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 1mok_1_D 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 0.000 176.663 176.600 0.106 0.000 0.988 2 K CA 0.000 56.331 56.287 0.073 0.000 0.838 2 K CB 0.000 32.529 32.500 0.049 0.000 1.064 3 V N 2.472 122.449 119.914 0.105 0.000 2.407 3 V HA 0.374 4.494 4.120 -0.000 0.000 0.291 3 V C -1.420 174.801 176.094 0.211 0.000 1.018 3 V CA -0.553 61.822 62.300 0.125 0.000 0.842 3 V CB 1.124 32.953 31.823 0.011 0.000 0.996 3 V HN 0.362 nan 8.190 nan 0.000 0.426 4 W N 5.894 127.238 121.300 0.074 0.000 2.314 4 W HA 0.389 5.049 4.660 -0.000 0.000 0.310 4 W C 0.237 176.847 176.519 0.153 0.000 1.075 4 W CA -1.356 56.040 57.345 0.086 0.000 1.253 4 W CB 0.749 30.257 29.460 0.080 0.000 1.238 4 W HN 0.661 nan 8.180 nan 0.000 0.440 5 N N 4.769 123.511 118.700 0.070 0.000 2.605 5 N HA 0.260 5.000 4.740 -0.000 0.000 0.258 5 N C 0.962 176.221 175.510 -0.420 0.000 1.156 5 N CA 0.280 53.312 53.050 -0.030 0.000 1.008 5 N CB 0.622 39.170 38.487 0.101 0.000 1.354 5 N HN 0.598 nan 8.380 nan 0.000 0.509 6 A N 3.484 125.742 122.820 -0.937 0.000 2.167 6 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 6 A C 2.221 179.529 177.584 -0.460 0.000 1.151 6 A CA 0.151 51.536 52.037 -1.088 0.000 0.735 6 A CB -0.121 17.933 19.000 -1.576 0.000 0.802 6 A HN 0.614 nan 8.150 nan 0.000 0.467 7 R N 0.997 121.299 120.500 -0.330 0.000 2.224 7 R HA -0.207 4.133 4.340 -0.000 0.000 0.251 7 R C -0.477 175.684 176.300 -0.231 0.000 1.123 7 R CA 2.090 58.049 56.100 -0.235 0.000 0.944 7 R CB -0.833 29.389 30.300 -0.129 0.000 0.910 7 R HN 0.611 nan 8.270 nan 0.000 0.440 8 N N 0.686 119.267 118.700 -0.197 0.000 3.112 8 N HA 0.124 4.864 4.740 -0.000 0.000 0.270 8 N C -0.727 174.576 175.510 -0.345 0.000 1.385 8 N CA -0.116 52.781 53.050 -0.255 0.000 0.986 8 N CB 1.210 39.699 38.487 0.003 0.000 1.261 8 N HN 0.074 nan 8.380 nan 0.000 0.495 9 D N -0.815 119.214 120.400 -0.619 0.000 2.318 9 D HA 0.022 4.662 4.640 -0.000 0.000 0.294 9 D C -0.521 175.660 176.300 -0.198 0.000 1.091 9 D CA 0.195 54.054 54.000 -0.236 0.000 0.883 9 D CB 0.198 41.036 40.800 0.063 0.000 1.545 9 D HN 0.333 nan 8.370 nan 0.000 0.513 10 H N 1.198 120.351 119.070 0.137 0.000 2.514 10 H HA -0.167 4.389 4.556 -0.000 0.000 0.318 10 H C 0.218 175.674 175.328 0.214 0.000 0.994 10 H CA 0.390 56.553 56.048 0.191 0.000 1.056 10 H CB -2.142 27.706 29.762 0.143 0.000 1.621 10 H HN 0.255 nan 8.280 nan 0.000 0.360 11 L N 1.119 122.482 121.223 0.234 0.000 2.466 11 L HA 0.215 4.555 4.340 -0.000 0.000 0.257 11 L C 1.321 178.378 176.870 0.313 0.000 1.189 11 L CA -0.149 54.719 54.840 0.047 0.000 0.813 11 L CB 0.683 42.392 42.059 -0.583 0.000 1.118 11 L HN 0.257 nan 8.230 nan 0.000 0.471 12 T N 0.939 115.587 114.554 0.156 0.000 2.909 12 T HA 0.254 4.604 4.350 -0.000 0.000 0.289 12 T C 1.688 176.498 174.700 0.184 0.000 1.005 12 T CA -0.457 61.714 62.100 0.118 0.000 1.084 12 T CB 1.223 70.103 68.868 0.020 0.000 0.975 12 T HN 0.390 nan 8.240 nan 0.000 0.509 13 I N 2.169 122.707 120.570 -0.054 0.000 2.181 13 I HA -0.349 3.821 4.170 -0.000 0.000 0.247 13 I C 2.154 178.362 176.117 0.151 0.000 1.081 13 I CA 1.780 63.112 61.300 0.053 0.000 1.340 13 I CB -0.459 37.430 38.000 -0.185 0.000 1.036 13 I HN 0.712 nan 8.210 nan 0.000 0.417 14 N N 0.230 118.961 118.700 0.053 0.000 2.080 14 N HA -0.210 4.530 4.740 -0.000 0.000 0.189 14 N C 1.838 177.397 175.510 0.082 0.000 1.036 14 N CA 1.011 54.092 53.050 0.051 0.000 0.846 14 N CB -0.201 38.289 38.487 0.006 0.000 1.015 14 N HN 0.400 nan 8.380 nan 0.000 0.423 15 Q N -0.104 119.729 119.800 0.055 0.000 2.112 15 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 15 Q C 1.673 177.688 176.000 0.025 0.000 0.987 15 Q CA 1.458 57.257 55.803 -0.007 0.000 0.858 15 Q CB -0.229 28.463 28.738 -0.077 0.000 0.905 15 Q HN 0.537 nan 8.270 nan 0.000 0.420 16 W N 0.326 121.702 121.300 0.126 0.000 2.355 16 W HA -0.208 4.452 4.660 -0.000 0.000 0.309 16 W C 2.566 179.159 176.519 0.123 0.000 1.206 16 W CA 1.073 58.520 57.345 0.169 0.000 1.284 16 W CB -0.203 29.379 29.460 0.204 0.000 1.145 16 W HN 0.180 nan 8.180 nan 0.000 0.502 17 A N -0.005 123.010 122.820 0.325 0.000 1.902 17 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 17 A C 1.918 179.584 177.584 0.136 0.000 1.181 17 A CA 2.716 54.867 52.037 0.191 0.000 0.623 17 A CB -1.597 17.464 19.000 0.103 0.000 0.818 17 A HN 0.355 nan 8.150 nan 0.000 0.443 18 T N -2.337 112.274 114.554 0.095 0.000 2.777 18 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 18 T C 2.002 176.736 174.700 0.057 0.000 1.040 18 T CA 1.525 63.656 62.100 0.052 0.000 1.141 18 T CB -0.282 68.595 68.868 0.015 0.000 0.868 18 T HN 0.334 nan 8.240 nan 0.000 0.444 19 R N 1.434 121.969 120.500 0.059 0.000 2.073 19 R HA 0.150 4.490 4.340 -0.000 0.000 0.234 19 R C 2.384 178.773 176.300 0.147 0.000 1.134 19 R CA 1.484 57.607 56.100 0.038 0.000 0.952 19 R CB -1.204 29.071 30.300 -0.041 0.000 0.850 19 R HN 0.595 nan 8.270 nan 0.000 0.433 20 I N 0.484 121.208 120.570 0.256 0.000 2.163 20 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 20 I C 2.007 178.246 176.117 0.203 0.000 1.085 20 I CA 1.961 63.432 61.300 0.286 0.000 1.347 20 I CB -0.515 37.672 38.000 0.312 0.000 1.044 20 I HN 0.335 nan 8.210 nan 0.000 0.408 21 D N 0.917 121.407 120.400 0.151 0.000 2.087 21 D HA -0.239 4.401 4.640 -0.000 0.000 0.192 21 D C 2.022 178.389 176.300 0.110 0.000 0.993 21 D CA 1.793 55.863 54.000 0.117 0.000 0.828 21 D CB -0.010 40.835 40.800 0.076 0.000 0.968 21 D HN 0.301 nan 8.370 nan 0.000 0.448 22 E N -0.188 120.062 120.200 0.083 0.000 2.065 22 E HA -0.214 4.136 4.350 -0.000 0.000 0.201 22 E C 2.439 179.089 176.600 0.084 0.000 1.016 22 E CA 1.305 57.742 56.400 0.062 0.000 0.818 22 E CB -0.223 29.490 29.700 0.021 0.000 0.749 22 E HN 0.443 nan 8.360 nan 0.000 0.453 23 I N 0.460 121.095 120.570 0.108 0.000 2.163 23 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 23 I C 2.389 178.600 176.117 0.156 0.000 1.085 23 I CA 0.715 62.096 61.300 0.134 0.000 1.347 23 I CB -0.202 37.909 38.000 0.184 0.000 1.044 23 I HN 0.141 nan 8.210 nan 0.000 0.408 24 L N 0.396 121.732 121.223 0.188 0.000 2.187 24 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 24 L C 2.004 178.987 176.870 0.188 0.000 1.100 24 L CA 1.874 56.848 54.840 0.224 0.000 0.765 24 L CB -0.542 41.669 42.059 0.253 0.000 0.904 24 L HN 0.167 nan 8.230 nan 0.000 0.437 25 E N -1.337 118.949 120.200 0.143 0.000 2.498 25 E HA 0.331 4.681 4.350 -0.000 0.000 0.203 25 E C 0.481 177.138 176.600 0.095 0.000 1.013 25 E CA 0.270 56.742 56.400 0.118 0.000 0.927 25 E CB 0.254 30.014 29.700 0.099 0.000 1.012 25 E HN 0.336 nan 8.360 nan 0.000 0.482 26 A N 1.898 124.772 122.820 0.090 0.000 2.520 26 A HA 0.147 4.467 4.320 -0.000 0.000 0.245 26 A C -1.245 176.383 177.584 0.072 0.000 1.072 26 A CA -0.833 51.246 52.037 0.070 0.000 0.761 26 A CB 0.039 19.078 19.000 0.065 0.000 1.004 26 A HN 0.074 nan 8.150 nan 0.000 0.499 27 P HA -0.181 nan 4.420 nan 0.000 0.218 27 P C 0.467 177.799 177.300 0.053 0.000 1.148 27 P CA 1.602 64.735 63.100 0.056 0.000 0.822 27 P CB 0.043 31.770 31.700 0.045 0.000 0.784 28 D N -1.822 118.608 120.400 0.049 0.000 2.328 28 D HA 0.089 4.729 4.640 -0.000 0.000 0.221 28 D C 1.311 177.644 176.300 0.054 0.000 1.072 28 D CA 0.566 54.593 54.000 0.046 0.000 0.850 28 D CB -0.375 40.449 40.800 0.039 0.000 0.922 28 D HN 0.287 nan 8.370 nan 0.000 0.516 29 G N 0.162 109.002 108.800 0.067 0.000 2.176 29 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.232 29 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.232 29 G C 0.856 175.810 174.900 0.090 0.000 0.986 29 G CA 0.233 45.380 45.100 0.077 0.000 0.643 29 G HN 1.131 nan 8.290 nan 0.000 0.522 30 G N -0.036 108.813 108.800 0.082 0.000 2.806 30 G HA2 0.167 4.127 3.960 -0.000 0.000 0.236 30 G HA3 0.167 4.127 3.960 -0.000 0.000 0.236 30 G C 0.141 175.101 174.900 0.100 0.000 1.387 30 G CA 0.967 46.119 45.100 0.086 0.000 0.884 30 G HN 1.978 nan 8.290 nan 0.000 0.560 31 E N -1.494 118.776 120.200 0.116 0.000 2.342 31 E HA 0.530 4.880 4.350 -0.000 0.000 0.257 31 E C -0.140 176.597 176.600 0.229 0.000 1.150 31 E CA -0.864 55.632 56.400 0.160 0.000 0.926 31 E CB 1.231 31.028 29.700 0.161 0.000 1.074 31 E HN 0.534 nan 8.360 nan 0.000 0.449 32 V N 2.361 122.423 119.914 0.247 0.000 2.432 32 V HA 0.173 4.293 4.120 -0.000 0.000 0.275 32 V C 0.316 176.622 176.094 0.353 0.000 1.043 32 V CA -0.513 61.941 62.300 0.258 0.000 0.925 32 V CB 0.726 32.668 31.823 0.199 0.000 0.985 32 V HN 0.554 nan 8.190 nan 0.000 0.466 33 I N 5.730 126.509 120.570 0.349 0.000 2.347 33 I HA 0.159 4.329 4.170 -0.000 0.000 0.294 33 I C -0.623 175.609 176.117 0.191 0.000 1.090 33 I CA -0.035 61.447 61.300 0.305 0.000 1.314 33 I CB 0.019 38.264 38.000 0.409 0.000 1.423 33 I HN 0.602 nan 8.210 nan 0.000 0.503 34 Y N 7.598 127.839 120.300 -0.099 0.000 2.369 34 Y HA 0.347 4.896 4.550 -0.000 0.000 0.337 34 Y C -0.236 175.524 175.900 -0.232 0.000 0.961 34 Y CA -0.852 57.189 58.100 -0.098 0.000 1.186 34 Y CB 0.840 39.277 38.460 -0.039 0.000 1.139 34 Y HN 0.566 nan 8.280 nan 0.000 0.494 35 N N 5.673 124.019 118.700 -0.590 0.000 2.762 35 N HA 0.395 5.135 4.740 -0.000 0.000 0.252 35 N C -2.176 172.937 175.510 -0.661 0.000 1.269 35 N CA -0.461 52.197 53.050 -0.654 0.000 0.799 35 N CB 0.765 38.759 38.487 -0.823 0.000 1.173 35 N HN 0.359 nan 8.380 nan 0.000 0.516 36 V N -0.292 119.242 119.914 -0.633 0.000 2.735 36 V HA 0.572 4.692 4.120 -0.000 0.000 0.310 36 V C -0.229 175.759 176.094 -0.177 0.000 1.061 36 V CA -0.998 61.085 62.300 -0.362 0.000 0.913 36 V CB 1.884 33.537 31.823 -0.284 0.000 1.005 36 V HN 0.420 nan 8.190 nan 0.000 0.428 37 D N 3.349 123.695 120.400 -0.090 0.000 2.367 37 D HA 0.088 4.728 4.640 -0.000 0.000 0.255 37 D C 0.553 176.843 176.300 -0.016 0.000 1.300 37 D CA 0.163 54.131 54.000 -0.054 0.000 0.959 37 D CB 0.797 41.567 40.800 -0.049 0.000 1.064 37 D HN 0.794 nan 8.370 nan 0.000 0.509 38 E N 2.800 123.003 120.200 0.005 0.000 2.303 38 E HA 0.064 4.414 4.350 -0.000 0.000 0.211 38 E C 0.302 176.911 176.600 0.015 0.000 1.223 38 E CA -0.016 56.405 56.400 0.035 0.000 1.344 38 E CB 0.158 29.903 29.700 0.074 0.000 1.299 38 E HN 0.545 nan 8.360 nan 0.000 0.441 39 N N 0.021 118.717 118.700 -0.006 0.000 2.272 39 N HA -0.048 4.692 4.740 -0.000 0.000 0.228 39 N C 0.053 175.547 175.510 -0.026 0.000 1.206 39 N CA -0.298 52.746 53.050 -0.010 0.000 0.855 39 N CB 0.734 39.216 38.487 -0.008 0.000 1.248 39 N HN 0.023 nan 8.380 nan 0.000 0.476 40 D N 2.622 122.997 120.400 -0.041 0.000 2.450 40 D HA 0.016 4.656 4.640 -0.000 0.000 0.247 40 D C -1.305 174.950 176.300 -0.075 0.000 1.162 40 D CA -1.132 52.830 54.000 -0.063 0.000 0.879 40 D CB 1.427 42.173 40.800 -0.089 0.000 1.163 40 D HN 0.188 nan 8.370 nan 0.000 0.472 41 P HA -0.016 nan 4.420 nan 0.000 0.220 41 P C 0.374 177.627 177.300 -0.079 0.000 1.154 41 P CA 0.142 63.207 63.100 -0.059 0.000 0.837 41 P CB 0.218 31.895 31.700 -0.039 0.000 0.815 42 R N 1.401 121.851 120.500 -0.084 0.000 2.756 42 R HA 0.110 4.450 4.340 -0.000 0.000 0.264 42 R C 0.295 176.506 176.300 -0.147 0.000 1.026 42 R CA -0.119 55.929 56.100 -0.087 0.000 1.121 42 R CB 0.398 30.659 30.300 -0.065 0.000 0.999 42 R HN 0.134 nan 8.270 nan 0.000 0.449 43 E N 1.663 121.802 120.200 -0.102 0.000 2.345 43 E HA 0.049 4.399 4.350 -0.000 0.000 0.259 43 E C -0.914 175.631 176.600 -0.092 0.000 1.117 43 E CA -0.769 55.566 56.400 -0.108 0.000 0.913 43 E CB 0.542 30.236 29.700 -0.009 0.000 1.057 43 E HN 0.488 nan 8.360 nan 0.000 0.432 44 Y N 2.033 122.378 120.300 0.075 0.000 2.544 44 Y HA -0.042 4.508 4.550 -0.000 0.000 0.330 44 Y C 1.157 177.102 175.900 0.076 0.000 1.136 44 Y CA 0.216 58.362 58.100 0.077 0.000 1.417 44 Y CB 0.619 39.133 38.460 0.089 0.000 1.229 44 Y HN 0.561 nan 8.280 nan 0.000 0.532 45 D N 2.264 122.807 120.400 0.237 0.000 2.317 45 D HA 0.161 4.801 4.640 -0.000 0.000 0.211 45 D C 0.109 176.489 176.300 0.133 0.000 0.966 45 D CA 0.895 54.989 54.000 0.156 0.000 0.876 45 D CB 0.386 41.263 40.800 0.129 0.000 0.927 45 D HN 0.541 nan 8.370 nan 0.000 0.519 46 A N 0.248 123.161 122.820 0.154 0.000 2.585 46 A HA 0.465 4.785 4.320 -0.000 0.000 0.299 46 A C -1.501 176.078 177.584 -0.008 0.000 1.047 46 A CA -0.647 51.392 52.037 0.003 0.000 0.723 46 A CB 0.629 19.519 19.000 -0.184 0.000 1.275 46 A HN 0.013 nan 8.150 nan 0.000 0.408 47 I N 1.704 122.202 120.570 -0.120 0.000 2.378 47 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 47 I C -1.107 174.911 176.117 -0.164 0.000 0.992 47 I CA -0.463 60.765 61.300 -0.119 0.000 1.154 47 I CB 1.446 39.358 38.000 -0.146 0.000 1.315 47 I HN 0.557 nan 8.210 nan 0.000 0.448 48 F N 6.462 126.348 119.950 -0.106 0.000 2.390 48 F HA 0.303 4.830 4.527 -0.000 0.000 0.361 48 F C 0.388 176.149 175.800 -0.065 0.000 1.124 48 F CA -0.624 57.341 58.000 -0.059 0.000 1.149 48 F CB 0.501 39.474 39.000 -0.046 0.000 1.160 48 F HN 0.166 nan 8.300 nan 0.000 0.501 49 I N 3.956 124.553 120.570 0.046 0.000 2.329 49 I HA 0.360 4.530 4.170 -0.000 0.000 0.295 49 I C 0.682 176.829 176.117 0.050 0.000 1.109 49 I CA -0.287 61.026 61.300 0.022 0.000 1.297 49 I CB -0.561 37.436 38.000 -0.005 0.000 1.433 49 I HN 0.697 nan 8.210 nan 0.000 0.509 50 G N 4.298 113.122 108.800 0.040 0.000 3.225 50 G HA2 0.047 4.007 3.960 -0.000 0.000 0.686 50 G HA3 0.047 4.007 3.960 -0.000 0.000 0.686 50 G C 0.026 174.964 174.900 0.063 0.000 1.105 50 G CA -0.541 44.581 45.100 0.037 0.000 0.831 50 G HN 0.996 nan 8.290 nan 0.000 0.578 51 G N 0.921 109.729 108.800 0.013 0.000 4.804 51 G HA2 0.715 4.675 3.960 -0.000 0.000 0.310 51 G HA3 0.715 4.675 3.960 -0.000 0.000 0.310 51 G C 0.773 175.672 174.900 -0.003 0.000 1.389 51 G CA 0.843 45.929 45.100 -0.024 0.000 1.106 51 G HN 1.303 nan 8.290 nan 0.000 0.595 52 G N 0.153 108.991 108.800 0.063 0.000 2.773 52 G HA2 0.512 4.472 3.960 -0.000 0.000 0.186 52 G HA3 0.512 4.472 3.960 -0.000 0.000 0.186 52 G C 1.497 176.451 174.900 0.091 0.000 1.411 52 G CA 0.447 45.607 45.100 0.100 0.000 1.054 52 G HN 0.471 nan 8.290 nan 0.000 0.579 53 A N -0.271 122.608 122.820 0.098 0.000 1.859 53 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 53 A C 2.771 180.404 177.584 0.082 0.000 1.209 53 A CA 3.582 55.667 52.037 0.080 0.000 0.639 53 A CB -1.279 17.742 19.000 0.035 0.000 0.835 53 A HN 1.390 nan 8.150 nan 0.000 0.450 54 A N -1.060 121.797 122.820 0.061 0.000 1.877 54 A HA 0.156 4.476 4.320 -0.000 0.000 0.216 54 A C 2.489 180.163 177.584 0.150 0.000 1.186 54 A CA 2.105 54.190 52.037 0.080 0.000 0.620 54 A CB -1.508 17.537 19.000 0.075 0.000 0.822 54 A HN 0.869 nan 8.150 nan 0.000 0.443 55 G N -0.690 108.196 108.800 0.144 0.000 2.433 55 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 55 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 55 G C 1.797 176.621 174.900 -0.126 0.000 1.186 55 G CA 0.976 46.154 45.100 0.129 0.000 0.779 55 G HN 0.395 nan 8.290 nan 0.000 0.543 56 R N -0.113 120.350 120.500 -0.061 0.000 2.080 56 R HA -0.074 4.266 4.340 -0.000 0.000 0.236 56 R C 2.323 178.558 176.300 -0.109 0.000 1.137 56 R CA 1.447 57.479 56.100 -0.114 0.000 0.943 56 R CB -1.031 29.242 30.300 -0.045 0.000 0.846 56 R HN 0.357 nan 8.270 nan 0.000 0.431 57 F N 0.506 120.384 119.950 -0.119 0.000 2.069 57 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 57 F C 2.364 178.109 175.800 -0.091 0.000 1.113 57 F CA 2.086 60.039 58.000 -0.078 0.000 1.214 57 F CB -0.853 38.114 39.000 -0.054 0.000 0.978 57 F HN 0.213 nan 8.300 nan 0.000 0.474 58 G N -0.919 107.955 108.800 0.123 0.000 2.491 58 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 58 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 58 G C 1.850 176.579 174.900 -0.286 0.000 1.180 58 G CA 1.212 46.354 45.100 0.070 0.000 0.774 58 G HN 0.413 nan 8.290 nan 0.000 0.562 59 S N 1.217 116.351 115.700 -0.943 0.000 2.359 59 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 59 S C 2.827 177.253 174.600 -0.288 0.000 1.039 59 S CA 1.521 59.248 58.200 -0.788 0.000 1.042 59 S CB -0.651 62.110 63.200 -0.732 0.000 0.915 59 S HN 0.672 nan 8.310 nan 0.000 0.439 60 A N 0.570 123.236 122.820 -0.257 0.000 1.884 60 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 60 A C 2.002 179.503 177.584 -0.138 0.000 1.197 60 A CA 2.044 53.953 52.037 -0.214 0.000 0.637 60 A CB -1.151 17.656 19.000 -0.320 0.000 0.827 60 A HN 0.567 nan 8.150 nan 0.000 0.450 61 Y N -0.498 119.694 120.300 -0.179 0.000 2.163 61 Y HA -0.113 4.437 4.550 -0.000 0.000 0.288 61 Y C 2.231 178.120 175.900 -0.017 0.000 1.136 61 Y CA 1.818 59.874 58.100 -0.073 0.000 1.147 61 Y CB -0.275 38.201 38.460 0.026 0.000 0.987 61 Y HN 0.301 nan 8.280 nan 0.000 0.509 62 L N -0.191 121.160 121.223 0.212 0.000 1.989 62 L HA -0.265 4.075 4.340 -0.000 0.000 0.211 62 L C 2.653 179.562 176.870 0.065 0.000 1.071 62 L CA 1.878 56.824 54.840 0.177 0.000 0.749 62 L CB -0.369 41.834 42.059 0.239 0.000 0.890 62 L HN 0.095 nan 8.230 nan 0.000 0.431 63 R N 0.264 120.769 120.500 0.009 0.000 2.117 63 R HA -0.197 4.143 4.340 -0.000 0.000 0.243 63 R C 2.029 178.294 176.300 -0.058 0.000 1.143 63 R CA 1.802 57.887 56.100 -0.024 0.000 0.968 63 R CB -0.759 29.504 30.300 -0.061 0.000 0.863 63 R HN 0.531 nan 8.270 nan 0.000 0.444 64 A N -0.348 122.406 122.820 -0.110 0.000 2.015 64 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 64 A C 1.932 179.439 177.584 -0.128 0.000 1.163 64 A CA 1.438 53.378 52.037 -0.161 0.000 0.646 64 A CB -0.334 18.488 19.000 -0.297 0.000 0.806 64 A HN 0.404 nan 8.150 nan 0.000 0.448 65 M N -1.283 118.270 119.600 -0.079 0.000 2.561 65 M HA 0.179 4.659 4.480 -0.000 0.000 0.238 65 M C 1.384 177.683 176.300 -0.002 0.000 1.131 65 M CA 0.776 56.061 55.300 -0.025 0.000 1.046 65 M CB 0.287 32.915 32.600 0.047 0.000 1.532 65 M HN 0.603 nan 8.290 nan 0.000 0.497 66 G N -0.074 108.721 108.800 -0.010 0.000 2.213 66 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.236 66 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.236 66 G C 0.386 175.296 174.900 0.016 0.000 0.991 66 G CA -0.285 44.814 45.100 -0.001 0.000 0.629 66 G HN 0.609 nan 8.290 nan 0.000 0.517 67 G N -0.497 108.327 108.800 0.038 0.000 2.616 67 G HA2 0.546 4.506 3.960 -0.000 0.000 0.268 67 G HA3 0.546 4.506 3.960 -0.000 0.000 0.268 67 G C -0.014 174.930 174.900 0.074 0.000 1.213 67 G CA 0.136 45.274 45.100 0.063 0.000 0.926 67 G HN 0.585 nan 8.290 nan 0.000 0.523 68 R N -0.107 120.458 120.500 0.108 0.000 2.514 68 R HA 0.517 4.857 4.340 -0.000 0.000 0.301 68 R C -0.750 175.744 176.300 0.323 0.000 0.962 68 R CA -0.611 55.581 56.100 0.154 0.000 0.882 68 R CB 1.317 31.646 30.300 0.048 0.000 1.143 68 R HN 0.659 nan 8.270 nan 0.000 0.452 69 Q N 3.059 123.066 119.800 0.345 0.000 2.495 69 Q HA 0.575 4.915 4.340 -0.000 0.000 0.287 69 Q C -1.897 174.126 176.000 0.037 0.000 1.078 69 Q CA -0.991 54.984 55.803 0.286 0.000 0.793 69 Q CB 1.864 30.736 28.738 0.223 0.000 1.459 69 Q HN 0.455 nan 8.270 nan 0.000 0.422 70 L N 0.843 121.935 121.223 -0.219 0.000 2.464 70 L HA 0.695 5.035 4.340 -0.000 0.000 0.266 70 L C -1.829 174.942 176.870 -0.165 0.000 0.965 70 L CA -0.603 53.964 54.840 -0.454 0.000 0.833 70 L CB 1.969 43.336 42.059 -1.154 0.000 1.296 70 L HN 0.879 nan 8.230 nan 0.000 0.405 71 I N 4.945 125.443 120.570 -0.120 0.000 2.493 71 I HA 0.609 4.779 4.170 -0.000 0.000 0.298 71 I C -0.957 175.120 176.117 -0.066 0.000 0.998 71 I CA -1.005 60.276 61.300 -0.033 0.000 1.137 71 I CB 2.057 40.040 38.000 -0.029 0.000 1.310 71 I HN 0.274 nan 8.210 nan 0.000 0.445 72 V N 4.807 124.691 119.914 -0.050 0.000 2.482 72 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 72 V C -0.799 175.270 176.094 -0.043 0.000 1.026 72 V CA -0.578 61.689 62.300 -0.055 0.000 0.856 72 V CB 2.006 33.786 31.823 -0.072 0.000 1.001 72 V HN 0.696 nan 8.190 nan 0.000 0.424 73 D N 2.735 123.103 120.400 -0.053 0.000 2.819 73 D HA 0.402 5.042 4.640 -0.000 0.000 0.232 73 D C 0.646 176.891 176.300 -0.091 0.000 1.160 73 D CA -0.670 53.282 54.000 -0.080 0.000 0.858 73 D CB 2.809 43.543 40.800 -0.111 0.000 1.610 73 D HN 0.368 nan 8.370 nan 0.000 0.481 74 R N 1.496 121.906 120.500 -0.151 0.000 2.096 74 R HA -0.044 4.295 4.340 -0.000 0.000 0.235 74 R C 0.719 176.919 176.300 -0.168 0.000 1.127 74 R CA 0.807 56.794 56.100 -0.188 0.000 0.968 74 R CB 0.188 30.290 30.300 -0.329 0.000 0.861 74 R HN 0.433 nan 8.270 nan 0.000 0.440 75 W N 1.977 123.092 121.300 -0.307 0.000 2.251 75 W HA 0.132 4.792 4.660 -0.000 0.000 0.329 75 W C -1.581 174.630 176.519 -0.514 0.000 1.234 75 W CA -2.402 54.618 57.345 -0.543 0.000 1.228 75 W CB 0.348 29.123 29.460 -1.141 0.000 1.135 75 W HN -0.052 nan 8.180 nan 0.000 0.576 76 P HA -0.047 nan 4.420 nan 0.000 0.249 76 P C -0.569 176.728 177.300 -0.005 0.000 1.241 76 P CA 0.712 63.843 63.100 0.052 0.000 0.781 76 P CB -0.201 31.639 31.700 0.232 0.000 1.088 77 F N -2.002 117.847 119.950 -0.169 0.000 2.626 77 F HA 0.592 5.119 4.527 -0.000 0.000 0.311 77 F C -0.862 174.737 175.800 -0.335 0.000 1.088 77 F CA -2.051 55.745 58.000 -0.340 0.000 0.949 77 F CB 0.470 39.135 39.000 -0.559 0.000 1.322 77 F HN -0.397 nan 8.300 nan 0.000 0.461 78 L N 1.053 122.174 121.223 -0.170 0.000 2.416 78 L HA 0.754 5.094 4.340 -0.000 0.000 0.262 78 L C 0.954 177.878 176.870 0.090 0.000 1.093 78 L CA 0.008 54.753 54.840 -0.159 0.000 0.801 78 L CB 1.233 43.128 42.059 -0.274 0.000 1.191 78 L HN 1.169 nan 8.230 nan 0.000 0.459 79 G N -0.272 108.576 108.800 0.081 0.000 2.699 79 G HA2 0.163 4.123 3.960 -0.000 0.000 0.198 79 G HA3 0.163 4.123 3.960 -0.000 0.000 0.198 79 G C 0.468 175.476 174.900 0.179 0.000 1.033 79 G CA -0.160 45.035 45.100 0.159 0.000 0.728 79 G HN 1.440 nan 8.290 nan 0.000 0.484 80 G N -0.445 108.478 108.800 0.206 0.000 2.660 80 G HA2 0.200 4.160 3.960 -0.000 0.000 0.215 80 G HA3 0.200 4.160 3.960 -0.000 0.000 0.215 80 G C 1.297 176.349 174.900 0.254 0.000 1.345 80 G CA 1.586 46.843 45.100 0.261 0.000 0.877 80 G HN 1.960 nan 8.290 nan 0.000 0.549 81 S N -1.124 114.781 115.700 0.341 0.000 2.356 81 S HA -0.198 4.272 4.470 -0.000 0.000 0.223 81 S C 2.550 177.314 174.600 0.274 0.000 1.032 81 S CA 2.561 60.979 58.200 0.363 0.000 1.005 81 S CB -1.122 62.319 63.200 0.402 0.000 0.867 81 S HN 1.936 nan 8.310 nan 0.000 0.449 82 c N 3.574 122.294 118.600 0.201 0.000 2.353 82 c HA -0.068 4.502 4.570 -0.000 0.000 0.272 82 c C -0.286 173.893 174.090 0.149 0.000 1.165 82 c CA 1.838 58.256 56.329 0.149 0.000 1.786 82 c CB -1.383 41.190 42.510 0.105 0.000 2.071 82 c HN 0.622 nan 8.230 nan 0.000 0.451 83 P HA 0.064 nan 4.420 nan 0.000 0.262 83 P C 0.278 177.715 177.300 0.228 0.000 1.304 83 P CA 1.460 64.640 63.100 0.132 0.000 0.859 83 P CB -0.157 31.579 31.700 0.059 0.000 1.310 84 H N 0.923 120.107 119.070 0.191 0.000 3.266 84 H HA 0.129 4.685 4.556 -0.000 0.000 0.246 84 H C 0.884 176.477 175.328 0.441 0.000 0.998 84 H CA 0.911 57.075 56.048 0.192 0.000 1.152 84 H CB 0.547 30.243 29.762 -0.110 0.000 1.466 84 H HN 0.071 nan 8.280 nan 0.000 0.481 85 N N -1.326 117.625 118.700 0.417 0.000 1.926 85 N HA 0.222 4.962 4.740 -0.000 0.000 0.221 85 N C -0.040 175.753 175.510 0.473 0.000 1.410 85 N CA 0.443 53.763 53.050 0.450 0.000 0.711 85 N CB 0.120 38.913 38.487 0.511 0.000 1.126 85 N HN 0.194 nan 8.380 nan 0.000 0.546 86 A N 0.606 123.604 122.820 0.298 0.000 3.515 86 A HA 0.502 4.822 4.320 -0.000 0.000 0.195 86 A C 1.678 179.376 177.584 0.189 0.000 1.726 86 A CA 0.452 52.592 52.037 0.171 0.000 1.882 86 A CB -0.819 18.251 19.000 0.117 0.000 1.472 86 A HN 0.264 nan 8.150 nan 0.000 0.476 87 c N -0.553 118.170 118.600 0.205 0.000 2.284 87 c HA -0.175 4.395 4.570 -0.000 0.000 0.269 87 c C 2.476 176.639 174.090 0.121 0.000 1.133 87 c CA 1.284 57.798 56.329 0.308 0.000 1.794 87 c CB -1.961 40.625 42.510 0.128 0.000 1.976 87 c HN 0.473 nan 8.230 nan 0.000 0.424 88 V N 3.542 123.421 119.914 -0.059 0.000 2.220 88 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 88 V C 0.316 176.174 176.094 -0.393 0.000 1.053 88 V CA 3.149 65.342 62.300 -0.179 0.000 1.019 88 V CB -2.354 29.441 31.823 -0.047 0.000 0.646 88 V HN 0.460 nan 8.190 nan 0.000 0.455 89 P HA -0.255 nan 4.420 nan 0.000 0.218 89 P C 1.519 177.989 177.300 -1.383 0.000 1.146 89 P CA 2.539 64.735 63.100 -1.507 0.000 0.813 89 P CB -0.303 30.189 31.700 -2.014 0.000 0.778 90 H N -0.474 118.171 119.070 -0.709 0.000 2.389 90 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 90 H C 1.907 176.924 175.328 -0.518 0.000 1.081 90 H CA 1.796 57.509 56.048 -0.558 0.000 1.345 90 H CB -1.213 28.504 29.762 -0.074 0.000 1.393 90 H HN 0.128 nan 8.280 nan 0.000 0.520 91 H N -0.529 118.053 119.070 -0.814 0.000 2.326 91 H HA -0.030 4.526 4.556 -0.000 0.000 0.301 91 H C 2.189 177.154 175.328 -0.604 0.000 1.081 91 H CA 1.352 56.972 56.048 -0.713 0.000 1.334 91 H CB -0.425 29.058 29.762 -0.465 0.000 1.385 91 H HN 0.355 nan 8.280 nan 0.000 0.504 92 L N 0.046 120.933 121.223 -0.560 0.000 2.013 92 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 92 L C 1.742 178.268 176.870 -0.573 0.000 1.073 92 L CA 1.692 56.201 54.840 -0.552 0.000 0.753 92 L CB -0.805 40.846 42.059 -0.681 0.000 0.890 92 L HN 0.285 nan 8.230 nan 0.000 0.432 93 F N -1.635 117.874 119.950 -0.734 0.000 2.325 93 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 93 F C 2.408 177.772 175.800 -0.727 0.000 1.090 93 F CA 0.584 57.882 58.000 -1.169 0.000 1.392 93 F CB -0.408 37.684 39.000 -1.513 0.000 1.053 93 F HN 0.046 nan 8.300 nan 0.000 0.521 94 S N -0.128 115.305 115.700 -0.444 0.000 2.371 94 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 94 S C 1.440 175.860 174.600 -0.300 0.000 1.029 94 S CA 1.193 59.134 58.200 -0.432 0.000 0.978 94 S CB -0.292 62.349 63.200 -0.931 0.000 0.833 94 S HN 0.272 nan 8.310 nan 0.000 0.466 95 D N 1.018 121.239 120.400 -0.299 0.000 2.104 95 D HA -0.089 4.551 4.640 -0.000 0.000 0.194 95 D C 2.054 178.319 176.300 -0.057 0.000 0.994 95 D CA 0.929 54.839 54.000 -0.150 0.000 0.830 95 D CB -0.461 40.255 40.800 -0.140 0.000 0.959 95 D HN 0.341 nan 8.370 nan 0.000 0.452 96 C N 0.627 119.890 119.300 -0.062 0.000 2.429 96 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 96 C C 2.847 177.931 174.990 0.155 0.000 1.262 96 C CA 0.788 59.846 59.018 0.067 0.000 1.733 96 C CB -1.113 26.689 27.740 0.104 0.000 2.010 96 C HN 0.371 nan 8.230 nan 0.000 0.483 97 A N 0.521 123.437 122.820 0.160 0.000 1.902 97 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 97 A C 2.364 180.077 177.584 0.214 0.000 1.181 97 A CA 2.042 54.212 52.037 0.222 0.000 0.623 97 A CB -0.862 18.205 19.000 0.112 0.000 0.818 97 A HN 0.571 nan 8.150 nan 0.000 0.443 98 A N -0.416 122.491 122.820 0.145 0.000 1.898 98 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 98 A C 1.974 179.627 177.584 0.115 0.000 1.181 98 A CA 1.633 53.783 52.037 0.187 0.000 0.620 98 A CB -0.386 18.761 19.000 0.245 0.000 0.819 98 A HN 0.462 nan 8.150 nan 0.000 0.442 99 E N 0.211 120.459 120.200 0.079 0.000 2.028 99 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 99 E C 2.104 178.732 176.600 0.046 0.000 0.988 99 E CA 0.966 57.408 56.400 0.071 0.000 0.799 99 E CB -0.559 29.193 29.700 0.087 0.000 0.755 99 E HN 0.651 nan 8.360 nan 0.000 0.447 100 L N 0.639 121.898 121.223 0.059 0.000 2.079 100 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 100 L C 2.717 179.550 176.870 -0.063 0.000 1.081 100 L CA 1.030 55.879 54.840 0.015 0.000 0.752 100 L CB -0.365 41.724 42.059 0.050 0.000 0.896 100 L HN 0.180 nan 8.230 nan 0.000 0.433 101 M N -0.783 118.785 119.600 -0.052 0.000 2.374 101 M HA -0.196 4.284 4.480 -0.000 0.000 0.264 101 M C 2.045 178.282 176.300 -0.105 0.000 1.067 101 M CA 1.469 56.676 55.300 -0.156 0.000 1.103 101 M CB 0.204 32.679 32.600 -0.209 0.000 1.402 101 M HN 0.238 nan 8.290 nan 0.000 0.444 102 L N 0.657 121.833 121.223 -0.079 0.000 2.022 102 L HA 0.131 4.471 4.340 -0.000 0.000 0.204 102 L C 2.586 179.134 176.870 -0.536 0.000 1.076 102 L CA 2.054 56.756 54.840 -0.230 0.000 0.749 102 L CB -1.087 40.878 42.059 -0.157 0.000 0.903 102 L HN 0.279 nan 8.230 nan 0.000 0.439 103 A N -0.269 122.252 122.820 -0.497 0.000 1.927 103 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 103 A C 2.410 179.761 177.584 -0.387 0.000 1.185 103 A CA 2.297 54.009 52.037 -0.542 0.000 0.639 103 A CB -0.678 18.263 19.000 -0.098 0.000 0.820 103 A HN 0.530 nan 8.150 nan 0.000 0.451 104 R N -1.643 118.687 120.500 -0.283 0.000 2.153 104 R HA -0.020 4.320 4.340 -0.000 0.000 0.218 104 R C 1.953 178.072 176.300 -0.302 0.000 1.072 104 R CA 1.418 57.380 56.100 -0.232 0.000 0.990 104 R CB -0.402 29.786 30.300 -0.185 0.000 0.889 104 R HN 0.491 nan 8.270 nan 0.000 0.452 105 T N -0.082 114.205 114.554 -0.444 0.000 3.023 105 T HA 0.010 4.360 4.350 -0.000 0.000 0.266 105 T C 0.456 174.643 174.700 -0.855 0.000 1.093 105 T CA 0.962 62.683 62.100 -0.631 0.000 1.129 105 T CB 0.072 68.491 68.868 -0.747 0.000 0.899 105 T HN 0.111 nan 8.240 nan 0.000 0.491 106 F N 1.259 121.003 119.950 -0.343 0.000 2.881 106 F HA 0.388 4.915 4.527 -0.000 0.000 0.343 106 F C 0.824 176.483 175.800 -0.234 0.000 1.233 106 F CA -0.799 57.025 58.000 -0.294 0.000 1.262 106 F CB 0.456 39.264 39.000 -0.321 0.000 0.980 106 F HN -0.085 nan 8.300 nan 0.000 0.506 107 S N 0.560 116.194 115.700 -0.110 0.000 2.563 107 S HA 0.340 4.810 4.470 -0.000 0.000 0.294 107 S C 1.334 175.920 174.600 -0.022 0.000 1.279 107 S CA 1.245 59.412 58.200 -0.056 0.000 1.069 107 S CB 0.422 63.576 63.200 -0.077 0.000 0.828 107 S HN 0.947 nan 8.310 nan 0.000 0.497 108 G N 4.120 112.925 108.800 0.008 0.000 2.708 108 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.229 108 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.229 108 G C 0.135 175.002 174.900 -0.055 0.000 1.236 108 G CA 0.445 45.535 45.100 -0.016 0.000 0.749 108 G HN 0.799 nan 8.290 nan 0.000 0.515 109 Q N 0.394 120.126 119.800 -0.114 0.000 2.386 109 Q HA 0.449 4.789 4.340 -0.000 0.000 0.282 109 Q C 1.077 176.861 176.000 -0.361 0.000 1.050 109 Q CA 0.367 55.946 55.803 -0.375 0.000 0.918 109 Q CB 0.190 28.587 28.738 -0.569 0.000 1.266 109 Q HN 0.694 nan 8.270 nan 0.000 0.423 110 Y N -1.564 118.695 120.300 -0.069 0.000 2.845 110 Y HA -0.421 4.129 4.550 -0.000 0.000 0.468 110 Y C 0.974 176.799 175.900 -0.126 0.000 1.163 110 Y CA 1.249 59.269 58.100 -0.133 0.000 2.636 110 Y CB -1.289 36.940 38.460 -0.385 0.000 1.194 110 Y HN 0.919 nan 8.280 nan 0.000 0.626 111 W N -0.376 120.854 121.300 -0.117 0.000 3.388 111 W HA 0.543 5.203 4.660 -0.000 0.000 0.324 111 W C -0.773 175.602 176.519 -0.240 0.000 1.250 111 W CA -0.850 56.362 57.345 -0.221 0.000 1.809 111 W CB -0.437 28.835 29.460 -0.312 0.000 1.083 111 W HN 0.052 nan 8.180 nan 0.000 0.685 112 F N 5.220 124.946 119.950 -0.373 0.000 2.421 112 F HA 0.371 4.898 4.527 -0.000 0.000 0.358 112 F C -1.342 174.397 175.800 -0.103 0.000 1.115 112 F CA -3.351 54.485 58.000 -0.273 0.000 1.160 112 F CB 0.115 38.922 39.000 -0.321 0.000 1.123 112 F HN -0.245 nan 8.300 nan 0.000 0.508 113 P HA -0.035 nan 4.420 nan 0.000 0.270 113 P C -0.595 176.742 177.300 0.062 0.000 1.223 113 P CA -0.296 62.858 63.100 0.091 0.000 0.785 113 P CB 0.888 32.643 31.700 0.092 0.000 0.923 114 D N 1.410 121.828 120.400 0.030 0.000 2.383 114 D HA 0.041 4.681 4.640 -0.000 0.000 0.252 114 D C 1.015 177.315 176.300 -0.001 0.000 1.166 114 D CA 0.009 54.012 54.000 0.005 0.000 0.879 114 D CB 0.274 41.073 40.800 -0.002 0.000 1.164 114 D HN 0.056 nan 8.370 nan 0.000 0.462 115 M N 1.857 121.444 119.600 -0.021 0.000 2.510 115 M HA 0.046 4.526 4.480 -0.000 0.000 0.256 115 M C 0.448 176.728 176.300 -0.033 0.000 1.132 115 M CA 0.249 55.532 55.300 -0.028 0.000 1.105 115 M CB -1.006 31.562 32.600 -0.053 0.000 1.375 115 M HN 0.323 nan 8.290 nan 0.000 0.477 116 T N 2.498 117.032 114.554 -0.034 0.000 2.867 116 T HA -0.047 4.303 4.350 -0.000 0.000 0.290 116 T C 0.874 175.559 174.700 -0.025 0.000 1.025 116 T CA 0.582 62.663 62.100 -0.032 0.000 1.146 116 T CB 0.114 68.965 68.868 -0.027 0.000 1.024 116 T HN 0.469 nan 8.240 nan 0.000 0.519 117 E N -1.378 118.807 120.200 -0.026 0.000 3.760 117 E HA -0.238 4.111 4.350 -0.000 0.000 0.317 117 E C 0.297 176.884 176.600 -0.022 0.000 0.730 117 E CA 1.415 57.802 56.400 -0.022 0.000 1.106 117 E CB -0.571 29.119 29.700 -0.016 0.000 1.574 117 E HN 0.534 nan 8.360 nan 0.000 0.451 118 K N 1.641 122.027 120.400 -0.023 0.000 2.312 118 K HA 0.325 4.645 4.320 -0.000 0.000 0.287 118 K C -0.687 175.895 176.600 -0.030 0.000 1.062 118 K CA -0.281 55.994 56.287 -0.020 0.000 0.934 118 K CB 1.238 33.731 32.500 -0.012 0.000 1.027 118 K HN 0.119 nan 8.250 nan 0.000 0.478 119 V N 2.962 122.857 119.914 -0.033 0.000 2.495 119 V HA 0.613 4.733 4.120 -0.000 0.000 0.298 119 V C -0.482 175.583 176.094 -0.047 0.000 1.031 119 V CA -0.948 61.322 62.300 -0.050 0.000 0.871 119 V CB 1.616 33.403 31.823 -0.060 0.000 0.988 119 V HN 0.447 nan 8.190 nan 0.000 0.432 120 V N 4.286 124.167 119.914 -0.056 0.000 2.834 120 V HA 0.559 4.679 4.120 -0.000 0.000 0.301 120 V C 1.362 177.421 176.094 -0.059 0.000 1.066 120 V CA 0.474 62.753 62.300 -0.035 0.000 1.052 120 V CB 1.463 33.281 31.823 -0.010 0.000 1.021 120 V HN 1.202 nan 8.190 nan 0.000 0.480 121 G N 2.706 111.491 108.800 -0.026 0.000 2.372 121 G HA2 0.374 4.334 3.960 -0.000 0.000 0.286 121 G HA3 0.374 4.334 3.960 -0.000 0.000 0.286 121 G C 0.694 175.580 174.900 -0.024 0.000 1.153 121 G CA -0.282 44.794 45.100 -0.040 0.000 0.985 121 G HN 0.687 nan 8.290 nan 0.000 0.429 122 I N 1.974 122.483 120.570 -0.102 0.000 2.110 122 I HA -0.168 4.002 4.170 -0.000 0.000 0.236 122 I C 2.775 178.880 176.117 -0.019 0.000 1.068 122 I CA 1.338 62.602 61.300 -0.060 0.000 1.333 122 I CB -0.172 37.676 38.000 -0.252 0.000 1.054 122 I HN 0.586 nan 8.210 nan 0.000 0.402 123 K N 1.180 121.509 120.400 -0.119 0.000 2.071 123 K HA -0.348 3.972 4.320 -0.000 0.000 0.217 123 K C 2.093 178.709 176.600 0.027 0.000 1.054 123 K CA 2.474 58.722 56.287 -0.064 0.000 0.937 123 K CB -0.293 32.153 32.500 -0.090 0.000 0.719 123 K HN 0.294 nan 8.250 nan 0.000 0.454 124 E N -0.168 120.049 120.200 0.028 0.000 2.097 124 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 124 E C 1.924 178.582 176.600 0.097 0.000 1.000 124 E CA 1.518 57.952 56.400 0.057 0.000 0.804 124 E CB -0.036 29.691 29.700 0.044 0.000 0.740 124 E HN 0.327 nan 8.360 nan 0.000 0.454 125 V N 0.417 120.412 119.914 0.135 0.000 2.283 125 V HA -0.158 3.962 4.120 -0.000 0.000 0.243 125 V C 2.406 178.649 176.094 0.248 0.000 1.039 125 V CA 1.817 64.229 62.300 0.186 0.000 1.016 125 V CB 0.069 32.040 31.823 0.246 0.000 0.650 125 V HN 0.383 nan 8.190 nan 0.000 0.449 126 V N -0.017 120.063 119.914 0.277 0.000 2.688 126 V HA -0.200 3.920 4.120 -0.000 0.000 0.256 126 V C 2.072 178.342 176.094 0.293 0.000 1.084 126 V CA 2.716 65.237 62.300 0.369 0.000 1.103 126 V CB -0.944 31.048 31.823 0.282 0.000 0.688 126 V HN 0.653 nan 8.190 nan 0.000 0.480 127 D N 0.005 120.515 120.400 0.183 0.000 2.194 127 D HA -0.058 4.582 4.640 -0.000 0.000 0.204 127 D C 1.882 178.246 176.300 0.107 0.000 0.964 127 D CA 1.500 55.575 54.000 0.126 0.000 0.846 127 D CB -0.082 40.770 40.800 0.086 0.000 0.962 127 D HN 0.548 nan 8.370 nan 0.000 0.490 128 L N 0.030 121.328 121.223 0.125 0.000 2.083 128 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 128 L C 2.051 178.983 176.870 0.103 0.000 1.083 128 L CA 1.286 56.180 54.840 0.091 0.000 0.752 128 L CB -0.599 41.514 42.059 0.089 0.000 0.899 128 L HN -0.003 nan 8.230 nan 0.000 0.433 129 F N 0.488 120.436 119.950 -0.004 0.000 2.046 129 F HA -0.271 4.256 4.527 -0.000 0.000 0.297 129 F C 2.514 178.283 175.800 -0.053 0.000 1.123 129 F CA 1.748 59.715 58.000 -0.054 0.000 1.199 129 F CB -0.179 38.791 39.000 -0.050 0.000 0.972 129 F HN -0.030 nan 8.300 nan 0.000 0.474 130 R N 0.505 120.886 120.500 -0.199 0.000 2.159 130 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 130 R C 2.200 178.375 176.300 -0.207 0.000 1.131 130 R CA 1.069 56.995 56.100 -0.290 0.000 0.982 130 R CB -0.822 29.446 30.300 -0.053 0.000 0.868 130 R HN 0.417 nan 8.270 nan 0.000 0.453 131 A N 0.260 123.011 122.820 -0.115 0.000 2.168 131 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 131 A C 1.853 179.371 177.584 -0.110 0.000 1.152 131 A CA 1.334 53.325 52.037 -0.078 0.000 0.716 131 A CB -0.007 18.977 19.000 -0.027 0.000 0.794 131 A HN 0.458 nan 8.150 nan 0.000 0.465 132 G N -0.602 108.090 108.800 -0.180 0.000 2.989 132 G HA2 0.118 4.078 3.960 -0.000 0.000 0.221 132 G HA3 0.118 4.078 3.960 -0.000 0.000 0.221 132 G C 1.293 176.025 174.900 -0.280 0.000 1.050 132 G CA 0.423 45.417 45.100 -0.176 0.000 0.913 132 G HN 0.574 nan 8.290 nan 0.000 0.587 133 R N 0.694 120.905 120.500 -0.482 0.000 2.159 133 R HA 0.010 4.350 4.340 -0.000 0.000 0.237 133 R C 1.393 177.317 176.300 -0.627 0.000 1.131 133 R CA 1.419 57.134 56.100 -0.643 0.000 0.982 133 R CB -0.393 29.243 30.300 -1.107 0.000 0.868 133 R HN 0.063 nan 8.270 nan 0.000 0.453 134 N N 0.688 119.167 118.700 -0.368 0.000 2.550 134 N HA -0.029 4.711 4.740 -0.000 