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 2ihv_1_A DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGMTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PMSKYAVELQ RPHEITDLVD SAVNAAMTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID TTVPNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YMDGILNFPA LQTMFAPVDL VLTVGYDYAE DLRPSMWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GMRVHQVIDS MNTVMEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQM ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE YDFQPGGFGA LSI 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 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.550 176.600 -0.083 0.000 0.988 11 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 11 K CB 0.000 32.472 32.500 -0.046 0.000 1.064 12 P HA -0.040 nan 4.420 nan 0.000 0.265 12 P C -0.202 177.060 177.300 -0.063 0.000 1.193 12 P CA 0.076 63.061 63.100 -0.190 0.000 0.765 12 P CB 0.486 31.902 31.700 -0.473 0.000 0.823 13 T N -1.717 112.838 114.554 0.002 0.000 2.893 13 T HA 0.533 4.883 4.350 -0.001 0.000 0.279 13 T C 1.388 176.127 174.700 0.065 0.000 0.991 13 T CA -0.178 61.938 62.100 0.026 0.000 0.950 13 T CB 0.737 69.614 68.868 0.014 0.000 1.223 13 T HN 0.278 nan 8.240 nan 0.000 0.585 14 A N 0.095 122.948 122.820 0.055 0.000 2.024 14 A HA 0.171 4.490 4.320 -0.001 0.000 0.220 14 A C 2.572 180.192 177.584 0.061 0.000 1.164 14 A CA 1.898 53.973 52.037 0.063 0.000 0.643 14 A CB -1.629 17.399 19.000 0.048 0.000 0.806 14 A HN 1.209 nan 8.150 nan 0.000 0.451 15 A N -0.773 122.069 122.820 0.036 0.000 1.908 15 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 15 A C 2.004 179.582 177.584 -0.010 0.000 1.181 15 A CA 2.144 54.170 52.037 -0.017 0.000 0.627 15 A CB -0.882 18.062 19.000 -0.093 0.000 0.818 15 A HN 0.800 nan 8.150 nan 0.000 0.445 16 H N -0.499 118.543 119.070 -0.048 0.000 2.326 16 H HA 0.072 4.628 4.556 -0.001 0.000 0.301 16 H C 2.204 177.531 175.328 -0.001 0.000 1.081 16 H CA 1.918 57.948 56.048 -0.031 0.000 1.334 16 H CB -0.172 29.575 29.762 -0.024 0.000 1.385 16 H HN 0.404 nan 8.280 nan 0.000 0.504 17 A N 0.522 123.444 122.820 0.171 0.000 1.933 17 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 17 A C 2.334 179.954 177.584 0.059 0.000 1.175 17 A CA 1.492 53.605 52.037 0.127 0.000 0.628 17 A CB -0.805 18.269 19.000 0.123 0.000 0.814 17 A HN 0.505 nan 8.150 nan 0.000 0.444 18 L N -0.238 121.018 121.223 0.055 0.000 2.005 18 L HA -0.076 4.263 4.340 -0.001 0.000 0.207 18 L C 2.263 179.168 176.870 0.059 0.000 1.072 18 L CA 1.793 56.676 54.840 0.071 0.000 0.744 18 L CB -0.624 41.500 42.059 0.108 0.000 0.895 18 L HN 0.370 nan 8.230 nan 0.000 0.433 19 L N -0.657 120.572 121.223 0.009 0.000 2.079 19 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 19 L C 2.784 179.627 176.870 -0.045 0.000 1.081 19 L CA 1.581 56.416 54.840 -0.008 0.000 0.752 19 L CB -0.782 41.234 42.059 -0.072 0.000 0.896 19 L HN 0.527 nan 8.230 nan 0.000 0.433 20 S N -0.173 115.457 115.700 -0.117 0.000 2.368 20 S HA -0.225 4.245 4.470 -0.001 0.000 0.224 20 S C 2.204 176.794 174.600 -0.017 0.000 1.029 20 S CA 1.197 59.335 58.200 -0.104 0.000 0.988 20 S CB -0.101 63.009 63.200 -0.150 0.000 0.838 20 S HN 0.240 nan 8.310 nan 0.000 0.462 21 R N 1.022 121.536 120.500 0.024 0.000 2.090 21 R HA 0.238 4.578 4.340 -0.001 0.000 0.228 21 R C 2.214 178.594 176.300 0.133 0.000 1.110 21 R CA 1.275 57.414 56.100 0.065 0.000 0.973 21 R CB -1.108 29.249 30.300 0.095 0.000 0.869 21 R HN 0.536 nan 8.270 nan 0.000 0.440 22 L N -0.006 121.293 121.223 0.125 0.000 2.042 22 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 22 L C 2.654 179.589 176.870 0.108 0.000 1.076 22 L CA 1.413 56.339 54.840 0.143 0.000 0.749 22 L CB -0.459 41.673 42.059 0.123 0.000 0.893 22 L HN 0.157 nan 8.230 nan 0.000 0.432 23 R N 0.267 120.797 120.500 0.050 0.000 2.091 23 R HA -0.173 4.167 4.340 -0.001 0.000 0.238 23 R C 1.834 178.136 176.300 0.002 0.000 1.136 23 R CA 1.735 57.847 56.100 0.021 0.000 0.959 23 R CB -0.595 29.700 30.300 -0.008 0.000 0.856 23 R HN 0.395 nan 8.270 nan 0.000 0.437 24 D N -0.456 119.924 120.400 -0.034 0.000 2.228 24 D HA -0.155 4.484 4.640 -0.001 0.000 0.203 24 D C 1.342 177.525 176.300 -0.196 0.000 0.988 24 D CA 1.131 55.058 54.000 -0.123 0.000 0.864 24 D CB -0.251 40.435 40.800 -0.189 0.000 0.928 24 D HN 0.365 nan 8.370 nan 0.000 0.469 25 H N -0.913 118.164 119.070 0.011 0.000 2.536 25 H HA 0.258 4.813 4.556 -0.001 0.000 0.276 25 H C 1.486 176.823 175.328 0.015 0.000 1.019 25 H CA 0.764 56.819 56.048 0.012 0.000 1.159 25 H CB 0.490 30.258 29.762 0.011 0.000 1.373 25 H HN 0.205 nan 8.280 nan 0.000 0.584 26 G N 0.786 109.635 108.800 0.081 0.000 2.176 26 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.253 26 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.253 26 G C 0.360 175.296 174.900 0.060 0.000 0.979 26 G CA 0.324 45.459 45.100 0.058 0.000 0.641 26 G HN 0.229 nan 8.290 nan 0.000 0.530 27 V N 0.608 120.567 119.914 0.076 0.000 2.572 27 V HA 0.525 4.644 4.120 -0.001 0.000 0.291 27 V C 1.555 177.670 176.094 0.036 0.000 1.039 27 V CA 1.280 63.619 62.300 0.065 0.000 1.055 27 V CB 1.355 33.230 31.823 0.085 0.000 0.969 27 V HN 0.693 nan 8.190 nan 0.000 0.482 28 G N 4.282 113.091 108.800 0.016 0.000 2.945 28 G HA2 0.196 4.155 3.960 -0.001 0.000 0.225 28 G HA3 0.196 4.155 3.960 -0.001 0.000 0.225 28 G C 0.374 175.236 174.900 -0.065 0.000 1.046 28 G CA -0.142 44.950 45.100 -0.014 0.000 0.842 28 G HN 0.489 nan 8.290 nan 0.000 0.543 29 K N 0.726 121.070 120.400 -0.093 0.000 2.427 29 K HA 0.614 4.934 4.320 -0.001 0.000 0.252 29 K C -1.512 174.939 176.600 -0.249 0.000 0.931 29 K CA -0.607 55.517 56.287 -0.273 0.000 0.793 29 K CB 3.020 35.244 32.500 -0.459 0.000 1.211 29 K HN -0.112 nan 8.250 nan 0.000 0.426 30 V N 3.743 123.431 119.914 -0.377 0.000 2.378 30 V HA 0.412 4.531 4.120 -0.001 0.000 0.288 30 V C -0.712 174.952 176.094 -0.717 0.000 1.016 30 V CA -0.825 61.298 62.300 -0.295 0.000 0.840 30 V CB 0.541 32.305 31.823 -0.098 0.000 0.994 30 V HN 0.511 nan 8.190 nan 0.000 0.431 31 F N 3.155 122.876 119.950 -0.381 0.000 2.394 31 F HA 0.854 5.381 4.527 -0.001 0.000 0.340 31 F C 1.011 176.568 175.800 -0.405 0.000 1.105 31 F CA 0.494 58.213 58.000 -0.469 0.000 1.124 31 F CB 1.732 40.583 39.000 -0.249 0.000 1.145 31 F HN 0.726 nan 8.300 nan 0.000 0.505 32 G N 0.791 109.394 108.800 -0.329 0.000 2.360 32 G HA2 0.421 4.380 3.960 -0.001 0.000 0.276 32 G HA3 0.421 4.380 3.960 -0.001 0.000 0.276 32 G C -2.314 172.776 174.900 0.317 0.000 1.256 32 G CA -0.764 44.402 45.100 0.110 0.000 0.890 32 G HN 0.475 nan 8.290 nan 0.000 0.486 33 V N 0.424 120.604 119.914 0.442 0.000 2.577 33 V HA 0.598 4.718 4.120 -0.001 0.000 0.303 33 V C -0.003 176.322 176.094 0.385 0.000 1.042 33 V CA -0.696 61.812 62.300 0.347 0.000 0.872 33 V CB 1.403 33.336 31.823 0.183 0.000 0.998 33 V HN 0.762 nan 8.190 nan 0.000 0.423 34 V N 3.944 123.973 119.914 0.192 0.000 2.509 34 V HA 0.775 4.894 4.120 -0.001 0.000 0.284 34 V C 0.913 177.100 176.094 0.154 0.000 1.047 34 V CA 0.347 62.740 62.300 0.155 0.000 0.952 34 V CB 1.223 32.952 31.823 -0.156 0.000 0.988 34 V HN 0.966 nan 8.190 nan 0.000 0.469 35 G N 3.440 112.370 108.800 0.215 0.000 2.940 35 G HA2 0.307 4.267 3.960 -0.001 0.000 0.164 35 G HA3 0.307 4.267 3.960 -0.001 0.000 0.164 35 G C 0.795 175.766 174.900 0.120 0.000 1.326 35 G CA -0.218 44.968 45.100 0.143 0.000 1.020 35 G HN 0.748 nan 8.290 nan 0.000 0.586 36 R N 0.076 120.637 120.500 0.103 0.000 2.285 36 R HA 0.005 4.344 4.340 -0.001 0.000 0.213 36 R C 1.590 177.940 176.300 0.082 0.000 1.068 36 R CA 1.679 57.826 56.100 0.079 0.000 1.004 36 R CB -0.197 30.146 30.300 0.071 0.000 0.873 36 R HN 0.521 nan 8.270 nan 0.000 0.467 37 E N 1.543 121.819 120.200 0.127 0.000 2.472 37 E HA -0.118 4.231 4.350 -0.001 0.000 0.200 37 E C 1.489 178.139 176.600 0.084 0.000 1.046 37 E CA 1.028 57.512 56.400 0.139 0.000 0.871 37 E CB -0.053 29.801 29.700 0.257 0.000 0.806 37 E HN 0.473 nan 8.360 nan 0.000 0.533 38 A N 1.687 124.541 122.820 0.057 0.000 2.084 38 A HA -0.047 4.272 4.320 -0.001 0.000 0.221 38 A C 2.461 180.023 177.584 -0.036 0.000 1.161 38 A CA 1.836 53.863 52.037 -0.017 0.000 0.653 38 A CB -0.614 18.378 19.000 -0.012 0.000 0.802 38 A HN 0.436 nan 8.150 nan 0.000 0.457 39 A N -1.150 121.666 122.820 -0.006 0.000 2.015 39 A HA 0.019 4.339 4.320 -0.001 0.000 0.219 39 A C 2.281 179.852 177.584 -0.022 0.000 1.163 39 A CA 1.927 53.958 52.037 -0.010 0.000 0.646 39 A CB -0.365 18.641 19.000 0.009 0.000 0.806 39 A HN 0.442 nan 8.150 nan 0.000 0.448 40 S N -1.887 113.799 115.700 -0.024 0.000 2.497 40 S HA 0.366 4.835 4.470 -0.001 0.000 0.221 40 S C 0.351 174.888 174.600 -0.105 0.000 1.037 40 S CA 0.028 58.207 58.200 -0.035 0.000 0.920 40 S CB 0.141 63.344 63.200 0.006 0.000 0.800 40 S HN 0.496 nan 8.310 nan 0.000 0.505 41 I N 1.115 121.571 120.570 -0.191 0.000 2.512 41 I HA 0.337 4.507 4.170 -0.001 0.000 0.287 41 I C -0.036 175.781 176.117 -0.499 0.000 1.069 41 I CA -0.503 60.538 61.300 -0.432 0.000 1.056 41 I CB 1.313 38.892 38.000 -0.702 0.000 1.229 41 I HN 0.049 nan 8.210 nan 0.000 0.429 42 L N 6.918 127.903 121.223 -0.396 0.000 2.202 42 L HA 0.193 4.532 4.340 -0.001 0.000 0.205 42 L C 0.323 177.095 176.870 -0.164 0.000 1.083 42 L CA 0.858 55.557 54.840 -0.234 0.000 0.790 42 L CB 0.044 42.028 42.059 -0.124 0.000 0.942 42 L HN 0.838 nan 8.230 nan 0.000 0.452 43 F N -0.590 119.227 119.950 -0.222 0.000 2.536 43 F HA -0.210 4.317 4.527 -0.001 0.000 0.299 43 F C 0.713 176.446 175.800 -0.112 0.000 0.654 43 F CA 0.600 58.479 58.000 -0.201 0.000 1.632 43 F CB -1.802 37.029 39.000 -0.282 0.000 2.021 43 F HN 0.346 nan 8.300 nan 0.000 0.311 44 D N -0.799 119.605 120.400 0.007 0.000 2.440 44 D HA 0.175 4.814 4.640 -0.001 0.000 0.216 44 D C 1.273 177.568 176.300 -0.009 0.000 1.150 44 D CA 0.302 54.307 54.000 0.008 0.000 0.832 44 D CB 0.005 40.806 40.800 0.002 0.000 0.992 44 D HN 0.281 nan 8.370 nan 0.000 0.502 45 E N -0.135 120.043 120.200 -0.036 0.000 2.150 45 E HA 0.038 4.388 4.350 -0.001 0.000 0.193 45 E C 0.142 176.727 176.600 -0.025 0.000 0.985 45 E CA 0.736 57.132 56.400 -0.007 0.000 0.814 45 E CB 0.358 30.041 29.700 -0.028 0.000 0.752 45 E HN 0.135 nan 8.360 nan 0.000 0.466 46 V N 1.075 120.945 119.914 -0.074 0.000 2.577 46 V HA 0.140 4.260 4.120 -0.001 0.000 0.303 46 V C -0.385 175.687 176.094 -0.036 0.000 1.042 46 V CA -1.025 61.216 62.300 -0.099 0.000 0.872 46 V CB 1.816 33.526 31.823 -0.189 0.000 0.998 46 V HN 0.029 nan 8.190 nan 0.000 0.423 47 E N 2.902 123.091 120.200 -0.018 0.000 2.376 47 E HA 0.414 4.763 4.350 -0.001 0.000 0.266 47 E C 1.134 177.727 176.600 -0.011 0.000 1.009 47 E CA 1.090 57.486 56.400 -0.007 0.000 0.902 47 E CB 0.636 30.336 29.700 0.001 0.000 0.972 47 E HN 1.067 nan 8.360 nan 0.000 0.439 48 G N 4.046 112.841 108.800 -0.008 0.000 2.201 48 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.212 48 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.212 48 G C 0.017 174.910 174.900 -0.011 0.000 0.994 48 G CA 0.013 45.107 45.100 -0.009 0.000 0.644 48 G HN 0.583 nan 8.290 nan 0.000 0.508 49 I N 1.962 122.527 120.570 -0.008 0.000 2.418 49 I HA 0.519 4.688 4.170 -0.001 0.000 0.287 49 I C -1.425 174.692 176.117 -0.000 0.000 1.008 49 I CA -0.924 60.373 61.300 -0.005 0.000 1.104 49 I CB 1.158 39.167 38.000 0.015 0.000 1.264 49 I HN -0.012 nan 8.210 nan 0.000 0.438 50 D N 7.273 127.645 120.400 -0.046 0.000 2.350 50 D HA 0.236 4.875 4.640 -0.001 0.000 0.245 50 D C -0.956 175.266 176.300 -0.129 0.000 1.036 50 D CA -0.183 53.784 54.000 -0.056 0.000 0.848 50 D CB 2.437 43.187 40.800 -0.085 0.000 1.307 50 D HN 0.283 nan 8.370 nan 0.000 0.469 51 F N 1.528 121.327 119.950 -0.252 0.000 2.427 51 F HA 0.234 4.760 4.527 -0.001 0.000 0.352 51 F C -0.272 175.314 175.800 -0.357 0.000 1.100 51 F CA -0.346 57.405 58.000 -0.415 0.000 1.191 51 F CB 0.874 39.525 39.000 -0.582 0.000 1.128 51 F HN -0.014 nan 8.300 nan 0.000 0.533 52 V N 8.033 127.327 119.914 -1.034 0.000 2.313 52 V HA 0.217 4.336 4.120 -0.001 0.000 0.278 52 V C -0.486 175.235 176.094 -0.622 0.000 1.017 52 V CA -0.839 61.044 62.300 -0.695 0.000 0.823 52 V CB 0.965 32.303 31.823 -0.808 0.000 1.010 52 V HN 0.600 nan 8.190 nan 0.000 0.443 53 L N 6.647 127.776 121.223 -0.157 0.000 2.319 53 L HA 0.616 4.955 4.340 -0.001 0.000 0.280 53 L C 0.698 177.594 176.870 0.043 0.000 1.099 53 L CA 0.882 55.773 54.840 0.086 0.000 0.828 53 L CB 1.233 43.421 42.059 0.216 0.000 1.150 53 L HN 0.865 nan 8.230 nan 0.000 0.442 54 T N 1.844 116.440 114.554 0.071 0.000 2.938 54 T HA 0.537 4.886 4.350 -0.001 0.000 0.285 54 T C 0.959 175.714 174.700 0.091 0.000 1.028 54 T CA -0.841 61.303 62.100 0.073 0.000 1.005 54 T CB 1.270 70.182 68.868 0.073 0.000 1.157 54 T HN 0.506 nan 8.240 nan 0.000 0.550 55 R N -0.248 120.306 120.500 0.090 0.000 2.246 55 R HA 0.213 4.552 4.340 -0.001 0.000 0.199 55 R C 0.550 176.943 176.300 