 179.108 176.870 0.005 0.000 1.103 513 L CA 1.001 55.843 54.840 0.004 0.000 0.769 513 L CB -0.171 41.891 42.059 0.005 0.000 0.908 513 L HN 0.122 nan 8.230 nan 0.000 0.438 514 R N -0.720 119.785 120.500 0.009 0.000 2.279 514 R HA 0.236 4.580 4.340 0.007 0.000 0.195 514 R C 2.091 178.393 176.300 0.004 0.000 0.905 514 R CA 0.806 56.910 56.100 0.007 0.000 1.044 514 R CB -0.335 29.970 30.300 0.008 0.000 1.056 514 R HN 0.159 nan 8.270 nan 0.000 0.535 515 A N 0.769 123.592 122.820 0.005 0.000 2.131 515 A HA -0.059 4.265 4.320 0.007 0.000 0.220 515 A C 2.066 179.650 177.584 0.001 0.000 1.158 515 A CA 1.673 53.712 52.037 0.002 0.000 0.665 515 A CB -0.786 18.216 19.000 0.003 0.000 0.795 515 A HN 0.344 nan 8.150 nan 0.000 0.460 516 G N -0.984 107.817 108.800 0.001 0.000 2.598 516 G HA2 0.177 4.141 3.960 0.007 0.000 0.215 516 G HA3 0.177 4.141 3.960 0.007 0.000 0.215 516 G C 0.650 175.551 174.900 0.000 0.000 1.131 516 G CA 0.740 45.840 45.100 -0.000 0.000 0.785 516 G HN 0.438 nan 8.290 nan 0.000 0.539 517 S N -0.131 115.569 115.700 0.001 0.000 2.578 517 S HA 0.376 4.851 4.470 0.007 0.000 0.283 517 S C 0.853 175.453 174.600 0.001 0.000 1.195 517 S CA -0.803 57.398 58.200 0.001 0.000 1.050 517 S CB 1.985 65.186 63.200 0.002 0.000 1.012 517 S HN 0.046 nan 8.310 nan 0.000 0.511 518 K N 1.502 121.903 120.400 0.002 0.000 2.103 518 K HA 0.078 4.402 4.320 0.007 0.000 0.204 518 K C -0.146 176.456 176.600 0.003 0.000 1.052 518 K CA 0.885 57.173 56.287 0.002 0.000 0.945 518 K CB -0.190 32.311 32.500 0.002 0.000 0.722 518 K HN 0.443 nan 8.250 nan 0.000 0.443 519 N N 1.748 120.450 118.700 0.003 0.000 2.469 519 N HA 0.199 4.944 4.740 0.007 0.000 0.253 519 N C -0.265 175.247 175.510 0.004 0.000 0.970 519 N CA -0.173 52.880 53.050 0.004 0.000 0.940 519 N CB 1.276 39.766 38.487 0.004 0.000 1.128 519 N HN -0.006 nan 8.380 nan 0.000 0.503 520 L N 1.524 122.749 121.223 0.004 0.000 2.456 520 L HA 0.260 4.604 4.340 0.007 0.000 0.272 520 L C 0.204 177.077 176.870 0.005 0.000 1.189 520 L CA -0.193 54.649 54.840 0.003 0.000 0.846 520 L CB 0.493 42.553 42.059 0.002 0.000 1.111 520 L HN 0.059 nan 8.230 nan 0.000 0.475 521 V N 1.887 121.804 119.914 0.005 0.000 2.588 521 V HA 0.255 4.380 4.120 0.007 0.000 0.304 521 V C 0.131 176.230 176.094 0.008 0.000 1.042 521 V CA -0.625 61.679 62.300 0.007 0.000 0.877 521 V CB 2.038 33.865 31.823 0.007 0.000 0.996 521 V HN 0.845 nan 8.190 nan 0.000 0.425 522 S N 3.438 119.144 115.700 0.010 0.000 2.569 522 S HA 0.436 4.910 4.470 0.007 0.000 0.274 522 S C -0.223 174.386 174.600 0.015 0.000 1.353 522 S CA 0.112 58.319 58.200 0.012 0.000 1.023 522 S CB 0.672 63.881 63.200 0.015 0.000 0.876 522 S HN 0.524 nan 8.310 nan 0.000 0.540 523 L N 0.000 121.234 121.223 0.018 0.000 2.949 523 L HA 0.000 4.344 4.340 0.007 0.000 0.249 523 L CA 0.000 54.853 54.840 0.021 0.000 0.813 523 L CB 0.000 42.074 42.059 0.025 0.000 0.961 523 L HN 0.000 nan 8.230 nan 0.000 0.502