0.000 0.186 134 N C 1.561 176.980 175.510 -0.151 0.000 1.110 134 N CA 1.076 54.007 53.050 -0.199 0.000 0.912 134 N CB 0.054 38.526 38.487 -0.025 0.000 0.968 134 N HN 0.511 nan 8.380 nan 0.000 0.448 135 G N 2.006 110.695 108.800 -0.185 0.000 2.434 135 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 135 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 135 G C -0.709 174.123 174.900 -0.113 0.000 1.202 135 G CA 0.422 45.457 45.100 -0.108 0.000 0.788 135 G HN 0.290 nan 8.290 nan 0.000 0.539 136 P HA -0.108 nan 4.420 nan 0.000 0.218 136 P C 1.436 178.669 177.300 -0.111 0.000 1.148 136 P CA 1.126 64.128 63.100 -0.163 0.000 0.822 136 P CB -0.035 31.532 31.700 -0.222 0.000 0.784 137 H N -0.809 118.161 119.070 -0.167 0.000 2.270 137 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 137 H C 2.327 177.606 175.328 -0.082 0.000 1.077 137 H CA 1.897 57.833 56.048 -0.185 0.000 1.294 137 H CB -1.362 28.181 29.762 -0.365 0.000 1.371 137 H HN 0.090 nan 8.280 nan 0.000 0.491 138 G N 1.019 109.897 108.800 0.130 0.000 2.547 138 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.221 138 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.221 138 G C 1.902 176.861 174.900 0.099 0.000 1.140 138 G CA 1.335 46.546 45.100 0.184 0.000 0.760 138 G HN 0.370 nan 8.290 nan 0.000 0.583 139 I N -0.364 120.238 120.570 0.052 0.000 2.286 139 I HA -0.090 4.080 4.170 -0.000 0.000 0.245 139 I C 2.685 178.830 176.117 0.047 0.000 1.104 139 I CA 1.247 62.585 61.300 0.064 0.000 1.397 139 I CB -0.205 37.809 38.000 0.022 0.000 1.072 139 I HN 0.204 nan 8.210 nan 0.000 0.417 140 M N 1.131 120.724 119.600 -0.011 0.000 2.149 140 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 140 M C 1.738 177.939 176.300 -0.164 0.000 1.064 140 M CA 2.034 57.302 55.300 -0.054 0.000 1.102 140 M CB -0.644 31.945 32.600 -0.018 0.000 1.369 140 M HN 0.163 nan 8.290 nan 0.000 0.408 141 N N -1.213 117.309 118.700 -0.295 0.000 2.092 141 N HA -0.136 4.604 4.740 -0.000 0.000 0.189 141 N C 1.671 176.853 175.510 -0.547 0.000 1.040 141 N CA 1.422 54.095 53.050 -0.628 0.000 0.845 141 N CB -0.362 37.410 38.487 -1.191 0.000 1.017 141 N HN 0.382 nan 8.380 nan 0.000 0.426 142 F N 2.490 122.059 119.950 -0.635 0.000 2.091 142 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 142 F C 2.718 178.495 175.800 -0.039 0.000 1.103 142 F CA 1.631 59.527 58.000 -0.174 0.000 1.228 142 F CB -0.486 38.581 39.000 0.112 0.000 0.984 142 F HN 0.059 nan 8.300 nan 0.000 0.477 143 Q N -0.011 119.798 119.800 0.016 0.000 2.124 143 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 143 Q C 2.190 178.091 176.000 -0.165 0.000 0.977 143 Q CA 2.091 57.854 55.803 -0.067 0.000 0.850 143 Q CB -0.273 28.519 28.738 0.090 0.000 0.901 143 Q HN 0.503 nan 8.270 nan 0.000 0.429 144 S N 0.614 116.235 115.700 -0.133 0.000 2.368 144 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 144 S C 1.769 176.336 174.600 -0.055 0.000 1.029 144 S CA 1.393 59.541 58.200 -0.086 0.000 0.988 144 S CB -0.121 63.039 63.200 -0.067 0.000 0.838 144 S HN 0.390 nan 8.310 nan 0.000 0.462 145 K N 0.887 121.254 120.400 -0.055 0.000 2.044 145 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 145 K C 1.737 178.236 176.600 -0.167 0.000 1.049 145 K CA 1.030 57.251 56.287 -0.110 0.000 0.945 145 K CB 0.025 32.476 32.500 -0.081 0.000 0.724 145 K HN 0.098 nan 8.250 nan 0.000 0.440 146 E N 0.708 120.736 120.200 -0.287 0.000 2.086 146 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 146 E C 2.110 178.568 176.600 -0.237 0.000 0.975 146 E CA 1.134 57.347 56.400 -0.311 0.000 0.813 146 E CB 0.076 29.382 29.700 -0.657 0.000 0.768 146 E HN 0.471 nan 8.360 nan 0.000 0.457 147 Q N -0.042 119.609 119.800 -0.248 0.000 2.200 147 Q HA 0.156 4.496 4.340 -0.000 0.000 0.197 147 Q C 2.136 178.067 176.000 -0.114 0.000 0.953 147 Q CA 0.488 56.204 55.803 -0.145 0.000 0.851 147 Q CB 0.296 28.969 28.738 -0.108 0.000 0.938 147 Q HN 0.180 nan 8.270 nan 0.000 0.488 148 L N 0.942 122.092 121.223 -0.121 0.000 2.592 148 L HA 0.107 4.447 4.340 -0.000 0.000 0.227 148 L C -0.059 176.751 176.870 -0.099 0.000 1.127 148 L CA -0.165 54.609 54.840 -0.110 0.000 0.884 148 L CB -0.109 41.877 42.059 -0.121 0.000 1.065 148 L HN 0.256 nan 8.230 nan 0.000 0.457 149 N N 0.453 119.092 118.700 -0.102 0.000 2.681 149 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 149 N C 0.116 175.569 175.510 -0.095 0.000 1.133 149 N CA 0.789 53.782 53.050 -0.095 0.000 0.732 149 N CB -1.429 37.013 38.487 -0.075 0.000 1.107 149 N HN 0.359 nan 8.380 nan 0.000 0.559 150 L N 1.042 122.211 121.223 -0.090 0.000 2.485 150 L HA 0.066 4.406 4.340 -0.000 0.000 0.275 150 L C 0.983 177.777 176.870 -0.127 0.000 1.207 150 L CA 0.673 55.470 54.840 -0.071 0.000 0.855 150 L CB 0.297 42.337 42.059 -0.032 0.000 1.114 150 L HN 0.009 nan 8.230 nan 0.000 0.485 151 E N 2.270 122.402 120.200 -0.113 0.000 2.191 151 E HA 0.529 4.879 4.350 -0.000 0.000 0.278 151 E C -1.463 175.025 176.600 -0.186 0.000 0.972 151 E CA -0.486 55.778 56.400 -0.227 0.000 0.804 151 E CB 1.820 31.468 29.700 -0.086 0.000 1.110 151 E HN 0.418 nan 8.360 nan 0.000 0.394 152 Y N -0.605 119.559 120.300 -0.227 0.000 2.689 152 Y HA 0.636 5.186 4.550 -0.000 0.000 0.333 152 Y C -1.499 174.261 175.900 -0.234 0.000 1.208 152 Y CA -1.418 56.542 58.100 -0.233 0.000 1.055 152 Y CB 1.007 39.352 38.460 -0.191 0.000 1.304 152 Y HN 0.336 nan 8.280 nan 0.000 0.455 153 I N 3.214 123.862 120.570 0.130 0.000 2.497 153 I HA 0.409 4.579 4.170 -0.000 0.000 0.284 153 I C -1.148 175.041 176.117 0.120 0.000 1.060 153 I CA -0.502 60.861 61.300 0.106 0.000 1.071 153 I CB 1.585 39.601 38.000 0.026 0.000 1.216 153 I HN 0.493 nan 8.210 nan 0.000 0.442 154 L N 4.786 126.109 121.223 0.167 0.000 2.332 154 L HA 0.529 4.868 4.340 -0.000 0.000 0.269 154 L C 0.531 177.467 176.870 0.110 0.000 1.016 154 L CA -0.943 53.939 54.840 0.070 0.000 0.809 154 L CB 1.112 43.181 42.059 0.017 0.000 1.280 154 L HN 0.678 nan 8.230 nan 0.000 0.447 155 N N 0.502 119.236 118.700 0.057 0.000 2.727 155 N HA -0.200 4.540 4.740 -0.000 0.000 0.251 155 N C -1.111 174.443 175.510 0.074 0.000 1.040 155 N CA 0.551 53.649 53.050 0.080 0.000 0.712 155 N CB -0.698 37.882 38.487 0.154 0.000 0.912 155 N HN 0.770 nan 8.380 nan 0.000 0.545 156 C N 1.270 120.590 119.300 0.032 0.000 3.050 156 C HA 0.522 4.981 4.460 -0.000 0.000 0.416 156 C C -2.667 172.324 174.990 0.001 0.000 0.994 156 C CA -1.123 57.917 59.018 0.037 0.000 1.222 156 C CB 1.263 29.052 27.740 0.081 0.000 1.612 156 C HN 0.422 nan 8.230 nan 0.000 0.550 157 P HA 0.370 nan 4.420 nan 0.000 0.275 157 P C -0.469 176.831 177.300 -0.001 0.000 1.227 157 P CA 0.290 63.373 63.100 -0.029 0.000 0.781 157 P CB 1.014 32.693 31.700 -0.035 0.000 0.906 158 A N 3.824 126.638 122.820 -0.010 0.000 2.331 158 A HA 0.365 4.685 4.320 -0.000 0.000 0.283 158 A C 0.098 177.691 177.584 0.016 0.000 1.142 158 A CA -0.522 51.520 52.037 0.008 0.000 0.812 158 A CB 0.199 19.195 19.000 -0.007 0.000 1.074 158 A HN 0.441 nan 8.150 nan 0.000 0.497 159 K N 2.519 122.943 120.400 0.039 0.000 2.423 159 K HA 0.366 4.686 4.320 -0.000 0.000 0.234 159 K C -1.107 175.518 176.600 0.043 0.000 1.051 159 K CA -0.466 55.843 56.287 0.037 0.000 1.021 159 K CB 1.450 33.978 32.500 0.046 0.000 1.474 159 K HN 0.373 nan 8.250 nan 0.000 0.474 160 V N 5.122 125.051 119.914 0.025 0.000 2.400 160 V HA -0.072 4.048 4.120 -0.000 0.000 0.263 160 V C 1.680 177.789 176.094 0.026 0.000 1.026 160 V CA 0.144 62.459 62.300 0.025 0.000 1.077 160 V CB -0.512 31.314 31.823 0.005 0.000 1.054 160 V HN 0.710 nan 8.190 nan 0.000 0.477 161 I N 3.283 123.879 120.570 0.042 0.000 2.252 161 I HA -0.020 4.150 4.170 -0.000 0.000 0.245 161 I C 1.041 177.175 176.117 0.027 0.000 1.102 161 I CA 1.363 62.686 61.300 0.038 0.000 1.385 161 I CB -0.715 37.315 38.000 0.051 0.000 1.064 161 I HN 0.918 nan 8.210 nan 0.000 0.414 162 D N -2.393 118.024 120.400 0.028 0.000 2.970 162 D HA -0.024 4.616 4.640 -0.000 0.000 0.344 162 D C 0.433 176.720 176.300 -0.022 0.000 1.365 162 D CA -0.505 53.501 54.000 0.010 0.000 0.910 162 D CB 0.046 40.863 40.800 0.029 0.000 1.445 162 D HN -0.182 nan 8.370 nan 0.000 0.532 163 N N -1.384 117.273 118.700 -0.072 0.000 2.272 163 N HA -0.191 4.549 4.740 -0.000 0.000 0.185 163 N C 0.574 175.857 175.510 -0.379 0.000 1.014 163 N CA 1.724 54.639 53.050 -0.225 0.000 0.870 163 N CB -0.054 38.270 38.487 -0.272 0.000 0.975 163 N HN 0.418 nan 8.380 nan 0.000 0.433 164 H N -2.439 116.657 119.070 0.043 0.000 3.233 164 H HA 0.225 4.781 4.556 -0.000 0.000 0.263 164 H C -0.240 175.136 175.328 0.080 0.000 1.168 164 H CA 0.456 56.539 56.048 0.060 0.000 1.159 164 H CB 0.413 30.208 29.762 0.056 0.000 1.593 164 H HN 0.242 nan 8.280 nan 0.000 0.580 165 T N -0.603 114.042 114.554 0.152 0.000 2.861 165 T HA 0.661 5.010 4.350 -0.000 0.000 0.287 165 T C -0.276 174.500 174.700 0.126 0.000 1.003 165 T CA -0.714 61.475 62.100 0.149 0.000 0.977 165 T CB 2.535 71.476 68.868 0.122 0.000 0.996 165 T HN -0.133 nan 8.240 nan 0.000 0.448 166 V N 1.738 121.759 119.914 0.178 0.000 2.962 166 V HA 0.698 4.818 4.120 -0.000 0.000 0.313 166 V C -0.513 175.753 176.094 0.286 0.000 1.099 166 V CA -0.935 61.467 62.300 0.170 0.000 0.971 166 V CB 2.023 33.914 31.823 0.114 0.000 1.028 166 V HN 1.079 nan 8.190 nan 0.000 0.430 167 E N 1.419 121.758 120.200 0.231 0.000 2.248 167 E HA 0.818 5.168 4.350 -0.000 0.000 0.267 167 E C -1.145 175.618 176.600 0.271 0.000 0.877 167 E CA -0.573 55.988 56.400 0.268 0.000 0.759 167 E CB 2.249 32.028 29.700 0.131 0.000 1.182 167 E HN 1.030 nan 8.360 nan 0.000 0.418 168 A N 2.068 125.129 122.820 0.402 0.000 2.594 168 A HA 0.641 4.961 4.320 -0.000 0.000 0.296 168 A C -0.123 177.663 177.584 0.338 0.000 1.061 168 A CA 0.101 52.322 52.037 0.307 0.000 0.689 168 A CB 1.105 20.238 19.000 0.221 0.000 1.280 168 A HN 1.347 nan 8.150 nan 0.000 0.406 169 A N -0.020 122.926 122.820 0.210 0.000 2.816 169 A HA 0.271 4.591 4.320 -0.000 0.000 0.270 169 A C 2.112 179.735 177.584 0.066 0.000 1.413 169 A CA 2.336 54.460 52.037 0.145 0.000 0.866 169 A CB -1.826 17.290 19.000 0.193 0.000 1.032 169 A HN 3.198 nan 8.150 nan 0.000 0.642 170 G N -2.935 105.910 108.800 0.076 0.000 2.159 170 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.256 170 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.256 170 G C 0.022 174.914 174.900 -0.013 0.000 0.977 170 G CA 1.391 46.504 45.100 0.023 0.000 0.652 170 G HN 1.217 nan 8.290 nan 0.000 0.531 171 K N -0.791 119.607 120.400 -0.003 0.000 2.238 171 K HA 0.831 5.151 4.320 -0.000 0.000 0.239 171 K C -0.256 176.172 176.600 -0.286 0.000 0.987 171 K CA -0.782 55.396 56.287 -0.181 0.000 0.857 171 K CB 2.490 34.822 32.500 -0.279 0.000 1.154 171 K HN 0.465 nan 8.250 nan 0.000 0.439 172 V N 2.564 122.204 119.914 -0.457 0.000 2.513 172 V HA 0.664 4.784 4.120 -0.000 0.000 0.299 172 V C -1.647 174.116 176.094 -0.552 0.000 1.035 172 V CA -0.533 61.578 62.300 -0.315 0.000 0.889 172 V CB 0.564 32.315 31.823 -0.119 0.000 0.988 172 V HN 0.558 nan 8.190 nan 0.000 0.440 173 F N 4.526 124.540 119.950 0.106 0.000 2.563 173 F HA 0.725 5.252 4.527 -0.000 0.000 0.316 173 F C -0.006 175.881 175.800 0.144 0.000 1.076 173 F CA -0.866 57.224 58.000 0.150 0.000 0.921 173 F CB 2.115 41.209 39.000 0.157 0.000 1.209 173 F HN 0.247 nan 8.300 nan 0.000 0.462 174 K N 1.338 121.954 120.400 0.361 0.000 2.316 174 K HA 0.914 5.234 4.320 -0.000 0.000 0.251 174 K C -1.277 175.512 176.600 0.314 0.000 0.934 174 K CA -0.734 55.714 56.287 0.268 0.000 0.802 174 K CB 2.358 34.958 32.500 0.167 0.000 1.171 174 K HN 0.740 nan 8.250 nan 0.000 0.426 175 A N 1.768 124.754 122.820 0.278 0.000 2.520 175 A HA 0.335 4.655 4.320 -0.000 0.000 0.298 175 A C -0.050 177.700 177.584 0.276 0.000 1.051 175 A CA -0.776 51.426 52.037 0.276 0.000 0.690 175 A CB 1.177 20.326 19.000 0.248 0.000 1.281 175 A HN 0.763 nan 8.150 nan 0.000 0.402 176 K N 0.480 121.006 120.400 0.210 0.000 2.211 176 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 176 K C 0.301 177.077 176.600 0.293 0.000 1.047 176 K CA 1.337 57.744 56.287 0.200 0.000 0.935 176 K CB -0.025 32.549 32.500 0.123 0.000 0.728 176 K HN 0.669 nan 8.250 nan 0.000 0.452 177 N N -0.611 118.216 118.700 0.212 0.000 2.774 177 N HA 0.409 5.149 4.740 -0.000 0.000 0.264 177 N C -1.353 174.195 175.510 0.063 0.000 1.415 177 N CA -0.595 52.549 53.050 0.157 0.000 0.815 177 N CB 2.010 40.587 38.487 0.150 0.000 1.514 177 N HN -0.148 nan 8.380 nan 0.000 0.523 178 L N 1.367 122.611 121.223 0.035 0.000 2.436 178 L HA 0.586 4.926 4.340 -0.000 0.000 0.268 178 L C -0.994 175.846 176.870 -0.049 0.000 0.974 178 L CA -0.628 54.184 54.840 -0.047 0.000 0.826 178 L CB 2.605 44.638 42.059 -0.045 0.000 1.291 178 L HN 0.471 nan 8.230 nan 0.000 0.406 179 I N 4.451 124.876 120.570 -0.242 0.000 2.439 179 I HA 0.364 4.534 4.170 -0.000 0.000 0.283 179 I C -0.974 175.045 176.117 -0.163 0.000 1.023 179 I CA -0.460 60.689 61.300 -0.252 0.000 1.100 179 I CB 1.110 38.725 38.000 -0.641 0.000 1.238 179 I HN 0.477 nan 8.210 nan 0.000 0.445 180 L N 8.136 129.339 121.223 -0.033 0.000 2.315 180 L HA 0.527 4.867 4.340 -0.000 0.000 0.283 180 L C 0.587 177.481 176.870 0.040 0.000 1.089 180 L CA -0.163 54.678 54.840 0.002 0.000 0.833 180 L CB 0.977 43.041 42.059 0.007 0.000 1.170 180 L HN 0.770 nan 8.230 nan 0.000 0.442 181 A N 3.491 126.349 122.820 0.063 0.000 3.176 181 A HA 0.356 4.676 4.320 -0.000 0.000 0.265 181 A C 0.643 178.271 177.584 0.073 0.000 0.936 181 A CA -0.245 51.848 52.037 0.094 0.000 1.033 181 A CB 0.588 19.692 19.000 0.174 0.000 1.158 181 A HN 0.511 nan 8.150 nan 0.000 0.485 182 V N 0.026 119.966 119.914 0.044 0.000 3.406 182 V HA 0.250 4.370 4.120 -0.000 0.000 0.263 182 V C 1.696 177.811 176.094 0.036 0.000 1.172 182 V CA 1.606 63.921 62.300 0.026 0.000 1.140 182 V CB -0.894 30.930 31.823 0.001 0.000 0.784 182 V HN 1.359 nan 8.190 nan 0.000 0.467 183 G N 0.312 109.139 108.800 0.045 0.000 2.692 183 G HA2 0.003 3.963 3.960 -0.000 0.000 0.248 183 G HA3 0.003 3.963 3.960 -0.000 0.000 0.248 183 G C -0.025 174.900 174.900 0.041 0.000 1.340 183 G CA -0.140 44.990 45.100 0.051 0.000 0.896 183 G HN 1.255 nan 8.290 nan 0.000 0.570 184 A N -0.833 122.019 122.820 0.054 0.000 2.330 184 A HA 0.973 5.293 4.320 -0.000 0.000 0.329 184 A C 0.607 178.238 177.584 0.078 0.000 1.135 184 A CA 0.634 52.700 52.037 0.049 0.000 0.817 184 A CB 1.581 20.604 19.000 0.038 0.000 1.269 184 A HN 2.386 nan 8.150 nan 0.000 0.469 185 G N 0.540 109.375 108.800 0.059 0.000 2.410 185 G HA2 0.639 4.599 3.960 -0.000 0.000 0.330 185 G HA3 0.639 4.599 3.960 -0.000 0.000 0.330 185 G C -2.718 172.236 174.900 0.089 0.000 1.142 185 G CA -1.749 43.394 45.100 0.071 0.000 0.902 185 G HN 0.547 nan 8.290 nan 0.000 0.491 186 P HA 0.057 nan 4.420 nan 0.000 0.264 186 P C 0.833 178.151 177.300 0.030 0.000 1.183 186 P CA 0.192 63.355 63.100 0.104 0.000 0.763 186 P CB 0.761 32.468 31.700 0.012 0.000 0.807 187 G N 1.983 110.798 108.800 0.025 0.000 2.699 187 G HA2 0.386 4.346 3.960 -0.000 0.000 0.246 187 G HA3 0.386 4.346 3.960 -0.000 0.000 0.246 187 G C -0.331 174.546 174.900 -0.038 0.000 1.219 187 G CA 0.096 45.192 45.100 -0.006 0.000 0.866 187 G HN 0.663 nan 8.290 nan 0.000 0.572 188 T N -1.438 113.092 114.554 -0.041 0.000 2.816 188 T HA 0.493 4.843 4.350 -0.000 0.000 0.299 188 T C -1.677 172.993 174.700 -0.050 0.000 1.230 188 T CA -0.589 61.477 62.100 -0.057 0.000 1.007 188 T CB 1.510 70.346 68.868 -0.054 0.000 1.289 188 T HN 0.428 nan 8.240 nan 0.000 0.508 189 L N 2.612 123.800 121.223 -0.059 0.000 2.313 189 L HA 0.579 4.919 4.340 -0.000 0.000 0.283 189 L C -0.747 176.096 176.870 -0.044 0.000 1.013 189 L CA -0.268 54.543 54.840 -0.049 0.000 0.816 189 L CB 1.465 43.491 42.059 -0.055 0.000 1.236 189 L HN 0.658 nan 8.230 nan 0.000 0.419 190 D N 3.366 123.745 120.400 -0.035 0.000 2.517 190 D HA 0.381 5.020 4.640 -0.000 0.000 0.220 190 D C -1.000 175.283 176.300 -0.030 0.000 1.158 190 D CA 0.550 54.531 54.000 -0.031 0.000 0.992 190 D CB 0.321 41.105 40.800 -0.025 0.000 1.058 190 D HN 0.245 nan 8.370 nan 0.000 0.516 191 V N 3.273 123.167 119.914 -0.034 0.000 2.971 191 V HA 0.540 4.660 4.120 -0.000 0.000 0.309 191 V C -2.449 173.624 176.094 -0.034 0.000 1.130 191 V CA -2.160 60.121 62.300 -0.032 0.000 0.964 191 V CB 2.730 34.534 31.823 -0.033 0.000 1.029 191 V HN 0.254 nan 8.190 nan 0.000 0.427 192 P HA 0.334 nan 4.420 nan 0.000 0.271 192 P C 0.536 177.815 177.300 -0.036 0.000 1.226 192 P CA 1.261 64.343 63.100 -0.031 0.000 0.765 192 P CB 1.003 32.688 31.700 -0.025 0.000 0.835 193 G N 2.302 111.077 108.800 -0.041 0.000 2.218 193 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 193 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 193 G C 0.784 175.647 174.900 -0.062 0.000 0.994 193 G CA 0.022 45.093 45.100 -0.048 0.000 0.637 193 G HN 0.481 nan 8.290 nan 0.000 0.505 194 V N 0.953 120.829 119.914 -0.063 0.000 2.909 194 V HA -0.124 3.996 4.120 -0.000 0.000 0.265 194 V C 1.843 177.879 176.094 -0.097 0.000 1.128 194 V CA 2.754 65.007 62.300 -0.079 0.000 1.149 194 V CB -0.315 31.465 31.823 -0.071 0.000 0.725 194 V HN 0.595 nan 8.190 nan 0.000 0.511 195 N N -0.372 118.275 118.700 -0.088 0.000 2.205 195 N HA 0.246 4.986 4.740 -0.000 0.000 0.201 195 N C 0.697 176.141 175.510 -0.110 0.000 1.128 195 N CA 0.594 53.584 53.050 -0.099 0.000 0.867 195 N CB 0.528 38.969 38.487 -0.076 0.000 0.996 195 N HN 0.496 nan 8.380 nan 0.000 0.503 196 A N 1.647 124.408 122.820 -0.099 0.000 2.567 196 A HA -0.043 4.277 4.320 -0.000 0.000 0.240 196 A C 1.256 178.760 177.584 -0.133 0.000 1.053 196 A CA 0.206 52.186 52.037 -0.096 0.000 0.755 196 A CB 0.271 19.226 19.000 -0.075 0.000 0.978 196 A HN 0.210 nan 8.150 nan 0.000 0.507 197 K N 2.309 122.632 120.400 -0.128 0.000 2.207 197 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 197 K C 1.849 178.341 176.600 -0.179 0.000 1.046 197 K CA 1.883 58.076 56.287 -0.157 0.000 0.929 197 K CB -0.238 32.181 32.500 -0.134 0.000 0.720 197 K HN 0.847 nan 8.250 nan 0.000 0.463 198 G N 0.949 109.700 108.800 -0.083 0.000 2.572 198 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.216 198 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.216 198 G C 0.536 175.417 174.900 -0.032 0.000 1.133 198 G CA -0.041 45.130 45.100 0.119 0.000 0.791 198 G HN 0.041 nan 8.290 nan 0.000 0.538 199 V N 0.522 120.288 119.914 -0.246 0.000 2.811 199 V HA 0.523 4.643 4.120 -0.000 0.000 0.302 199 V C -0.342 175.446 176.094 -0.511 0.000 1.063 199 V CA -0.046 