0.155 0.000 0.984 55 R CA 0.546 56.705 56.100 0.098 0.000 1.015 55 R CB -0.675 29.668 30.300 0.072 0.000 0.930 55 R HN 0.787 nan 8.270 nan 0.000 0.475 56 H N -0.429 118.678 119.070 0.061 0.000 2.996 56 H HA 0.158 4.713 4.556 -0.001 0.000 0.368 56 H C -0.208 175.183 175.328 0.106 0.000 1.185 56 H CA -0.268 55.830 56.048 0.083 0.000 1.160 56 H CB 1.974 31.788 29.762 0.087 0.000 1.820 56 H HN -0.226 nan 8.280 nan 0.000 0.547 57 E N 2.667 122.811 120.200 -0.095 0.000 2.204 57 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 57 E C 1.528 178.255 176.600 0.211 0.000 0.989 57 E CA 0.987 57.423 56.400 0.060 0.000 0.824 57 E CB -0.052 29.645 29.700 -0.006 0.000 0.756 57 E HN 0.454 nan 8.360 nan 0.000 0.477 58 F N 1.458 121.601 119.950 0.322 0.000 2.095 58 F HA -0.258 4.268 4.527 -0.001 0.000 0.298 58 F C 2.015 177.864 175.800 0.082 0.000 1.104 58 F CA 1.823 59.952 58.000 0.215 0.000 1.232 58 F CB -0.767 38.364 39.000 0.219 0.000 0.987 58 F HN -0.077 nan 8.300 nan 0.000 0.475 59 T N 0.955 115.485 114.554 -0.040 0.000 2.699 59 T HA -0.251 4.098 4.350 -0.001 0.000 0.268 59 T C 2.222 176.775 174.700 -0.246 0.000 1.036 59 T CA 1.730 63.697 62.100 -0.221 0.000 1.147 59 T CB -1.017 67.830 68.868 -0.035 0.000 0.862 59 T HN 0.418 nan 8.240 nan 0.000 0.446 60 A N 1.357 124.121 122.820 -0.094 0.000 1.908 60 A HA 0.082 4.402 4.320 -0.001 0.000 0.218 60 A C 2.656 180.132 177.584 -0.180 0.000 1.181 60 A CA 1.946 53.943 52.037 -0.066 0.000 0.627 60 A CB -1.380 17.660 19.000 0.065 0.000 0.818 60 A HN 0.528 nan 8.150 nan 0.000 0.445 61 G N -0.799 107.910 108.800 -0.152 0.000 2.402 61 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.216 61 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.216 61 G C 1.487 176.222 174.900 -0.276 0.000 1.162 61 G CA 1.215 46.224 45.100 -0.151 0.000 0.777 61 G HN 0.327 nan 8.290 nan 0.000 0.539 62 V N 1.472 121.123 119.914 -0.438 0.000 2.379 62 V HA -0.055 4.064 4.120 -0.001 0.000 0.245 62 V C 3.295 179.086 176.094 -0.506 0.000 1.044 62 V CA 1.818 63.827 62.300 -0.485 0.000 1.036 62 V CB -0.720 30.666 31.823 -0.729 0.000 0.664 62 V HN 0.454 nan 8.190 nan 0.000 0.453 63 A N 0.127 122.584 122.820 -0.606 0.000 1.933 63 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 63 A C 2.406 179.471 177.584 -0.865 0.000 1.175 63 A CA 2.084 53.660 52.037 -0.768 0.000 0.628 63 A CB -0.682 17.724 19.000 -0.991 0.000 0.814 63 A HN 0.556 nan 8.150 nan 0.000 0.444 64 A N 0.006 122.347 122.820 -0.798 0.000 1.898 64 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 64 A C 1.968 179.400 177.584 -0.252 0.000 1.181 64 A CA 1.772 53.535 52.037 -0.456 0.000 0.620 64 A CB -0.610 18.277 19.000 -0.187 0.000 0.819 64 A HN 0.647 nan 8.150 nan 0.000 0.442 65 D N 0.152 120.412 120.400 -0.232 0.000 2.104 65 D HA -0.147 4.492 4.640 -0.001 0.000 0.194 65 D C 1.904 178.100 176.300 -0.174 0.000 0.994 65 D CA 2.047 55.953 54.000 -0.157 0.000 0.830 65 D CB -0.077 40.651 40.800 -0.119 0.000 0.959 65 D HN 0.212 nan 8.370 nan 0.000 0.452 66 V N 0.989 120.765 119.914 -0.231 0.000 2.358 66 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 66 V C 2.686 178.669 176.094 -0.184 0.000 1.047 66 V CA 1.119 63.286 62.300 -0.222 0.000 1.035 66 V CB -0.568 31.097 31.823 -0.263 0.000 0.658 66 V HN 0.212 nan 8.190 nan 0.000 0.452 67 L N 0.969 122.081 121.223 -0.184 0.000 2.042 67 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 67 L C 2.472 179.308 176.870 -0.057 0.000 1.076 67 L CA 2.414 57.197 54.840 -0.095 0.000 0.749 67 L CB -1.008 41.015 42.059 -0.059 0.000 0.893 67 L HN 0.249 nan 8.230 nan 0.000 0.432 68 A N -0.542 122.235 122.820 -0.071 0.000 1.902 68 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 68 A C 2.524 180.076 177.584 -0.053 0.000 1.181 68 A CA 1.838 53.849 52.037 -0.043 0.000 0.623 68 A CB -0.647 18.327 19.000 -0.043 0.000 0.818 68 A HN 0.520 nan 8.150 nan 0.000 0.443 69 R N -0.241 120.187 120.500 -0.120 0.000 2.073 69 R HA -0.086 4.254 4.340 -0.001 0.000 0.234 69 R C 1.886 178.115 176.300 -0.118 0.000 1.134 69 R CA 1.962 57.941 56.100 -0.201 0.000 0.952 69 R CB -0.397 29.651 30.300 -0.420 0.000 0.850 69 R HN 0.535 nan 8.270 nan 0.000 0.433 70 I N 0.341 120.862 120.570 -0.080 0.000 2.286 70 I HA -0.193 3.976 4.170 -0.001 0.000 0.245 70 I C 2.383 178.558 176.117 0.095 0.000 1.104 70 I CA 1.639 62.978 61.300 0.065 0.000 1.397 70 I CB -0.374 37.651 38.000 0.043 0.000 1.072 70 I HN 0.399 nan 8.210 nan 0.000 0.417 71 T N -1.724 112.861 114.554 0.051 0.000 3.023 71 T HA 0.089 4.439 4.350 -0.001 0.000 0.266 71 T C 1.702 176.439 174.700 0.061 0.000 1.093 71 T CA 0.657 62.790 62.100 0.055 0.000 1.129 71 T CB -0.142 68.752 68.868 0.042 0.000 0.899 71 T HN 0.540 nan 8.240 nan 0.000 0.491 72 G N 1.579 110.417 108.800 0.062 0.000 2.153 72 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.252 72 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.252 72 G C 0.055 174.981 174.900 0.044 0.000 0.994 72 G CA 0.162 45.299 45.100 0.062 0.000 0.698 72 G HN 0.733 nan 8.290 nan 0.000 0.521 73 R N -0.169 120.353 120.500 0.037 0.000 2.740 73 R HA 0.487 4.826 4.340 -0.001 0.000 0.282 73 R C -2.841 173.476 176.300 0.028 0.000 0.969 73 R CA -2.233 53.889 56.100 0.037 0.000 0.918 73 R CB 1.773 32.101 30.300 0.046 0.000 1.175 73 R HN -0.017 nan 8.270 nan 0.000 0.464 74 P HA -0.036 nan 4.420 nan 0.000 0.264 74 P C -0.779 176.542 177.300 0.036 0.000 1.193 74 P CA 0.246 63.353 63.100 0.012 0.000 0.763 74 P CB 0.679 32.367 31.700 -0.020 0.000 0.810 75 Q N 1.332 121.154 119.800 0.037 0.000 2.486 75 Q HA 0.838 5.177 4.340 -0.001 0.000 0.274 75 Q C -0.743 175.309 176.000 0.088 0.000 1.076 75 Q CA -0.956 54.891 55.803 0.073 0.000 0.872 75 Q CB 2.321 31.102 28.738 0.071 0.000 1.383 75 Q HN 0.415 nan 8.270 nan 0.000 0.478 76 A N 0.222 123.128 122.820 0.142 0.000 2.449 76 A HA 0.769 5.089 4.320 -0.001 0.000 0.302 76 A C -0.531 177.181 177.584 0.212 0.000 1.048 76 A CA -0.558 51.575 52.037 0.161 0.000 0.708 76 A CB 0.789 19.891 19.000 0.169 0.000 1.274 76 A HN 0.834 nan 8.150 nan 0.000 0.410 77 C N -0.228 119.192 119.300 0.201 0.000 2.971 77 C HA 0.964 5.424 4.460 -0.001 0.000 0.310 77 C C -0.986 174.190 174.990 0.309 0.000 1.285 77 C CA -0.951 58.202 59.018 0.226 0.000 1.593 77 C CB 1.400 29.223 27.740 0.138 0.000 2.076 77 C HN 1.040 nan 8.230 nan 0.000 0.472 78 W N 1.311 122.684 121.300 0.122 0.000 2.957 78 W HA 0.648 5.308 4.660 -0.001 0.000 0.336 78 W C -0.935 175.693 176.519 0.182 0.000 1.087 78 W CA -0.072 57.388 57.345 0.191 0.000 1.235 78 W CB 2.212 31.852 29.460 0.299 0.000 1.399 78 W HN 1.289 nan 8.180 nan 0.000 0.480 79 A N 2.746 125.458 122.820 -0.180 0.000 2.532 79 A HA 0.656 4.976 4.320 -0.001 0.000 0.290 79 A C -0.689 176.827 177.584 -0.113 0.000 1.143 79 A CA -0.442 51.597 52.037 0.003 0.000 0.728 79 A CB 1.868 20.884 19.000 0.027 0.000 1.317 79 A HN 0.446 nan 8.150 nan 0.000 0.414 80 T N -0.000 114.594 114.554 0.067 0.000 2.771 80 T HA 0.521 4.870 4.350 -0.001 0.000 0.290 80 T C 0.583 175.289 174.700 0.011 0.000 1.005 80 T CA -0.113 62.030 62.100 0.071 0.000 0.944 80 T CB -0.088 68.853 68.868 0.122 0.000 1.147 80 T HN 0.993 nan 8.240 nan 0.000 0.534 81 L N 0.107 121.341 121.223 0.018 0.000 2.474 81 L HA 0.602 4.942 4.340 -0.001 0.000 0.259 81 L C 1.360 178.228 176.870 -0.003 0.000 1.232 81 L CA -0.201 54.642 54.840 0.004 0.000 0.821 81 L CB -0.937 41.125 42.059 0.005 0.000 1.108 81 L HN 0.916 nan 8.230 nan 0.000 0.495 82 G N 1.428 110.221 108.800 -0.011 0.000 2.620 82 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.315 82 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.315 82 G C -1.092 173.791 174.900 -0.028 0.000 1.179 82 G CA 0.395 45.478 45.100 -0.029 0.000 0.971 82 G HN 0.785 nan 8.290 nan 0.000 0.544 83 P HA 0.037 nan 4.420 nan 0.000 0.226 83 P C 1.880 179.163 177.300 -0.028 0.000 1.153 83 P CA 2.179 65.262 63.100 -0.029 0.000 0.777 83 P CB -0.589 31.093 31.700 -0.030 0.000 0.794 84 G N 0.820 109.610 108.800 -0.016 0.000 2.433 84 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.216 84 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.216 84 G C 1.543 176.439 174.900 -0.005 0.000 1.186 84 G CA 0.926 46.021 45.100 -0.008 0.000 0.779 84 G HN 0.143 nan 8.290 nan 0.000 0.543 85 M N 1.981 121.580 119.600 -0.000 0.000 2.080 85 M HA -0.126 4.353 4.480 -0.001 0.000 0.260 85 M C 2.730 179.008 176.300 -0.037 0.000 1.068 85 M CA 2.567 57.867 55.300 -0.000 0.000 1.109 85 M CB -1.151 31.459 32.600 0.018 0.000 1.342 85 M HN 0.411 nan 8.290 nan 0.000 0.405 86 T N -1.206 113.327 114.554 -0.036 0.000 2.821 86 T HA -0.093 4.257 4.350 -0.001 0.000 0.267 86 T C 1.602 176.305 174.700 0.004 0.000 1.046 86 T CA 1.514 63.594 62.100 -0.032 0.000 1.139 86 T CB -0.667 68.184 68.868 -0.029 0.000 0.871 86 T HN 0.315 nan 8.240 nan 0.000 0.454 87 N N 1.452 120.155 118.700 0.006 0.000 2.104 87 N HA 0.002 4.742 4.740 -0.001 0.000 0.190 87 N C 1.674 177.247 175.510 0.106 0.000 1.024 87 N CA 0.838 53.911 53.050 0.039 0.000 0.853 87 N CB -0.745 37.660 38.487 -0.138 0.000 1.008 87 N HN 0.288 nan 8.380 nan 0.000 0.424 88 L N 1.018 122.277 121.223 0.060 0.000 2.191 88 L HA -0.081 4.258 4.340 -0.001 0.000 0.212 88 L C 2.180 179.099 176.870 0.082 0.000 1.103 88 L CA 1.223 56.114 54.840 0.086 0.000 0.769 88 L CB -0.767 41.331 42.059 0.065 0.000 0.908 88 L HN 0.236 nan 8.230 nan 0.000 0.438 89 S N -2.786 112.933 115.700 0.032 0.000 2.419 89 S HA -0.176 4.293 4.470 -0.001 0.000 0.233 89 S C 1.812 176.445 174.600 0.054 0.000 1.016 89 S CA 1.499 59.693 58.200 -0.010 0.000 0.974 89 S CB -0.863 62.297 63.200 -0.067 0.000 0.786 89 S HN 0.505 nan 8.310 nan 0.000 0.492 90 T N 1.464 116.098 114.554 0.133 0.000 2.867 90 T HA 0.097 4.447 4.350 -0.001 0.000 0.268 90 T C 1.951 176.835 174.700 0.307 0.000 1.057 90 T CA 1.220 63.439 62.100 0.200 0.000 1.136 90 T CB -0.910 68.062 68.868 0.174 0.000 0.874 90 T HN 0.641 nan 8.240 nan 0.000 0.466 91 G N 1.269 110.247 108.800 0.296 0.000 2.408 91 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.217 91 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.217 91 G C 1.504 176.446 174.900 0.070 0.000 1.150 91 G CA 0.282 45.463 45.100 0.135 0.000 0.776 91 G HN 0.478 nan 8.290 nan 0.000 0.542 92 I N 1.402 122.008 120.570 0.060 0.000 2.226 92 I HA -0.178 3.991 4.170 -0.001 0.000 0.245 92 I C 3.269 179.403 176.117 0.027 0.000 1.100 92 I CA 0.974 62.292 61.300 0.029 0.000 1.374 92 I CB -0.176 37.817 38.000 -0.011 0.000 1.057 92 I HN 0.237 nan 8.210 nan 0.000 0.413 93 A N 0.306 123.149 122.820 0.038 0.000 1.933 93 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 93 A C 2.378 179.990 177.584 0.047 0.000 1.175 93 A CA 2.370 54.427 52.037 0.034 0.000 0.628 93 A CB -1.060 17.961 19.000 0.034 0.000 0.814 93 A HN 0.380 nan 8.150 nan 0.000 0.444 94 T N -0.491 114.115 114.554 0.088 0.000 2.684 94 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 94 T C 2.294 177.018 174.700 0.040 0.000 1.036 94 T CA 1.896 64.050 62.100 0.090 0.000 1.148 94 T CB -0.354 68.608 68.868 0.156 0.000 0.863 94 T HN 0.577 nan 8.240 nan 0.000 0.436 95 S N 0.121 115.836 115.700 0.026 0.000 2.383 95 S HA -0.062 4.408 4.470 -0.001 0.000 0.227 95 S C 2.159 176.761 174.600 0.004 0.000 1.026 95 S CA 0.994 59.197 58.200 0.006 0.000 0.981 95 S CB -0.503 62.699 63.200 0.002 0.000 0.818 95 S HN 0.266 nan 8.310 nan 0.000 0.472 96 V N 1.063 120.982 119.914 0.009 0.000 2.453 96 V HA 0.038 4.157 4.120 -0.001 0.000 0.247 96 V C 2.138 178.230 176.094 -0.004 0.000 1.048 96 V CA 1.702 64.005 62.300 0.005 0.000 1.049 96 V CB -0.276 31.550 31.823 0.006 0.000 0.672 96 V HN 0.547 nan 8.190 nan 0.000 0.457 97 L N -0.667 120.551 121.223 -0.008 0.000 2.249 97 L HA 0.031 4.370 4.340 -0.001 0.000 0.207 97 L C 1.909 178.757 176.870 -0.037 0.000 1.090 97 L CA 1.066 55.892 54.840 -0.024 0.000 0.802 97 L CB -0.340 41.702 42.059 -0.029 0.000 0.947 97 L HN 0.286 nan 8.230 nan 0.000 0.453 98 D N -0.075 120.307 120.400 -0.031 0.000 2.349 98 D HA 0.007 4.646 4.640 -0.001 0.000 0.215 98 D C -0.124 176.154 176.300 -0.036 0.000 1.016 98 D CA 0.146 54.121 54.000 -0.042 0.000 0.870 98 D CB 0.227 41.003 40.800 -0.039 0.000 0.917 98 D HN -0.026 nan 8.370 nan 0.000 0.524 99 R N 0.380 120.865 120.500 -0.024 0.000 2.823 99 R HA -0.106 4.233 4.340 -0.001 0.000 0.294 99 R C -0.584 175.701 176.300 -0.024 0.000 0.952 99 R CA 0.224 56.314 56.100 -0.017 0.000 0.695 99 R CB -3.224 27.070 30.300 -0.010 0.000 1.795 99 R HN 0.335 nan 8.270 nan 0.000 0.468 100 S N -0.280 115.405 115.700 -0.025 0.000 2.546 100 S HA 0.761 5.231 4.470 -0.001 0.000 0.274 100 S C -2.758 171.832 174.600 -0.018 0.000 1.121 100 S CA -1.634 56.547 58.200 -0.032 0.000 0.887 100 S CB 3.608 66.772 63.200 -0.061 0.000 1.094 100 S HN 0.129 nan 8.310 nan 0.000 0.474 101 P HA 0.297 nan 4.420 nan 0.000 0.247 101 P C -0.824 176.472 177.300 -0.007 0.000 1.756 101 P CA -0.209 62.885 63.100 -0.010 0.000 1.117 101 P CB 0.219 