62.086 62.300 -0.280 0.000 1.088 199 V CB 0.579 32.268 31.823 -0.223 0.000 0.982 199 V HN 0.104 nan 8.190 nan 0.000 0.485 200 F N 1.474 121.286 119.950 -0.230 0.000 2.654 200 F HA 0.558 5.085 4.527 -0.000 0.000 0.308 200 F C -0.413 175.091 175.800 -0.493 0.000 1.108 200 F CA -1.011 56.870 58.000 -0.198 0.000 0.957 200 F CB 2.078 41.068 39.000 -0.017 0.000 1.309 200 F HN 0.709 nan 8.300 nan 0.000 0.446 201 D N -1.640 118.637 120.400 -0.204 0.000 2.533 201 D HA 0.257 4.897 4.640 -0.000 0.000 0.247 201 D C 0.682 176.834 176.300 -0.246 0.000 1.056 201 D CA -0.549 53.106 54.000 -0.575 0.000 1.054 201 D CB 0.397 41.000 40.800 -0.328 0.000 1.400 201 D HN 0.641 nan 8.370 nan 0.000 0.533 202 H N -0.606 118.379 119.070 -0.140 0.000 2.390 202 H HA -0.065 4.491 4.556 -0.000 0.000 0.298 202 H C 1.584 177.066 175.328 0.257 0.000 1.106 202 H CA 2.453 58.589 56.048 0.147 0.000 1.297 202 H CB -0.411 29.384 29.762 0.055 0.000 1.375 202 H HN 0.384 nan 8.280 nan 0.000 0.509 203 A N 0.002 122.376 122.820 -0.743 0.000 1.854 203 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 203 A C 2.628 180.273 177.584 0.102 0.000 1.192 203 A CA 1.787 53.661 52.037 -0.271 0.000 0.611 203 A CB -1.295 17.526 19.000 -0.299 0.000 0.832 203 A HN 0.566 nan 8.150 nan 0.000 0.442 204 T N -0.460 114.155 114.554 0.102 0.000 2.833 204 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 204 T C 1.770 176.746 174.700 0.461 0.000 1.054 204 T CA 1.555 63.807 62.100 0.253 0.000 1.135 204 T CB -0.468 68.509 68.868 0.182 0.000 0.869 204 T HN 0.278 nan 8.240 nan 0.000 0.466 205 L N 1.951 123.449 121.223 0.458 0.000 2.127 205 L HA 0.021 4.361 4.340 -0.000 0.000 0.211 205 L C 2.251 179.291 176.870 0.283 0.000 1.089 205 L CA 1.710 56.745 54.840 0.325 0.000 0.757 205 L CB -0.546 41.750 42.059 0.396 0.000 0.899 205 L HN 0.322 nan 8.230 nan 0.000 0.434 206 V N -4.315 115.808 119.914 0.348 0.000 3.646 206 V HA 0.171 4.291 4.120 -0.000 0.000 0.277 206 V C 1.274 177.532 176.094 0.273 0.000 1.274 206 V CA 0.822 63.333 62.300 0.352 0.000 1.164 206 V CB -0.335 31.753 31.823 0.442 0.000 0.926 206 V HN 0.456 nan 8.190 nan 0.000 0.442 207 E N 0.092 120.464 120.200 0.286 0.000 2.665 207 E HA 0.263 4.613 4.350 -0.000 0.000 0.225 207 E C 0.904 177.672 176.600 0.279 0.000 0.922 207 E CA 0.208 56.764 56.400 0.260 0.000 1.242 207 E CB 0.781 30.640 29.700 0.265 0.000 1.197 207 E HN 0.716 nan 8.360 nan 0.000 0.581 208 E N 0.083 120.510 120.200 0.379 0.000 2.846 208 E HA 0.140 4.490 4.350 -0.000 0.000 0.211 208 E C -0.690 176.277 176.600 0.611 0.000 0.975 208 E CA -0.109 56.564 56.400 0.455 0.000 1.211 208 E CB 0.909 30.874 29.700 0.442 0.000 1.052 208 E HN -0.070 nan 8.360 nan 0.000 0.487 209 L N 3.060 124.500 121.223 0.361 0.000 2.399 209 L HA 0.123 4.463 4.340 -0.000 0.000 0.257 209 L C 0.530 177.516 176.870 0.193 0.000 1.236 209 L CA 0.198 55.136 54.840 0.164 0.000 1.144 209 L CB 0.068 42.051 42.059 -0.127 0.000 1.379 209 L HN 0.042 nan 8.230 nan 0.000 0.414 210 D N 1.812 122.426 120.400 0.356 0.000 2.328 210 D HA -0.014 4.626 4.640 -0.000 0.000 0.221 210 D C 0.003 176.500 176.300 0.327 0.000 1.072 210 D CA 0.045 54.218 54.000 0.288 0.000 0.850 210 D CB -0.214 40.745 40.800 0.265 0.000 0.922 210 D HN 0.475 nan 8.370 nan 0.000 0.516 211 Y N -2.005 118.359 120.300 0.107 0.000 2.689 211 Y HA 0.676 5.226 4.550 -0.000 0.000 0.333 211 Y C -1.153 174.750 175.900 0.004 0.000 1.190 211 Y CA -1.728 56.410 58.100 0.064 0.000 1.063 211 Y CB 0.898 39.410 38.460 0.087 0.000 1.294 211 Y HN -0.248 nan 8.280 nan 0.000 0.466 212 E N 2.839 122.993 120.200 -0.077 0.000 2.081 212 E HA 0.504 4.854 4.350 -0.000 0.000 0.276 212 E C -2.686 173.755 176.600 -0.266 0.000 0.950 212 E CA -2.618 53.640 56.400 -0.238 0.000 0.776 212 E CB 0.929 30.573 29.700 -0.093 0.000 1.094 212 E HN 0.463 nan 8.360 nan 0.000 0.402 213 P HA 0.090 nan 4.420 nan 0.000 0.271 213 P C -0.072 177.131 177.300 -0.161 0.000 1.228 213 P CA 0.085 62.922 63.100 -0.438 0.000 0.797 213 P CB 0.598 31.677 31.700 -1.035 0.000 0.914 214 G N -0.810 107.969 108.800 -0.034 0.000 2.557 214 G HA2 0.317 4.277 3.960 -0.000 0.000 0.302 214 G HA3 0.317 4.277 3.960 -0.000 0.000 0.302 214 G C 0.890 175.769 174.900 -0.035 0.000 1.311 214 G CA -0.066 45.030 45.100 -0.006 0.000 1.030 214 G HN 0.488 nan 8.290 nan 0.000 0.509 215 S N -1.679 114.011 115.700 -0.016 0.000 2.571 215 S HA 0.035 4.505 4.470 -0.000 0.000 0.245 215 S C 0.678 175.272 174.600 -0.010 0.000 0.976 215 S CA 1.056 59.244 58.200 -0.020 0.000 0.954 215 S CB -0.336 62.858 63.200 -0.010 0.000 0.756 215 S HN 0.487 nan 8.310 nan 0.000 0.535 216 T N 0.959 115.518 114.554 0.009 0.000 2.952 216 T HA 0.608 4.958 4.350 -0.000 0.000 0.305 216 T C -1.168 173.568 174.700 0.061 0.000 1.064 216 T CA -0.621 61.495 62.100 0.027 0.000 1.008 216 T CB 2.080 70.967 68.868 0.031 0.000 1.078 216 T HN 0.011 nan 8.240 nan 0.000 0.459 217 V N 2.702 122.653 119.914 0.062 0.000 2.709 217 V HA 0.606 4.726 4.120 -0.000 0.000 0.308 217 V C -0.601 175.530 176.094 0.063 0.000 1.062 217 V CA -0.792 61.562 62.300 0.090 0.000 0.901 217 V CB 2.196 34.051 31.823 0.053 0.000 1.003 217 V HN 0.737 nan 8.190 nan 0.000 0.425 218 V N 5.049 124.980 119.914 0.029 0.000 2.384 218 V HA 0.521 4.641 4.120 -0.000 0.000 0.287 218 V C -0.291 175.836 176.094 0.055 0.000 1.020 218 V CA -0.529 61.793 62.300 0.036 0.000 0.850 218 V CB 1.862 33.693 31.823 0.013 0.000 0.987 218 V HN 0.612 nan 8.190 nan 0.000 0.436 219 V N 5.669 125.656 119.914 0.123 0.000 2.459 219 V HA 0.463 4.583 4.120 -0.000 0.000 0.295 219 V C -0.211 175.963 176.094 0.134 0.000 1.029 219 V CA -0.641 61.784 62.300 0.208 0.000 0.874 219 V CB 2.082 34.086 31.823 0.300 0.000 0.985 219 V HN 0.606 nan 8.190 nan 0.000 0.438 220 V N 4.080 124.060 119.914 0.111 0.000 2.328 220 V HA 0.958 5.078 4.120 -0.000 0.000 0.278 220 V C 0.575 176.710 176.094 0.069 0.000 1.021 220 V CA 0.349 62.682 62.300 0.055 0.000 0.838 220 V CB 0.469 32.293 31.823 0.001 0.000 0.999 220 V HN 1.252 nan 8.190 nan 0.000 0.447 221 G N 3.185 112.025 108.800 0.066 0.000 2.347 221 G HA2 0.457 4.417 3.960 -0.000 0.000 0.321 221 G HA3 0.457 4.417 3.960 -0.000 0.000 0.321 221 G C -0.025 174.911 174.900 0.060 0.000 1.412 221 G CA -0.053 45.084 45.100 0.062 0.000 0.990 221 G HN 0.983 nan 8.290 nan 0.000 0.637 222 G N -0.950 107.876 108.800 0.045 0.000 3.815 222 G HA2 0.539 4.499 3.960 -0.000 0.000 0.265 222 G HA3 0.539 4.499 3.960 -0.000 0.000 0.265 222 G C 0.479 175.393 174.900 0.024 0.000 1.026 222 G CA 1.568 46.687 45.100 0.032 0.000 0.868 222 G HN 1.109 nan 8.290 nan 0.000 0.476 223 S N -0.546 115.172 115.700 0.030 0.000 2.667 223 S HA 0.449 4.919 4.470 -0.000 0.000 0.292 223 S C 1.607 176.220 174.600 0.022 0.000 1.108 223 S CA -0.384 57.828 58.200 0.020 0.000 0.992 223 S CB 0.977 64.188 63.200 0.019 0.000 1.269 223 S HN 0.155 nan 8.310 nan 0.000 0.528 224 K N 0.302 120.703 120.400 0.002 0.000 1.987 224 K HA -0.199 4.121 4.320 -0.000 0.000 0.232 224 K C 2.160 178.756 176.600 -0.006 0.000 1.003 224 K CA 2.505 58.774 56.287 -0.031 0.000 1.066 224 K CB -1.360 31.084 32.500 -0.094 0.000 0.718 224 K HN 0.887 nan 8.250 nan 0.000 0.477 225 T N -0.408 114.143 114.554 -0.005 0.000 2.751 225 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 225 T C 1.988 176.827 174.700 0.231 0.000 1.045 225 T CA 1.625 63.792 62.100 0.111 0.000 1.142 225 T CB -0.505 68.415 68.868 0.087 0.000 0.851 225 T HN 0.391 nan 8.240 nan 0.000 0.474 226 A N 0.798 123.725 122.820 0.178 0.000 1.872 226 A HA 0.163 4.483 4.320 -0.000 0.000 0.214 226 A C 2.667 180.339 177.584 0.146 0.000 1.187 226 A CA 1.461 53.626 52.037 0.213 0.000 0.614 226 A CB -0.843 18.247 19.000 0.150 0.000 0.826 226 A HN 0.446 nan 8.150 nan 0.000 0.442 227 V N 0.097 120.061 119.914 0.083 0.000 2.453 227 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 227 V C 2.350 178.444 176.094 0.001 0.000 1.048 227 V CA 2.080 64.401 62.300 0.035 0.000 1.049 227 V CB -0.816 31.017 31.823 0.017 0.000 0.672 227 V HN 0.622 nan 8.190 nan 0.000 0.457 228 E N -0.530 119.687 120.200 0.028 0.000 2.017 228 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 228 E C 2.129 178.666 176.600 -0.106 0.000 0.997 228 E CA 1.924 58.324 56.400 -0.001 0.000 0.804 228 E CB -0.303 29.398 29.700 0.003 0.000 0.757 228 E HN 0.692 nan 8.360 nan 0.000 0.448 229 Y N 0.410 120.559 120.300 -0.251 0.000 2.421 229 Y HA -0.083 4.467 4.550 -0.000 0.000 0.292 229 Y C 2.427 177.931 175.900 -0.662 0.000 1.136 229 Y CA 0.619 58.358 58.100 -0.603 0.000 1.255 229 Y CB -0.296 37.567 38.460 -0.995 0.000 0.991 229 Y HN 0.128 nan 8.280 nan 0.000 0.552 230 G N -0.856 107.887 108.800 -0.095 0.000 2.421 230 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 230 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 230 G C 1.602 176.477 174.900 -0.041 0.000 1.171 230 G CA 1.299 46.420 45.100 0.035 0.000 0.775 230 G HN 0.446 nan 8.290 nan 0.000 0.543 231 C N -0.067 119.134 119.300 -0.166 0.000 2.450 231 C HA 0.109 4.568 4.460 -0.000 0.000 0.279 231 C C 2.399 177.284 174.990 -0.174 0.000 1.335 231 C CA 0.418 59.224 59.018 -0.355 0.000 1.749 231 C CB -1.168 26.041 27.740 -0.884 0.000 1.963 231 C HN 0.473 nan 8.230 nan 0.000 0.501 232 F N 1.313 121.051 119.950 -0.354 0.000 2.146 232 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 232 F C 1.794 177.465 175.800 -0.216 0.000 1.096 232 F CA 1.395 59.202 58.000 -0.322 0.000 1.275 232 F CB -0.713 37.978 39.000 -0.516 0.000 1.008 232 F HN 0.145 nan 8.300 nan 0.000 0.480 233 F N 0.959 120.644 119.950 -0.441 0.000 2.113 233 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 233 F C 2.479 178.109 175.800 -0.284 0.000 1.103 233 F CA 1.482 59.185 58.000 -0.496 0.000 1.248 233 F CB -1.781 37.106 39.000 -0.188 0.000 0.999 233 F HN 0.146 nan 8.300 nan 0.000 0.475 234 N N 0.504 119.245 118.700 0.070 0.000 2.036 234 N HA -0.230 4.510 4.740 -0.000 0.000 0.195 234 N C 1.929 177.458 175.510 0.030 0.000 1.037 234 N CA 1.793 54.891 53.050 0.078 0.000 0.855 234 N CB -0.339 38.245 38.487 0.162 0.000 1.033 234 N HN 0.159 nan 8.380 nan 0.000 0.423 235 A N -0.235 122.632 122.820 0.079 0.000 1.892 235 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 235 A C 2.265 179.807 177.584 -0.069 0.000 1.188 235 A CA 2.490 54.548 52.037 0.035 0.000 0.631 235 A CB -1.849 17.237 19.000 0.142 0.000 0.822 235 A HN 0.681 nan 8.150 nan 0.000 0.447 236 T N -2.929 111.512 114.554 -0.188 0.000 3.139 236 T HA 0.300 4.650 4.350 -0.000 0.000 0.267 236 T C 1.210 175.840 174.700 -0.117 0.000 1.164 236 T CA 1.120 63.107 62.100 -0.187 0.000 1.075 236 T CB -0.919 67.751 68.868 -0.330 0.000 0.904 236 T HN 1.982 nan 8.240 nan 0.000 0.540 237 G N 1.166 109.913 108.800 -0.088 0.000 2.303 237 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 237 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 237 G C -0.245 174.619 174.900 -0.060 0.000 1.106 237 G CA -0.409 44.651 45.100 -0.067 0.000 0.900 237 G HN 0.744 nan 8.290 nan 0.000 0.495 238 R N -0.558 119.911 120.500 -0.050 0.000 2.628 238 R HA 0.466 4.806 4.340 -0.000 0.000 0.288 238 R C 0.464 176.762 176.300 -0.004 0.000 0.980 238 R CA -1.108 54.970 56.100 -0.037 0.000 0.891 238 R CB 1.635 31.899 30.300 -0.061 0.000 1.188 238 R HN 0.257 nan 8.270 nan 0.000 0.450 239 R N 2.116 122.616 120.500 0.000 0.000 2.483 239 R HA 0.022 4.361 4.340 -0.000 0.000 0.329 239 R C -1.002 175.319 176.300 0.035 0.000 0.961 239 R CA 0.755 56.863 56.100 0.014 0.000 1.041 239 R CB 0.267 30.573 30.300 0.010 0.000 0.930 239 R HN 0.500 nan 8.270 nan 0.000 0.413 240 T N 4.399 118.984 114.554 0.052 0.000 2.758 240 T HA 0.289 4.639 4.350 -0.000 0.000 0.285 240 T C -0.525 174.217 174.700 0.070 0.000 0.981 240 T CA -0.560 61.590 62.100 0.083 0.000 0.965 240 T CB 1.668 70.613 68.868 0.127 0.000 0.927 240 T HN 0.292 nan 8.240 nan 0.000 0.448 241 V N 5.242 125.197 119.914 0.067 0.000 2.357 241 V HA 0.410 4.530 4.120 -0.000 0.000 0.284 241 V C -0.003 176.130 176.094 0.065 0.000 1.018 241 V CA -0.714 61.618 62.300 0.053 0.000 0.841 241 V CB 1.311 33.156 31.823 0.037 0.000 0.991 241 V HN 0.878 nan 8.190 nan 0.000 0.437 242 M N 6.015 125.652 119.600 0.061 0.000 2.157 242 M HA 0.512 4.992 4.480 -0.000 0.000 0.354 242 M C -0.938 175.389 176.300 0.045 0.000 1.170 242 M CA -0.275 55.065 55.300 0.066 0.000 1.060 242 M CB 1.290 33.929 32.600 0.065 0.000 1.615 242 M HN 0.423 nan 8.290 nan 0.000 0.460 243 L N 4.638 125.888 121.223 0.044 0.000 2.295 243 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 243 L C -0.800 176.086 176.870 0.026 0.000 1.018 243 L CA -0.797 54.060 54.840 0.027 0.000 0.841 243 L CB 1.157 43.228 42.059 0.020 0.000 1.218 243 L HN 0.387 nan 8.230 nan 0.000 0.424 244 V N 3.908 123.834 119.914 0.020 0.000 2.394 244 V HA 0.278 4.398 4.120 -0.000 0.000 0.282 244 V C 1.221 177.320 176.094 0.008 0.000 1.031 244 V CA -0.483 61.827 62.300 0.016 0.000 0.881 244 V CB 1.677 33.508 31.823 0.014 0.000 0.982 244 V HN 0.756 nan 8.190 nan 0.000 0.451 245 R N 2.304 122.808 120.500 0.007 0.000 2.083 245 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 245 R C 1.631 177.931 176.300 0.001 0.000 1.137 245 R CA 2.400 58.501 56.100 0.003 0.000 0.951 245 R CB 0.128 30.429 30.300 0.002 0.000 0.851 245 R HN 0.969 nan 8.270 nan 0.000 0.434 246 T N -2.596 111.958 114.554 0.001 0.000 3.330 246 T HA 0.258 4.608 4.350 -0.000 0.000 0.185 246 T C 0.016 174.713 174.700 -0.004 0.000 0.874 246 T CA -0.572 61.527 62.100 -0.002 0.000 1.268 246 T CB 0.355 69.222 68.868 -0.002 0.000 1.866 246 T HN -0.085 nan 8.240 nan 0.000 0.395 247 E N 2.147 122.344 120.200 -0.006 0.000 2.314 247 E HA 0.467 4.817 4.350 -0.000 0.000 0.272 247 E C -2.906 173.688 176.600 -0.011 0.000 0.884 247 E CA -2.349 54.045 56.400 -0.011 0.000 0.753 247 E CB 2.508 32.198 29.700 -0.016 0.000 1.213 247 E HN 0.326 nan 8.360 nan 0.000 0.432 248 P HA 0.227 nan 4.420 nan 0.000 0.278 248 P C 0.180 177.463 177.300 -0.028 0.000 1.238 248 P CA -0.285 62.808 63.100 -0.011 0.000 0.794 248 P CB 0.872 32.568 31.700 -0.007 0.000 0.955 249 L N 0.285 121.491 121.223 -0.029 0.000 3.677 249 L HA -0.244 4.096 4.340 -0.000 0.000 0.464 249 L C 1.452 178.274 176.870 -0.081 0.000 1.278 249 L CA 0.375 55.181 54.840 -0.057 0.000 0.806 249 L CB -1.519 40.497 42.059 -0.070 0.000 1.610 249 L HN 0.531 nan 8.230 nan 0.000 0.867 250 K N -0.033 120.335 120.400 -0.053 0.000 2.211 250 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 250 K C 1.745 178.300 176.600 -0.075 0.000 1.050 250 K CA 0.901 57.157 56.287 -0.052 0.000 0.945 250 K CB 0.056 32.543 32.500 -0.022 0.000 0.732 250 K HN 0.260 nan 8.250 nan 0.000 0.451 251 L N 1.226 122.403 121.223 -0.075 0.000 2.549 251 L HA -0.056 4.284 4.340 -0.000 0.000 0.230 251 L C 0.605 177.239 176.870 -0.393 0.000 1.162 251 L CA 1.230 56.023 54.840 -0.079 0.000 0.834 251 L CB -0.190 41.895 42.059 0.042 0.000 0.947 251 L HN 0.071 nan 8.230 nan 0.000 0.452 252 I N -0.517 119.781 120.570 -0.453 0.000 2.377 252 I HA 0.053 4.223 4.170 -0.000 0.000 0.282 252 I C 1.137 177.079 176.117 -0.291 0.000 1.091 252 I CA -0.206 60.722 61.300 -0.620 0.000 1.207 252 I CB 0.470 38.194 38.000 -0.460 0.000 1.429 252 I HN 0.042 nan 8.210 nan 0.000 0.491 253 K N 1.978 122.267 120.400 -0.185 0.000 2.147 253 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 253 K C 0.468 176.997 176.600 -0.117 0.000 1.049 253 K CA 0.928 57.167 56.287 -0.080 0.000 0.936 253 K CB -0.094 32.420 32.500 0.023 0.000 0.722 253 K HN 0.474 nan 8.250 nan 0.000 0.446 254 D N 0.763 121.025 120.400 -0.229 0.000 2.339 254 D HA 0.033 4.673 4.640 -0.000 0.000 0.256 254 D C 0.383 176.567 176.300 -0.194 0.000 1.214 254 D CA 0.088 53.904 54.000 -0.307 0.000 0.877 254 D CB 0.561 40.920 40.800 -0.736 0.000 1.111 254 D HN 0.048 nan 8.370 nan 0.000 0.478 255 N N 2.789 121.412 118.700 -0.128 0.000 2.018 255 N HA -0.221 4.519 4.740 -0.000 0.000 0.196 255 N C 1.180 176.615 175.510 -0.125 0.000 1.043 255 N CA 1.132 54.119 53.050 -0.105 0.000 0.856 255 N CB 0.026 38.470 38.487 -0.072 0.000 1.042 255 N HN 0.584 nan 8.380 nan 0.000 0.423 256 E N 0.171 120.302 120.200 -0.115 0.000 2.065 256 E HA -0.219 4.131 4.350 -0.000 0.000 0.201 256 E C 2.061 178.435 176.600 -0.377 0.000 1.016 256 E CA 1.797 58.080 56.400 -0.196 0.000 0.818 256 E CB -0.283 29.382 29.700 -0.058 0.000 0.749 256 E HN 0.422 nan 8.360 nan 0.000 0.453 257 T N 0.923 115.355 114.554 -0.204 0.000 2.580 257 T HA -0.264 4.086 4.350 -0.000 0.000 0.265 257 T C 1.846 176.465 174.700 -0.136 0.000 1.063 257 T CA 1.664 63.692 62.100 -0.120 0.000 1.170 257 T CB -0.390 68.532 68.868 0.089 0.000 0.863 257 T HN 0.194 nan 8.240 nan 0.000 0.418 258 R N 1.161 121.582 120.500 -0.132 0.000 2.133 258 R HA -0.164 4.176 4.340 -0.000 0.000 0.247 258 R C 2.543 178.775 176.300 -0.112 0.000 1.151 258 R CA 1.634 57.661 56.100 -0.122 0.000 0.971 258 R CB -0.527 29.692 30.300 -0.135 0.000 0.866 258 R HN 0.429 nan 8.270 nan 0.000 0.447 259 A N 0.047 122.785 122.820 -0.137 0.000 1.855 259 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 259 A C 2.017 179.525 177.584 -0.128 0.000 1.191 259 A CA 1.360 53.322 52.037 -0.125 0.000 0.613 259 A CB -0.980 17.941 19.000 -0.132 0.000 0.829 259 A HN 0.609 nan 8.150 nan 0.000 0.442 260 Y N 0.835 120.936 120.300 -0.331 0.000 2.165 260 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 260 Y C 2.329 178.126 175.900 -0.172 0.000 1.155 260 Y CA 1.952 59.858 58.100 -0.323 0.000 1.164 260 Y CB -0.422 37.679 38.460 -0.598 0.000 0.978 260 Y HN 0.063 nan 8.280 nan 0.000 0.513 261 V N 0.488 120.331 119.914 -0.118 0.000 2.287 261 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 261 V C 2.481 178.515 176.094 -0.099 0.000 1.053 261 V CA 2.134 64.381 62.300 -0.088 0.000 1.027 261 V CB -0.878 30.943 31.823 -0.003 0.000 0.646 261 V HN 0.444 nan 8.190 nan 0.000 0.447 262 L N -0.318 120.848 121.223 -0.095 0.000 1.961 262 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 262 L C 2.503 179.320 176.870 -0.088 0.000 1.072 262 L CA 1.936 56.733 54.840 -0.071 0.000 0.749 262 L CB -0.969 41.052 42.059 -0.065 0.000 0.889 262 L HN 0.326 nan 8.230 nan 0.000 0.432 263 D N -0.217 120.108 120.400 -0.125 0.000 2.172 263 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 263 D C 2.330 178.552 176.300 -0.130 0.000 0.999 263 D CA 1.140 55.068 54.000 -0.121 0.000 0.856 263 D CB -0.201 40.518 40.800 -0.134 0.000 0.934 263 D HN 0.240 nan 8.370 nan 0.000 0.453 264 R N 0.078 120.456 120.500 -0.203 0.000 2.075 264 R HA 