31.912 31.700 -0.012 0.000 1.869 102 V N 5.271 125.188 119.914 0.004 0.000 2.483 102 V HA 0.294 4.413 4.120 -0.001 0.000 0.295 102 V C 0.572 176.689 176.094 0.039 0.000 1.035 102 V CA -0.784 61.526 62.300 0.017 0.000 0.896 102 V CB 1.987 33.816 31.823 0.010 0.000 0.986 102 V HN 0.280 nan 8.190 nan 0.000 0.447 103 I N 4.338 124.937 120.570 0.048 0.000 2.297 103 I HA 0.504 4.673 4.170 -0.001 0.000 0.291 103 I C 0.568 176.744 176.117 0.099 0.000 1.033 103 I CA -0.353 60.984 61.300 0.062 0.000 1.253 103 I CB 0.805 38.828 38.000 0.038 0.000 1.396 103 I HN 0.660 nan 8.210 nan 0.000 0.476 104 A N 8.286 131.183 122.820 0.128 0.000 2.274 104 A HA 0.826 5.145 4.320 -0.001 0.000 0.309 104 A C -0.441 177.188 177.584 0.074 0.000 1.226 104 A CA -0.454 51.683 52.037 0.167 0.000 0.853 104 A CB 0.657 19.816 19.000 0.266 0.000 1.146 104 A HN 0.683 nan 8.150 nan 0.000 0.518 105 L N 2.003 123.213 121.223 -0.021 0.000 2.385 105 L HA 0.772 5.112 4.340 -0.001 0.000 0.273 105 L C 0.113 176.665 176.870 -0.530 0.000 0.990 105 L CA -0.401 54.251 54.840 -0.314 0.000 0.821 105 L CB 2.119 44.051 42.059 -0.211 0.000 1.279 105 L HN 0.771 nan 8.230 nan 0.000 0.412 106 A N 2.167 124.648 122.820 -0.566 0.000 2.422 106 A HA 0.893 5.212 4.320 -0.001 0.000 0.302 106 A C -0.223 177.109 177.584 -0.421 0.000 1.041 106 A CA -0.453 51.319 52.037 -0.442 0.000 0.708 106 A CB 1.580 20.597 19.000 0.028 0.000 1.257 106 A HN 0.783 nan 8.150 nan 0.000 0.414 107 A N 0.988 123.596 122.820 -0.353 0.000 2.429 107 A HA 0.541 4.861 4.320 -0.001 0.000 0.242 107 A C 0.206 177.746 177.584 -0.073 0.000 1.088 107 A CA 0.432 52.386 52.037 -0.139 0.000 0.784 107 A CB 0.316 19.327 19.000 0.018 0.000 1.038 107 A HN 1.139 nan 8.150 nan 0.000 0.501 108 Q N -0.146 119.626 119.800 -0.047 0.000 2.456 108 Q HA 0.522 4.862 4.340 -0.001 0.000 0.284 108 Q C -0.397 175.583 176.000 -0.033 0.000 1.061 108 Q CA -0.302 55.480 55.803 -0.037 0.000 0.799 108 Q CB 1.701 30.408 28.738 -0.051 0.000 1.445 108 Q HN 0.767 nan 8.270 nan 0.000 0.411 109 S N 1.737 117.413 115.700 -0.039 0.000 2.550 109 S HA -0.006 4.464 4.470 -0.001 0.000 0.285 109 S C -0.524 174.016 174.600 -0.101 0.000 1.326 109 S CA 0.059 58.225 58.200 -0.057 0.000 1.037 109 S CB 0.005 63.164 63.200 -0.067 0.000 0.838 109 S HN 0.552 nan 8.310 nan 0.000 0.519 110 E N 1.641 121.761 120.200 -0.133 0.000 2.568 110 E HA -0.022 4.327 4.350 -0.001 0.000 0.262 110 E C 1.356 177.772 176.600 -0.308 0.000 0.961 110 E CA 0.541 56.817 56.400 -0.207 0.000 0.945 110 E CB 0.320 29.841 29.700 -0.298 0.000 0.924 110 E HN 0.636 nan 8.360 nan 0.000 0.467 111 S N 3.321 118.918 115.700 -0.172 0.000 2.383 111 S HA -0.275 4.194 4.470 -0.001 0.000 0.229 111 S C 1.593 176.097 174.600 -0.160 0.000 1.030 111 S CA 1.637 59.764 58.200 -0.121 0.000 1.002 111 S CB -0.507 62.681 63.200 -0.021 0.000 0.829 111 S HN 0.766 nan 8.310 nan 0.000 0.467 112 H N -0.592 118.431 119.070 -0.079 0.000 2.551 112 H HA 0.267 4.822 4.556 -0.001 0.000 0.266 112 H C 0.322 175.572 175.328 -0.131 0.000 0.977 112 H CA 0.954 56.951 56.048 -0.084 0.000 1.163 112 H CB -0.318 29.435 29.762 -0.016 0.000 1.381 112 H HN 0.456 nan 8.280 nan 0.000 0.581 113 D N 0.749 120.849 120.400 -0.500 0.000 2.501 113 D HA 0.216 4.856 4.640 -0.001 0.000 0.224 113 D C -0.165 175.895 176.300 -0.401 0.000 1.202 113 D CA -0.280 53.533 54.000 -0.311 0.000 0.829 113 D CB -0.083 40.577 40.800 -0.233 0.000 1.023 113 D HN 0.281 nan 8.370 nan 0.000 0.499 114 I N 1.529 121.734 120.570 -0.609 0.000 2.294 114 I HA 0.158 4.328 4.170 -0.001 0.000 0.295 114 I C -0.630 175.065 176.117 -0.703 0.000 1.098 114 I CA -0.080 60.943 61.300 -0.461 0.000 1.277 114 I CB 0.040 37.863 38.000 -0.295 0.000 1.434 114 I HN -0.104 nan 8.210 nan 0.000 0.498 115 F N 7.242 127.185 119.950 -0.013 0.000 2.691 115 F HA 0.390 4.916 4.527 -0.001 0.000 0.371 115 F C -2.311 173.485 175.800 -0.005 0.000 1.159 115 F CA -2.737 55.261 58.000 -0.004 0.000 1.174 115 F CB 0.712 39.713 39.000 0.002 0.000 1.419 115 F HN 0.240 nan 8.300 nan 0.000 0.514 116 P HA 0.077 nan 4.420 nan 0.000 0.264 116 P C 0.107 177.447 177.300 0.066 0.000 1.193 116 P CA 0.668 63.802 63.100 0.057 0.000 0.763 116 P CB 0.430 32.146 31.700 0.027 0.000 0.810 117 N N 1.005 119.731 118.700 0.043 0.000 2.909 117 N HA -0.169 4.571 4.740 -0.001 0.000 0.242 117 N C 0.234 175.772 175.510 0.046 0.000 0.975 117 N CA 1.374 54.444 53.050 0.033 0.000 0.921 117 N CB -1.523 36.978 38.487 0.023 0.000 1.112 117 N HN 0.522 nan 8.380 nan 0.000 0.581 118 D N -0.973 119.476 120.400 0.081 0.000 2.753 118 D HA 0.089 4.728 4.640 -0.001 0.000 0.291 118 D C 0.210 176.573 176.300 0.103 0.000 1.075 118 D CA 0.661 54.707 54.000 0.077 0.000 0.946 118 D CB 0.162 40.999 40.800 0.063 0.000 1.376 118 D HN 0.066 nan 8.370 nan 0.000 0.482 119 T N 1.204 115.856 114.554 0.164 0.000 2.918 119 T HA -0.007 4.342 4.350 -0.001 0.000 0.302 119 T C 0.358 175.136 174.700 0.130 0.000 1.045 119 T CA -0.130 62.072 62.100 0.169 0.000 1.114 119 T CB 0.921 69.906 68.868 0.195 0.000 0.965 119 T HN 0.077 nan 8.240 nan 0.000 0.540 120 H N 2.810 121.909 119.070 0.048 0.000 3.157 120 H HA -0.069 4.486 4.556 -0.001 0.000 0.299 120 H C 0.843 176.187 175.328 0.027 0.000 0.961 120 H CA 0.997 57.064 56.048 0.032 0.000 1.428 120 H CB 0.133 29.912 29.762 0.028 0.000 1.459 120 H HN 0.783 nan 8.280 nan 0.000 0.566 121 Q N 1.337 120.939 119.800 -0.330 0.000 2.452 121 Q HA -0.249 4.090 4.340 -0.001 0.000 0.248 121 Q C -0.025 175.932 176.000 -0.072 0.000 0.874 121 Q CA 0.949 56.627 55.803 -0.209 0.000 1.208 121 Q CB -1.749 26.879 28.738 -0.184 0.000 1.569 121 Q HN 0.516 nan 8.270 nan 0.000 0.579 122 C N 1.383 120.665 119.300 -0.031 0.000 2.303 122 C HA 0.628 5.087 4.460 -0.001 0.000 0.341 122 C C 0.226 175.212 174.990 -0.007 0.000 1.244 122 C CA -0.432 58.582 59.018 -0.006 0.000 1.765 122 C CB -0.427 27.326 27.740 0.023 0.000 2.379 122 C HN 0.333 nan 8.230 nan 0.000 0.530 123 L N 4.513 125.728 121.223 -0.012 0.000 2.341 123 L HA 0.427 4.766 4.340 -0.001 0.000 0.267 123 L C -0.130 176.735 176.870 -0.008 0.000 1.009 123 L CA -0.537 54.295 54.840 -0.012 0.000 0.819 123 L CB 1.457 43.502 42.059 -0.023 0.000 1.323 123 L HN 0.477 nan 8.230 nan 0.000 0.425 124 D N 0.512 120.906 120.400 -0.011 0.000 2.498 124 D HA 0.088 4.727 4.640 -0.001 0.000 0.229 124 D C 0.870 177.162 176.300 -0.013 0.000 1.188 124 D CA 0.252 54.246 54.000 -0.010 0.000 1.028 124 D CB 0.735 41.528 40.800 -0.011 0.000 1.087 124 D HN 0.428 nan 8.370 nan 0.000 0.510 125 S N 1.025 116.734 115.700 0.016 0.000 2.356 125 S HA -0.132 4.337 4.470 -0.001 0.000 0.223 125 S C 2.194 176.790 174.600 -0.007 0.000 1.032 125 S CA 0.679 58.891 58.200 0.020 0.000 1.005 125 S CB 0.029 63.347 63.200 0.198 0.000 0.867 125 S HN 0.434 nan 8.310 nan 0.000 0.449 126 V N 2.121 122.102 119.914 0.112 0.000 2.332 126 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 126 V C 2.630 178.712 176.094 -0.019 0.000 1.055 126 V CA 1.814 64.168 62.300 0.090 0.000 1.038 126 V CB -1.224 30.641 31.823 0.070 0.000 0.651 126 V HN 0.557 nan 8.190 nan 0.000 0.450 127 A N -0.413 122.390 122.820 -0.029 0.000 1.969 127 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 127 A C 2.149 179.694 177.584 -0.066 0.000 1.169 127 A CA 1.658 53.670 52.037 -0.042 0.000 0.635 127 A CB -0.488 18.494 19.000 -0.030 0.000 0.810 127 A HN 0.529 nan 8.150 nan 0.000 0.445 128 I N -0.816 119.700 120.570 -0.091 0.000 2.353 128 I HA -0.149 4.021 4.170 -0.001 0.000 0.248 128 I C 2.090 178.110 176.117 -0.162 0.000 1.119 128 I CA 0.864 62.094 61.300 -0.115 0.000 1.417 128 I CB -0.010 37.919 38.000 -0.119 0.000 1.078 128 I HN 0.140 nan 8.210 nan 0.000 0.421 129 V N 0.416 120.183 119.914 -0.244 0.000 2.725 129 V HA -0.008 4.111 4.120 -0.001 0.000 0.247 129 V C 2.621 178.617 176.094 -0.163 0.000 1.058 129 V CA 1.177 63.290 62.300 -0.313 0.000 1.080 129 V CB -0.515 30.855 31.823 -0.754 0.000 0.713 129 V HN 0.406 nan 8.190 nan 0.000 0.465 130 A N 1.238 123.995 122.820 -0.105 0.000 1.915 130 A HA -0.216 4.104 4.320 -0.001 0.000 0.220 130 A C 0.524 178.084 177.584 -0.041 0.000 1.198 130 A CA 2.575 54.580 52.037 -0.053 0.000 0.647 130 A CB -1.999 16.974 19.000 -0.045 0.000 0.825 130 A HN 0.571 nan 8.150 nan 0.000 0.456 131 P HA -0.062 nan 4.420 nan 0.000 0.223 131 P C 1.100 178.383 177.300 -0.029 0.000 1.151 131 P CA 1.332 64.412 63.100 -0.033 0.000 0.787 131 P CB -0.151 31.527 31.700 -0.036 0.000 0.788 132 M N -2.487 117.088 119.600 -0.041 0.000 2.673 132 M HA 0.390 4.869 4.480 -0.001 0.000 0.334 132 M C -0.305 175.985 176.300 -0.017 0.000 1.211 132 M CA -0.390 54.892 55.300 -0.031 0.000 0.962 132 M CB 0.287 32.861 32.600 -0.043 0.000 1.343 132 M HN -0.241 nan 8.290 nan 0.000 0.511 133 S N -1.294 114.406 115.700 -0.000 0.000 2.607 133 S HA 0.563 5.032 4.470 -0.001 0.000 0.273 133 S C 0.260 174.895 174.600 0.058 0.000 1.148 133 S CA -0.972 57.249 58.200 0.036 0.000 0.833 133 S CB 1.736 64.968 63.200 0.054 0.000 1.130 133 S HN 0.193 nan 8.310 nan 0.000 0.470 134 K N -0.209 120.245 120.400 0.090 0.000 2.305 134 K HA 0.195 4.514 4.320 -0.001 0.000 0.199 134 K C -0.459 176.254 176.600 0.189 0.000 1.047 134 K CA 0.944 57.295 56.287 0.107 0.000 0.976 134 K CB -0.394 32.160 32.500 0.089 0.000 0.765 134 K HN 0.734 nan 8.250 nan 0.000 0.474 135 Y N -0.846 119.477 120.300 0.038 0.000 2.465 135 Y HA 0.419 4.968 4.550 -0.001 0.000 0.323 135 Y C -2.102 173.849 175.900 0.085 0.000 1.191 135 Y CA -1.064 57.062 58.100 0.043 0.000 1.082 135 Y CB 1.455 39.930 38.460 0.025 0.000 1.334 135 Y HN -0.055 nan 8.280 nan 0.000 0.449 136 A N 4.922 127.510 122.820 -0.386 0.000 2.465 136 A HA 0.767 5.086 4.320 -0.001 0.000 0.292 136 A C -2.241 175.139 177.584 -0.339 0.000 1.041 136 A CA -0.375 51.571 52.037 -0.153 0.000 0.718 136 A CB 1.402 20.440 19.000 0.063 0.000 1.266 136 A HN 1.238 nan 8.150 nan 0.000 0.403 137 V N 1.466 121.226 119.914 -0.257 0.000 3.178 137 V HA 0.674 4.794 4.120 -0.001 0.000 0.302 137 V C -1.136 174.867 176.094 -0.151 0.000 1.262 137 V CA -0.483 61.674 62.300 -0.239 0.000 1.030 137 V CB 2.082 33.719 31.823 -0.310 0.000 1.074 137 V HN 1.023 nan 8.190 nan 0.000 0.438 138 E N 3.323 123.456 120.200 -0.111 0.000 2.171 138 E HA 0.461 4.811 4.350 -0.001 0.000 0.271 138 E C -1.145 175.402 176.600 -0.088 0.000 0.916 138 E CA -0.864 55.473 56.400 -0.104 0.000 0.774 138 E CB 1.851 31.509 29.700 -0.070 0.000 1.128 138 E HN 0.677 nan 8.360 nan 0.000 0.403 139 L N 4.115 125.283 121.223 -0.091 0.000 2.499 139 L HA -0.014 4.325 4.340 -0.001 0.000 0.273 139 L C 0.381 177.218 176.870 -0.055 0.000 1.195 139 L CA 1.201 56.001 54.840 -0.067 0.000 0.882 139 L CB 0.571 42.593 42.059 -0.061 0.000 1.133 139 L HN 0.761 nan 8.230 nan 0.000 0.483 140 Q N 3.396 123.165 119.800 -0.051 0.000 2.471 140 Q HA 0.309 4.649 4.340 -0.001 0.000 0.259 140 Q C -0.160 175.824 176.000 -0.027 0.000 0.850 140 Q CA 0.026 55.807 55.803 -0.037 0.000 0.981 140 Q CB 0.829 29.547 28.738 -0.034 0.000 1.180 140 Q HN 0.572 nan 8.270 nan 0.000 0.571 141 R N 0.877 121.345 120.500 -0.054 0.000 2.435 141 R HA 0.241 4.581 4.340 -0.001 0.000 0.308 141 R C -2.229 174.014 176.300 -0.094 0.000 0.975 141 R CA -1.806 54.265 56.100 -0.048 0.000 0.867 141 R CB 1.448 31.709 30.300 -0.065 0.000 1.171 141 R HN -0.091 nan 8.270 nan 0.000 0.470 142 P HA -0.272 nan 4.420 nan 0.000 0.216 142 P C 0.886 178.194 177.300 0.015 0.000 1.154 142 P CA 1.421 64.534 63.100 0.020 0.000 0.865 142 P CB 0.032 31.771 31.700 0.064 0.000 0.789 143 H N -0.715 118.368 119.070 0.021 0.000 2.546 143 H HA 0.072 4.627 4.556 -0.001 0.000 0.277 143 H C 1.103 176.448 175.328 0.029 0.000 1.004 143 H CA 0.854 56.917 56.048 0.025 0.000 1.231 143 H CB -0.640 29.134 29.762 0.019 0.000 1.382 143 H HN 0.241 nan 8.280 nan 0.000 0.580 144 E N 0.225 120.142 120.200 -0.471 0.000 2.481 144 E HA -0.013 4.337 4.350 -0.001 0.000 0.195 144 E C 1.723 178.263 176.600 -0.099 0.000 1.047 144 E CA 0.051 56.266 56.400 -0.309 0.000 0.867 144 E CB 0.075 29.580 29.700 -0.324 0.000 0.858 144 E HN 0.271 nan 8.360 nan 0.000 0.513 145 I N 1.174 121.711 120.570 -0.055 0.000 2.264 145 I HA -0.288 3.881 4.170 -0.001 0.000 0.248 145 I C 1.980 178.111 176.117 0.024 0.000 1.111 145 I CA 1.603 62.901 61.300 -0.003 0.000 1.382 145 I CB -0.349 37.663 38.000 0.019 0.000 1.060 145 I HN 0.003 nan 8.210 nan 0.000 0.418 146 T N 0.737 115.312 114.554 0.035 0.000 2.635 146 T HA -0.247 4.103 4.350 -0.001 0.000 0.267 146 T C 1.426 176.155 174.700 0.049 0.000 1.040 146 T CA 2.005 64.137 62.100 0.054 0.000 1.156 146 T CB -0.632 68.274 68.868 0.063 0.000 0.863 146 T HN 0.712 nan 8.240 nan 0.000 0.430 147 D N 0.892 121.310 120.400 0.030 0.000 2.277 147 D HA -0.012 4.628 4.640 -0.001 0.000 0.208 147 D C 1.978 178.287 176.300 0.015 0.000 0.962 147 D CA 0.563 54.578 54.000 0.026 0.000 0.865 147 D CB -0.625 40.189 40.800 0.024 0.000 0.939 147 D HN 0.353 nan 8.370 nan 0.000 0.510 148 L N 0.233 121.471 121.223 0.025 0.000 2.072 148 L HA -0.076 4.263 4.340 -0.001 0.000 0.205 148 L C 2.509 179.374 176.870 -0.009 0.000 1.079 148 L CA 0.542 55.416 54.840 0.056 0.000 0.752 148 L CB -0.408 41.696 42.059 0.075 0.000 0.906 148 L HN 0.040 nan 8.230 nan 0.000 0.436 149 V N 0.087 120.000 119.914 -0.001 0.000 2.287 149 V HA -0.310 3.810 4.120 -0.001 0.000 0.248 149 V C 2.152 178.182 176.094 -0.106 0.000 1.053 149 V CA 2.018 64.302 62.300 -0.028 0.000 1.027 149 V CB -0.574 31.279 31.823 0.049 0.000 0.646 149 V HN 0.424 nan 8.190 nan 0.000 0.447 150 D N 0.073 120.456 120.400 -0.027 0.000 2.104 150 D HA -0.132 4.508 4.640 -0.001 0.000 0.194 150 D C 2.455 178.655 176.300 -0.166 0.000 0.994 150 D CA 1.779 55.764 54.000 -0.026 0.000 0.830 150 D CB -0.367 40.471 40.800 0.063 0.000 0.959 150 D HN 0.368 nan 8.370 nan 0.000 0.452 151 S N 0.145 115.710 115.700 -0.225 0.000 2.382 151 S HA -0.100 4.369 4.470 -0.001 0.000 0.228 151 S C 2.051 176.164 174.600 -0.813 0.000 1.027 151 S CA 0.965 58.913 58.200 -0.420 0.000 0.991 151 S CB -0.180 62.807 63.200 -0.354 0.000 0.823 151 S HN 0.368 nan 8.310 nan 0.000 0.469 152 A N 1.007 123.343 122.820 -0.807 0.000 1.902 152 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 152 A C 2.306 179.683 177.584 -0.344 0.000 1.181 152 A CA 1.476 53.138 52.037 -0.625 0.000 0.623 152 A CB -0.802 18.058 19.000 -0.234 0.000 0.818 152 A HN 0.355 nan 8.150 nan 0.000 0.443 153 V N 0.785 120.505 119.914 -0.324 0.000 2.358 153 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 153 V C 2.309 178.283 176.094 -0.199 0.000 1.047 153 V CA 1.982 64.109 62.300 -0.288 0.000 1.035 153 V CB -0.988 30.525 31.823 -0.517 0.000 0.658 153 V HN 0.529 nan 8.190 nan 0.000 0.452 154 N N 0.922 119.504 118.700 -0.198 0.000 2.036 154 N HA -0.170 4.569 4.740 -0.001 0.000 0.195 154 N C 1.870 177.318 175.510 -0.103 0.000 1.037 154 N CA 1.955 54.929 53.050 -0.125 0.000 0.855 154 N CB -0.578 37.839 38.487 -0.117 0.000 1.033 154 N HN 0.492 nan 8.380 nan 0.000 0.423 155 A N 0.508 123.243 122.820 -0.141 0.000 1.929 155 A HA 0.147 4.466 4.320 -0.001 0.000 0.216 155 A C 2.298 179.865 177.584 -0.028 0.000 1.176 155 A CA 1.696 53.698 52.037 -0.058 0.000 0.628 155 A CB -0.684 18.308 19.000 -0.013 0.000 0.816 155 A HN 0.324 nan 8.150 nan 0.000 0.444 156 A N -1.182 121.607 122.820 -0.052 0.000 1.969 156 A HA 0.019 4.338 4.320 -0.001 0.000 0.218 156 A C 1.786 179.357 177.584 -0.022 0.000 1.169 156 A CA 1.484 53.506 52.037 -0.024 0.000 0.635 156 A CB -0.307 18.672 19.000 -0.035 0.000 0.810 156 A HN 0.380 nan 8.150 nan 0.000 0.445 157 M N 1.014 120.593 119.600 -0.035 0.000 2.571 157 M HA 0.136 4.616 4.480 -0.001 0.000 0.235 157 M C -0.510 175.783 176.300 -0.013 0.000 1.216 157 M CA 0.530 55.817 55.300 -0.021 0.000 0.979 157 M CB -0.822 31.763 32.600 -0.025 0.000 1.616 157 M HN 0.126 nan 8.290 nan 0.000 0.469 158 T N 0.884 115.431 114.554 -0.011 0.000 2.797 158 T HA 0.306 4.655 4.350 -0.001 0.000 0.279 158 T C 0.263 174.962 174.700 -0.001 0.000 0.991 158 T CA -0.684 61.413 62.100 -0.005 0.000 0.979 158 T CB 2.091 70.956 68.868 -0.004 0.000 0.943 158 T HN 0.088 nan 8.240 nan 0.000 0.444 159 E N 4.048 124.246 120.200 -0.003 0.000 2.384 159 E HA 0.161 4.511 4.350 -0.001 0.000 0.266 159 E C -2.099 174.501 176.600 0.001 0.000 1.012 159 E CA -1.831 54.568 56.400 -0.002 0.000 0.901 159 E CB 0.477 30.171 29.700 -0.010 0.000 0.967 159 E HN 0.361 nan 8.360 nan 0.000 0.435 160 P HA 0.010 nan 4.420 nan 0.000 0.276 160 P C 0.126 177.430 177.300 0.006 0.000 1.253 160 P CA -0.297 62.805 63.100 0.005 0.000 0.766 160 P CB 0.510 32.214 31.700 0.007 0.000 0.845 161 V N 1.737 121.654 119.914 0.005 0.000 2.872 161 V HA 0.691 4.810 4.120 -0.001 0.000 0.307 161 V C 0.527 176.624 176.094 0.005 0.000 1.072 161 V CA 0.559 62.861 62.300 0.004 0.000 1.148 161 V CB 0.040 31.865 31.823 0.004 0.000 0.954 161 V HN 0.890 nan 8.190 nan 0.000 0.490 162 G N 3.303 112.108 108.800 0.008 0.000 2.489 162 G HA2 0.617 4.576 3.960 -0.001 0.000 0.305 162 G HA3 0.617 4.576 3.960 -0.001 0.000 0.305 162 G C -3.479 171.435 174.900 0.025 0.000 1.311 162 G CA -0.576 44.532 45.100 0.014 0.000 0.813 162 G HN 0.736 nan 8.290 nan 0.000 0.480 163 P HA 0.487 nan 4.420 nan 0.000 0.277 163 P C -0.651 176.712 177.300 0.104 0.000 1.240 163 P CA -0.152 62.985 63.100 0.061 0.000 0.798 163 P CB 1.778 33.515 31.700 0.061 0.000 0.979 164 S N 1.062 116.843 115.700 0.134 0.000 2.542 164 S HA 0.641 5.110 4.470 -0.001 0.000 0.293 164 S C -1.152 173.614 174.600 0.278 0.000 1.089 164 S CA -0.307 58.029 58.200 0.226 0.000 0.961 164 S CB 0.792 64.088 63.200 0.160 0.000 1.062 164 S HN 0.437 nan 8.310 nan 0.000 0.483 165 F N 2.928 122.959 119.950 0.134 0.000 2.529 165 F HA 0.695 5.221 4.527 -0.001 0.000 0.320 165 F C -1.398 174.431 175.800 0.048 0.000 1.118 165 F CA -0.918 57.112 58.000 0.051 0.000 0.915 165 F CB 0.669 39.667 39.000 -0.003 0.000 1.161 165 F HN 0.439 nan 8.300 nan 0.000 0.445 166 I N 4.775 124.907 120.570 -0.730 0.000 2.418 166 I HA 0.281 4.451 4.170 -0.001 0.000 0.287 166 I C -0.413 175.114 176.117 -0.984 0.000 1.008 166 I CA -0.779 60.138 61.300 -0.638 0.000 1.104 166 I CB 1.888 39.744 38.000 -0.239 0.000 1.264 166 I HN 0.524 nan 8.210 nan 0.000 0.438 167 S N 7.143 122.397 115.700 -0.743 0.000 2.475 167 S HA 0.637 5.107 4.470 -0.001 0.000 0.281 167 S C -0.567 173.875 174.600 -0.264 0.000 1.198 167 S CA -0.479 57.435 58.200 -0.476 0.000 1.063 167 S CB 0.376 63.467 63.200 -0.182 0.000 0.972 167 S HN 0.473 nan 8.310 nan 0.000 0.486 168 L N 6.844 127.934 121.223 -0.222 0.000 2.384 168 L HA 0.396 4.735 4.340 -0.001 0.000 0.261 168 L C -2.456 174.370 176.870 -0.074 0.000 1.024 168 L CA -2.078 52.682 54.840 -0.133 0.000 0.899 168 L CB 1.548 43.529 42.059 -0.130 0.000 1.243 168 L HN 0.438 nan 8.230 nan 0.000 0.449 169 P HA -0.062 nan 4.420 nan 0.000 0.264 169 P C 1.229 178.522 177.300 -0.012 0.000 1.193 169 P CA -0.072 63.002 63.100 -0.043 0.000 0.763 169 P CB 0.947 32.616 31.700 -0.052 0.000 0.810 170 V N 1.526 121.440 119.914 -0.000 0.000 2.568 170 V HA -0.248 3.871 4.120 -0.001 0.000 0.253 170 V C 1.539 177.650 176.094 0.030 0.000 1.072 170 V CA 2.244 64.561 62.300 0.029 0.000 1.084 170 V CB -1.230 30.616 31.823 0.039 0.000 0.676 170 V HN 0.496 nan 8.190 nan 0.000 0.469 171 D N 0.948 121.364 120.400 0.027 0.000 2.149 171 D HA -0.174 4.465 4.640 -0.001 0.000 0.201 171 D C 2.054 178.378 176.300 0.039 0.000 0.972 171 D CA 1.719 55.747 54.000 0.047 0.000 0.835 171 D CB -0.504 40.349 40.800 0.088 0.000 0.966 171 D HN 0.535 nan 8.370 nan 0.000 0.476 172 L N -0.391 120.849 121.223 0.028 0.000 2.131 172 L HA -0.027 4.312 4.340 -0.001 0.000 0.206 172 L C 2.623 179.509 176.870 0.026 0.000 1.087 172 L CA 0.245 55.099 54.840 0.024 0.000 0.767 172 L CB -0.446 41.619 42.059 0.010 0.000 0.917 172 L HN 0.021 nan 8.230 nan 0.000 0.441 173 L N 0.689 121.929 121.223 0.028 0.000 2.079 173 L HA -0.099 4.241 4.340 -0.001 0.000 0.210 173 L C 2.076 178.963 176.870 0.028 0.000 1.081 173 L CA 1.977 56.842 54.840 0.041 0.000 0.752 173 L CB -0.869 41.233 42.059 0.072 0.000 0.896 173 L HN 0.152 nan 8.230 nan 0.000 0.433 174 G N -1.693 107.121 108.800 0.023 0.000 3.088 174 G HA2 0.050 4.009 3.960 -0.001 0.000 0.212 174 G HA3 0.050 4.009 3.960 -0.001 0.000 0.212 174 G C 0.478 175.387 174.900 0.015 0.000 1.173 174 G CA 0.528 45.635 45.100 0.012 0.000 0.779 174 G HN 0.399 nan 8.290 nan 0.000 0.540 175 S N -0.138 115.576 115.700 0.023 0.000 2.565 175 S HA 0.441 4.910 4.470 -0.001 0.000 0.290 175 S C 1.279 175.895 174.600 0.026 0.000 1.150 175 S CA 0.215 58.430 58.200 0.024 0.000 1.058 175 S CB 1.607 64.826 63.200 0.031 0.000 1.032 175 S HN 0.269 nan 8.310 nan 0.000 0.510 176 S N 2.126 117.837 115.700 0.018 0.000 2.557 176 S HA 0.211 4.681 4.470 -0.001 0.000 0.223 176 S C 0.327 174.941 174.600 0.023 0.000 0.969 176 S CA -0.437 57.772 58.200 0.015 0.000 0.927 176 S CB -0.362 62.835 63.200 -0.005 0.000 0.806 176 S HN 0.851 nan 8.310 nan 0.000 0.489 177 E N 1.490 121.710 120.200 0.033 0.000 2.498 177 E HA 0.306 4.655 4.350 -0.001 0.000 0.252 177 E C 1.190 177.827 176.600 0.061 0.000 1.025 177 E CA 0.838 57.261 56.400 0.038 0.000 0.938 177 E CB -0.559 29.169 29.700 0.046 0.000 0.947 177 E HN 0.587 nan 8.360 nan 0.000 0.478 178 G N 4.250 113.053 108.800 0.006 0.000 2.176 178 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.253 178 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.253 178 G C 0.239 175.120 174.900 -0.032 0.000 0.979 178 G CA 0.161 45.219 45.100 -0.070 0.000 0.641 178 G HN 0.577 nan 8.290 nan 0.000 0.530 179 I N 1.508 122.094 120.570 0.026 0.000 2.371 179 I HA 0.450 4.620 4.170 -0.001 0.000 0.290 179 I C -0.443 175.673 176.117 -0.001 0.000 1.028 179 I CA -0.394 60.929 61.300 0.038 0.000 1.345 179 I CB 1.420 39.451 38.000 0.051 0.000 1.407 179 I HN 0.067 nan 8.210 nan 0.000 0.501 180 D N 4.177 124.578 120.400 0.001 0.000 2.473 180 D HA 0.157 4.796 4.640 -0.001 0.000 0.253 180 D C 0.617 176.915 176.300 -0.004 0.000 1.233 180 D CA -0.475 53.517 54.000 -0.014 0.000 0.908 180 D CB 1.393 42.181 40.800 -0.020 0.000 1.170 180 D HN 0.569 nan 8.370 nan 0.000 0.558 181 T N -0.560 113.982 114.554 -0.021 0.000 3.144 181 T HA -0.007 4.342 4.350 -0.001 0.000 0.249 181 T C 1.527 176.223 174.700 -0.006 0.000 1.089 181 T CA 0.759 62.854 62.100 -0.008 0.000 0.989 181 T CB -0.182 68.656 68.868 -0.049 0.000 0.992 181 T HN 0.344 nan 8.240 nan 0.000 0.540 182 T N -0.136 114.410 114.554 -0.012 0.000 2.985 182 T HA 0.148 4.498 4.350 -0.001 0.000 0.266 182 T C 0.717 175.417 174.700 -0.000 0.000 1.076 182 T CA -0.005 62.090 62.100 -0.008 0.000 1.135 182 T CB -0.619 68.241 68.868 -0.013 0.000 0.890 182 T HN 0.246 nan 8.240 nan 0.000 0.480 183 V N 4.196 124.111 119.914 0.002 0.000 2.432 183 V HA 0.353 4.472 4.120 -0.001 0.000 0.271 183 V C -2.109 173.994 176.094 0.015 0.000 1.046 183 V CA -1.949 60.355 62.300 0.007 0.000 0.945 183 V CB 0.598 32.425 31.823 0.006 0.000 0.992 183 V HN 0.333 nan 8.190 nan 0.000 0.471 184 P HA 0.200 nan 4.420 nan 0.000 0.272 184 P C -0.290 177.020 177.300 0.017 0.000 1.223 184 P CA -0.522 62.588 63.100 0.016 0.000 0.784 184 P CB 0.407 32.112 31.700 0.010 0.000 0.923 185 N N 2.237 120.947 118.700 0.018 0.000 2.441 185 N HA 0.108 4.848 4.740 -0.001 0.000 0.251 185 N C -1.912 173.600 175.510 0.004 0.000 1.242 185 N CA -0.760 52.299 53.050 0.014 0.000 0.898 185 N CB -0.866 37.625 38.487 0.007 0.000 1.100 185 N HN 0.378 nan 8.380 nan 0.000 0.443 186 P HA 0.189 nan 4.420 nan 0.000 0.271 186 P C -2.492 174.798 177.300 -0.017 0.000 1.233 186 P CA -0.758 62.342 63.100 0.001 0.000 0.789 186 P CB -0.660 31.047 31.700 0.011 0.000 0.951 187 P HA 0.019 nan 4.420 nan 0.000 0.265 187 P C 0.621 177.887 177.300 -0.057 0.000 1.193 187 P CA 0.229 63.308 63.100 -0.036 0.000 0.765 187 P CB 0.212 31.901 31.700 -0.018 0.000 0.823 188 A N 3.791 126.536 122.820 -0.126 0.000 1.898 188 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 188 A C 0.746 178.296 177.584 -0.056 0.000 1.181 188 A CA 1.256 53.150 52.037 -0.239 0.000 0.620 188 A CB -1.479 17.160 19.000 -0.602 0.000 0.819 188 A HN 0.783 nan 8.150 nan 0.000 0.442 189 N N -0.113 118.569 118.700 -0.030 0.000 2.714 189 N HA -0.117 4.622 4.740 -0.001 0.000 0.253 189 N C -0.880 174.678 175.510 0.080 0.000 1.024 189 N CA 0.331 53.397 53.050 0.026 0.000 0.726 189 N CB -1.532 36.972 38.487 0.029 0.000 0.908 189 N HN 0.473 nan 8.380 nan 0.000 0.542 190 T N 1.154 115.773 114.554 0.108 0.000 2.853 190 T HA 0.230 4.580 4.350 -0.001 0.000 0.298 190 T C -1.788 172.960 174.700 0.081 0.000 0.978 190 T CA -0.714 61.484 62.100 0.163 0.000 1.152 190 T CB 0.568 69.567 68.868 0.217 0.000 0.914 190 T HN 0.026 nan 8.240 nan 0.000 0.539 191 P HA 0.245 nan 4.420 nan 0.000 0.267 191 P C 0.534 177.856 177.300 0.037 0.000 1.205 191 P CA -0.295 62.827 63.100 0.037 0.000 0.765 191 P CB 0.449 32.163 31.700 0.022 0.000 0.828 192 A N 4.097 126.937 122.820 0.033 0.000 1.969 192 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 192 A C 0.865 178.468 177.584 0.031 0.000 1.169 192 A CA 1.398 53.454 52.037 0.033 0.000 0.635 192 A CB -0.558 18.459 19.000 0.029 0.000 0.810 192 A HN 0.671 nan 8.150 nan 0.000 0.445 193 K N -1.575 118.841 120.400 0.026 0.000 2.533 193 K HA 0.579 4.899 4.320 -0.001 0.000 0.272 193 K C -3.456 173.154 176.600 0.017 0.000 0.985 193 K CA -2.172 54.130 56.287 0.025 0.000 0.876 193 K CB 1.071 33.586 32.500 0.024 0.000 1.452 193 K HN -0.222 nan 8.250 nan 0.000 0.439 194 P HA -0.026 nan 4.420 nan 0.000 0.265 194 P C -0.557 176.743 177.300 -0.000 0.000 1.193 194 P CA -0.410 62.694 63.100 0.007 0.000 0.765 194 P CB 0.500 32.205 31.700 0.008 0.000 0.823 195 V N 3.216 123.129 119.914 -0.003 0.000 2.655 195 V HA 0.423 4.543 4.120 -0.001 0.000 0.300 195 V C 1.150 177.236 176.094 -0.014 0.000 1.044 195 V CA 0.763 63.059 62.300 -0.006 0.000 1.095 195 V CB 0.509 32.330 31.823 -0.004 0.000 0.952 195 V HN 0.812 nan 8.190 