0.004 4.344 4.340 -0.000 0.000 0.232 264 R C 2.450 178.725 176.300 -0.041 0.000 1.126 264 R CA 0.569 56.588 56.100 -0.136 0.000 0.963 264 R CB -0.606 29.637 30.300 -0.095 0.000 0.858 264 R HN 0.343 nan 8.270 nan 0.000 0.435 265 M N 0.425 120.023 119.600 -0.003 0.000 2.077 265 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 265 M C 2.092 178.402 176.300 0.017 0.000 1.070 265 M CA 1.617 56.950 55.300 0.055 0.000 1.125 265 M CB -0.235 32.394 32.600 0.048 0.000 1.339 265 M HN -0.143 nan 8.290 nan 0.000 0.409 266 K N 0.685 121.078 120.400 -0.012 0.000 2.034 266 K HA -0.219 4.101 4.320 -0.000 0.000 0.214 266 K C 1.665 178.249 176.600 -0.027 0.000 1.051 266 K CA 1.650 57.926 56.287 -0.018 0.000 0.931 266 K CB -0.566 31.916 32.500 -0.029 0.000 0.715 266 K HN 0.347 nan 8.250 nan 0.000 0.446 267 E N 0.127 120.304 120.200 -0.040 0.000 2.393 267 E HA -0.222 4.128 4.350 -0.000 0.000 0.201 267 E C 0.962 177.522 176.600 -0.068 0.000 1.025 267 E CA 0.792 57.165 56.400 -0.045 0.000 0.856 267 E CB 0.174 29.854 29.700 -0.034 0.000 0.771 267 E HN 0.232 nan 8.360 nan 0.000 0.526 268 Q N -1.204 118.551 119.800 -0.074 0.000 2.319 268 Q HA 0.097 4.436 4.340 -0.000 0.000 0.202 268 Q C 1.012 176.972 176.000 -0.066 0.000 0.896 268 Q CA 0.714 56.445 55.803 -0.120 0.000 0.942 268 Q CB 1.461 30.081 28.738 -0.197 0.000 1.083 268 Q HN 0.446 nan 8.270 nan 0.000 0.510 269 G N 0.827 109.606 108.800 -0.035 0.000 2.176 269 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.232 269 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.232 269 G C 0.244 175.148 174.900 0.006 0.000 0.986 269 G CA -0.023 45.066 45.100 -0.019 0.000 0.643 269 G HN 0.233 nan 8.290 nan 0.000 0.522 270 M N 1.139 120.753 119.600 0.024 0.000 2.211 270 M HA 0.386 4.866 4.480 -0.000 0.000 0.356 270 M C 0.075 176.390 176.300 0.026 0.000 1.216 270 M CA 0.410 55.735 55.300 0.043 0.000 1.134 270 M CB 0.676 33.317 32.600 0.068 0.000 1.564 270 M HN 0.225 nan 8.290 nan 0.000 0.463 271 E N 4.242 124.459 120.200 0.028 0.000 2.129 271 E HA 0.466 4.816 4.350 -0.000 0.000 0.268 271 E C -1.074 175.540 176.600 0.024 0.000 0.900 271 E CA -0.288 56.123 56.400 0.019 0.000 0.755 271 E CB 1.564 31.274 29.700 0.016 0.000 1.117 271 E HN 0.570 nan 8.360 nan 0.000 0.410 272 I N 4.489 125.068 120.570 0.016 0.000 2.330 272 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 272 I C -0.473 175.650 176.117 0.010 0.000 1.025 272 I CA -0.793 60.517 61.300 0.016 0.000 1.197 272 I CB 0.673 38.679 38.000 0.011 0.000 1.358 272 I HN 0.381 nan 8.210 nan 0.000 0.467 273 I N 5.128 125.706 120.570 0.013 0.000 2.325 273 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 273 I C 0.509 176.630 176.117 0.006 0.000 1.019 273 I CA 0.047 61.352 61.300 0.008 0.000 1.302 273 I CB 1.024 39.030 38.000 0.009 0.000 1.401 273 I HN 0.445 nan 8.210 nan 0.000 0.485 274 S N 3.933 119.634 115.700 0.001 0.000 2.554 274 S HA 0.560 5.030 4.470 -0.000 0.000 0.278 274 S C 0.919 175.518 174.600 -0.001 0.000 1.242 274 S CA -0.019 58.180 58.200 -0.001 0.000 1.051 274 S CB 1.498 64.695 63.200 -0.005 0.000 0.986 274 S HN 1.034 nan 8.310 nan 0.000 0.502 275 G N 1.698 110.498 108.800 -0.001 0.000 2.198 275 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 275 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 275 G C 0.014 174.913 174.900 -0.001 0.000 1.042 275 G CA 0.350 45.449 45.100 -0.002 0.000 0.791 275 G HN 0.847 nan 8.290 nan 0.000 0.502 276 S N -0.117 115.584 115.700 0.001 0.000 2.451 276 S HA 0.703 5.173 4.470 -0.000 0.000 0.301 276 S C -0.189 174.412 174.600 0.000 0.000 1.116 276 S CA -0.748 57.453 58.200 0.001 0.000 1.093 276 S CB 0.884 64.087 63.200 0.004 0.000 1.017 276 S HN 0.351 nan 8.310 nan 0.000 0.482 277 N N 2.906 121.605 118.700 -0.002 0.000 2.296 277 N HA 0.310 5.050 4.740 -0.000 0.000 0.294 277 N C -1.098 174.407 175.510 -0.007 0.000 1.033 277 N CA -0.477 52.570 53.050 -0.005 0.000 0.839 277 N CB 2.035 40.518 38.487 -0.007 0.000 1.395 277 N HN 0.433 nan 8.380 nan 0.000 0.479 278 V N 2.040 121.948 119.914 -0.010 0.000 2.529 278 V HA -0.006 4.114 4.120 -0.000 0.000 0.292 278 V C 1.560 177.645 176.094 -0.015 0.000 1.028 278 V CA 0.584 62.876 62.300 -0.013 0.000 1.074 278 V CB 0.863 32.674 31.823 -0.020 0.000 0.958 278 V HN 0.749 nan 8.190 nan 0.000 0.481 279 T N 5.561 120.107 114.554 -0.014 0.000 2.770 279 T HA 0.076 4.426 4.350 -0.000 0.000 0.258 279 T C 0.667 175.357 174.700 -0.017 0.000 1.039 279 T CA 1.184 63.276 62.100 -0.014 0.000 1.143 279 T CB 0.030 68.892 68.868 -0.011 0.000 0.866 279 T HN 0.853 nan 8.240 nan 0.000 0.428 280 R N -0.753 119.736 120.500 -0.018 0.000 2.741 280 R HA 0.536 4.875 4.340 -0.000 0.000 0.276 280 R C -2.167 174.119 176.300 -0.024 0.000 1.028 280 R CA -0.850 55.237 56.100 -0.022 0.000 0.865 280 R CB 0.504 30.792 30.300 -0.020 0.000 1.268 280 R HN 0.063 nan 8.270 nan 0.000 0.475 281 I N 1.766 122.318 120.570 -0.029 0.000 2.420 281 I HA 0.248 4.418 4.170 -0.000 0.000 0.282 281 I C -0.241 175.859 176.117 -0.028 0.000 1.019 281 I CA -0.732 60.550 61.300 -0.030 0.000 1.130 281 I CB 1.854 39.829 38.000 -0.043 0.000 1.262 281 I HN 0.547 nan 8.210 nan 0.000 0.454 282 E N 6.008 126.195 120.200 -0.021 0.000 2.398 282 E HA 0.182 4.532 4.350 -0.000 0.000 0.263 282 E C -0.412 176.176 176.600 -0.021 0.000 1.046 282 E CA -0.041 56.347 56.400 -0.019 0.000 0.908 282 E CB 1.185 30.877 29.700 -0.012 0.000 0.963 282 E HN 0.552 nan 8.360 nan 0.000 0.431 283 E N 1.605 121.791 120.200 -0.023 0.000 2.518 283 E HA 0.333 4.683 4.350 -0.000 0.000 0.241 283 E C -0.834 175.751 176.600 -0.024 0.000 0.899 283 E CA -0.878 55.505 56.400 -0.028 0.000 0.888 283 E CB 0.870 30.549 29.700 -0.035 0.000 1.426 283 E HN 0.316 nan 8.360 nan 0.000 0.401 284 D N -0.780 119.602 120.400 -0.030 0.000 2.449 284 D HA 0.344 4.984 4.640 -0.000 0.000 0.250 284 D C 0.373 176.658 176.300 -0.026 0.000 1.050 284 D CA -0.557 53.428 54.000 -0.027 0.000 1.024 284 D CB 1.345 42.126 40.800 -0.033 0.000 1.218 284 D HN 0.462 nan 8.370 nan 0.000 0.566 285 A N 0.291 123.098 122.820 -0.022 0.000 2.070 285 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 285 A C 1.405 178.975 177.584 -0.024 0.000 1.159 285 A CA 1.375 53.400 52.037 -0.020 0.000 0.656 285 A CB -0.721 18.270 19.000 -0.016 0.000 0.800 285 A HN 0.586 nan 8.150 nan 0.000 0.453 286 N N -1.546 117.137 118.700 -0.029 0.000 2.376 286 N HA 0.200 4.940 4.740 -0.000 0.000 0.177 286 N C 1.136 176.621 175.510 -0.041 0.000 1.024 286 N CA 0.528 53.557 53.050 -0.034 0.000 0.893 286 N CB 0.113 38.575 38.487 -0.041 0.000 0.980 286 N HN 0.588 nan 8.380 nan 0.000 0.439 287 G N 1.284 110.057 108.800 -0.044 0.000 2.192 287 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.193 287 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.193 287 G C 0.107 174.969 174.900 -0.064 0.000 0.999 287 G CA -0.425 44.645 45.100 -0.050 0.000 0.659 287 G HN 0.296 nan 8.290 nan 0.000 0.503 288 R N 0.635 121.091 120.500 -0.074 0.000 2.528 288 R HA 0.615 4.955 4.340 -0.000 0.000 0.271 288 R C 0.904 177.170 176.300 -0.057 0.000 1.056 288 R CA -0.294 55.752 56.100 -0.091 0.000 1.117 288 R CB 0.741 30.956 30.300 -0.142 0.000 1.085 288 R HN 0.059 nan 8.270 nan 0.000 0.530 289 V N 2.631 122.520 119.914 -0.041 0.000 3.178 289 V HA -0.104 4.016 4.120 -0.000 0.000 0.306 289 V C 1.144 177.239 176.094 0.002 0.000 1.107 289 V CA 0.766 63.057 62.300 -0.014 0.000 1.195 289 V CB 1.187 33.017 31.823 0.012 0.000 0.993 289 V HN 0.965 nan 8.190 nan 0.000 0.493 290 Q N 1.448 121.251 119.800 0.004 0.000 2.330 290 Q HA 0.515 4.855 4.340 -0.000 0.000 0.254 290 Q C 0.100 176.109 176.000 0.015 0.000 0.777 290 Q CA 0.707 56.515 55.803 0.009 0.000 0.972 290 Q CB 1.349 30.085 28.738 -0.003 0.000 1.236 290 Q HN 0.964 nan 8.270 nan 0.000 0.508 291 A N -0.049 122.776 122.820 0.008 0.000 2.586 291 A HA 0.616 4.936 4.320 -0.000 0.000 0.291 291 A C -1.775 175.809 177.584 -0.001 0.000 1.062 291 A CA -0.433 51.608 52.037 0.008 0.000 0.666 291 A CB 1.649 20.652 19.000 0.005 0.000 1.281 291 A HN 0.022 nan 8.150 nan 0.000 0.421 292 V N 0.493 120.407 119.914 -0.000 0.000 2.604 292 V HA 0.629 4.749 4.120 -0.000 0.000 0.305 292 V C -0.591 175.500 176.094 -0.005 0.000 1.043 292 V CA -0.584 61.712 62.300 -0.006 0.000 0.888 292 V CB 1.714 33.533 31.823 -0.007 0.000 0.995 292 V HN 0.805 nan 8.190 nan 0.000 0.429 293 V N 3.454 123.363 119.914 -0.008 0.000 2.459 293 V HA 0.949 5.069 4.120 -0.000 0.000 0.295 293 V C 0.121 176.210 176.094 -0.008 0.000 1.029 293 V CA -0.227 62.069 62.300 -0.007 0.000 0.874 293 V CB 1.547 33.364 31.823 -0.008 0.000 0.985 293 V HN 1.102 nan 8.190 nan 0.000 0.438 294 A N 4.832 127.649 122.820 -0.005 0.000 2.574 294 A HA 0.851 5.171 4.320 -0.000 0.000 0.297 294 A C -1.050 176.532 177.584 -0.004 0.000 1.062 294 A CA -0.671 51.363 52.037 -0.005 0.000 0.686 294 A CB 1.749 20.747 19.000 -0.003 0.000 1.285 294 A HN 0.811 nan 8.150 nan 0.000 0.403 295 M N 1.967 121.565 119.600 -0.005 0.000 2.249 295 M HA 0.638 5.118 4.480 -0.000 0.000 0.351 295 M C 0.286 176.584 176.300 -0.003 0.000 1.180 295 M CA 0.473 55.771 55.300 -0.004 0.000 1.127 295 M CB 1.039 33.636 32.600 -0.005 0.000 1.546 295 M HN 1.100 nan 8.290 nan 0.000 0.461 296 T N 1.960 116.513 114.554 -0.002 0.000 2.903 296 T HA 0.619 4.969 4.350 -0.000 0.000 0.299 296 T C -2.423 172.275 174.700 -0.003 0.000 1.093 296 T CA -1.660 60.438 62.100 -0.002 0.000 1.002 296 T CB 1.440 70.307 68.868 -0.001 0.000 1.127 296 T HN 0.504 nan 8.240 nan 0.000 0.488 297 P HA -0.125 nan 4.420 nan 0.000 0.218 297 P C 0.432 177.730 177.300 -0.004 0.000 1.147 297 P CA 1.214 64.312 63.100 -0.004 0.000 0.827 297 P CB -0.035 31.662 31.700 -0.004 0.000 0.778 298 N N -0.183 118.515 118.700 -0.004 0.000 3.301 298 N HA 0.353 5.093 4.740 -0.000 0.000 0.289 298 N C 0.084 175.592 175.510 -0.003 0.000 1.343 298 N CA 0.136 53.184 53.050 -0.004 0.000 1.136 298 N CB -0.797 37.688 38.487 -0.004 0.000 1.402 298 N HN 0.042 nan 8.380 nan 0.000 0.516 299 G N 0.861 109.659 108.800 -0.003 0.000 2.916 299 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.533 299 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.533 299 G C -0.240 174.658 174.900 -0.003 0.000 1.516 299 G CA -0.273 44.825 45.100 -0.003 0.000 0.944 299 G HN 0.650 nan 8.290 nan 0.000 0.555 300 E N -0.615 119.583 120.200 -0.003 0.000 2.416 300 E HA 0.530 4.880 4.350 -0.000 0.000 0.254 300 E C 0.846 177.445 176.600 -0.002 0.000 1.241 300 E CA 0.490 56.888 56.400 -0.003 0.000 0.969 300 E CB 0.197 29.895 29.700 -0.004 0.000 0.999 300 E HN 1.030 nan 8.360 nan 0.000 0.481 301 M N 0.530 120.129 119.600 -0.002 0.000 2.426 301 M HA 0.412 4.892 4.480 -0.000 0.000 0.289 301 M C -1.270 175.030 176.300 -0.000 0.000 1.168 301 M CA -0.847 54.452 55.300 -0.001 0.000 0.933 301 M CB 1.804 34.405 32.600 0.000 0.000 1.750 301 M HN 0.317 nan 8.290 nan 0.000 0.494 302 R N 2.419 122.919 120.500 0.000 0.000 2.589 302 R HA 0.898 5.238 4.340 -0.000 0.000 0.293 302 R C -1.830 174.472 176.300 0.004 0.000 0.963 302 R CA -0.723 55.377 56.100 0.001 0.000 0.905 302 R CB 1.841 32.140 30.300 -0.000 0.000 1.144 302 R HN 0.966 nan 8.270 nan 0.000 0.459 303 I N 2.645 123.219 120.570 0.005 0.000 2.534 303 I HA 0.252 4.422 4.170 -0.000 0.000 0.286 303 I C -1.069 175.056 176.117 0.013 0.000 1.094 303 I CA -0.558 60.748 61.300 0.010 0.000 1.055 303 I CB 1.879 39.886 38.000 0.012 0.000 1.225 303 I HN 0.737 nan 8.210 nan 0.000 0.435 304 E N 5.152 125.361 120.200 0.015 0.000 2.290 304 E HA 0.341 4.691 4.350 -0.000 0.000 0.277 304 E C -0.596 176.023 176.600 0.033 0.000 1.035 304 E CA 0.151 56.563 56.400 0.020 0.000 0.873 304 E CB 1.295 31.006 29.700 0.017 0.000 1.029 304 E HN 0.533 nan 8.360 nan 0.000 0.419 305 T N 1.521 116.101 114.554 0.044 0.000 3.047 305 T HA 0.076 4.426 4.350 -0.000 0.000 0.340 305 T C -1.050 173.711 174.700 0.101 0.000 1.421 305 T CA -0.881 61.263 62.100 0.074 0.000 1.090 305 T CB 0.957 69.869 68.868 0.073 0.000 1.292 305 T HN 0.476 nan 8.240 nan 0.000 0.480 306 D N 2.591 123.087 120.400 0.160 0.000 2.388 306 D HA 0.227 4.867 4.640 -0.000 0.000 0.221 306 D C -0.078 176.464 176.300 0.403 0.000 1.133 306 D CA -0.166 53.959 54.000 0.208 0.000 0.831 306 D CB -0.118 40.801 40.800 0.199 0.000 0.962 306 D HN 0.283 nan 8.370 nan 0.000 0.502 307 F N 0.582 120.614 119.950 0.137 0.000 2.588 307 F HA 0.483 5.010 4.527 -0.000 0.000 0.318 307 F C -1.941 173.904 175.800 0.076 0.000 1.155 307 F CA -0.971 57.123 58.000 0.156 0.000 0.967 307 F CB 1.789 40.797 39.000 0.014 0.000 1.236 307 F HN -0.238 nan 8.300 nan 0.000 0.455 308 V N 6.628 126.251 119.914 -0.484 0.000 2.709 308 V HA 0.488 4.608 4.120 -0.000 0.000 0.308 308 V C -1.430 174.376 176.094 -0.479 0.000 1.062 308 V CA -0.894 61.174 62.300 -0.386 0.000 0.901 308 V CB 2.038 33.763 31.823 -0.163 0.000 1.003 308 V HN 0.629 nan 8.190 nan 0.000 0.425 309 F N 5.236 124.924 119.950 -0.437 0.000 2.493 309 F HA 0.710 5.237 4.527 -0.000 0.000 0.329 309 F C -0.788 174.981 175.800 -0.053 0.000 1.126 309 F CA -0.688 57.185 58.000 -0.211 0.000 0.937 309 F CB 1.313 40.291 39.000 -0.035 0.000 1.146 309 F HN 0.329 nan 8.300 nan 0.000 0.442 310 L N 5.914 126.669 121.223 -0.780 0.000 2.276 310 L HA 0.525 4.865 4.340 -0.000 0.000 0.286 310 L C 0.621 177.145 176.870 -0.576 0.000 1.061 310 L CA -0.597 53.956 54.840 -0.479 0.000 0.807 310 L CB 1.334 43.180 42.059 -0.355 0.000 1.177 310 L HN 0.934 nan 8.230 nan 0.000 0.429 311 G N 4.972 113.725 108.800 -0.078 0.000 5.001 311 G HA2 0.487 4.447 3.960 -0.000 0.000 0.304 311 G HA3 0.487 4.447 3.960 -0.000 0.000 0.304 311 G C -0.275 174.658 174.900 0.054 0.000 1.400 311 G CA -0.281 44.887 45.100 0.113 0.000 1.029 311 G HN 0.338 nan 8.290 nan 0.000 0.584 312 L N 0.619 121.838 121.223 -0.006 0.000 2.416 312 L HA 0.641 4.981 4.340 -0.000 0.000 0.262 312 L C 1.396 178.276 176.870 0.017 0.000 1.093 312 L CA -1.022 53.820 54.840 0.003 0.000 0.801 312 L CB 1.016 43.063 42.059 -0.019 0.000 1.191 312 L HN 0.307 nan 8.230 nan 0.000 0.459 313 G N 0.305 109.114 108.800 0.015 0.000 2.630 313 G HA2 0.103 4.063 3.960 -0.000 0.000 0.236 313 G HA3 0.103 4.063 3.960 -0.000 0.000 0.236 313 G C -0.358 174.555 174.900 0.022 0.000 1.248 313 G CA -0.248 44.862 45.100 0.016 0.000 0.844 313 G HN 0.636 nan 8.290 nan 0.000 0.588 314 E N -0.186 120.029 120.200 0.025 0.000 2.354 314 E HA 0.228 4.578 4.350 -0.000 0.000 0.269 314 E C -0.175 176.441 176.600 0.027 0.000 1.036 314 E CA -0.181 56.244 56.400 0.042 0.000 0.876 314 E CB 0.627 30.353 29.700 0.044 0.000 1.009 314 E HN 0.238 nan 8.360 nan 0.000 0.416 315 Q N 4.471 124.288 119.800 0.029 0.000 2.347 315 Q HA 0.348 4.688 4.340 -0.000 0.000 0.262 315 Q C -2.283 173.727 176.000 0.016 0.000 0.980 315 Q CA -2.693 53.119 55.803 0.015 0.000 0.867 315 Q CB 0.973 29.716 28.738 0.008 0.000 1.242 315 Q HN 0.372 nan 8.270 nan 0.000 0.453 316 P HA -0.047 nan 4.420 nan 0.000 0.260 316 P C -0.198 177.105 177.300 0.005 0.000 1.172 316 P CA 0.341 63.446 63.100 0.009 0.000 0.760 316 P CB 0.413 32.116 31.700 0.004 0.000 0.773 317 R N 2.251 122.753 120.500 0.004 0.000 4.556 317 R HA 0.062 4.402 4.340 -0.000 0.000 0.197 317 R C 1.158 177.454 176.300 -0.007 0.000 1.791 317 R CA 0.136 56.233 56.100 -0.005 0.000 1.526 317 R CB -0.473 29.820 30.300 -0.013 0.000 1.410 317 R HN 0.564 nan 8.270 nan 0.000 0.826 318 S N -0.269 115.427 115.700 -0.006 0.000 2.427 318 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 318 S C 2.183 176.777 174.600 -0.010 0.000 1.047 318 S CA 0.320 58.516 58.200 -0.007 0.000 0.953 318 S CB 0.075 63.272 63.200 -0.005 0.000 0.824 318 S HN 0.416 nan 8.310 nan 0.000 0.502 319 A N 2.542 125.356 122.820 -0.010 0.000 1.879 319 A HA -0.386 3.934 4.320 -0.000 0.000 0.234 319 A C 2.122 179.699 177.584 -0.012 0.000 1.742 319 A CA 2.543 54.574 52.037 -0.012 0.000 0.775 319 A CB -1.636 17.356 19.000 -0.013 0.000 0.849 319 A HN 0.708 nan 8.150 nan 0.000 0.487 320 E N -0.737 119.455 120.200 -0.014 0.000 2.110 320 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 320 E C 2.048 178.640 176.600 -0.013 0.000 0.988 320 E CA 1.279 57.671 56.400 -0.014 0.000 0.804 320 E CB -0.192 29.499 29.700 -0.016 0.000 0.745 320 E HN 0.663 nan 8.360 nan 0.000 0.458 321 L N 0.004 121.219 121.223 -0.013 0.000 2.109 321 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 321 L C 2.432 179.293 176.870 -0.015 0.000 1.086 321 L CA 0.871 55.703 54.840 -0.014 0.000 0.760 321 L CB -0.240 41.811 42.059 -0.014 0.000 0.910 321 L HN 0.118 nan 8.230 nan 0.000 0.437 322 A N -0.493 122.318 122.820 -0.014 0.000 2.239 322 A HA -0.156 4.164 4.320 -0.000 0.000 0.209 322 A C 2.294 179.869 177.584 -0.014 0.000 1.171 322 A CA 1.187 53.215 52.037 -0.015 0.000 0.768 322 A CB -0.319 18.674 19.000 -0.013 0.000 0.790 322 A HN 0.355 nan 8.150 nan 0.000 0.478 323 K N -0.445 119.947 120.400 -0.013 0.000 2.244 323 K HA 0.204 4.524 4.320 -0.000 0.000 0.200 323 K C 1.512 178.106 176.600 -0.010 0.000 1.052 323 K CA 0.484 56.765 56.287 -0.011 0.000 0.980 323 K CB -0.069 32.426 32.500 -0.010 0.000 0.838 323 K HN 0.430 nan 8.250 nan 0.000 0.481 324 I N 1.170 121.733 120.570 -0.011 0.000 2.277 324 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 324 I C 1.551 177.660 176.117 -0.014 0.000 1.094 324 I CA 0.648 61.943 61.300 -0.010 0.000 1.393 324 I CB 0.052 38.047 38.000 -0.007 0.000 1.078 324 I HN 0.149 nan 8.210 nan 0.000 0.417 325 L N 0.298 121.509 121.223 -0.020 0.000 2.477 325 L HA 0.241 4.581 4.340 -0.000 0.000 0.220 325 L C 1.191 178.044 176.870 -0.027 0.000 1.106 325 L CA 0.812 55.634 54.840 -0.029 0.000 0.851 325 L CB -1.408 40.627 42.059 -0.040 0.000 0.994 325 L HN 0.458 nan 8.230 nan 0.000 0.462 326 G N 1.637 110.425 108.800 -0.021 0.000 2.353 326 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.294 326 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.294 326 G C -0.016 174.870 174.900 -0.023 0.000 1.077 326 G CA 0.004 45.092 45.100 -0.019 0.000 1.098 326 G HN 0.273 nan 8.290 nan 0.000 0.511 327 L N -0.056 121.153 121.223 -0.023 0.000 2.399 327 L HA 0.522 4.862 4.340 -0.000 0.000 0.266 327 L C 0.360 177.219 176.870 -0.020 0.000 1.114 327 L CA -1.224 53.601 54.840 -0.026 0.000 0.804 327 L CB 0.616 42.660 42.059 -0.026 0.000 1.146 327 L HN 0.034 nan 8.230 nan 0.000 0.451 328 D N 1.792 122.180 120.400 -0.020 0.000 2.341 328 D HA 0.568 5.208 4.640 -0.000 0.000 0.245 328 D C -0.207 176.085 176.300 -0.013 0.000 1.106 328 D CA 0.107 54.098 54.000 -0.015 0.000 0.905 328 D CB 1.235 42.026 