nan 0.000 0.485 196 G N 2.906 111.692 108.800 -0.024 0.000 2.569 196 G HA2 0.616 4.576 3.960 -0.001 0.000 0.300 196 G HA3 0.616 4.576 3.960 -0.001 0.000 0.300 196 G C -1.106 173.770 174.900 -0.041 0.000 1.269 196 G CA -0.674 44.404 45.100 -0.037 0.000 0.959 196 G HN 0.559 nan 8.290 nan 0.000 0.478 197 V N 0.082 119.969 119.914 -0.045 0.000 2.583 197 V HA 0.477 4.597 4.120 -0.001 0.000 0.287 197 V C -0.101 175.950 176.094 -0.071 0.000 1.051 197 V CA -0.370 61.906 62.300 -0.040 0.000 1.010 197 V CB 1.193 33.000 31.823 -0.027 0.000 0.988 197 V HN 0.465 nan 8.190 nan 0.000 0.478 198 V N 3.653 123.540 119.914 -0.046 0.000 2.569 198 V HA 0.688 4.807 4.120 -0.001 0.000 0.301 198 V C 0.201 176.319 176.094 0.040 0.000 1.044 198 V CA -0.651 61.614 62.300 -0.059 0.000 0.874 198 V CB 1.725 33.513 31.823 -0.059 0.000 1.002 198 V HN 1.016 nan 8.190 nan 0.000 0.424 199 A N 2.815 125.681 122.820 0.076 0.000 2.331 199 A HA 0.566 4.885 4.320 -0.001 0.000 0.283 199 A C -0.028 177.688 177.584 0.220 0.000 1.142 199 A CA -0.314 51.796 52.037 0.121 0.000 0.812 199 A CB 0.400 19.454 19.000 0.091 0.000 1.074 199 A HN 0.953 nan 8.150 nan 0.000 0.497 200 D N 1.567 122.049 120.400 0.138 0.000 2.525 200 D HA 0.336 4.975 4.640 -0.001 0.000 0.235 200 D C 1.383 177.726 176.300 0.072 0.000 1.137 200 D CA 2.049 56.110 54.000 0.101 0.000 0.868 200 D CB 0.239 41.071 40.800 0.053 0.000 1.180 200 D HN 1.283 nan 8.370 nan 0.000 0.465 201 G N 3.682 112.479 108.800 -0.005 0.000 2.143 201 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.248 201 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.248 201 G C 1.041 175.915 174.900 -0.043 0.000 0.991 201 G CA 0.520 45.582 45.100 -0.064 0.000 0.689 201 G HN 0.724 nan 8.290 nan 0.000 0.522 202 W N -0.011 121.270 121.300 -0.032 0.000 2.392 202 W HA -0.080 4.580 4.660 -0.001 0.000 0.279 202 W C 1.451 177.933 176.519 -0.063 0.000 1.225 202 W CA 1.348 58.673 57.345 -0.033 0.000 1.233 202 W CB -0.665 28.780 29.460 -0.025 0.000 1.122 202 W HN 0.397 nan 8.180 nan 0.000 0.561 203 Q N 1.472 120.690 119.800 -0.969 0.000 2.084 203 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 203 Q C 2.323 178.118 176.000 -0.342 0.000 0.978 203 Q CA 2.485 57.652 55.803 -1.060 0.000 0.844 203 Q CB -0.576 27.456 28.738 -1.177 0.000 0.898 203 Q HN 0.350 nan 8.270 nan 0.000 0.426 204 K N 0.220 120.502 120.400 -0.197 0.000 2.026 204 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 204 K C 2.001 178.627 176.600 0.043 0.000 1.048 204 K CA 1.257 57.518 56.287 -0.043 0.000 0.929 204 K CB -0.215 32.260 32.500 -0.040 0.000 0.713 204 K HN 0.213 nan 8.250 nan 0.000 0.439 205 A N 1.101 123.960 122.820 0.064 0.000 1.902 205 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 205 A C 2.349 180.060 177.584 0.212 0.000 1.181 205 A CA 1.947 54.057 52.037 0.121 0.000 0.623 205 A CB -0.899 18.175 19.000 0.123 0.000 0.818 205 A HN 0.503 nan 8.150 nan 0.000 0.443 206 A N 0.007 123.007 122.820 0.300 0.000 1.940 206 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 206 A C 1.721 179.590 177.584 0.474 0.000 1.176 206 A CA 1.973 54.319 52.037 0.515 0.000 0.631 206 A CB -0.581 18.800 19.000 0.635 0.000 0.814 206 A HN 0.481 nan 8.150 nan 0.000 0.446 207 D N -0.465 120.124 120.400 0.315 0.000 2.178 207 D HA -0.117 4.522 4.640 -0.001 0.000 0.202 207 D C 2.166 178.586 176.300 0.200 0.000 0.974 207 D CA 1.221 55.358 54.000 0.229 0.000 0.841 207 D CB -0.396 40.495 40.800 0.150 0.000 0.953 207 D HN 0.636 nan 8.370 nan 0.000 0.478 208 Q N 0.329 120.237 119.800 0.180 0.000 2.124 208 Q HA -0.051 4.288 4.340 -0.001 0.000 0.202 208 Q C 2.193 178.310 176.000 0.195 0.000 0.977 208 Q CA 1.316 57.209 55.803 0.150 0.000 0.850 208 Q CB -0.081 28.721 28.738 0.107 0.000 0.901 208 Q HN 0.218 nan 8.270 nan 0.000 0.429 209 A N 1.125 124.109 122.820 0.273 0.000 1.930 209 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 209 A C 2.297 180.168 177.584 0.477 0.000 1.175 209 A CA 1.473 53.714 52.037 0.339 0.000 0.627 209 A CB -0.673 18.547 19.000 0.366 0.000 0.815 209 A HN 0.387 nan 8.150 nan 0.000 0.443 210 A N -0.102 123.027 122.820 0.514 0.000 1.933 210 A HA 0.176 4.496 4.320 -0.001 0.000 0.218 210 A C 2.468 180.270 177.584 0.363 0.000 1.175 210 A CA 1.952 54.180 52.037 0.318 0.000 0.628 210 A CB -0.920 18.071 19.000 -0.016 0.000 0.814 210 A HN 1.026 nan 8.150 nan 0.000 0.444 211 A N -0.292 122.683 122.820 0.259 0.000 1.933 211 A HA -0.004 4.316 4.320 -0.001 0.000 0.218 211 A C 2.142 179.804 177.584 0.131 0.000 1.175 211 A CA 1.417 53.556 52.037 0.171 0.000 0.628 211 A CB -0.530 18.541 19.000 0.117 0.000 0.814 211 A HN 0.476 nan 8.150 nan 0.000 0.444 212 L N -1.159 120.158 121.223 0.158 0.000 2.056 212 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 212 L C 2.514 179.466 176.870 0.138 0.000 1.078 212 L CA 0.993 55.907 54.840 0.122 0.000 0.749 212 L CB -0.516 41.613 42.059 0.118 0.000 0.901 212 L HN 0.451 nan 8.230 nan 0.000 0.433 213 L N 0.409 121.775 121.223 0.239 0.000 2.083 213 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 213 L C 2.633 179.594 176.870 0.151 0.000 1.083 213 L CA 1.964 56.965 54.840 0.268 0.000 0.752 213 L CB -0.715 41.613 42.059 0.448 0.000 0.899 213 L HN 0.152 nan 8.230 nan 0.000 0.433 214 A N -0.806 122.045 122.820 0.051 0.000 1.940 214 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 214 A C 2.159 179.635 177.584 -0.179 0.000 1.176 214 A CA 1.981 53.818 52.037 -0.333 0.000 0.631 214 A CB -0.578 18.109 19.000 -0.521 0.000 0.814 214 A HN 0.646 nan 8.150 nan 0.000 0.446 215 E N -0.310 119.846 120.200 -0.074 0.000 2.371 215 E HA 0.246 4.595 4.350 -0.001 0.000 0.194 215 E C 0.770 177.345 176.600 -0.041 0.000 1.012 215 E CA 0.114 56.480 56.400 -0.057 0.000 0.860 215 E CB -0.074 29.609 29.700 -0.029 0.000 0.811 215 E HN 0.581 nan 8.360 nan 0.000 0.502 216 A N 1.490 124.301 122.820 -0.014 0.000 2.450 216 A HA 0.068 4.388 4.320 -0.001 0.000 0.255 216 A C 0.759 178.314 177.584 -0.049 0.000 1.096 216 A CA -0.077 51.955 52.037 -0.008 0.000 0.778 216 A CB 0.529 19.553 19.000 0.039 0.000 1.031 216 A HN 0.028 nan 8.150 nan 0.000 0.494 217 K N 0.545 120.881 120.400 -0.108 0.000 2.067 217 K HA 0.012 4.332 4.320 -0.001 0.000 0.203 217 K C -0.219 176.199 176.600 -0.303 0.000 1.048 217 K CA 0.919 57.050 56.287 -0.259 0.000 0.954 217 K CB 0.046 32.318 32.500 -0.380 0.000 0.737 217 K HN 0.786 nan 8.250 nan 0.000 0.444 218 H N 0.574 119.662 119.070 0.030 0.000 2.423 218 H HA 0.268 4.824 4.556 -0.001 0.000 0.237 218 H C -2.582 172.755 175.328 0.015 0.000 1.391 218 H CA -2.600 53.470 56.048 0.037 0.000 1.453 218 H CB 0.626 30.388 29.762 -0.000 0.000 1.484 218 H HN 0.136 nan 8.280 nan 0.000 0.505 219 P HA 0.190 nan 4.420 nan 0.000 0.279 219 P C -0.036 177.314 177.300 0.084 0.000 1.252 219 P CA -0.507 62.651 63.100 0.096 0.000 0.811 219 P CB 2.213 33.979 31.700 0.109 0.000 1.035 220 V N -0.884 119.060 119.914 0.051 0.000 2.925 220 V HA 0.561 4.680 4.120 -0.001 0.000 0.311 220 V C -0.754 175.345 176.094 0.010 0.000 1.104 220 V CA -1.151 61.169 62.300 0.034 0.000 0.954 220 V CB 1.816 33.688 31.823 0.081 0.000 1.022 220 V HN 0.262 nan 8.190 nan 0.000 0.427 221 L N 3.462 124.685 121.223 0.000 0.000 2.264 221 L HA 0.623 4.962 4.340 -0.001 0.000 0.289 221 L C -0.549 176.328 176.870 0.012 0.000 1.044 221 L CA -0.709 54.130 54.840 -0.001 0.000 0.807 221 L CB 1.702 43.767 42.059 0.009 0.000 1.192 221 L HN 0.559 nan 8.230 nan 0.000 0.425 222 V N 4.950 124.865 119.914 0.001 0.000 2.328 222 V HA 0.315 4.434 4.120 -0.001 0.000 0.278 222 V C 0.104 176.229 176.094 0.053 0.000 1.021 222 V CA -0.558 61.772 62.300 0.050 0.000 0.838 222 V CB 1.763 33.608 31.823 0.038 0.000 0.999 222 V HN 0.412 nan 8.190 nan 0.000 0.447 223 V N 4.524 124.475 119.914 0.062 0.000 2.398 223 V HA 0.796 4.916 4.120 -0.001 0.000 0.286 223 V C 0.772 176.902 176.094 0.059 0.000 1.026 223 V CA -0.147 62.181 62.300 0.046 0.000 0.868 223 V CB 1.549 33.385 31.823 0.022 0.000 0.982 223 V HN 0.899 nan 8.190 nan 0.000 0.443 224 G N 2.171 111.001 108.800 0.049 0.000 2.552 224 G HA2 0.573 4.532 3.960 -0.001 0.000 0.324 224 G HA3 0.573 4.532 3.960 -0.001 0.000 0.324 224 G C 0.898 175.824 174.900 0.043 0.000 1.217 224 G CA -0.014 45.109 45.100 0.038 0.000 0.989 224 G HN 0.894 nan 8.290 nan 0.000 0.490 225 A N -0.304 122.560 122.820 0.073 0.000 1.978 225 A HA 0.117 4.437 4.320 -0.001 0.000 0.220 225 A C 2.663 180.317 177.584 0.116 0.000 1.170 225 A CA 2.565 54.692 52.037 0.150 0.000 0.636 225 A CB -0.783 18.352 19.000 0.223 0.000 0.810 225 A HN 1.395 nan 8.150 nan 0.000 0.448 226 A N -0.171 122.685 122.820 0.060 0.000 1.978 226 A HA 0.114 4.433 4.320 -0.001 0.000 0.220 226 A C 2.442 180.043 177.584 0.028 0.000 1.170 226 A CA 2.031 54.092 52.037 0.041 0.000 0.636 226 A CB -0.870 18.138 19.000 0.014 0.000 0.810 226 A HN 1.079 nan 8.150 nan 0.000 0.448 227 A N -0.030 122.800 122.820 0.016 0.000 1.933 227 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 227 A C 2.084 179.661 177.584 -0.012 0.000 1.175 227 A CA 1.466 53.504 52.037 0.002 0.000 0.628 227 A CB -0.545 18.455 19.000 -0.000 0.000 0.814 227 A HN 0.522 nan 8.150 nan 0.000 0.444 228 I N -0.959 119.591 120.570 -0.034 0.000 2.202 228 I HA -0.240 3.930 4.170 -0.001 0.000 0.242 228 I C 2.686 178.804 176.117 0.002 0.000 1.091 228 I CA 1.179 62.422 61.300 -0.096 0.000 1.368 228 I CB -0.414 37.386 38.000 -0.334 0.000 1.058 228 I HN 0.255 nan 8.210 nan 0.000 0.410 229 R N 0.191 120.741 120.500 0.083 0.000 2.105 229 R HA -0.167 4.172 4.340 -0.001 0.000 0.239 229 R C 2.419 178.749 176.300 0.050 0.000 1.135 229 R CA 1.633 57.792 56.100 0.099 0.000 0.967 229 R CB -0.509 29.849 30.300 0.098 0.000 0.861 229 R HN 0.249 nan 8.270 nan 0.000 0.442 230 S N -0.527 115.190 115.700 0.028 0.000 2.515 230 S HA -0.004 4.465 4.470 -0.001 0.000 0.231 230 S C 1.144 175.752 174.600 0.014 0.000 0.987 230 S CA 0.855 59.063 58.200 0.014 0.000 0.936 230 S CB -0.076 63.127 63.200 0.004 0.000 0.766 230 S HN 0.649 nan 8.310 nan 0.000 0.528 231 G N 0.234 109.041 108.800 0.011 0.000 2.176 231 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.252 231 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.252 231 G C 0.476 175.377 174.900 0.002 0.000 1.024 231 G CA 0.248 45.351 45.100 0.006 0.000 0.755 231 G HN 0.933 nan 8.290 nan 0.000 0.507 232 A N -0.886 121.934 122.820 -0.000 0.000 2.345 232 A HA 0.629 4.948 4.320 -0.001 0.000 0.225 232 A C 2.162 179.744 177.584 -0.002 0.000 1.243 232 A CA 1.339 53.381 52.037 0.009 0.000 0.875 232 A CB 0.149 19.164 19.000 0.026 0.000 0.929 232 A HN 0.903 nan 8.150 nan 0.000 0.502 233 V N 0.971 120.870 119.914 -0.024 0.000 2.307 233 V HA -0.136 3.983 4.120 -0.001 0.000 0.245 233 V C -0.150 175.929 176.094 -0.024 0.000 1.045 233 V CA 2.522 64.799 62.300 -0.038 0.000 1.024 233 V CB -1.204 30.576 31.823 -0.072 0.000 0.651 233 V HN 0.390 nan 8.190 nan 0.000 0.449 234 P HA -0.107 nan 4.420 nan 0.000 0.217 234 P C 1.638 178.939 177.300 0.002 0.000 1.150 234 P CA 1.827 64.924 63.100 -0.005 0.000 0.832 234 P CB -0.125 31.575 31.700 0.000 0.000 0.787 235 A N -0.607 122.217 122.820 0.008 0.000 1.873 235 A HA -0.158 4.161 4.320 -0.001 0.000 0.215 235 A C 2.207 179.804 177.584 0.023 0.000 1.186 235 A CA 1.374 53.421 52.037 0.016 0.000 0.616 235 A CB -1.569 17.445 19.000 0.023 0.000 0.823 235 A HN 0.096 nan 8.150 nan 0.000 0.442 236 I N -0.925 119.658 120.570 0.023 0.000 2.179 236 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 236 I C 2.706 178.828 176.117 0.009 0.000 1.088 236 I CA 1.750 63.067 61.300 0.028 0.000 1.357 236 I CB -0.304 37.709 38.000 0.022 0.000 1.051 236 I HN 0.386 nan 8.210 nan 0.000 0.409 237 R N 1.275 121.766 120.500 -0.014 0.000 2.083 237 R HA -0.213 4.126 4.340 -0.001 0.000 0.237 237 R C 2.351 178.654 176.300 0.004 0.000 1.137 237 R CA 1.811 57.891 56.100 -0.033 0.000 0.951 237 R CB -0.314 29.959 30.300 -0.045 0.000 0.851 237 R HN 0.362 nan 8.270 nan 0.000 0.434 238 A N 1.008 123.837 122.820 0.015 0.000 1.933 238 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 238 A C 2.060 179.659 177.584 0.026 0.000 1.175 238 A CA 1.335 53.386 52.037 0.023 0.000 0.628 238 A CB -0.589 18.420 19.000 0.015 0.000 0.814 238 A HN 0.422 nan 8.150 nan 0.000 0.444 239 L N -0.340 120.900 121.223 0.029 0.000 2.027 239 L HA -0.023 4.316 4.340 -0.001 0.000 0.206 239 L C 2.638 179.540 176.870 0.053 0.000 1.074 239 L CA 2.246 57.111 54.840 0.041 0.000 0.745 239 L CB -0.667 41.437 42.059 0.075 0.000 0.898 239 L HN 0.310 nan 8.230 nan 0.000 0.433 240 A N -0.922 121.926 122.820 0.047 0.000 1.930 240 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 240 A C 2.171 179.789 177.584 0.056 0.000 1.175 240 A CA 1.699 53.762 52.037 0.043 0.000 0.627 240 A CB -0.594 18.410 19.000 0.006 0.000 0.815 240 A HN 0.608 nan 8.150 nan 0.000 0.443 241 E N -0.783 119.456 120.200 0.066 0.000 2.047 241 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 241 