40.800 -0.015 0.000 1.202 328 D HN 0.233 nan 8.370 nan 0.000 0.426 329 L N 0.162 121.379 121.223 -0.010 0.000 2.257 329 L HA 0.722 5.062 4.340 -0.000 0.000 0.257 329 L C 0.801 177.667 176.870 -0.006 0.000 1.033 329 L CA -1.144 53.691 54.840 -0.008 0.000 0.835 329 L CB 1.946 44.001 42.059 -0.008 0.000 1.398 329 L HN 0.363 nan 8.230 nan 0.000 0.429 330 G N -0.666 108.131 108.800 -0.005 0.000 2.552 330 G HA2 0.509 4.469 3.960 -0.000 0.000 0.324 330 G HA3 0.509 4.469 3.960 -0.000 0.000 0.324 330 G C -2.114 172.784 174.900 -0.003 0.000 1.217 330 G CA -1.055 44.043 45.100 -0.004 0.000 0.989 330 G HN 0.449 nan 8.290 nan 0.000 0.490 331 P HA -0.022 nan 4.420 nan 0.000 0.242 331 P C 0.436 177.735 177.300 -0.001 0.000 1.198 331 P CA 1.014 64.113 63.100 -0.002 0.000 0.756 331 P CB 0.311 32.011 31.700 -0.001 0.000 0.911 332 K N -0.967 119.433 120.400 -0.001 0.000 2.520 332 K HA 0.334 4.654 4.320 -0.000 0.000 0.206 332 K C 0.983 177.582 176.600 -0.002 0.000 1.122 332 K CA 0.544 56.830 56.287 -0.001 0.000 1.045 332 K CB 0.231 32.732 32.500 0.001 0.000 0.932 332 K HN 0.035 nan 8.250 nan 0.000 0.571 333 G N 1.823 110.621 108.800 -0.003 0.000 2.157 333 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 333 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 333 G C -0.487 174.411 174.900 -0.003 0.000 0.979 333 G CA 0.427 45.525 45.100 -0.003 0.000 0.650 333 G HN 0.454 nan 8.290 nan 0.000 0.529 334 E N 1.176 121.375 120.200 -0.002 0.000 2.290 334 E HA 0.419 4.769 4.350 -0.000 0.000 0.277 334 E C 0.317 176.916 176.600 -0.002 0.000 1.035 334 E CA -0.648 55.751 56.400 -0.002 0.000 0.873 334 E CB 1.840 31.539 29.700 -0.002 0.000 1.029 334 E HN 0.279 nan 8.360 nan 0.000 0.419 335 V N 5.063 124.977 119.914 -0.001 0.000 2.493 335 V HA -0.038 4.081 4.120 -0.000 0.000 0.292 335 V C 0.911 177.004 176.094 -0.002 0.000 1.016 335 V CA 0.022 62.320 62.300 -0.002 0.000 1.097 335 V CB -0.216 31.607 31.823 0.001 0.000 0.947 335 V HN 0.569 nan 8.190 nan 0.000 0.479 336 L N 6.529 127.748 121.223 -0.007 0.000 2.416 336 L HA 0.469 4.809 4.340 -0.000 0.000 0.272 336 L C -0.020 176.845 176.870 -0.007 0.000 1.161 336 L CA 0.100 54.936 54.840 -0.007 0.000 0.845 336 L CB 1.062 43.115 42.059 -0.010 0.000 1.119 336 L HN 0.661 nan 8.230 nan 0.000 0.464 337 V N -0.463 119.451 119.914 -0.001 0.000 2.971 337 V HA 0.552 4.672 4.120 -0.000 0.000 0.309 337 V C -0.523 175.574 176.094 0.005 0.000 1.130 337 V CA -1.128 61.177 62.300 0.007 0.000 0.964 337 V CB 1.770 33.615 31.823 0.038 0.000 1.029 337 V HN 0.816 nan 8.190 nan 0.000 0.427 338 N N 1.729 120.439 118.700 0.016 0.000 2.443 338 N HA 0.182 4.922 4.740 -0.000 0.000 0.294 338 N C 0.794 176.273 175.510 -0.053 0.000 1.289 338 N CA 0.082 53.132 53.050 -0.000 0.000 0.966 338 N CB -0.012 38.509 38.487 0.056 0.000 1.122 338 N HN 0.923 nan 8.380 nan 0.000 0.569 339 E N -1.862 118.220 120.200 -0.196 0.000 2.515 339 E HA -0.152 4.198 4.350 -0.000 0.000 0.201 339 E C -0.206 176.099 176.600 -0.492 0.000 1.071 339 E CA 0.946 57.118 56.400 -0.379 0.000 0.880 339 E CB -0.611 28.757 29.700 -0.554 0.000 0.828 339 E HN 0.597 nan 8.360 nan 0.000 0.540 340 Y N 0.321 120.679 120.300 0.096 0.000 2.696 340 Y HA 0.256 4.806 4.550 -0.000 0.000 0.260 340 Y C 0.195 176.242 175.900 0.246 0.000 1.165 340 Y CA -0.880 57.314 58.100 0.157 0.000 1.189 340 Y CB 0.777 39.319 38.460 0.137 0.000 1.180 340 Y HN -0.089 nan 8.280 nan 0.000 0.538 341 L N -0.022 121.366 121.223 0.275 0.000 3.976 341 L HA -0.338 4.002 4.340 -0.000 0.000 0.418 341 L C -0.160 176.856 176.870 0.244 0.000 1.177 341 L CA 1.060 56.074 54.840 0.289 0.000 0.968 341 L CB -2.323 39.960 42.059 0.374 0.000 1.933 341 L HN 0.501 nan 8.230 nan 0.000 0.976 342 Q N 0.015 119.858 119.800 0.072 0.000 2.278 342 Q HA 0.457 4.797 4.340 -0.000 0.000 0.257 342 Q C 1.020 176.941 176.000 -0.132 0.000 0.928 342 Q CA 0.104 55.771 55.803 -0.228 0.000 0.932 342 Q CB 1.522 30.154 28.738 -0.177 0.000 1.221 342 Q HN 0.441 nan 8.270 nan 0.000 0.434 343 T N -1.789 112.657 114.554 -0.181 0.000 2.824 343 T HA 0.105 4.455 4.350 -0.000 0.000 0.277 343 T C 1.449 176.093 174.700 -0.095 0.000 0.975 343 T CA -0.173 61.867 62.100 -0.100 0.000 0.966 343 T CB 0.994 69.809 68.868 -0.087 0.000 1.054 343 T HN 0.631 nan 8.240 nan 0.000 0.533 344 S N -0.482 115.181 115.700 -0.061 0.000 2.400 344 S HA -0.047 4.423 4.470 -0.000 0.000 0.232 344 S C 0.887 175.450 174.600 -0.062 0.000 1.025 344 S CA 0.377 58.547 58.200 -0.050 0.000 0.993 344 S CB -0.819 62.361 63.200 -0.034 0.000 0.808 344 S HN 0.612 nan 8.310 nan 0.000 0.478 345 V N 5.227 125.095 119.914 -0.077 0.000 2.498 345 V HA 0.345 4.465 4.120 -0.000 0.000 0.279 345 V C -1.925 174.096 176.094 -0.122 0.000 1.048 345 V CA -2.145 60.105 62.300 -0.084 0.000 0.967 345 V CB 0.907 32.681 31.823 -0.083 0.000 0.988 345 V HN 0.326 nan 8.190 nan 0.000 0.473 346 P HA 0.166 nan 4.420 nan 0.000 0.274 346 P C -0.004 177.219 177.300 -0.128 0.000 1.231 346 P CA -0.039 62.994 63.100 -0.113 0.000 0.790 346 P CB 0.505 32.176 31.700 -0.049 0.000 0.951 347 N N -1.642 116.989 118.700 -0.116 0.000 2.828 347 N HA -0.107 4.633 4.740 -0.000 0.000 0.248 347 N C -0.706 174.784 175.510 -0.033 0.000 1.044 347 N CA 0.769 53.815 53.050 -0.005 0.000 0.851 347 N CB -1.561 36.929 38.487 0.004 0.000 1.136 347 N HN 0.255 nan 8.380 nan 0.000 0.572 348 V N 1.503 121.297 119.914 -0.201 0.000 2.483 348 V HA 0.486 4.606 4.120 -0.000 0.000 0.297 348 V C -0.446 175.497 176.094 -0.252 0.000 1.027 348 V CA -0.658 61.567 62.300 -0.125 0.000 0.855 348 V CB 1.303 33.055 31.823 -0.119 0.000 0.995 348 V HN 0.043 nan 8.190 nan 0.000 0.424 349 Y N 2.252 122.518 120.300 -0.056 0.000 2.509 349 Y HA 0.844 5.394 4.550 -0.000 0.000 0.341 349 Y C 0.371 176.252 175.900 -0.031 0.000 1.038 349 Y CA -0.935 57.149 58.100 -0.026 0.000 1.089 349 Y CB 2.100 40.547 38.460 -0.021 0.000 1.241 349 Y HN 0.705 nan 8.280 nan 0.000 0.468 350 A N 0.926 123.833 122.820 0.146 0.000 2.365 350 A HA 0.759 5.079 4.320 -0.000 0.000 0.318 350 A C 0.064 177.715 177.584 0.112 0.000 1.091 350 A CA -0.103 51.987 52.037 0.089 0.000 0.763 350 A CB 1.144 20.173 19.000 0.047 0.000 1.248 350 A HN 1.006 nan 8.150 nan 0.000 0.442 351 V N -0.234 119.734 119.914 0.091 0.000 3.180 351 V HA 0.415 4.535 4.120 -0.000 0.000 0.246 351 V C 1.150 177.277 176.094 0.056 0.000 1.545 351 V CA 0.992 63.348 62.300 0.093 0.000 1.138 351 V CB -1.004 30.885 31.823 0.109 0.000 0.978 351 V HN 1.181 nan 8.190 nan 0.000 0.437 352 G N 1.015 109.844 108.800 0.048 0.000 2.394 352 G HA2 0.064 4.024 3.960 -0.000 0.000 0.256 352 G HA3 0.064 4.024 3.960 -0.000 0.000 0.256 352 G C 0.438 175.339 174.900 0.001 0.000 1.504 352 G CA 0.848 45.963 45.100 0.026 0.000 1.051 352 G HN 0.354 nan 8.290 nan 0.000 0.550 353 D N -0.716 119.683 120.400 -0.001 0.000 2.348 353 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 353 D C 2.335 178.633 176.300 -0.002 0.000 0.970 353 D CA -0.011 53.980 54.000 -0.015 0.000 0.889 353 D CB -0.039 40.760 40.800 -0.002 0.000 0.912 353 D HN 0.123 nan 8.370 nan 0.000 0.524 354 L N 0.626 121.856 121.223 0.011 0.000 2.263 354 L HA -0.119 4.221 4.340 -0.000 0.000 0.216 354 L C 1.602 178.478 176.870 0.009 0.000 1.111 354 L CA 1.344 56.191 54.840 0.013 0.000 0.773 354 L CB -0.182 41.889 42.059 0.020 0.000 0.906 354 L HN 0.034 nan 8.230 nan 0.000 0.439 355 I N -0.910 119.665 120.570 0.007 0.000 3.861 355 I HA 0.271 4.441 4.170 -0.000 0.000 0.329 355 I C 1.300 177.413 176.117 -0.007 0.000 1.321 355 I CA 0.241 61.544 61.300 0.005 0.000 1.126 355 I CB -0.978 37.032 38.000 0.015 0.000 1.018 355 I HN 0.392 nan 8.210 nan 0.000 0.407 356 G N 1.073 109.866 108.800 -0.011 0.000 2.584 356 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.229 356 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.229 356 G C 0.231 175.112 174.900 -0.032 0.000 1.320 356 G CA -0.513 44.578 45.100 -0.015 0.000 0.891 356 G HN 0.492 nan 8.290 nan 0.000 0.573 357 G N 1.214 110.001 108.800 -0.021 0.000 2.527 357 G HA2 0.616 4.576 3.960 -0.000 0.000 0.248 357 G HA3 0.616 4.576 3.960 -0.000 0.000 0.248 357 G C -1.524 173.349 174.900 -0.046 0.000 1.231 357 G CA 0.239 45.321 45.100 -0.031 0.000 0.838 357 G HN 0.736 nan 8.290 nan 0.000 0.570 358 P HA 0.213 nan 4.420 nan 0.000 0.284 358 P C -0.294 176.853 177.300 -0.254 0.000 1.253 358 P CA -0.302 62.678 63.100 -0.200 0.000 0.800 358 P CB 1.274 32.696 31.700 -0.464 0.000 0.961 359 M N 2.490 121.981 119.600 -0.182 0.000 3.512 359 M HA 0.194 4.674 4.480 -0.000 0.000 0.231 359 M C 0.226 176.403 176.300 -0.204 0.000 1.345 359 M CA 0.127 55.328 55.300 -0.164 0.000 1.504 359 M CB 0.104 32.653 32.600 -0.085 0.000 1.074 359 M HN 0.238 nan 8.290 nan 0.000 0.615 360 E N 0.596 120.583 120.200 -0.355 0.000 2.339 360 E HA 0.407 4.757 4.350 -0.000 0.000 0.262 360 E C 0.641 177.027 176.600 -0.356 0.000 0.934 360 E CA -0.689 55.496 56.400 -0.357 0.000 0.802 360 E CB 1.492 30.869 29.700 -0.537 0.000 1.275 360 E HN 0.331 nan 8.360 nan 0.000 0.427 361 M N 0.354 119.838 119.600 -0.192 0.000 2.099 361 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 361 M C 2.213 178.405 176.300 -0.180 0.000 1.067 361 M CA 1.532 56.757 55.300 -0.124 0.000 1.124 361 M CB -1.063 31.531 32.600 -0.011 0.000 1.353 361 M HN 0.566 nan 8.290 nan 0.000 0.410 362 F N 1.008 120.882 119.950 -0.125 0.000 2.095 362 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 362 F C 2.268 177.942 175.800 -0.209 0.000 1.104 362 F CA 1.543 59.431 58.000 -0.188 0.000 1.232 362 F CB -1.253 37.667 39.000 -0.133 0.000 0.987 362 F HN 0.036 nan 8.300 nan 0.000 0.475 363 K N 1.001 120.876 120.400 -0.874 0.000 2.026 363 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 363 K C 2.367 178.837 176.600 -0.218 0.000 1.048 363 K CA 1.375 57.429 56.287 -0.389 0.000 0.929 363 K CB -0.667 31.510 32.500 -0.538 0.000 0.713 363 K HN 0.402 nan 8.250 nan 0.000 0.439 364 A N 1.861 124.528 122.820 -0.255 0.000 1.892 364 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 364 A C 2.147 179.609 177.584 -0.205 0.000 1.188 364 A CA 1.643 53.586 52.037 -0.157 0.000 0.631 364 A CB -0.544 18.387 19.000 -0.115 0.000 0.822 364 A HN 0.344 nan 8.150 nan 0.000 0.447 365 R N -0.558 119.744 120.500 -0.330 0.000 2.081 365 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 365 R C 2.273 178.116 176.300 -0.761 0.000 1.131 365 R CA 1.577 57.287 56.100 -0.650 0.000 0.960 365 R CB -0.307 29.465 30.300 -0.879 0.000 0.856 365 R HN 0.531 nan 8.270 nan 0.000 0.436 366 K N 0.402 120.413 120.400 -0.648 0.000 2.007 366 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 366 K C 2.389 178.461 176.600 -0.881 0.000 1.047 366 K CA 1.668 57.375 56.287 -0.967 0.000 0.937 366 K CB -0.076 31.792 32.500 -1.053 0.000 0.718 366 K HN 0.155 nan 8.250 nan 0.000 0.438 367 S N 0.453 115.902 115.700 -0.417 0.000 2.370 367 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 367 S C 2.268 176.857 174.600 -0.019 0.000 1.033 367 S CA 1.333 59.509 58.200 -0.040 0.000 1.011 367 S CB -1.050 62.236 63.200 0.143 0.000 0.852 367 S HN 0.395 nan 8.310 nan 0.000 0.457 368 G N 0.260 109.030 108.800 -0.050 0.000 2.422 368 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 368 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 368 G C 1.740 176.692 174.900 0.086 0.000 1.146 368 G CA 0.878 46.026 45.100 0.081 0.000 0.769 368 G HN 0.641 nan 8.290 nan 0.000 0.547 369 C N -0.492 118.756 119.300 -0.086 0.000 2.508 369 C HA 0.090 4.550 4.460 -0.000 0.000 0.280 369 C C 2.467 177.367 174.990 -0.151 0.000 1.262 369 C CA 0.919 59.843 59.018 -0.157 0.000 1.706 369 C CB -1.133 26.393 27.740 -0.357 0.000 2.078 369 C HN 0.572 nan 8.230 nan 0.000 0.480 370 Y N 1.156 121.340 120.300 -0.194 0.000 2.193 370 Y HA -0.233 4.317 4.550 -0.000 0.000 0.285 370 Y C 2.744 178.622 175.900 -0.036 0.000 1.166 370 Y CA 0.893 58.918 58.100 -0.125 0.000 1.181 370 Y CB -0.442 37.962 38.460 -0.093 0.000 0.976 370 Y HN 0.473 nan 8.280 nan 0.000 0.520 371 A N 0.509 123.412 122.820 0.138 0.000 1.845 371 A HA -0.214 4.106 4.320 -0.000 0.000 0.215 371 A C 2.443 179.933 177.584 -0.158 0.000 1.195 371 A CA 1.832 53.863 52.037 -0.010 0.000 0.616 371 A CB -1.296 17.698 19.000 -0.010 0.000 0.832 371 A HN 0.428 nan 8.150 nan 0.000 0.443 372 A N -0.332 122.484 122.820 -0.007 0.000 1.948 372 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 372 A C 2.242 179.869 177.584 0.072 0.000 1.177 372 A CA 1.912 53.998 52.037 0.082 0.000 0.636 372 A CB -0.510 18.664 19.000 0.290 0.000 0.815 372 A HN 0.585 nan 8.150 nan 0.000 0.449 373 R N -0.546 120.003 120.500 0.082 0.000 2.073 373 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 373 R C 1.960 178.305 176.300 0.076 0.000 1.134 373 R CA 1.399 57.570 56.100 0.118 0.000 0.952 373 R CB -0.348 30.018 30.300 0.109 0.000 0.850 373 R HN 0.529 nan 8.270 nan 0.000 0.433 374 N N 0.502 119.231 118.700 0.048 0.000 2.120 374 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 374 N C 1.880 177.399 175.510 0.014 0.000 1.024 374 N CA 1.595 54.679 53.050 0.057 0.000 0.852 374 N CB -0.352 38.225 38.487 0.149 0.000 1.003 374 N HN 0.199 nan 8.380 nan 0.000 0.424 375 V N -0.877 118.973 119.914 -0.107 0.000 2.913 375 V HA -0.019 4.101 4.120 -0.000 0.000 0.260 375 V C 1.435 177.542 176.094 0.022 0.000 1.098 375 V CA 1.152 63.412 62.300 -0.067 0.000 1.121 375 V CB -0.390 31.323 31.823 -0.184 0.000 0.714 375 V HN 0.080 nan 8.190 nan 0.000 0.487 376 M N 0.796 120.419 119.600 0.039 0.000 2.505 376 M HA 0.412 4.892 4.480 -0.000 0.000 0.230 376 M C 1.665 177.997 176.300 0.053 0.000 1.153 376 M CA 0.665 56.001 55.300 0.059 0.000 0.997 376 M CB -0.755 31.895 32.600 0.083 0.000 1.606 376 M HN 0.746 nan 8.290 nan 0.000 0.481 377 G N 0.225 109.053 108.800 0.047 0.000 2.213 377 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.226 377 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.226 377 G C 0.091 175.011 174.900 0.033 0.000 0.992 377 G CA -0.292 44.830 45.100 0.037 0.000 0.632 377 G HN 0.472 nan 8.290 nan 0.000 0.511 378 E N 0.580 120.809 120.200 0.049 0.000 2.383 378 E HA 0.367 4.717 4.350 -0.000 0.000 0.264 378 E C 0.152 176.778 176.600 0.043 0.000 1.050 378 E CA -0.151 56.281 56.400 0.052 0.000 0.896 378 E CB 0.519 30.264 29.700 0.076 0.000 0.982 378 E HN 0.033 nan 8.360 nan 0.000 0.424 379 K N 2.407 122.831 120.400 0.041 0.000 3.095 379 K HA 0.222 4.542 4.320 -0.000 0.000 0.220 379 K C -0.508 176.219 176.600 0.213 0.000 1.216 379 K CA -0.453 55.854 56.287 0.033 0.000 1.167 379 K CB -0.180 32.307 32.500 -0.022 0.000 1.199 379 K HN 0.315 nan 8.250 nan 0.000 0.458 380 I N 1.734 122.414 120.570 0.184 0.000 2.496 380 I HA -0.054 4.116 4.170 -0.000 0.000 0.285 380 I C 0.803 177.028 176.117 0.180 0.000 1.080 380 I CA 0.268 61.628 61.300 0.101 0.000 1.404 380 I CB 0.919 38.880 38.000 -0.064 0.000 1.403 380 I HN 0.146 nan 8.210 nan 0.000 0.539 381 S N 6.375 122.078 115.700 0.004 0.000 2.509 381 S HA 0.658 5.128 4.470 -0.000 0.000 0.297 381 S C -0.974 173.579 174.600 -0.079 0.000 1.118 381 S CA -0.659 57.438 58.200 -0.171 0.000 1.074 381 S CB 1.456 64.478 63.200 -0.297 0.000 1.038 381 S HN 0.452 nan 8.310 nan 0.000 0.498 382 Y N 1.784 121.990 120.300 -0.157 0.000 2.354 382 Y HA 0.541 5.091 4.550 -0.000 0.000 0.330 382 Y C -0.874 175.041 175.900 0.026 0.000 1.011 382 Y CA -0.783 57.304 58.100 -0.021 0.000 1.099 382 Y CB 1.921 40.523 38.460 0.237 0.000 1.179 382 Y HN 0.968 nan 8.280 nan 0.000 0.442 383 T N 5.268 119.547 114.554 -0.459 0.000 3.198 383 T HA 0.338 4.688 4.350 -0.000 0.000 0.352 383 T C -3.155 171.300 174.700 -0.408 0.000 1.197 383 T CA -1.732 60.099 62.100 -0.449 0.000 1.427 383 T CB 0.893 69.645 68.868 -0.192 0.000 0.983 383 T HN 0.484 nan 8.240 nan 0.000 0.560 384 P HA 0.100 nan 4.420 nan 0.000 0.256 384 P C -0.601 176.840 177.300 0.235 0.000 1.173 384 P CA 0.389 63.465 63.100 -0.040 0.000 0.768 384 P CB 0.133 31.839 31.700 0.010 0.000 0.758 385 K N 1.629 122.197 120.400 0.281 0.000 2.572 385 K HA 0.334 4.654 4.320 -0.000 0.000 0.263 385 K C -0.833 175.757 176.600 -0.017 0.000 0.932 385 K CA -1.017 55.323 56.287 0.089 0.000 0.838 385 K CB 0.863 33.375 32.500 0.020 0.000 1.366 385 K HN 0.136 nan 8.250 nan 0.000 0.425 386 N N 1.190 119.732 118.700 -0.262 0.000 2.688 386 N HA -0.175 4.565 4.740 -0.000 0.000 0.261 386 N C -1.675 173.741 175.510 -0.156 0.000 1.116 386 N CA 1.286 54.205 53.050 -0.219 0.000 0.689 386 N CB -1.278 37.156 38.487 -0.088 0.000 0.882 386 N HN 0.678 nan 8.380 nan 0.000 0.554 387 Y N -1.563 118.744 120.300 0.012 0.000 2.512 387 Y HA 0.810 5.360 4.550 -0.000 0.000 0.348 387 Y C -2.519 173.358 175.900 -0.038 0.000 0.990 387 Y CA -2.688 55.371 58.100 -0.068 0.000 1.033 387 Y CB 0.668 39.094 38.460 -0.057 0.000 1.259 387 Y HN -0.051 nan 8.280 nan 0.000 0.461 388 P HA 0.243 nan 4.420 nan 0.000 0.274 388 P C -1.059 176.317 177.300 0.126 0.000 1.231 388 P CA 0.255 63.403 63.100 0.081 0.000 0.790 388 P CB 1.847 33.576 31.700 0.048 0.000 0.951 389 D N 0.377 120.703 120.400 -0.124 0.000 2.592 389 D HA 0.718 5.358 4.640 -0.000 0.000 0.263 389 D C -1.084 174.922 176.300 -0.490 0.000 1.132 389 D CA -0.189 53.652 54.000 -0.266 0.000 0.996 389 D CB 1.976 42.525 40.800 -0.419 0.000 1.442 389 D HN 0.415 nan 8.370 nan 0.000 0.486 390 F N -0.339 119.323 119.950 -0.481 0.000 2.769 390 F HA 0.610 5.137 4.527 -0.000 0.000 0.313 390 F C -2.461 173.302 175.800 -0.061 0.000 1.146 390 F CA -1.170 56.656 58.000 -0.290 0.000 0.934 390 F CB 0.465 39.299 39.000 -0.277 0.000 1.283 390 F HN 0.246 nan 8.300 nan 0.000 0.443 391 L N 0.200 121.311 121.223 -0.186 0.000 2.582 391 L HA 0.686 5.026 4.340 -0.000 0.000 0.257 391 L C -1.613 175.170 176.870 -0.145 0.000 0.974 391 L CA -0.755 53.907 54.840 -0.298 0.000 0.851 391 L CB 1.733 43.756 42.059 -0.060 0.000 1.424 391 L HN 0.815 nan 8.230 nan 0.000 0.412 392 H N -0.054 119.062 119.070 0.078 0.000 2.570 392 H HA 0.891 5.447 4.556 -0.000 0.000 0.342 392 H C -0.304 175.027 175.328 0.004 0.000 1.245 392 H CA 0.243 56.333 56.048 0.070 0.000 1.318 392 H CB 2.062 31.849 29.762 0.041 0.000 1.694 392 H HN 1.026 nan 8.280 nan 0.000 0.592 393 T N -2.849 111.775 114.554 0.116 0.000 2.600 393 T HA 0.074 4.424 4.350 -0.000 0.000 0.201 393 T C 0.455 175.025 174.700 -0.217 0.000 0.897 393 T CA -0.433 61.612 62.100 -0.091 0.000 1.337 393 T CB 0.538 69.403 68.868 -0.004 0.000 1.978 393 T HN 0.606 nan 8.240 nan 0.000 0.425 394 H N -0.643 118.405 119.070 -0.037 0.000 2.586 394 H HA 0.533 5.089 4.556 -0.000 