E C 2.302 178.940 176.600 0.064 0.000 0.987 241 E CA 1.131 57.586 56.400 0.092 0.000 0.799 241 E CB -0.163 29.603 29.700 0.110 0.000 0.752 241 E HN 0.608 nan 8.360 nan 0.000 0.449 242 R N 0.790 121.318 120.500 0.046 0.000 2.083 242 R HA -0.123 4.217 4.340 -0.001 0.000 0.237 242 R C 1.933 178.260 176.300 0.045 0.000 1.137 242 R CA 1.270 57.390 56.100 0.035 0.000 0.951 242 R CB -0.096 30.212 30.300 0.014 0.000 0.851 242 R HN 0.162 nan 8.270 nan 0.000 0.434 243 L N 0.447 121.702 121.223 0.055 0.000 2.592 243 L HA 0.100 4.439 4.340 -0.001 0.000 0.227 243 L C 0.238 177.154 176.870 0.076 0.000 1.127 243 L CA -0.067 54.817 54.840 0.074 0.000 0.884 243 L CB -0.080 42.035 42.059 0.094 0.000 1.065 243 L HN 0.370 nan 8.230 nan 0.000 0.457 244 N N 1.107 119.846 118.700 0.066 0.000 2.740 244 N HA -0.217 4.523 4.740 -0.001 0.000 0.248 244 N C -0.548 174.988 175.510 0.044 0.000 1.062 244 N CA 0.453 53.539 53.050 0.060 0.000 0.704 244 N CB -1.244 37.281 38.487 0.064 0.000 0.968 244 N HN 0.313 nan 8.380 nan 0.000 0.547 245 I N 0.506 121.095 120.570 0.032 0.000 2.321 245 I HA 0.345 4.514 4.170 -0.001 0.000 0.291 245 I C -1.835 174.223 176.117 -0.097 0.000 0.998 245 I CA -2.076 59.224 61.300 0.001 0.000 1.227 245 I CB 1.323 39.353 38.000 0.051 0.000 1.368 245 I HN -0.010 nan 8.210 nan 0.000 0.466 246 P HA 0.047 nan 4.420 nan 0.000 0.267 246 P C -0.794 176.340 177.300 -0.277 0.000 1.200 246 P CA -0.074 62.694 63.100 -0.555 0.000 0.772 246 P CB 0.620 31.607 31.700 -1.189 0.000 0.855 247 V N 4.933 124.726 119.914 -0.202 0.000 2.409 247 V HA 0.395 4.515 4.120 -0.001 0.000 0.291 247 V C 0.296 176.391 176.094 0.002 0.000 1.020 247 V CA -0.332 61.926 62.300 -0.069 0.000 0.848 247 V CB 1.117 32.904 31.823 -0.060 0.000 0.990 247 V HN 0.385 nan 8.190 nan 0.000 0.430 248 I N 4.303 124.897 120.570 0.041 0.000 2.530 248 I HA 0.672 4.842 4.170 -0.001 0.000 0.297 248 I C 0.295 176.476 176.117 0.106 0.000 1.011 248 I CA -0.262 61.096 61.300 0.096 0.000 1.107 248 I CB 2.539 40.618 38.000 0.131 0.000 1.285 248 I HN 0.744 nan 8.210 nan 0.000 0.436 249 T N 0.117 114.743 114.554 0.119 0.000 2.916 249 T HA 0.589 4.938 4.350 -0.001 0.000 0.292 249 T C -0.002 174.794 174.700 0.160 0.000 1.064 249 T CA -0.728 61.445 62.100 0.120 0.000 1.011 249 T CB 1.706 70.633 68.868 0.097 0.000 1.152 249 T HN 0.656 nan 8.240 nan 0.000 0.510 250 T N 0.067 114.706 114.554 0.143 0.000 2.732 250 T HA 0.249 4.598 4.350 -0.001 0.000 0.287 250 T C 0.975 175.832 174.700 0.262 0.000 0.993 250 T CA -0.536 61.642 62.100 0.131 0.000 0.966 250 T CB -0.053 68.825 68.868 0.017 0.000 1.047 250 T HN 0.530 nan 8.240 nan 0.000 0.527 251 Y N 0.703 121.091 120.300 0.147 0.000 2.102 251 Y HA -0.109 4.441 4.550 -0.001 0.000 0.280 251 Y C 2.358 178.438 175.900 0.300 0.000 1.178 251 Y CA 1.248 59.477 58.100 0.217 0.000 1.146 251 Y CB -1.255 37.327 38.460 0.202 0.000 0.968 251 Y HN 0.694 nan 8.280 nan 0.000 0.504 252 I N -3.373 117.436 120.570 0.398 0.000 3.968 252 I HA 0.433 4.603 4.170 -0.001 0.000 0.328 252 I C 1.859 178.181 176.117 0.342 0.000 1.290 252 I CA 0.733 62.271 61.300 0.397 0.000 1.163 252 I CB -0.289 37.923 38.000 0.352 0.000 1.024 252 I HN -0.031 nan 8.210 nan 0.000 0.413 253 A N 1.273 124.229 122.820 0.227 0.000 2.206 253 A HA 0.109 4.428 4.320 -0.001 0.000 0.211 253 A C 1.064 178.701 177.584 0.089 0.000 1.158 253 A CA 0.028 52.127 52.037 0.104 0.000 0.761 253 A CB -0.455 18.591 19.000 0.077 0.000 0.801 253 A HN 0.402 nan 8.150 nan 0.000 0.473 254 K N -0.437 120.059 120.400 0.161 0.000 2.530 254 K HA 0.241 4.560 4.320 -0.001 0.000 0.280 254 K C 1.127 177.779 176.600 0.088 0.000 1.004 254 K CA 0.902 57.263 56.287 0.125 0.000 1.071 254 K CB -0.031 32.566 32.500 0.162 0.000 0.876 254 K HN 0.634 nan 8.250 nan 0.000 0.487 255 G N 0.922 109.747 108.800 0.043 0.000 2.159 255 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.227 255 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.227 255 G C 0.672 175.556 174.900 -0.026 0.000 0.986 255 G CA 0.167 45.279 45.100 0.020 0.000 0.651 255 G HN 0.536 nan 8.290 nan 0.000 0.523 256 V N -1.750 118.136 119.914 -0.045 0.000 2.626 256 V HA 0.380 4.499 4.120 -0.001 0.000 0.252 256 V C 1.297 177.341 176.094 -0.083 0.000 1.067 256 V CA 1.459 63.715 62.300 -0.073 0.000 1.081 256 V CB -0.331 31.448 31.823 -0.072 0.000 0.686 256 V HN 0.443 nan 8.190 nan 0.000 0.468 257 L N 0.747 121.919 121.223 -0.086 0.000 2.346 257 L HA 0.580 4.919 4.340 -0.001 0.000 0.274 257 L C -2.476 174.377 176.870 -0.028 0.000 1.007 257 L CA -2.188 52.571 54.840 -0.135 0.000 0.818 257 L CB 1.970 43.861 42.059 -0.281 0.000 1.284 257 L HN -0.003 nan 8.230 nan 0.000 0.424 258 P HA 0.033 nan 4.420 nan 0.000 0.270 258 P C -0.514 176.838 177.300 0.087 0.000 1.223 258 P CA -0.398 62.742 63.100 0.067 0.000 0.785 258 P CB 0.452 32.209 31.700 0.096 0.000 0.923 259 V N 1.635 121.587 119.914 0.064 0.000 2.617 259 V HA 0.226 4.346 4.120 -0.001 0.000 0.304 259 V C 1.725 177.860 176.094 0.069 0.000 1.040 259 V CA 1.920 64.256 62.300 0.059 0.000 1.149 259 V CB -0.569 31.279 31.823 0.043 0.000 0.914 259 V HN 1.047 nan 8.190 nan 0.000 0.487 260 G N 2.665 111.506 108.800 0.069 0.000 2.176 260 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.253 260 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.253 260 G C 0.365 175.309 174.900 0.074 0.000 0.979 260 G CA 0.287 45.420 45.100 0.056 0.000 0.641 260 G HN 0.934 nan 8.290 nan 0.000 0.530 261 H N 1.975 121.060 119.070 0.025 0.000 2.928 261 H HA 0.191 4.747 4.556 -0.001 0.000 0.338 261 H C 1.862 177.220 175.328 0.049 0.000 1.047 261 H CA 1.105 57.172 56.048 0.033 0.000 1.435 261 H CB 0.729 30.510 29.762 0.033 0.000 1.428 261 H HN 0.662 nan 8.280 nan 0.000 0.590 262 E N 4.123 124.357 120.200 0.056 0.000 2.274 262 E HA -0.085 4.265 4.350 -0.001 0.000 0.194 262 E C 1.192 177.977 176.600 0.309 0.000 0.996 262 E CA 0.626 57.104 56.400 0.130 0.000 0.840 262 E CB 0.081 29.797 29.700 0.027 0.000 0.772 262 E HN 0.576 nan 8.360 nan 0.000 0.491 263 L N 1.048 122.548 121.223 0.460 0.000 2.591 263 L HA 0.109 4.448 4.340 -0.001 0.000 0.228 263 L C 1.005 178.004 176.870 0.216 0.000 1.133 263 L CA -0.311 54.687 54.840 0.264 0.000 0.880 263 L CB -0.258 41.896 42.059 0.158 0.000 1.033 263 L HN 0.084 nan 8.230 nan 0.000 0.450 264 N N 0.230 119.099 118.700 0.281 0.000 2.466 264 N HA -0.070 4.669 4.740 -0.001 0.000 0.263 264 N C 0.212 175.888 175.510 0.277 0.000 1.178 264 N CA 0.118 53.282 53.050 0.190 0.000 0.983 264 N CB 0.329 38.895 38.487 0.133 0.000 1.331 264 N HN 0.067 nan 8.380 nan 0.000 0.500 265 Y N 1.752 122.033 120.300 -0.031 0.000 2.490 265 Y HA 0.247 4.797 4.550 -0.001 0.000 0.281 265 Y C 1.701 177.560 175.900 -0.069 0.000 1.174 265 Y CA 0.251 58.311 58.100 -0.066 0.000 1.295 265 Y CB -0.269 38.136 38.460 -0.091 0.000 1.062 265 Y HN 0.632 nan 8.280 nan 0.000 0.522 266 G N 0.011 108.862 108.800 0.084 0.000 2.685 266 G HA2 0.149 4.109 3.960 -0.001 0.000 0.387 266 G HA3 0.149 4.109 3.960 -0.001 0.000 0.387 266 G C -0.667 174.256 174.900 0.039 0.000 1.324 266 G CA -0.712 44.398 45.100 0.015 0.000 0.878 266 G HN 0.511 nan 8.290 nan 0.000 0.527 267 A N -1.173 121.657 122.820 0.017 0.000 2.294 267 A HA 0.858 5.177 4.320 -0.001 0.000 0.330 267 A C 0.178 177.825 177.584 0.104 0.000 1.133 267 A CA -0.011 52.075 52.037 0.083 0.000 0.836 267 A CB 1.685 20.738 19.000 0.087 0.000 1.190 267 A HN 1.881 nan 8.150 nan 0.000 0.492 268 V N 0.895 120.931 119.914 0.204 0.000 2.427 268 V HA 0.656 4.775 4.120 -0.001 0.000 0.286 268 V C 0.419 176.707 176.094 0.324 0.000 1.034 268 V CA -0.106 62.338 62.300 0.241 0.000 0.893 268 V CB 1.470 33.488 31.823 0.324 0.000 0.982 268 V HN 1.010 nan 8.190 nan 0.000 0.452 269 T N 2.513 117.226 114.554 0.265 0.000 2.893 269 T HA 0.513 4.862 4.350 -0.001 0.000 0.293 269 T C 1.115 175.945 174.700 0.217 0.000 1.027 269 T CA 0.240 62.558 62.100 0.364 0.000 0.988 269 T CB 1.687 70.761 68.868 0.343 0.000 1.043 269 T HN 0.821 nan 8.240 nan 0.000 0.461 270 G N 1.575 110.481 108.800 0.177 0.000 2.498 270 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.219 270 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.219 270 G C 0.624 175.457 174.900 -0.112 0.000 1.119 270 G CA 0.605 45.693 45.100 -0.020 0.000 0.766 270 G HN 0.806 nan 8.290 nan 0.000 0.552 271 Y N 0.575 120.867 120.300 -0.014 0.000 2.490 271 Y HA 0.150 4.700 4.550 -0.001 0.000 0.281 271 Y C 2.800 178.684 175.900 -0.028 0.000 1.174 271 Y CA 0.445 58.596 58.100 0.084 0.000 1.295 271 Y CB -0.184 38.294 38.460 0.031 0.000 1.062 271 Y HN 0.263 nan 8.280 nan 0.000 0.522 272 M N -1.031 118.591 119.600 0.038 0.000 2.117 272 M HA -0.166 4.313 4.480 -0.001 0.000 0.262 272 M C 0.940 177.157 176.300 -0.139 0.000 1.065 272 M CA 2.100 57.346 55.300 -0.089 0.000 1.114 272 M CB -0.442 32.110 32.600 -0.080 0.000 1.361 272 M HN -0.038 nan 8.290 nan 0.000 0.408 273 D N 1.213 121.536 120.400 -0.128 0.000 2.144 273 D HA -0.052 4.587 4.640 -0.001 0.000 0.199 273 D C 2.310 178.440 176.300 -0.283 0.000 0.984 273 D CA 1.835 55.745 54.000 -0.150 0.000 0.834 273 D CB -0.687 40.029 40.800 -0.140 0.000 0.955 273 D HN 0.635 nan 8.370 nan 0.000 0.465 274 G N 0.401 108.850 108.800 -0.586 0.000 2.403 274 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.216 274 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.216 274 G C 1.771 176.431 174.900 -0.400 0.000 1.154 274 G CA 0.173 44.588 45.100 -1.142 0.000 0.784 274 G HN 0.247 nan 8.290 nan 0.000 0.538 275 I N 0.215 120.703 120.570 -0.137 0.000 2.202 275 I HA -0.047 4.123 4.170 -0.001 0.000 0.242 275 I C 2.434 178.462 176.117 -0.147 0.000 1.091 275 I CA 0.782 62.059 61.300 -0.038 0.000 1.368 275 I CB -0.061 37.727 38.000 -0.353 0.000 1.058 275 I HN 0.087 nan 8.210 nan 0.000 0.410 276 L N 0.132 121.194 121.223 -0.269 0.000 2.492 276 L HA 0.006 4.346 4.340 -0.001 0.000 0.223 276 L C 0.538 177.446 176.870 0.063 0.000 1.132 276 L CA 0.086 54.720 54.840 -0.343 0.000 0.850 276 L CB -0.527 41.328 42.059 -0.341 0.000 0.966 276 L HN 0.393 nan 8.230 nan 0.000 0.454 277 N N 0.409 119.155 118.700 0.077 0.000 2.696 277 N HA -0.299 4.440 4.740 -0.001 0.000 0.256 277 N C -0.869 174.771 175.510 0.218 0.000 1.031 277 N CA 0.499 53.628 53.050 0.131 0.000 0.730 277 N CB -1.054 37.556 38.487 0.204 0.000 0.894 277 N HN 0.266 nan 8.380 nan 0.000 0.544 278 F N 0.038 119.959 119.950 -0.049 0.000 2.672 278 F HA 0.420 4.946 4.527 -0.001 0.000 0.311 278 F C -2.337 173.426 175.800 -0.061 0.000 1.113 278 F CA -1.585 56.391 58.000 -0.039 0.000 0.996 278 F CB 1.532 40.507 39.000 -0.041 0.000 1.286 278 F HN -0.019 nan 8.300 nan 0.000 0.441 279 P HA 0.191 nan 4.420 nan 0.000 0.235 279 P C 0.003 177.174 177.300 -0.215 0.000 1.765 279 P CA 0.448 63.324 63.100 -0.375 0.000 1.034 279 P CB 0.293 31.747 31.700 -0.411 0.000 1.984 280 A N 2.260 125.120 122.820 0.067 0.000 1.898 280 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 280 A C 2.089 179.730 177.584 0.094 0.000 1.181 280 A CA 1.099 53.253 52.037 0.196 0.000 0.620 280 A CB -1.066 18.022 19.000 0.147 0.000 0.819 280 A HN 0.340 nan 8.150 nan 0.000 0.442 281 L N -1.244 120.032 121.223 0.089 0.000 2.056 281 L HA -0.204 4.136 4.340 -0.001 0.000 0.207 281 L C 2.845 179.836 176.870 0.202 0.000 1.078 281 L CA 1.619 56.572 54.840 0.189 0.000 0.749 281 L CB -0.431 41.745 42.059 0.195 0.000 0.901 281 L HN 0.473 nan 8.230 nan 0.000 0.433 282 Q N -0.125 119.731 119.800 0.094 0.000 2.061 282 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 282 Q C 2.055 178.093 176.000 0.064 0.000 0.984 282 Q CA 2.631 58.474 55.803 0.067 0.000 0.846 282 Q CB -0.273 28.456 28.738 -0.016 0.000 0.902 282 Q HN 0.385 nan 8.270 nan 0.000 0.421 283 T N 0.315 114.890 114.554 0.035 0.000 2.684 283 T HA -0.219 4.130 4.350 -0.001 0.000 0.267 283 T C 1.699 176.441 174.700 0.070 0.000 1.036 283 T CA 1.638 63.774 62.100 0.060 0.000 1.148 283 T CB -0.333 68.610 68.868 0.125 0.000 0.863 283 T HN 0.365 nan 8.240 nan 0.000 0.436 284 M N -0.449 119.149 119.600 -0.003 0.000 2.117 284 M HA -0.042 4.437 4.480 -0.001 0.000 0.262 284 M C 1.059 177.233 176.300 -0.209 0.000 1.065 284 M CA 1.898 57.093 55.300 -0.175 0.000 1.114 284 M CB -0.003 32.315 32.600 -0.471 0.000 1.361 284 M HN 0.239 nan 8.290 nan 0.000 0.408 285 F N -1.610 118.422 119.950 0.138 0.000 2.752 285 F HA 0.386 4.912 4.527 -0.001 0.000 0.310 285 F C 2.106 177.916 175.800 0.017 0.000 1.097 285 F CA 0.265 58.312 58.000 0.077 0.000 1.238 285 F CB -0.851 38.228 39.000 0.133 0.000 1.061 285 F HN 0.083 nan 8.300 nan 0.000 0.591 286 A N 1.654 124.581 122.820 0.179 0.000 1.903 286 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 286 A C -0.386 177.237 177.584 0.065 0.000 1.191 286 A CA 2.087 54.189 52.037 0.108 0.000 0.638 286 A CB -2.044 17.000 19.000 0.073 0.000 0.823 286 A HN 0.204 nan 8.150 nan 0.000 0.451 287 P HA 0.165 nan 4.420 nan 0.000 0.249 287 P C -0.119 177.179 177.300 -0.003 0.000 1.229 287 