0.000 0.273 394 H C -0.596 174.618 175.328 -0.191 0.000 0.997 394 H CA -0.144 55.821 56.048 -0.138 0.000 1.177 394 H CB 0.276 29.862 29.762 -0.293 0.000 1.471 394 H HN 0.323 nan 8.280 nan 0.000 0.538 395 Y N 0.251 120.591 120.300 0.066 0.000 2.630 395 Y HA 0.304 4.854 4.550 -0.000 0.000 0.337 395 Y C -0.020 175.833 175.900 -0.078 0.000 1.051 395 Y CA -1.323 56.669 58.100 -0.179 0.000 1.121 395 Y CB 1.702 40.066 38.460 -0.159 0.000 1.299 395 Y HN -0.043 nan 8.280 nan 0.000 0.498 396 E N 1.175 121.367 120.200 -0.013 0.000 2.156 396 E HA 0.426 4.776 4.350 -0.000 0.000 0.279 396 E C -1.468 175.205 176.600 0.121 0.000 0.965 396 E CA -0.582 55.896 56.400 0.131 0.000 0.789 396 E CB 1.755 31.524 29.700 0.115 0.000 1.098 396 E HN 0.208 nan 8.360 nan 0.000 0.397 397 V N 2.992 123.002 119.914 0.160 0.000 2.326 397 V HA 0.234 4.354 4.120 -0.000 0.000 0.281 397 V C -0.329 175.920 176.094 0.258 0.000 1.015 397 V CA -0.600 61.837 62.300 0.228 0.000 0.823 397 V CB 1.306 33.281 31.823 0.253 0.000 1.009 397 V HN 0.548 nan 8.190 nan 0.000 0.436 398 S N 5.683 121.414 115.700 0.052 0.000 2.454 398 S HA 0.900 5.370 4.470 -0.000 0.000 0.306 398 S C -0.648 173.811 174.600 -0.235 0.000 1.100 398 S CA -0.457 57.489 58.200 -0.423 0.000 1.087 398 S CB 0.999 63.483 63.200 -1.195 0.000 1.019 398 S HN 0.629 nan 8.310 nan 0.000 0.480 399 F N 1.408 121.331 119.950 -0.046 0.000 2.631 399 F HA 0.886 5.413 4.527 -0.000 0.000 0.308 399 F C -1.341 174.640 175.800 0.302 0.000 1.097 399 F CA -1.502 56.650 58.000 0.254 0.000 0.952 399 F CB 0.990 40.186 39.000 0.326 0.000 1.307 399 F HN 0.428 nan 8.300 nan 0.000 0.450 400 L N -0.113 121.261 121.223 0.252 0.000 2.582 400 L HA 1.018 5.358 4.340 -0.000 0.000 0.257 400 L C -0.083 176.767 176.870 -0.034 0.000 0.974 400 L CA -0.158 54.731 54.840 0.082 0.000 0.851 400 L CB 1.346 43.429 42.059 0.040 0.000 1.424 400 L HN 1.792 nan 8.230 nan 0.000 0.412 401 G N 0.745 109.521 108.800 -0.040 0.000 2.641 401 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.254 401 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.254 401 G C -0.107 174.808 174.900 0.025 0.000 1.315 401 G CA 0.105 45.171 45.100 -0.057 0.000 0.907 401 G HN 0.987 nan 8.290 nan 0.000 0.572 402 M N 1.211 120.813 119.600 0.004 0.000 2.248 402 M HA 0.439 4.919 4.480 -0.000 0.000 0.337 402 M C 1.361 177.801 176.300 0.233 0.000 1.121 402 M CA 0.693 56.031 55.300 0.063 0.000 1.155 402 M CB 0.452 33.032 32.600 -0.034 0.000 1.514 402 M HN 0.920 nan 8.290 nan 0.000 0.452 403 G N 0.661 109.584 108.800 0.205 0.000 2.522 403 G HA2 0.186 4.146 3.960 -0.000 0.000 0.304 403 G HA3 0.186 4.146 3.960 -0.000 0.000 0.304 403 G C 0.371 175.303 174.900 0.054 0.000 1.210 403 G CA -0.434 44.744 45.100 0.129 0.000 0.960 403 G HN 0.915 nan 8.290 nan 0.000 0.497 404 E N -0.235 119.955 120.200 -0.016 0.000 2.005 404 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 404 E C 2.232 178.834 176.600 0.004 0.000 1.010 404 E CA 1.817 58.221 56.400 0.007 0.000 0.825 404 E CB -0.081 29.621 29.700 0.003 0.000 0.769 404 E HN 0.532 nan 8.360 nan 0.000 0.456 405 E N 0.771 120.966 120.200 -0.009 0.000 2.108 405 E HA -0.327 4.023 4.350 -0.000 0.000 0.203 405 E C 2.019 178.624 176.600 0.009 0.000 1.022 405 E CA 1.793 58.192 56.400 -0.002 0.000 0.823 405 E CB -0.725 28.967 29.700 -0.013 0.000 0.744 405 E HN 0.560 nan 8.360 nan 0.000 0.456 406 E N 1.250 121.454 120.200 0.007 0.000 2.065 406 E HA -0.242 4.108 4.350 -0.000 0.000 0.201 406 E C 2.132 178.744 176.600 0.020 0.000 1.016 406 E CA 1.617 58.026 56.400 0.015 0.000 0.818 406 E CB -0.182 29.530 29.700 0.021 0.000 0.749 406 E HN 0.257 nan 8.360 nan 0.000 0.453 407 A N 1.285 124.105 122.820 0.000 0.000 1.917 407 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 407 A C 2.202 179.833 177.584 0.079 0.000 1.182 407 A CA 1.798 53.817 52.037 -0.030 0.000 0.633 407 A CB -0.588 18.366 19.000 -0.076 0.000 0.819 407 A HN 0.242 nan 8.150 nan 0.000 0.448 408 R N -0.747 119.789 120.500 0.061 0.000 2.070 408 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 408 R C 2.488 178.832 176.300 0.074 0.000 1.138 408 R CA 1.326 57.469 56.100 0.072 0.000 0.936 408 R CB -0.716 29.609 30.300 0.042 0.000 0.839 408 R HN 0.501 nan 8.270 nan 0.000 0.429 409 A N 1.281 124.134 122.820 0.054 0.000 2.084 409 A HA -0.110 4.210 4.320 -0.000 0.000 0.221 409 A C 2.046 179.668 177.584 0.063 0.000 1.161 409 A CA 1.689 53.753 52.037 0.045 0.000 0.653 409 A CB -0.390 18.628 19.000 0.031 0.000 0.802 409 A HN 0.426 nan 8.150 nan 0.000 0.457 410 A N -2.018 120.870 122.820 0.113 0.000 2.302 410 A HA 0.437 4.757 4.320 -0.000 0.000 0.219 410 A C 1.815 179.482 177.584 0.137 0.000 1.243 410 A CA 1.044 53.178 52.037 0.162 0.000 0.856 410 A CB -0.963 18.191 19.000 0.256 0.000 0.893 410 A HN 1.808 nan 8.150 nan 0.000 0.491 411 G N -0.954 107.893 108.800 0.079 0.000 2.284 411 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.247 411 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.247 411 G C 0.228 175.109 174.900 -0.032 0.000 1.012 411 G CA 0.449 45.540 45.100 -0.015 0.000 0.618 411 G HN 0.740 nan 8.290 nan 0.000 0.521 412 H N 1.152 120.222 119.070 0.000 0.000 2.948 412 H HA 0.460 5.016 4.556 -0.000 0.000 0.351 412 H C 0.553 175.882 175.328 0.001 0.000 1.079 412 H CA 0.830 56.878 56.048 -0.001 0.000 1.407 412 H CB 0.667 30.429 29.762 -0.001 0.000 1.373 412 H HN 0.351 nan 8.280 nan 0.000 0.605 413 E N 4.089 124.357 120.200 0.114 0.000 2.028 413 E HA 0.179 4.529 4.350 -0.000 0.000 0.266 413 E C -0.294 176.348 176.600 0.069 0.000 0.962 413 E CA -0.428 56.011 56.400 0.065 0.000 0.784 413 E CB 0.133 29.853 29.700 0.034 0.000 1.114 413 E HN 0.545 nan 8.360 nan 0.000 0.414 414 I N 0.954 121.561 120.570 0.062 0.000 2.970 414 I HA 0.583 4.753 4.170 -0.000 0.000 0.310 414 I C -0.171 175.962 176.117 0.025 0.000 1.010 414 I CA -0.952 60.371 61.300 0.040 0.000 1.228 414 I CB 1.378 39.395 38.000 0.027 0.000 1.433 414 I HN 0.115 nan 8.210 nan 0.000 0.573 415 V N -0.299 119.624 119.914 0.015 0.000 2.888 415 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 415 V C -0.496 175.602 176.094 0.007 0.000 1.114 415 V CA -0.345 61.962 62.300 0.012 0.000 0.940 415 V CB 1.326 33.154 31.823 0.010 0.000 1.021 415 V HN 0.982 nan 8.190 nan 0.000 0.426 416 T N 3.884 118.446 114.554 0.013 0.000 2.879 416 T HA 0.707 5.057 4.350 -0.000 0.000 0.290 416 T C -1.293 173.417 174.700 0.016 0.000 0.993 416 T CA -0.332 61.776 62.100 0.013 0.000 0.975 416 T CB 1.196 70.081 68.868 0.028 0.000 0.981 416 T HN 0.972 nan 8.240 nan 0.000 0.439 417 I N 5.605 126.182 120.570 0.011 0.000 2.377 417 I HA 0.692 4.862 4.170 -0.000 0.000 0.293 417 I C -0.470 175.676 176.117 0.048 0.000 0.987 417 I CA -0.259 61.062 61.300 0.035 0.000 1.185 417 I CB 0.820 38.850 38.000 0.049 0.000 1.341 417 I HN 0.824 nan 8.210 nan 0.000 0.455 418 K N 6.634 127.054 120.400 0.033 0.000 2.533 418 K HA 0.704 5.024 4.320 -0.000 0.000 0.284 418 K C -1.854 174.714 176.600 -0.054 0.000 1.025 418 K CA -1.054 55.214 56.287 -0.032 0.000 0.900 418 K CB 1.704 34.120 32.500 -0.139 0.000 1.519 418 K HN 0.352 nan 8.250 nan 0.000 0.432 419 M N 1.364 120.857 119.600 -0.179 0.000 2.446 419 M HA 0.412 4.892 4.480 -0.000 0.000 0.294 419 M C -2.752 173.390 176.300 -0.264 0.000 1.158 419 M CA -2.284 52.942 55.300 -0.125 0.000 0.899 419 M CB 1.825 34.426 32.600 0.001 0.000 1.687 419 M HN 0.579 nan 8.290 nan 0.000 0.455 420 P HA 0.279 nan 4.420 nan 0.000 0.274 420 P C -2.754 174.548 177.300 0.003 0.000 1.260 420 P CA -0.783 62.309 63.100 -0.013 0.000 0.793 420 P CB -0.561 31.152 31.700 0.021 0.000 1.048 421 P HA 0.227 nan 4.420 nan 0.000 0.281 421 P C -0.804 176.518 177.300 0.036 0.000 1.264 421 P CA -0.286 62.830 63.100 0.027 0.000 0.824 421 P CB 0.352 32.067 31.700 0.026 0.000 1.092 422 D N 0.594 121.016 120.400 0.037 0.000 2.363 422 D HA 0.287 4.927 4.640 -0.000 0.000 0.263 422 D C 0.520 176.839 176.300 0.032 0.000 1.258 422 D CA 1.092 55.115 54.000 0.039 0.000 0.907 422 D CB -0.162 40.659 40.800 0.036 0.000 1.107 422 D HN 0.360 nan 8.370 nan 0.000 0.495 423 T N -1.366 113.209 114.554 0.034 0.000 2.816 423 T HA 0.304 4.654 4.350 -0.000 0.000 0.299 423 T C 0.769 175.486 174.700 0.029 0.000 1.230 423 T CA -0.997 61.121 62.100 0.029 0.000 1.007 423 T CB 1.279 70.164 68.868 0.029 0.000 1.289 423 T HN 0.328 nan 8.240 nan 0.000 0.508 424 E N 0.434 120.649 120.200 0.025 0.000 2.478 424 E HA -0.037 4.313 4.350 -0.000 0.000 0.198 424 E C 0.973 177.587 176.600 0.025 0.000 1.046 424 E CA 0.760 57.174 56.400 0.023 0.000 0.870 424 E CB -0.500 29.212 29.700 0.019 0.000 0.818 424 E HN 0.678 nan 8.360 nan 0.000 0.527 425 N N 0.717 119.434 118.700 0.029 0.000 2.270 425 N HA 0.083 4.823 4.740 -0.000 0.000 0.198 425 N C 0.969 176.505 175.510 0.043 0.000 1.117 425 N CA -0.100 52.970 53.050 0.033 0.000 0.845 425 N CB 0.540 39.047 38.487 0.033 0.000 0.980 425 N HN 0.304 nan 8.380 nan 0.000 0.486 426 G N 2.224 111.051 108.800 0.045 0.000 2.684 426 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.332 426 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.332 426 G C 0.726 175.673 174.900 0.078 0.000 1.306 426 G CA 0.412 45.547 45.100 0.059 0.000 1.002 426 G HN 0.212 nan 8.290 nan 0.000 0.545 427 L N 1.313 122.600 121.223 0.106 0.000 2.313 427 L HA 0.077 4.417 4.340 -0.000 0.000 0.214 427 L C 1.370 178.329 176.870 0.148 0.000 1.119 427 L CA 0.436 55.362 54.840 0.143 0.000 0.809 427 L CB -0.404 41.789 42.059 0.223 0.000 0.933 427 L HN 0.371 nan 8.230 nan 0.000 0.449 428 N N 1.833 120.609 118.700 0.127 0.000 3.117 428 N HA 0.043 4.783 4.740 -0.000 0.000 0.323 428 N C -0.376 175.181 175.510 0.078 0.000 1.245 428 N CA 0.280 53.403 53.050 0.121 0.000 1.191 428 N CB -0.105 38.428 38.487 0.077 0.000 1.451 428 N HN 0.145 nan 8.380 nan 0.000 0.555 429 V N -3.800 116.152 119.914 0.063 0.000 3.007 429 V HA 0.691 4.811 4.120 -0.000 0.000 0.311 429 V C 0.391 176.467 176.094 -0.030 0.000 1.120 429 V CA -1.343 60.966 62.300 0.015 0.000 0.980 429 V CB 1.629 33.462 31.823 0.017 0.000 1.033 429 V HN 0.019 nan 8.190 nan 0.000 0.429 430 A N 3.590 126.340 122.820 -0.115 0.000 2.604 430 A HA 0.676 4.996 4.320 -0.000 0.000 0.248 430 A C 0.050 177.552 177.584 -0.136 0.000 1.466 430 A CA 0.189 52.072 52.037 -0.257 0.000 1.222 430 A CB -1.432 17.219 19.000 -0.582 0.000 0.945 430 A HN 0.839 nan 8.150 nan 0.000 0.600 431 L N 0.374 121.572 121.223 -0.041 0.000 2.482 431 L HA 0.434 4.774 4.340 -0.000 0.000 0.263 431 L C -2.652 174.231 176.870 0.021 0.000 0.957 431 L CA -2.047 52.800 54.840 0.010 0.000 0.836 431 L CB 3.278 45.346 42.059 0.015 0.000 1.324 431 L HN 0.076 nan 8.230 nan 0.000 0.406 432 P HA 0.531 nan 4.420 nan 0.000 0.278 432 P C -1.371 176.019 177.300 0.150 0.000 1.266 432 P CA -0.391 62.801 63.100 0.154 0.000 0.807 432 P CB 2.138 33.938 31.700 0.167 0.000 1.094 433 A N 0.226 123.188 122.820 0.236 0.000 2.606 433 A HA 0.769 5.089 4.320 -0.000 0.000 0.293 433 A C -0.570 177.102 177.584 0.147 0.000 1.082 433 A CA -0.128 52.007 52.037 0.162 0.000 0.685 433 A CB 1.102 20.174 19.000 0.121 0.000 1.284 433 A HN 0.822 nan 8.150 nan 0.000 0.408 434 S N -0.048 115.727 115.700 0.126 0.000 2.627 434 S HA 0.366 4.836 4.470 -0.000 0.000 0.270 434 S C -1.733 172.930 174.600 0.105 0.000 1.147 434 S CA -0.747 57.494 58.200 0.068 0.000 0.944 434 S CB -0.052 63.193 63.200 0.076 0.000 1.201 434 S HN 0.732 nan 8.310 nan 0.000 0.479 435 D N 1.758 122.206 120.400 0.080 0.000 2.583 435 D HA 0.159 4.799 4.640 -0.000 0.000 0.232 435 D C 0.585 176.966 176.300 0.135 0.000 1.128 435 D CA 0.681 54.731 54.000 0.084 0.000 0.859 435 D CB 0.016 40.855 40.800 0.064 0.000 1.169 435 D HN 0.603 nan 8.370 nan 0.000 0.481 436 R N 0.522 121.077 120.500 0.092 0.000 3.994 436 R HA -0.183 4.157 4.340 -0.000 0.000 0.403 436 R C 1.032 177.470 176.300 0.230 0.000 1.126 436 R CA 1.584 57.714 56.100 0.051 0.000 1.143 436 R CB -2.948 27.259 30.300 -0.156 0.000 1.695 436 R HN 0.685 nan 8.270 nan 0.000 0.555 437 T N -4.799 109.946 114.554 0.318 0.000 3.058 437 T HA 0.252 4.602 4.350 -0.000 0.000 0.278 437 T C 1.597 176.517 174.700 0.366 0.000 0.974 437 T CA -0.320 62.069 62.100 0.480 0.000 0.893 437 T CB 0.149 69.265 68.868 0.413 0.000 1.138 437 T HN -0.168 nan 8.240 nan 0.000 0.529 438 M N 1.754 121.509 119.600 0.259 0.000 2.065 438 M HA 0.150 4.630 4.480 -0.000 0.000 0.259 438 M C 2.155 178.648 176.300 0.322 0.000 1.071 438 M CA 1.315 56.788 55.300 0.288 0.000 1.109 438 M CB -1.589 31.117 32.600 0.177 0.000 1.313 438 M HN 0.280 nan 8.290 nan 0.000 0.408 439 L N -1.274 120.038 121.223 0.148 0.000 1.997 439 L HA -0.297 4.043 4.340 -0.000 0.000 0.216 439 L C 2.547 179.567 176.870 0.251 0.000 1.074 439 L CA 1.806 56.662 54.840 0.027 0.000 0.763 439 L CB -0.924 40.998 42.059 -0.228 0.000 0.890 439 L HN 0.233 nan 8.230 nan 0.000 0.434 440 Y N -0.684 119.849 120.300 0.389 0.000 2.193 440 Y HA -0.322 4.228 4.550 -0.000 0.000 0.285 440 Y C 2.576 178.602 175.900 0.210 0.000 1.166 440 Y CA 0.912 59.217 58.100 0.342 0.000 1.181 440 Y CB -0.533 38.071 38.460 0.239 0.000 0.976 440 Y HN 0.228 nan 8.280 nan 0.000 0.520 441 A N -0.557 122.445 122.820 0.303 0.000 1.930 441 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 441 A C 1.542 179.001 177.584 -0.209 0.000 1.175 441 A CA 1.397 53.442 52.037 0.012 0.000 0.627 441 A CB -0.867 18.081 19.000 -0.085 0.000 0.815 441 A HN 0.473 nan 8.150 nan 0.000 0.443 442 F N -0.193 119.845 119.950 0.148 0.000 2.695 442 F HA 0.301 4.828 4.527 -0.000 0.000 0.303 442 F C 1.690 177.581 175.800 0.150 0.000 1.091 442 F CA -0.293 57.776 58.000 0.115 0.000 1.300 442 F CB -0.135 38.898 39.000 0.055 0.000 1.071 442 F HN 0.214 nan 8.300 nan 0.000 0.578 443 G N 0.386 109.400 108.800 0.357 0.000 2.684 443 G HA2 0.136 4.096 3.960 -0.000 0.000 0.255 443 G HA3 0.136 4.096 3.960 -0.000 0.000 0.255 443 G C -0.503 174.587 174.900 0.317 0.000 1.219 443 G CA -0.514 44.842 45.100 0.426 0.000 0.901 443 G HN 0.020 nan 8.290 nan 0.000 0.548 444 K N 0.079 120.655 120.400 0.294 0.000 2.292 444 K HA 0.451 4.771 4.320 -0.000 0.000 0.290 444 K C 0.945 177.654 176.600 0.182 0.000 1.083 444 K CA 0.564 56.970 56.287 0.199 0.000 0.918 444 K CB 0.101 32.695 32.500 0.157 0.000 1.089 444 K HN 1.293 nan 8.250 nan 0.000 0.473 445 G N 3.116 112.022 108.800 0.176 0.000 2.160 445 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.251 445 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.251 445 G C 0.510 175.612 174.900 0.336 0.000 1.008 445 G CA 0.786 46.000 45.100 0.191 0.000 0.724 445 G HN 0.785 nan 8.290 nan 0.000 0.514 446 T N -3.849 110.879 114.554 0.290 0.000 3.010 446 T HA 0.604 4.954 4.350 -0.000 0.000 0.257 446 T C 2.340 177.060 174.700 0.033 0.000 1.020 446 T CA 1.268 63.464 62.100 0.158 0.000 0.938 446 T CB 0.419 69.416 68.868 0.215 0.000 1.049 446 T HN 1.321 nan 8.240 nan 0.000 0.522 447 A N 3.069 125.994 122.820 0.176 0.000 1.958 447 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 447 A C 1.978 179.619 177.584 0.095 0.000 1.178 447 A CA 2.173 54.278 52.037 0.113 0.000 0.642 447 A CB -1.395 17.660 19.000 0.093 0.000 0.816 447 A HN 0.983 nan 8.150 nan 0.000 0.453 448 H N -2.704 116.431 119.070 0.107 0.000 2.560 448 H HA 0.168 4.724 4.556 -0.000 0.000 0.283 448 H C 1.446 176.886 175.328 0.186 0.000 1.028 448 H CA 1.202 57.330 56.048 0.133 0.000 1.221 448 H CB -0.429 29.393 29.762 0.099 0.000 1.363 448 H HN 0.497 nan 8.280 nan 0.000 0.594 449 M N 0.738 120.160 119.600 -0.297 0.000 2.371 449 M HA 0.078 4.557 4.480 -0.000 0.000 0.246 449 M C 1.772 178.072 176.300 0.000 0.000 1.103 449 M CA 0.352 55.544 55.300 -0.180 0.000 1.010 449 M CB 0.486 32.836 32.600 -0.417 0.000 1.457 449 M HN 0.442 nan 8.290 nan 0.000 0.486 450 S N 0.200 115.946 115.700 0.077 0.000 2.465 450 S HA 0.127 4.597 4.470 -0.000 0.000 0.241 450 S C 1.136 175.763 174.600 0.045 0.000 1.000 450 S CA 0.603 58.876 58.200 0.122 0.000 0.964 450 S CB -0.619 62.627 63.200 0.075 0.000 0.763 450 S HN 0.642 nan 8.310 nan 0.000 0.512 451 G N 0.152 108.928 108.800 -0.040 0.000 2.371 451 G HA2 0.268 4.228 3.960 -0.000 0.000 0.663 451 G HA3 0.268 4.228 3.960 -0.000 0.000 0.663 451 G C -1.317 173.317 174.900 -0.442 0.000 1.311 451 G CA -0.566 44.388 45.100 -0.242 0.000 0.985 451 G HN 0.724 nan 8.290 nan 0.000 0.566 452 F N 0.966 120.452 119.950 -0.773 0.000 2.608 452 F HA 0.799 5.326 4.527 -0.000 0.000 0.309 452 F C -0.570 174.973 175.800 -0.427 0.000 1.103 452 F CA 0.003 57.552 58.000 -0.752 0.000 0.954 452 F CB 2.100 40.336 39.000 -1.273 0.000 1.267 452 F HN 1.053 nan 8.300 nan 0.000 0.444 453 Q N 4.830 123.993 119.800 -1.061 0.000 2.527 453 Q HA 0.474 4.814 4.340 -0.000 0.000 0.280 453 Q C -2.305 173.438 176.000 -0.428 0.000 0.977 453 Q CA -1.168 54.363 55.803 -0.454 0.000 0.837 453 Q CB 2.957 31.592 28.738 -0.171 0.000 1.454 453 Q HN 0.798 nan 8.270 nan 0.000 0.387 454 K N 1.833 122.273 120.400 0.068 0.000 2.555 454 K HA 0.667 4.987 4.320 -0.000 0.000 0.279 454 K C -1.915 174.705 176.600 0.033 0.000 0.986 454 K CA -0.819 55.509 56.287 0.068 0.000 0.880 454 K CB 2.413 34.938 32.500 0.042 0.000 1.474 454 K HN 0.778 nan 8.250 nan 0.000 0.433 455 I N 2.825 123.339 120.570 -0.093 0.000 2.571 455 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 455 I C -1.066 174.985 176.117 -0.110 0.000 1.115 455 I CA -1.006 60.118 61.300 -0.292 0.000 1.045 455 I CB 2.136 39.799 38.000 -0.562 0.000 1.238 455 I HN 0.313 nan 8.210 nan 0.000 0.424 456 V N 7.774 127.642 119.914 -0.076 0.000 2.465 456 V HA 0.485 4.605 4.120 -0.000 0.000 0.279 456 V C 0.101 176.146 176.094 -0.081 0.000 1.045 456 V CA -0.188 62.091 62.300 -0.035 0.000 0.938 456 V CB 1.403 33.233 31.823 0.012 0.000 0.986 456 V HN 0.426 nan 8.190 nan 0.000 0.467 457 I N 2.930 123.467 120.570 -0.054 0.000 2.730 457 I HA 0.407 4.577 4.170 -0.000 0.000 0.298 457 I C -0.693 175.413 176.117 -0.019 0.000 1.089 457 I CA -0.694 60.576 61.300 -0.051 0.000 1.041 457 I CB 2.409 40.383 38.000 -0.044 0.000 1.235 457 I HN 0.473 nan 8.210 nan 0.000 0.423 458 D N 4.309 124.706 120.400 -0.005 0.000 2.295 458 D HA 0.370 5.010 4.640 -0.000 0.000 0.248 458 D C -0.241 176.079 176.300 0.033 0.000 1.154 458 D CA -0.066 53.960 54.000 0.043 0.000 0.857 458 D CB 1.719 42.576 40.800 0.094 0.000 1.117 458 D HN 0.620 nan 8.370 nan 0.000 0.468 459 A N 3.929 126.770 122.820 0.035 0.000 2.454 459 A HA 0.336 4.656 4.320 -0.000 0.000 0.260 459 A C 0.016 177.614 177.584 0.023 0.000 1.106 459 A CA -0.163 51.887 52.037 0.023 