P CA 0.204 63.313 63.100 0.015 0.000 0.788 287 P CB -0.100 31.599 31.700 -0.001 0.000 1.072 288 V N 3.191 123.061 119.914 -0.073 0.000 2.572 288 V HA 0.021 4.140 4.120 -0.001 0.000 0.291 288 V C 1.439 177.559 176.094 0.042 0.000 1.039 288 V CA 0.621 62.893 62.300 -0.047 0.000 1.055 288 V CB 0.772 32.587 31.823 -0.012 0.000 0.969 288 V HN 0.158 nan 8.190 nan 0.000 0.482 289 D N 3.148 123.577 120.400 0.049 0.000 2.407 289 D HA 0.165 4.805 4.640 -0.001 0.000 0.208 289 D C -0.055 176.261 176.300 0.026 0.000 1.083 289 D CA -0.047 53.977 54.000 0.039 0.000 0.844 289 D CB 0.682 41.499 40.800 0.029 0.000 0.967 289 D HN 0.327 nan 8.370 nan 0.000 0.506 290 L N 0.818 122.052 121.223 0.018 0.000 2.516 290 L HA 0.453 4.793 4.340 -0.001 0.000 0.267 290 L C -1.859 174.982 176.870 -0.048 0.000 0.957 290 L CA -0.838 54.000 54.840 -0.002 0.000 0.860 290 L CB 2.350 44.429 42.059 0.034 0.000 1.265 290 L HN -0.191 nan 8.230 nan 0.000 0.403 291 V N 6.260 126.083 119.914 -0.151 0.000 2.334 291 V HA 0.466 4.585 4.120 -0.001 0.000 0.281 291 V C -0.438 175.493 176.094 -0.271 0.000 1.016 291 V CA -0.399 61.726 62.300 -0.292 0.000 0.832 291 V CB 1.378 32.769 31.823 -0.721 0.000 0.999 291 V HN 0.559 nan 8.190 nan 0.000 0.439 292 L N 5.092 126.208 121.223 -0.179 0.000 2.264 292 L HA 0.453 4.792 4.340 -0.001 0.000 0.287 292 L C 0.774 177.534 176.870 -0.183 0.000 1.039 292 L CA -0.036 54.705 54.840 -0.164 0.000 0.829 292 L CB 1.502 43.502 42.059 -0.098 0.000 1.211 292 L HN 0.765 nan 8.230 nan 0.000 0.427 293 T N 0.482 114.913 114.554 -0.206 0.000 2.794 293 T HA 0.493 4.843 4.350 -0.001 0.000 0.304 293 T C -0.052 174.622 174.700 -0.043 0.000 0.973 293 T CA -0.692 61.342 62.100 -0.111 0.000 0.972 293 T CB 0.386 69.168 68.868 -0.143 0.000 0.952 293 T HN 0.150 nan 8.240 nan 0.000 0.509 294 V N 3.741 123.635 119.914 -0.033 0.000 2.348 294 V HA 0.623 4.743 4.120 -0.001 0.000 0.270 294 V C 1.342 177.434 176.094 -0.003 0.000 1.037 294 V CA -0.021 62.239 62.300 -0.067 0.000 0.872 294 V CB 0.092 31.893 31.823 -0.038 0.000 1.002 294 V HN 1.321 nan 8.190 nan 0.000 0.464 295 G N 3.904 112.694 108.800 -0.017 0.000 2.289 295 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.280 295 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.280 295 G C -0.249 174.691 174.900 0.067 0.000 1.089 295 G CA -0.017 45.091 45.100 0.014 0.000 0.939 295 G HN 0.902 nan 8.290 nan 0.000 0.499 296 Y N 0.907 121.210 120.300 0.005 0.000 2.511 296 Y HA 0.474 5.024 4.550 -0.001 0.000 0.332 296 Y C 0.186 176.136 175.900 0.083 0.000 1.177 296 Y CA 0.179 58.319 58.100 0.066 0.000 1.422 296 Y CB 1.188 39.735 38.460 0.145 0.000 1.271 296 Y HN 0.250 nan 8.280 nan 0.000 0.550 297 D N 4.673 124.644 120.400 -0.714 0.000 2.616 297 D HA 0.024 4.663 4.640 -0.001 0.000 0.238 297 D C -0.161 175.769 176.300 -0.617 0.000 1.354 297 D CA -0.514 53.218 54.000 -0.447 0.000 0.970 297 D CB 0.297 40.978 40.800 -0.198 0.000 1.369 297 D HN 0.557 nan 8.370 nan 0.000 0.585 298 Y N 3.731 123.716 120.300 -0.525 0.000 2.241 298 Y HA -0.140 4.409 4.550 -0.001 0.000 0.286 298 Y C 1.935 177.717 175.900 -0.196 0.000 1.166 298 Y CA 2.195 60.133 58.100 -0.270 0.000 1.203 298 Y CB -0.194 38.270 38.460 0.007 0.000 0.977 298 Y HN 0.535 nan 8.280 nan 0.000 0.529 299 A N -0.032 122.688 122.820 -0.167 0.000 2.019 299 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 299 A C 2.009 179.441 177.584 -0.253 0.000 1.164 299 A CA 1.664 53.577 52.037 -0.208 0.000 0.644 299 A CB -0.632 18.302 19.000 -0.111 0.000 0.805 299 A HN 0.621 nan 8.150 nan 0.000 0.449 300 E N -1.236 118.800 120.200 -0.274 0.000 2.472 300 E HA -0.104 4.246 4.350 -0.001 0.000 0.200 300 E C 0.159 176.514 176.600 -0.408 0.000 1.046 300 E CA 0.452 56.662 56.400 -0.317 0.000 0.871 300 E CB -0.061 29.477 29.700 -0.270 0.000 0.806 300 E HN 0.520 nan 8.360 nan 0.000 0.533 301 D N -0.294 119.897 120.400 -0.349 0.000 3.068 301 D HA -0.193 4.447 4.640 -0.001 0.000 0.218 301 D C -0.814 175.382 176.300 -0.173 0.000 1.145 301 D CA 0.384 54.209 54.000 -0.292 0.000 0.896 301 D CB -1.222 39.447 40.800 -0.219 0.000 1.105 301 D HN 0.196 nan 8.370 nan 0.000 0.423 302 L N 1.259 122.418 121.223 -0.106 0.000 2.288 302 L HA 0.374 4.713 4.340 -0.001 0.000 0.283 302 L C 0.501 177.467 176.870 0.160 0.000 1.072 302 L CA -0.500 54.383 54.840 0.072 0.000 0.862 302 L CB 0.181 42.342 42.059 0.171 0.000 1.245 302 L HN -0.062 nan 8.230 nan 0.000 0.432 303 R N 4.691 125.196 120.500 0.009 0.000 2.457 303 R HA 0.311 4.650 4.340 -0.001 0.000 0.284 303 R C -1.701 174.260 176.300 -0.564 0.000 1.024 303 R CA -1.679 54.382 56.100 -0.065 0.000 1.025 303 R CB 0.744 31.017 30.300 -0.046 0.000 1.063 303 R HN 0.346 nan 8.270 nan 0.000 0.493 304 P HA -0.272 nan 4.420 nan 0.000 0.216 304 P C 1.231 177.702 177.300 -1.382 0.000 1.154 304 P CA 1.736 63.669 63.100 -1.946 0.000 0.865 304 P CB 0.143 31.197 31.700 -1.077 0.000 0.789 305 S N -1.508 113.780 115.700 -0.687 0.000 2.402 305 S HA -0.229 4.241 4.470 -0.001 0.000 0.233 305 S C 1.907 176.262 174.600 -0.408 0.000 1.030 305 S CA 1.527 59.462 58.200 -0.441 0.000 1.003 305 S CB -1.427 61.623 63.200 -0.251 0.000 0.813 305 S HN 0.092 nan 8.310 nan 0.000 0.477 306 M N 0.131 119.479 119.600 -0.421 0.000 2.229 306 M HA 0.052 4.532 4.480 -0.001 0.000 0.264 306 M C 1.995 178.114 176.300 -0.302 0.000 1.063 306 M CA 1.626 56.784 55.300 -0.237 0.000 1.114 306 M CB -0.404 32.139 32.600 -0.097 0.000 1.387 306 M HN 0.810 nan 8.290 nan 0.000 0.420 307 W N -0.016 120.939 121.300 -0.575 0.000 3.197 307 W HA 0.203 4.862 4.660 -0.001 0.000 0.274 307 W C 0.027 176.254 176.519 -0.487 0.000 1.297 307 W CA -0.310 56.377 57.345 -1.097 0.000 1.662 307 W CB -0.797 27.843 29.460 -1.367 0.000 1.106 307 W HN 0.016 nan 8.180 nan 0.000 0.663 308 Q N 2.575 122.184 119.800 -0.317 0.000 3.026 308 Q HA 0.138 4.477 4.340 -0.001 0.000 0.258 308 Q C -0.315 175.663 176.000 -0.037 0.000 1.388 308 Q CA 0.432 56.161 55.803 -0.123 0.000 1.000 308 Q CB -0.024 28.579 28.738 -0.224 0.000 1.634 308 Q HN -0.058 nan 8.270 nan 0.000 0.571 309 K N 0.385 120.817 120.400 0.053 0.000 2.371 309 K HA 0.590 4.909 4.320 -0.001 0.000 0.251 309 K C 0.443 177.096 176.600 0.089 0.000 0.934 309 K CA -0.040 56.294 56.287 0.078 0.000 0.798 309 K CB 2.077 34.667 32.500 0.150 0.000 1.204 309 K HN 0.490 nan 8.250 nan 0.000 0.427 310 G N 2.601 111.435 108.800 0.057 0.000 2.536 310 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.280 310 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.280 310 G C 0.216 175.145 174.900 0.047 0.000 1.152 310 G CA 0.175 45.306 45.100 0.051 0.000 0.970 310 G HN 0.768 nan 8.290 nan 0.000 0.549 311 I N 0.177 120.779 120.570 0.054 0.000 2.882 311 I HA 0.605 4.774 4.170 -0.001 0.000 0.286 311 I C 0.492 176.641 176.117 0.054 0.000 1.139 311 I CA -0.465 60.863 61.300 0.048 0.000 1.379 311 I CB 0.495 38.523 38.000 0.048 0.000 1.410 311 I HN 0.593 nan 8.210 nan 0.000 0.594 312 E N 3.435 123.661 120.200 0.044 0.000 2.414 312 E HA 0.156 4.505 4.350 -0.001 0.000 0.263 312 E C -0.884 175.750 176.600 0.056 0.000 1.000 312 E CA 0.026 56.455 56.400 0.048 0.000 0.914 312 E CB 0.730 30.451 29.700 0.035 0.000 0.948 312 E HN 0.459 nan 8.360 nan 0.000 0.444 313 K N 2.191 122.635 120.400 0.074 0.000 2.259 313 K HA 0.321 4.640 4.320 -0.001 0.000 0.249 313 K C -0.576 176.060 176.600 0.060 0.000 0.942 313 K CA -0.867 55.460 56.287 0.067 0.000 0.816 313 K CB 1.492 34.042 32.500 0.084 0.000 1.155 313 K HN 0.135 nan 8.250 nan 0.000 0.428 314 K N 1.448 121.869 120.400 0.035 0.000 2.144 314 K HA 0.306 4.625 4.320 -0.001 0.000 0.270 314 K C -0.274 176.326 176.600 0.001 0.000 1.005 314 K CA -0.386 55.919 56.287 0.029 0.000 0.932 314 K CB 1.499 34.014 32.500 0.026 0.000 1.021 314 K HN 0.814 nan 8.250 nan 0.000 0.462 315 T N -2.126 112.436 114.554 0.014 0.000 2.863 315 T HA 0.539 4.888 4.350 -0.001 0.000 0.285 315 T C -0.336 174.342 174.700 -0.038 0.000 1.009 315 T CA -0.870 61.217 62.100 -0.022 0.000 0.989 315 T CB 1.462 70.406 68.868 0.127 0.000 1.004 315 T HN 0.138 nan 8.240 nan 0.000 0.455 316 V N 2.515 122.380 119.914 -0.082 0.000 2.444 316 V HA 0.575 4.694 4.120 -0.001 0.000 0.294 316 V C 0.082 176.088 176.094 -0.146 0.000 1.022 316 V CA -0.971 61.264 62.300 -0.109 0.000 0.850 316 V CB 1.579 33.342 31.823 -0.101 0.000 0.992 316 V HN 0.969 nan 8.190 nan 0.000 0.426 317 R N 4.529 124.927 120.500 -0.171 0.000 2.255 317 R HA 0.710 5.050 4.340 -0.001 0.000 0.326 317 R C -1.490 174.676 176.300 -0.224 0.000 0.986 317 R CA -0.527 55.484 56.100 -0.149 0.000 0.847 317 R CB 0.964 31.132 30.300 -0.219 0.000 1.111 317 R HN 0.655 nan 8.270 nan 0.000 0.452 318 I N 2.755 123.167 120.570 -0.262 0.000 2.389 318 I HA 0.338 4.508 4.170 -0.001 0.000 0.288 318 I C -0.428 175.578 176.117 -0.186 0.000 0.999 318 I CA -0.087 60.987 61.300 -0.377 0.000 1.129 318 I CB 2.022 39.551 38.000 -0.785 0.000 1.288 318 I HN 0.517 nan 8.210 nan 0.000 0.444 319 S N 6.500 122.111 115.700 -0.150 0.000 2.537 319 S HA 0.552 5.021 4.470 -0.001 0.000 0.271 319 S C -2.641 171.902 174.600 -0.096 0.000 1.148 319 S CA -1.021 57.134 58.200 -0.075 0.000 0.868 319 S CB 2.012 65.216 63.200 0.006 0.000 1.115 319 S HN 0.371 nan 8.310 nan 0.000 0.461 320 P HA 0.196 nan 4.420 nan 0.000 0.258 320 P C -0.244 177.025 177.300 -0.051 0.000 1.559 320 P CA 0.129 63.179 63.100 -0.084 0.000 0.855 320 P CB -0.924 30.734 31.700 -0.069 0.000 1.594 321 T N -4.281 110.250 114.554 -0.038 0.000 2.932 321 T HA 0.339 4.689 4.350 -0.001 0.000 0.318 321 T C -0.410 174.281 174.700 -0.015 0.000 1.265 321 T CA -0.732 61.358 62.100 -0.017 0.000 1.036 321 T CB 1.148 70.017 68.868 0.002 0.000 1.209 321 T HN -0.235 nan 8.240 nan 0.000 0.484 322 V N 3.017 122.924 119.914 -0.011 0.000 2.673 322 V HA 0.170 4.289 4.120 -0.001 0.000 0.303 322 V C 1.109 177.200 176.094 -0.005 0.000 1.046 322 V CA -0.462 61.831 62.300 -0.013 0.000 1.126 322 V CB 0.216 32.034 31.823 -0.009 0.000 0.934 322 V HN 1.010 nan 8.190 nan 0.000 0.487 323 N N 7.301 125.990 118.700 -0.018 0.000 2.386 323 N HA 0.025 4.764 4.740 -0.001 0.000 0.273 323 N C -1.103 174.405 175.510 -0.004 0.000 1.331 323 N CA -1.220 51.823 53.050 -0.011 0.000 0.891 323 N CB 0.891 39.335 38.487 -0.072 0.000 1.139 323 N HN 0.426 nan 8.380 nan 0.000 0.487 324 P HA 0.088 nan 4.420 nan 0.000 0.251 324 P C 0.203 177.499 177.300 -0.006 0.000 1.223 324 P CA 0.551 63.659 63.100 0.013 0.000 0.796 324 P CB -0.068 31.653 31.700 0.035 0.000 1.068 325 I N -3.563 116.991 120.570 -0.027 0.000 2.998 325 I HA 0.413 4.582 4.170 -0.001 0.000 0.338 325 I C -1.930 174.134 176.117 -0.088 0.000 1.413 325 I CA -2.471 58.774 61.300 -0.091 0.000 0.880 325 I CB 1.146 38.996 38.000 -0.250 0.000 2.051 325 I HN -0.330 nan 8.210 nan 0.000 0.561 326 P HA -0.165 nan 4.420 nan 0.000 0.225 326 P C 1.487 178.750 177.300 -0.062 0.000 1.148 326 P CA 1.033 64.091 63.100 -0.070 0.000 0.779 326 P CB 0.124 31.786 31.700 -0.063 0.000 0.780 327 R N 0.241 120.703 120.500 -0.063 0.000 2.120 327 R HA -0.064 4.275 4.340 -0.001 0.000 0.234 327 R C 1.671 177.929 176.300 -0.069 0.000 1.123 327 R CA 1.403 57.469 56.100 -0.058 0.000 0.975 327 R CB -0.252 30.017 30.300 -0.052 0.000 0.866 327 R HN 0.051 nan 8.270 nan 0.000 0.446 328 V N -1.122 118.728 119.914 -0.106 0.000 2.922 328 V HA 0.053 4.173 4.120 -0.001 0.000 0.242 328 V C -0.205 175.863 176.094 -0.044 0.000 1.094 328 V CA 0.402 62.621 62.300 -0.134 0.000 1.106 328 V CB 0.179 31.803 31.823 -0.333 0.000 0.799 328 V HN 0.208 nan 8.190 nan 0.000 0.474 329 Y N 1.755 121.943 120.300 -0.188 0.000 2.327 329 Y HA 0.584 5.133 4.550 -0.001 0.000 0.325 329 Y C -0.207 175.637 175.900 -0.093 0.000 0.999 329 Y CA -1.911 56.105 58.100 -0.139 0.000 1.195 329 Y CB 0.983 39.350 38.460 -0.155 0.000 1.132 329 Y HN 0.020 nan 8.280 nan 0.000 0.455 330 R N 7.391 127.863 120.500 -0.047 0.000 2.402 330 R HA 0.330 4.669 4.340 -0.001 0.000 0.290 330 R C -2.602 173.569 176.300 -0.214 0.000 1.321 330 R CA -1.717 54.278 56.100 -0.175 0.000 1.283 330 R CB 0.953 31.209 30.300 -0.072 0.000 1.111 330 R HN 0.458 nan 8.270 nan 0.000 0.578 331 P HA 0.006 nan 4.420 nan 0.000 0.269 331 P C -0.061 177.153 177.300 -0.143 0.000 1.209 331 P CA -0.131 62.772 63.100 -0.329 0.000 0.776 331 P CB 1.135 32.519 31.700 -0.526 0.000 0.876 332 D N 0.097 120.463 120.400 -0.057 0.000 2.123 332 D HA -0.053 4.586 4.640 -0.001 0.000 0.196 332 D C 0.404 176.681 176.300 -0.039 0.000 0.992 332 D CA 1.479 55.461 54.000 -0.031 0.000 0.833 332 D CB 0.235 41.035 40.800 0.001 0.000 0.954 332 D HN 0.135 nan 8.370 nan 0.000 0.455 333 V N 1.052 120.935 119.914 -0.052 0.000 2.588 333 V HA 0.211 4.330 4.120 -0.001 0.000 0.304 333 V C -0.674 175.365 176.094 -0.091 0.000 1.042 333 V CA -0.877 61.399 62.300 -0.040 0.000 0.877 333 V CB 2.391 34.220 31.823 0.010 0.000 0.996 333 V HN -0.123 nan 8.190 nan 0.000 0.425 334 D N 3.196 123.548 120.400 -0.082 0.000 2.440 334 D HA 0.470 5.110 4.640 -0.001 0.000 0.239 