0.000 0.780 459 A CB 0.075 19.088 19.000 0.021 0.000 1.044 459 A HN 0.620 nan 8.150 nan 0.000 0.498 460 K N 1.473 121.882 120.400 0.015 0.000 6.692 460 K HA -0.091 4.229 4.320 -0.000 0.000 0.775 460 K C 0.419 177.029 176.600 0.017 0.000 2.128 460 K CA 1.314 57.607 56.287 0.011 0.000 1.684 460 K CB -1.747 30.758 32.500 0.007 0.000 1.997 460 K HN 1.355 nan 8.250 nan 0.000 0.306 461 T N 0.514 115.076 114.554 0.013 0.000 5.723 461 T HA -0.188 4.162 4.350 -0.000 0.000 0.271 461 T C 0.383 175.091 174.700 0.012 0.000 2.203 461 T CA 0.666 62.775 62.100 0.016 0.000 3.766 461 T CB -0.646 68.241 68.868 0.032 0.000 0.565 461 T HN 0.677 nan 8.240 nan 0.000 0.741 462 R N 1.353 121.859 120.500 0.010 0.000 3.782 462 R HA -0.200 4.140 4.340 -0.000 0.000 0.276 462 R C -0.034 176.260 176.300 -0.010 0.000 1.178 462 R CA 1.338 57.438 56.100 0.000 0.000 0.783 462 R CB -1.329 28.970 30.300 -0.003 0.000 1.146 462 R HN 0.477 nan 8.270 nan 0.000 0.507 463 K N 0.596 120.992 120.400 -0.005 0.000 2.154 463 K HA 0.296 4.616 4.320 -0.000 0.000 0.264 463 K C 0.189 176.759 176.600 -0.050 0.000 1.008 463 K CA -0.477 55.796 56.287 -0.022 0.000 0.937 463 K CB 1.276 33.771 32.500 -0.009 0.000 1.002 463 K HN -0.174 nan 8.250 nan 0.000 0.469 464 V N 4.551 124.419 119.914 -0.077 0.000 2.408 464 V HA -0.017 4.103 4.120 -0.000 0.000 0.267 464 V C 0.839 176.854 176.094 -0.131 0.000 1.047 464 V CA -0.078 62.151 62.300 -0.119 0.000 0.937 464 V CB 0.893 32.621 31.823 -0.158 0.000 0.999 464 V HN 0.611 nan 8.190 nan 0.000 0.472 465 L N 4.395 125.534 121.223 -0.140 0.000 2.375 465 L HA 0.442 4.782 4.340 -0.000 0.000 0.215 465 L C 1.121 177.901 176.870 -0.150 0.000 1.108 465 L CA 0.835 55.578 54.840 -0.162 0.000 0.830 465 L CB -0.745 41.184 42.059 -0.218 0.000 0.959 465 L HN 0.798 nan 8.230 nan 0.000 0.457 466 G N -1.555 107.143 108.800 -0.169 0.000 2.655 466 G HA2 0.637 4.597 3.960 -0.000 0.000 0.296 466 G HA3 0.637 4.597 3.960 -0.000 0.000 0.296 466 G C -1.895 172.783 174.900 -0.371 0.000 1.485 466 G CA 0.021 44.988 45.100 -0.220 0.000 0.869 466 G HN 0.134 nan 8.290 nan 0.000 0.540 467 A N 1.700 124.205 122.820 -0.525 0.000 2.343 467 A HA 0.893 5.213 4.320 -0.000 0.000 0.316 467 A C -0.939 176.486 177.584 -0.265 0.000 1.104 467 A CA -0.728 51.021 52.037 -0.479 0.000 0.768 467 A CB 1.186 19.796 19.000 -0.650 0.000 1.213 467 A HN 0.759 nan 8.150 nan 0.000 0.456 468 H N 2.297 121.608 119.070 0.401 0.000 2.782 468 H HA 0.458 5.014 4.556 -0.000 0.000 0.347 468 H C -1.485 174.166 175.328 0.539 0.000 1.038 468 H CA -0.313 56.028 56.048 0.488 0.000 1.255 468 H CB 1.838 31.793 29.762 0.323 0.000 1.623 468 H HN 0.836 nan 8.280 nan 0.000 0.525 469 H N 2.289 121.596 119.070 0.395 0.000 2.947 469 H HA 0.327 4.883 4.556 -0.000 0.000 0.354 469 H C -1.872 173.500 175.328 0.074 0.000 1.085 469 H CA -0.494 55.670 56.048 0.194 0.000 1.253 469 H CB 1.640 31.506 29.762 0.173 0.000 1.757 469 H HN 0.351 nan 8.280 nan 0.000 0.523 470 V N 5.454 125.158 119.914 -0.350 0.000 2.378 470 V HA 0.675 4.795 4.120 -0.000 0.000 0.288 470 V C 0.655 176.371 176.094 -0.631 0.000 1.016 470 V CA 0.477 62.612 62.300 -0.275 0.000 0.840 470 V CB 0.801 32.585 31.823 -0.065 0.000 0.994 470 V HN 1.065 nan 8.190 nan 0.000 0.431 471 G N 4.142 112.722 108.800 -0.367 0.000 2.520 471 G HA2 0.285 4.245 3.960 -0.000 0.000 0.067 471 G HA3 0.285 4.245 3.960 -0.000 0.000 0.067 471 G C -1.792 172.931 174.900 -0.294 0.000 0.977 471 G CA -0.268 44.671 45.100 -0.269 0.000 1.152 471 G HN 0.429 nan 8.290 nan 0.000 0.479 472 Y N -0.748 119.771 120.300 0.364 0.000 2.558 472 Y HA 0.525 5.075 4.550 -0.000 0.000 0.333 472 Y C 0.705 176.694 175.900 0.149 0.000 1.125 472 Y CA 0.080 58.330 58.100 0.250 0.000 1.039 472 Y CB 2.110 40.703 38.460 0.220 0.000 1.331 472 Y HN 2.025 nan 8.280 nan 0.000 0.456 473 G N 0.095 109.026 108.800 0.218 0.000 2.182 473 G HA2 0.003 3.963 3.960 -0.000 0.000 0.248 473 G HA3 0.003 3.963 3.960 -0.000 0.000 0.248 473 G C 0.282 175.151 174.900 -0.052 0.000 1.042 473 G CA 0.568 45.719 45.100 0.085 0.000 0.775 473 G HN 1.367 nan 8.290 nan 0.000 0.501 474 A N -0.830 121.878 122.820 -0.187 0.000 2.009 474 A HA 0.518 4.838 4.320 -0.000 0.000 0.197 474 A C 1.908 179.368 177.584 -0.207 0.000 1.471 474 A CA 1.571 53.390 52.037 -0.363 0.000 0.973 474 A CB -0.125 18.147 19.000 -1.214 0.000 1.020 474 A HN 0.389 nan 8.150 nan 0.000 0.476 475 K N 0.477 120.712 120.400 -0.274 0.000 2.030 475 K HA -0.328 3.992 4.320 -0.000 0.000 0.222 475 K C 1.520 178.011 176.600 -0.183 0.000 1.056 475 K CA 2.499 58.591 56.287 -0.324 0.000 0.957 475 K CB -0.427 31.802 32.500 -0.452 0.000 0.727 475 K HN 0.370 nan 8.250 nan 0.000 0.452 476 D N -0.783 119.538 120.400 -0.132 0.000 2.221 476 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 476 D C 1.558 177.880 176.300 0.036 0.000 0.982 476 D CA 1.322 55.282 54.000 -0.067 0.000 0.857 476 D CB 0.017 40.823 40.800 0.010 0.000 0.934 476 D HN 0.424 nan 8.370 nan 0.000 0.475 477 A N -0.880 122.013 122.820 0.121 0.000 2.016 477 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 477 A C 1.728 179.424 177.584 0.187 0.000 1.162 477 A CA 0.446 52.613 52.037 0.217 0.000 0.662 477 A CB -0.728 18.374 19.000 0.171 0.000 0.812 477 A HN 0.240 nan 8.150 nan 0.000 0.450 478 F N 0.971 120.867 119.950 -0.090 0.000 2.365 478 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 478 F C 2.582 178.277 175.800 -0.176 0.000 1.090 478 F CA 1.353 59.291 58.000 -0.103 0.000 1.408 478 F CB -0.413 38.517 39.000 -0.117 0.000 1.060 478 F HN 0.388 nan 8.300 nan 0.000 0.534 479 Q N -1.109 118.594 119.800 -0.162 0.000 2.050 479 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 479 Q C 1.933 177.699 176.000 -0.391 0.000 0.980 479 Q CA 2.170 57.732 55.803 -0.403 0.000 0.840 479 Q CB -0.642 27.636 28.738 -0.767 0.000 0.898 479 Q HN 0.486 nan 8.270 nan 0.000 0.424 480 Y N 0.225 120.509 120.300 -0.027 0.000 2.269 480 Y HA -0.088 4.462 4.550 -0.000 0.000 0.294 480 Y C 2.191 178.050 175.900 -0.068 0.000 1.120 480 Y CA 0.056 58.133 58.100 -0.039 0.000 1.159 480 Y CB -0.186 38.259 38.460 -0.024 0.000 1.024 480 Y HN 0.069 nan 8.280 nan 0.000 0.532 481 L N 1.248 122.494 121.223 0.038 0.000 2.127 481 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 481 L C 1.744 178.525 176.870 -0.148 0.000 1.089 481 L CA 1.924 56.708 54.840 -0.092 0.000 0.757 481 L CB -0.990 40.916 42.059 -0.255 0.000 0.899 481 L HN 0.221 nan 8.230 nan 0.000 0.434 482 N N -1.198 117.412 118.700 -0.150 0.000 2.216 482 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 482 N C 1.714 177.174 175.510 -0.083 0.000 1.017 482 N CA 1.427 54.394 53.050 -0.138 0.000 0.861 482 N CB -0.123 38.295 38.487 -0.116 0.000 0.986 482 N HN 0.233 nan 8.380 nan 0.000 0.428 483 V N 0.955 120.841 119.914 -0.046 0.000 2.233 483 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 483 V C 2.339 178.424 176.094 -0.015 0.000 1.050 483 V CA 1.587 63.879 62.300 -0.013 0.000 1.010 483 V CB -0.670 31.174 31.823 0.035 0.000 0.637 483 V HN 0.349 nan 8.190 nan 0.000 0.444 484 L N -0.704 120.511 121.223 -0.013 0.000 2.012 484 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 484 L C 2.374 179.218 176.870 -0.044 0.000 1.073 484 L CA 1.782 56.610 54.840 -0.021 0.000 0.748 484 L CB -0.555 41.493 42.059 -0.018 0.000 0.891 484 L HN 0.272 nan 8.230 nan 0.000 0.431 485 I N -0.263 120.263 120.570 -0.074 0.000 2.315 485 I HA -0.333 3.837 4.170 -0.000 0.000 0.251 485 I C 2.408 178.486 176.117 -0.066 0.000 1.125 485 I CA 1.443 62.688 61.300 -0.091 0.000 1.392 485 I CB -0.310 37.606 38.000 -0.140 0.000 1.065 485 I HN 0.269 nan 8.210 nan 0.000 0.424 486 K N 0.379 120.747 120.400 -0.053 0.000 2.217 486 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 486 K C 1.759 178.347 176.600 -0.021 0.000 1.051 486 K CA 0.854 57.120 56.287 -0.035 0.000 0.952 486 K CB -0.033 32.451 32.500 -0.026 0.000 0.736 486 K HN 0.455 nan 8.250 nan 0.000 0.453 487 Q N -0.020 119.769 119.800 -0.018 0.000 2.444 487 Q HA 0.073 4.412 4.340 -0.000 0.000 0.206 487 Q C -0.031 175.961 176.000 -0.012 0.000 0.948 487 Q CA 0.228 56.025 55.803 -0.010 0.000 0.946 487 Q CB 0.709 29.443 28.738 -0.006 0.000 1.027 487 Q HN 0.367 nan 8.270 nan 0.000 0.513 488 G N 1.971 110.759 108.800 -0.021 0.000 2.858 488 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.266 488 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.266 488 G C -1.132 173.754 174.900 -0.024 0.000 1.023 488 G CA -0.638 44.450 45.100 -0.020 0.000 1.172 488 G HN 0.161 nan 8.290 nan 0.000 0.523 489 L N 3.589 124.790 121.223 -0.037 0.000 2.265 489 L HA 0.814 5.154 4.340 -0.000 0.000 0.289 489 L C 1.003 177.849 176.870 -0.040 0.000 1.033 489 L CA 0.146 54.962 54.840 -0.039 0.000 0.814 489 L CB 1.209 43.234 42.059 -0.056 0.000 1.203 489 L HN 0.775 nan 8.230 nan 0.000 0.423 490 T N 1.018 115.556 114.554 -0.027 0.000 2.902 490 T HA 0.208 4.558 4.350 -0.000 0.000 0.280 490 T C 1.149 175.834 174.700 -0.025 0.000 0.992 490 T CA -0.098 61.988 62.100 -0.024 0.000 1.015 490 T CB 1.445 70.305 68.868 -0.013 0.000 1.044 490 T HN 0.422 nan 8.240 nan 0.000 0.520 491 V N 0.807 120.706 119.914 -0.024 0.000 2.720 491 V HA -0.135 3.985 4.120 -0.000 0.000 0.256 491 V C 1.797 177.887 176.094 -0.007 0.000 1.082 491 V CA 2.028 64.317 62.300 -0.019 0.000 1.101 491 V CB -0.968 30.845 31.823 -0.016 0.000 0.693 491 V HN 0.890 nan 8.190 nan 0.000 0.479 492 D N -0.068 120.328 120.400 -0.006 0.000 2.091 492 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 492 D C 1.985 178.284 176.300 -0.002 0.000 0.980 492 D CA 1.816 55.815 54.000 -0.003 0.000 0.831 492 D CB -0.067 40.731 40.800 -0.003 0.000 0.987 492 D HN 0.649 nan 8.370 nan 0.000 0.460 493 E N 0.615 120.813 120.200 -0.005 0.000 2.150 493 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 493 E C 2.118 178.718 176.600 -0.000 0.000 0.985 493 E CA 0.210 56.607 56.400 -0.004 0.000 0.814 493 E CB -0.005 29.691 29.700 -0.008 0.000 0.752 493 E HN 0.081 nan 8.360 nan 0.000 0.466 494 L N 1.032 122.254 121.223 -0.002 0.000 1.994 494 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 494 L C 2.253 179.138 176.870 0.024 0.000 1.071 494 L CA 2.256 57.101 54.840 0.008 0.000 0.745 494 L CB -1.029 41.031 42.059 0.001 0.000 0.892 494 L HN 0.114 nan 8.230 nan 0.000 0.431 495 G N -1.477 107.335 108.800 0.020 0.000 2.586 495 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 495 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 495 G C 1.098 176.007 174.900 0.014 0.000 1.128 495 G CA 0.762 45.875 45.100 0.023 0.000 0.774 495 G HN 0.469 nan 8.290 nan 0.000 0.543 496 D N -0.068 120.338 120.400 0.010 0.000 2.349 496 D HA 0.139 4.779 4.640 -0.000 0.000 0.214 496 D C 1.471 177.775 176.300 0.007 0.000 1.063 496 D CA 0.017 54.021 54.000 0.005 0.000 0.847 496 D CB 0.261 41.062 40.800 0.002 0.000 0.933 496 D HN 0.330 nan 8.370 nan 0.000 0.513 497 M N 0.542 120.150 119.600 0.014 0.000 2.103 497 M HA 0.092 4.572 4.480 -0.000 0.000 0.291 497 M C 0.080 176.390 176.300 0.016 0.000 1.216 497 M CA 0.189 55.497 55.300 0.014 0.000 1.132 497 M CB 0.617 33.230 32.600 0.022 0.000 1.396 497 M HN -0.278 nan 8.290 nan 0.000 0.479 498 D N 2.297 122.706 120.400 0.015 0.000 2.412 498 D HA 0.126 4.766 4.640 -0.000 0.000 0.224 498 D C -0.193 176.126 176.300 0.032 0.000 1.093 498 D CA -0.173 53.837 54.000 0.017 0.000 0.850 498 D CB 0.653 41.459 40.800 0.010 0.000 1.046 498 D HN 0.437 nan 8.370 nan 0.000 0.507 499 E N 2.313 122.540 120.200 0.045 0.000 2.349 499 E HA 0.209 4.559 4.350 -0.000 0.000 0.262 499 E C -0.590 176.070 176.600 0.099 0.000 1.088 499 E CA -0.524 55.924 56.400 0.079 0.000 0.899 499 E CB 1.525 31.288 29.700 0.105 0.000 1.044 499 E HN 0.357 nan 8.360 nan 0.000 0.420 500 L N 2.887 124.184 121.223 0.125 0.000 2.435 500 L HA 0.306 4.646 4.340 -0.000 0.000 0.253 500 L C -0.293 176.692 176.870 0.193 0.000 1.087 500 L CA -0.847 54.069 54.840 0.126 0.000 0.950 500 L CB -0.015 42.089 42.059 0.074 0.000 1.304 500 L HN 0.425 nan 8.230 nan 0.000 0.453 501 F N 2.954 122.928 119.950 0.040 0.000 2.563 501 F HA 0.183 4.710 4.527 -0.000 0.000 0.363 501 F C 0.445 176.275 175.800 0.050 0.000 1.123 501 F CA -0.232 57.798 58.000 0.050 0.000 1.307 501 F CB 0.641 39.655 39.000 0.023 0.000 1.115 501 F HN 0.165 nan 8.300 nan 0.000 0.592 502 L N 5.777 126.802 121.223 -0.331 0.000 2.278 502 L HA 0.245 4.585 4.340 -0.000 0.000 0.287 502 L C -0.497 176.279 176.870 -0.157 0.000 1.072 502 L CA -0.946 53.409 54.840 -0.809 0.000 0.819 502 L CB 0.114 41.705 42.059 -0.779 0.000 1.176 502 L HN 0.552 nan 8.230 nan 0.000 0.435 503 N N 3.447 122.203 118.700 0.094 0.000 2.455 503 N HA 0.297 5.037 4.740 -0.000 0.000 0.280 503 N C -2.232 173.270 175.510 -0.014 0.000 1.055 503 N CA -2.377 50.738 53.050 0.108 0.000 0.961 503 N CB 0.847 39.429 38.487 0.158 0.000 1.121 503 N HN 0.143 nan 8.380 nan 0.000 0.476 504 P HA -0.184 nan 4.420 nan 0.000 0.219 504 P C -0.123 177.015 177.300 -0.271 0.000 1.153 504 P CA 1.898 64.964 63.100 -0.057 0.000 0.865 504 P CB -0.026 31.665 31.700 -0.016 0.000 0.788 505 T N -3.324 111.005 114.554 -0.374 0.000 2.779 505 T HA 0.284 4.634 4.350 -0.000 0.000 0.280 505 T C 0.191 174.534 174.700 -0.594 0.000 0.987 505 T CA -0.651 61.011 62.100 -0.730 0.000 0.966 505 T CB 0.582 68.981 68.868 -0.782 0.000 0.933 505 T HN 0.129 nan 8.240 nan 0.000 0.442 506 H N 2.806 121.625 119.070 -0.418 0.000 2.524 506 H HA 0.241 4.797 4.556 -0.000 0.000 0.299 506 H C 0.439 175.752 175.328 -0.026 0.000 1.074 506 H CA -0.985 55.004 56.048 -0.099 0.000 1.115 506 H CB -0.344 29.440 29.762 0.037 0.000 1.522 506 H HN 0.561 nan 8.280 nan 0.000 0.543 507 F N 0.901 120.922 119.950 0.118 0.000 2.102 507 F HA -0.145 4.381 4.527 -0.000 0.000 0.298 507 F C 2.346 178.174 175.800 0.047 0.000 1.105 507 F CA 0.385 58.420 58.000 0.057 0.000 1.239 507 F CB -0.983 38.020 39.000 0.005 0.000 0.991 507 F HN 0.134 nan 8.300 nan 0.000 0.474 508 I N 0.581 121.285 120.570 0.223 0.000 2.064 508 I HA -0.410 3.760 4.170 -0.000 0.000 0.234 508 I C 2.874 179.045 176.117 0.091 0.000 1.019 508 I CA 2.169 63.546 61.300 0.128 0.000 1.301 508 I CB -1.034 37.024 38.000 0.095 0.000 1.017 508 I HN 0.245 nan 8.210 nan 0.000 0.392 509 Q N 1.643 121.487 119.800 0.073 0.000 2.077 509 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 509 Q C 2.183 178.201 176.000 0.029 0.000 0.989 509 Q CA 2.001 57.814 55.803 0.016 0.000 0.853 509 Q CB -1.085 27.622 28.738 -0.051 0.000 0.907 509 Q HN 0.576 nan 8.270 nan 0.000 0.418 510 L N 1.149 122.418 121.223 0.077 0.000 2.131 510 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 510 L C 2.648 179.557 176.870 0.064 0.000 1.092 510 L CA 1.145 56.031 54.840 0.077 0.000 0.759 510 L CB -0.353 41.784 42.059 0.130 0.000 0.903 510 L HN 0.183 nan 8.230 nan 0.000 0.435 511 S N -0.382 115.363 115.700 0.075 0.000 2.357 511 S HA -0.174 4.296 4.470 -0.000 0.000 0.221 511 S C 2.045 176.660 174.600 0.025 0.000 1.031 511 S CA 1.130 59.358 58.200 0.047 0.000 0.982 511 S CB -0.215 63.015 63.200 0.049 0.000 0.853 511 S HN 0.352 nan 8.310 nan 0.000 0.458 512 R N 0.632 121.145 120.500 0.023 0.000 2.117 512 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 512 R C 2.174 178.475 176.300 0.003 0.000 1.143 512 R CA 1.293 57.398 56.100 0.008 0.000 0.968 512 R CB -0.376 29.925 30.300 0.001 0.000 0.863 512 R HN 0.311 nan 8.270 nan 0.000 0.444 513 L N 0.361 121.586 121.223 0.003 0.000 2.068 513 L HA 0.039 4.379 4.340 -0.000 0.000 0.204 513 L C 2.301 179.174 176.870 0.005 0.000 1.076 513 L CA 1.662 56.501 54.840 -0.001 0.000 0.753 513 L CB -0.448 41.609 42.059 -0.003 0.000 0.910 513 L HN 0.032 nan 8.230 nan 0.000 0.439 514 R N -0.199 120.308 120.500 0.011 0.000 2.092 514 R HA 0.061 4.401 4.340 -0.000 0.000 0.231 514 R C 2.196 178.501 176.300 0.007 0.000 1.119 514 R CA 1.298 57.404 56.100 0.011 0.000 0.970 514 R CB -0.834 29.475 30.300 0.016 0.000 0.864 514 R HN 0.462 nan 8.270 nan 0.000 0.440 515 A N -0.521 122.302 122.820 0.006 0.000 1.972 515 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 515 A C 2.267 179.852 177.584 0.002 0.000 1.169 515 A CA 1.687 53.726 52.037 0.003 0.000 0.635 515 A CB -1.152 17.850 19.000 0.003 0.000 0.810 515 A HN 0.467 nan 8.150 nan 0.000 0.446 516 G N -0.298 108.503 108.800 0.001 0.000 2.418 516 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.217 516 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.217 516 G C 1.044 175.944 174.900 0.001 0.000 1.158 516 G CA 0.846 45.946 45.100 -0.000 0.000 0.771 516 G HN 0.480 nan 8.290 nan 0.000 0.545 517 S N 0.350 116.051 115.700 0.002 0.000 2.560 517 S HA 0.110 4.580 4.470 -0.000 0.000 0.276 517 S C 1.433 176.034 174.600 0.002 0.000 1.350 517 S CA -0.307 57.895 58.200 0.002 0.000 1.024 517 S CB 1.017 64.219 63.200 0.004 0.000 0.864 517 S HN 0.206 nan 8.310 nan 0.000 0.536 518 K N 1.248 121.649 120.400 0.002 0.000 2.031 518 K HA 0.080 4.400 4.320 -0.000 0.000 0.205 518 K C 0.057 176.659 176.600 0.003 0.000 1.049 518 K CA 1.033 57.321 56.287 0.002 0.000 0.939 518 K CB -0.254 32.247 32.500 0.002 0.000 0.717 518 K HN 0.483 nan 8.250 nan 0.000 0.438 519 N N 1.266 119.968 118.700 0.004 0.000 2.407 519 N HA 0.166 4.906 4.740 -0.000 0.000 0.277 519 N C 1.080 176.593 175.510 0.006 0.000 0.995 519 N CA -0.137 52.916 53.050 0.005 0.000 0.903 519 N CB 1.986 40.477 38.487 0.005 0.000 1.218 519 N HN -0.101 nan 8.380 nan 0.000 0.487 520 L N 0.909 122.135 121.223 0.006 0.000 2.089 520 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 520 L C 0.639 177.514 176.870 0.009 0.000 1.079 520 L CA 1.013 55.857 54.840 0.007 0.000 0.758 520 L CB -0.353 41.710 42.059 0.006 0.000 0.891 520 L HN 0.326 nan 8.230 nan 0.000 0.433 521 V N -0.076 119.844 119.914 0.010 0.000 2.832 521 V HA -0.155 3.965 4.120 -0.000 0.000 0.299 521 V C 1.076 177.177 176.094 0.012 0.000 1.201 521 V CA 1.382 63.689 62.300 0.011 0.000 1.325 521 V CB 0.745 32.575 31.823 0.011 0.000 0.871 521 V HN 0.550 nan 8.190 nan 0.000 0.509 522 S N 2.643 118.352 115.700 0.014 0.000 6.541 522 S HA 0.096 4.566 4.470 -0.000 0.000 0.087 522 S C -0.189 174.422 174.600 0.018 0.000 1.262 522 S CA 0.435 58.644 58.200 0.015 0.000 1.323 522 S CB -0.746 62.463 63.200 0.014 0.000 1.739 522 S HN 0.735 nan 8.310 nan 0.000 0.531 523 L N 0.000 121.235 121.223 0.020 0.000 2.949 523 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 523 L CA 0.000 54.855 54.840 0.025 0.000 0.813 523 L CB 0.000 42.075 42.059 0.026 0.000 0.961 523 L HN 0.000 nan 8.230 nan 0.000 0.502