334 D C -0.822 175.445 176.300 -0.055 0.000 1.084 334 D CA -0.139 53.795 54.000 -0.109 0.000 0.843 334 D CB 1.964 42.692 40.800 -0.119 0.000 1.097 334 D HN 0.280 nan 8.370 nan 0.000 0.531 335 V N 4.346 124.206 119.914 -0.090 0.000 2.294 335 V HA 0.252 4.372 4.120 -0.001 0.000 0.272 335 V C 0.340 176.378 176.094 -0.093 0.000 1.027 335 V CA -0.862 61.416 62.300 -0.036 0.000 0.823 335 V CB 1.348 33.127 31.823 -0.074 0.000 1.030 335 V HN 0.312 nan 8.190 nan 0.000 0.457 336 V N 4.992 124.883 119.914 -0.039 0.000 2.339 336 V HA 0.617 4.737 4.120 -0.001 0.000 0.261 336 V C 0.356 176.335 176.094 -0.193 0.000 1.058 336 V CA 0.538 62.785 62.300 -0.089 0.000 0.897 336 V CB 0.788 32.588 31.823 -0.038 0.000 1.052 336 V HN 1.018 nan 8.190 nan 0.000 0.480 337 T N 2.707 117.080 114.554 -0.302 0.000 2.686 337 T HA 0.197 4.546 4.350 -0.001 0.000 0.308 337 T C -1.525 172.953 174.700 -0.369 0.000 1.667 337 T CA -0.703 61.080 62.100 -0.529 0.000 0.987 337 T CB 1.630 69.737 68.868 -1.269 0.000 1.652 337 T HN 0.686 nan 8.240 nan 0.000 0.496 338 D N 0.908 121.090 120.400 -0.363 0.000 2.455 338 D HA 0.211 4.850 4.640 -0.001 0.000 0.241 338 D C 1.580 177.785 176.300 -0.158 0.000 1.138 338 D CA 0.252 54.130 54.000 -0.204 0.000 0.877 338 D CB 0.879 41.587 40.800 -0.154 0.000 1.187 338 D HN 0.262 nan 8.370 nan 0.000 0.451 339 V N 3.947 123.817 119.914 -0.075 0.000 2.287 339 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 339 V C 2.259 178.396 176.094 0.071 0.000 1.053 339 V CA 1.381 63.681 62.300 0.001 0.000 1.027 339 V CB -0.743 31.080 31.823 0.001 0.000 0.646 339 V HN 0.604 nan 8.190 nan 0.000 0.447 340 L N 0.868 122.109 121.223 0.030 0.000 2.079 340 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 340 L C 2.441 179.344 176.870 0.055 0.000 1.081 340 L CA 2.301 57.167 54.840 0.044 0.000 0.752 340 L CB -1.064 41.011 42.059 0.026 0.000 0.896 340 L HN 0.243 nan 8.230 nan 0.000 0.433 341 A N -0.886 121.942 122.820 0.013 0.000 1.877 341 A HA -0.275 4.044 4.320 -0.001 0.000 0.216 341 A C 2.279 179.940 177.584 0.129 0.000 1.186 341 A CA 1.842 53.897 52.037 0.030 0.000 0.620 341 A CB -1.198 17.717 19.000 -0.141 0.000 0.822 341 A HN 0.560 nan 8.150 nan 0.000 0.443 342 F N 0.995 120.879 119.950 -0.110 0.000 2.069 342 F HA -0.182 4.344 4.527 -0.001 0.000 0.298 342 F C 2.153 178.078 175.800 0.209 0.000 1.113 342 F CA 2.180 60.229 58.000 0.080 0.000 1.214 342 F CB -0.517 38.439 39.000 -0.074 0.000 0.978 342 F HN 0.020 nan 8.300 nan 0.000 0.474 343 V N 0.752 120.643 119.914 -0.038 0.000 2.332 343 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 343 V C 2.313 178.376 176.094 -0.051 0.000 1.055 343 V CA 2.364 64.593 62.300 -0.119 0.000 1.038 343 V CB -0.808 31.048 31.823 0.054 0.000 0.651 343 V HN 0.403 nan 8.190 nan 0.000 0.450 344 E N -0.646 119.573 120.200 0.032 0.000 2.072 344 E HA -0.250 4.099 4.350 -0.001 0.000 0.191 344 E C 2.153 178.789 176.600 0.059 0.000 0.985 344 E CA 1.478 57.907 56.400 0.049 0.000 0.801 344 E CB -0.203 29.546 29.700 0.081 0.000 0.750 344 E HN 0.793 nan 8.360 nan 0.000 0.452 345 H N -0.327 118.779 119.070 0.059 0.000 2.357 345 H HA -0.127 4.429 4.556 -0.001 0.000 0.301 345 H C 1.743 177.046 175.328 -0.041 0.000 1.082 345 H CA 1.402 57.482 56.048 0.054 0.000 1.342 345 H CB -0.135 29.755 29.762 0.213 0.000 1.389 345 H HN 0.087 nan 8.280 nan 0.000 0.511 346 F N 1.355 121.125 119.950 -0.300 0.000 2.269 346 F HA -0.110 4.416 4.527 -0.001 0.000 0.301 346 F C 2.190 177.769 175.800 -0.369 0.000 1.082 346 F CA 1.199 58.934 58.000 -0.443 0.000 1.360 346 F CB -0.021 38.489 39.000 -0.817 0.000 1.041 346 F HN 0.233 nan 8.300 nan 0.000 0.512 347 E N -0.464 119.617 120.200 -0.199 0.000 2.077 347 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 347 E C 2.211 178.632 176.600 -0.297 0.000 0.989 347 E CA 1.866 58.132 56.400 -0.223 0.000 0.800 347 E CB -0.639 28.993 29.700 -0.113 0.000 0.746 347 E HN 0.337 nan 8.360 nan 0.000 0.452 348 T N 1.039 115.416 114.554 -0.295 0.000 2.821 348 T HA -0.073 4.276 4.350 -0.001 0.000 0.267 348 T C 1.894 176.355 174.700 -0.397 0.000 1.046 348 T CA 1.316 63.232 62.100 -0.306 0.000 1.139 348 T CB -0.122 68.578 68.868 -0.279 0.000 0.871 348 T HN 0.233 nan 8.240 nan 0.000 0.454 349 A N 1.505 124.004 122.820 -0.536 0.000 2.066 349 A HA 0.005 4.324 4.320 -0.001 0.000 0.218 349 A C 2.285 179.419 177.584 -0.751 0.000 1.157 349 A CA 1.592 53.307 52.037 -0.536 0.000 0.670 349 A CB -0.561 18.147 19.000 -0.487 0.000 0.804 349 A HN 0.581 nan 8.150 nan 0.000 0.453 350 T N -4.705 109.265 114.554 -0.974 0.000 3.132 350 T HA 0.541 4.890 4.350 -0.001 0.000 0.274 350 T C 1.442 175.680 174.700 -0.771 0.000 1.011 350 T CA 0.734 61.932 62.100 -1.505 0.000 0.899 350 T CB 0.300 68.258 68.868 -1.515 0.000 1.089 350 T HN 0.391 nan 8.240 nan 0.000 0.543 351 A N 2.451 125.004 122.820 -0.444 0.000 1.948 351 A HA -0.053 4.267 4.320 -0.001 0.000 0.220 351 A C 2.474 179.996 177.584 -0.103 0.000 1.177 351 A CA 1.946 53.848 52.037 -0.224 0.000 0.636 351 A CB -0.872 18.025 19.000 -0.171 0.000 0.815 351 A HN 0.808 nan 8.150 nan 0.000 0.449 352 S N -1.794 113.886 115.700 -0.034 0.000 2.556 352 S HA 0.352 4.821 4.470 -0.001 0.000 0.216 352 S C 0.029 174.765 174.600 0.225 0.000 0.970 352 S CA -0.668 57.580 58.200 0.080 0.000 0.912 352 S CB -0.350 62.897 63.200 0.078 0.000 0.790 352 S HN 0.098 nan 8.310 nan 0.000 0.504 353 F N 3.010 122.911 119.950 -0.081 0.000 2.506 353 F HA 0.583 5.109 4.527 -0.001 0.000 0.351 353 F C 1.446 177.219 175.800 -0.045 0.000 1.136 353 F CA -1.081 56.878 58.000 -0.067 0.000 1.298 353 F CB -0.052 38.896 39.000 -0.086 0.000 1.145 353 F HN 0.203 nan 8.300 nan 0.000 0.593 354 G N 0.952 109.813 108.800 0.102 0.000 2.444 354 G HA2 0.494 4.453 3.960 -0.001 0.000 0.268 354 G HA3 0.494 4.453 3.960 -0.001 0.000 0.268 354 G C -0.543 174.400 174.900 0.070 0.000 1.203 354 G CA -0.445 44.688 45.100 0.054 0.000 0.835 354 G HN 0.905 nan 8.290 nan 0.000 0.543 355 A N 1.940 124.796 122.820 0.060 0.000 2.520 355 A HA 0.389 4.708 4.320 -0.001 0.000 0.235 355 A C 0.779 178.398 177.584 0.058 0.000 1.065 355 A CA 0.069 52.145 52.037 0.064 0.000 0.764 355 A CB 0.292 19.324 19.000 0.053 0.000 1.002 355 A HN 0.537 nan 8.150 nan 0.000 0.502 356 K N 0.924 121.368 120.400 0.073 0.000 2.107 356 K HA 0.179 4.499 4.320 -0.001 0.000 0.251 356 K C 0.118 176.771 176.600 0.089 0.000 1.012 356 K CA -0.207 56.126 56.287 0.076 0.000 0.920 356 K CB 0.709 33.268 32.500 0.099 0.000 1.033 356 K HN 0.823 nan 8.250 nan 0.000 0.478 357 Q N 2.745 122.609 119.800 0.108 0.000 2.360 357 Q HA 0.098 4.438 4.340 -0.001 0.000 0.254 357 Q C -0.489 175.692 176.000 0.302 0.000 0.975 357 Q CA -0.524 55.376 55.803 0.162 0.000 0.912 357 Q CB 0.639 29.464 28.738 0.144 0.000 1.212 357 Q HN 0.442 nan 8.270 nan 0.000 0.452 358 R N 2.930 123.563 120.500 0.221 0.000 2.531 358 R HA 0.273 4.613 4.340 -0.001 0.000 0.273 358 R C 0.058 176.430 176.300 0.120 0.000 1.070 358 R CA -0.695 55.532 56.100 0.212 0.000 1.112 358 R CB 0.527 30.875 30.300 0.080 0.000 1.049 358 R HN 0.586 nan 8.270 nan 0.000 0.508 359 H N -0.119 118.871 119.070 -0.133 0.000 2.546 359 H HA 0.181 4.736 4.556 -0.001 0.000 0.365 359 H C -1.070 174.257 175.328 -0.001 0.000 1.220 359 H CA -0.798 55.070 56.048 -0.300 0.000 1.386 359 H CB 0.872 30.330 29.762 -0.506 0.000 1.510 359 H HN 0.730 nan 8.280 nan 0.000 0.591 360 D N 1.023 121.367 120.400 -0.094 0.000 2.277 360 D HA 0.172 4.812 4.640 -0.001 0.000 0.249 360 D C 0.829 177.028 176.300 -0.168 0.000 1.134 360 D CA -0.489 53.439 54.000 -0.120 0.000 0.863 360 D CB 0.158 40.934 40.800 -0.039 0.000 1.143 360 D HN 0.632 nan 8.370 nan 0.000 0.458 361 I N 0.152 120.533 120.570 -0.315 0.000 3.966 361 I HA 0.346 4.515 4.170 -0.001 0.000 0.324 361 I C 0.817 176.799 176.117 -0.224 0.000 1.517 361 I CA -0.510 60.617 61.300 -0.289 0.000 1.117 361 I CB 0.621 38.324 38.000 -0.496 0.000 1.190 361 I HN 0.107 nan 8.210 nan 0.000 0.466 362 E N 2.270 122.369 120.200 -0.168 0.000 2.153 362 E HA -0.088 4.261 4.350 -0.001 0.000 0.194 362 E C -0.511 176.043 176.600 -0.076 0.000 0.988 362 E CA 1.318 57.643 56.400 -0.125 0.000 0.811 362 E CB -1.405 28.243 29.700 -0.087 0.000 0.746 362 E HN 0.504 nan 8.360 nan 0.000 0.466 363 P HA -0.112 nan 4.420 nan 0.000 0.218 363 P C 1.637 178.877 177.300 -0.099 0.000 1.149 363 P CA 0.679 63.818 63.100 0.065 0.000 0.817 363 P CB 0.015 31.875 31.700 0.266 0.000 0.785 364 L N -0.426 120.753 121.223 -0.073 0.000 2.095 364 L HA 0.029 4.369 4.340 -0.001 0.000 0.204 364 L C 2.318 179.025 176.870 -0.272 0.000 1.080 364 L CA 1.650 56.348 54.840 -0.237 0.000 0.759 364 L CB -0.872 41.163 42.059 -0.039 0.000 0.914 364 L HN -0.270 nan 8.230 nan 0.000 0.439 365 R N -0.322 120.056 120.500 -0.202 0.000 2.091 365 R HA -0.151 4.189 4.340 -0.001 0.000 0.238 365 R C 2.246 178.466 176.300 -0.133 0.000 1.136 365 R CA 1.466 57.466 56.100 -0.167 0.000 0.959 365 R CB -0.662 29.537 30.300 -0.168 0.000 0.856 365 R HN 0.549 nan 8.270 nan 0.000 0.437 366 A N 0.824 123.560 122.820 -0.140 0.000 1.898 366 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 366 A C 2.103 179.615 177.584 -0.120 0.000 1.181 366 A CA 1.401 53.375 52.037 -0.105 0.000 0.620 366 A CB -0.341 18.610 19.000 -0.083 0.000 0.819 366 A HN 0.103 nan 8.150 nan 0.000 0.442 367 R N 0.199 120.543 120.500 -0.261 0.000 2.081 367 R HA -0.009 4.331 4.340 -0.001 0.000 0.235 367 R C 1.751 178.026 176.300 -0.043 0.000 1.131 367 R CA 1.761 57.700 56.100 -0.268 0.000 0.960 367 R CB -0.800 29.012 30.300 -0.813 0.000 0.856 367 R HN 0.551 nan 8.270 nan 0.000 0.436 368 I N 0.200 120.713 120.570 -0.096 0.000 2.226 368 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 368 I C 2.259 178.493 176.117 0.195 0.000 1.100 368 I CA 1.500 62.857 61.300 0.094 0.000 1.374 368 I CB -0.380 37.611 38.000 -0.016 0.000 1.057 368 I HN 0.288 nan 8.210 nan 0.000 0.413 369 A N -0.035 122.830 122.820 0.076 0.000 1.933 369 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 369 A C 2.319 179.942 177.584 0.065 0.000 1.175 369 A CA 1.847 53.921 52.037 0.062 0.000 0.628 369 A CB -0.612 18.397 19.000 0.016 0.000 0.814 369 A HN 0.519 nan 8.150 nan 0.000 0.444 370 E N -1.167 119.077 120.200 0.072 0.000 2.077 370 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 370 E C 1.645 178.262 176.600 0.027 0.000 0.989 370 E CA 1.222 57.648 56.400 0.043 0.000 0.800 370 E CB -0.237 29.484 29.700 0.034 0.000 0.746 370 E HN 0.563 nan 8.360 nan 0.000 0.452 371 F N 0.974 120.854 119.950 -0.117 0.000 2.102 371 F HA -0.155 4.372 4.527 -0.001 0.000 0.298 371 F C 2.264 177.947 175.800 -0.194 0.000 1.105 371 F CA 1.104 58.940 58.000 -0.274 0.000 1.239 371 F CB -0.365 38.377 39.000 -0.430 0.000 0.991 371 F HN 0.052 nan 8.300 nan 0.000 0.474 372 L N -0.833 120.389 121.223 -0.002 0.000 2.131 372 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 372 L C 2.358 179.240 176.870 0.019 0.000 1.092 372 L CA 1.243 56.066 54.840 -0.028 0.000 0.759 372 L CB -0.824 41.247 42.059 0.020 0.000 0.903 372 L HN 0.131 nan 8.230 nan 0.000 0.435 373 A N -1.589 121.245 122.820 0.023 0.000 2.275 373 A HA -0.044 4.276 4.320 -0.001 0.000 0.212 373 A C 0.566 178.156 177.584 0.010 0.000 1.201 373 A CA -0.243 51.803 52.037 0.014 0.000 0.843 373 A CB -0.348 18.657 19.000 0.007 0.000 0.873 373 A HN 0.274 nan 8.150 nan 0.000 0.492 374 D N 1.391 121.805 120.400 0.023 0.000 2.854 374 D HA -0.041 4.599 4.640 -0.001 0.000 0.243 374 D C -1.397 174.918 176.300 0.024 0.000 1.243 374 D CA -0.685 53.333 54.000 0.029 0.000 0.883 374 D CB 0.878 41.751 40.800 0.123 0.000 1.145 374 D HN 0.236 nan 8.370 nan 0.000 0.555 375 P HA 0.045 nan 4.420 nan 0.000 0.261 375 P C 0.231 177.484 177.300 -0.078 0.000 1.268 375 P CA -0.058 63.020 63.100 -0.035 0.000 0.833 375 P CB 0.266 31.941 31.700 -0.040 0.000 1.231 376 E N 0.650 120.774 120.200 -0.128 0.000 2.413 376 E HA 0.113 4.463 4.350 -0.001 0.000 0.263 376 E C -0.458 175.932 176.600 -0.350 0.000 1.015 376 E CA 0.244 56.454 56.400 -0.317 0.000 0.916 376 E CB 0.316 29.682 29.700 -0.556 0.000 0.947 376 E HN -0.036 nan 8.360 nan 0.000 0.440 377 T N 4.275 118.627 114.554 -0.336 0.000 2.749 377 T HA 0.268 4.618 4.350 -0.001 0.000 0.287 377 T C -1.008 173.505 174.700 -0.311 0.000 0.970 377 T CA -0.303 61.671 62.100 -0.210 0.000 0.980 377 T CB 0.131 68.932 68.868 -0.111 0.000 0.924 377 T HN 0.261 nan 8.240 nan 0.000 0.456 378 Y N 1.054 121.322 120.300 -0.053 0.000 2.376 378 Y HA 0.295 4.845 4.550 -0.001 0.000 0.325 378 Y C 1.752 177.624 175.900 -0.047 0.000 1.199 378 Y CA -0.941 57.130 58.100 -0.049 0.000 1.206 378 Y CB 0.989 39.413 38.460 -0.060 0.000 1.229 378 Y HN 0.676 nan 8.280 nan 0.000 0.480 379 E N 0.517 120.785 120.200 0.113 0.000 2.072 379 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 379 E C -0.132 176.491 176.600 0.038 0.000 0.985 379 E CA 1.358 57.787 56.400 0.049 0.000 0.801 379 E CB 0.030 29.750 29.700 0.034 0.000 0.750 379 E HN 0.638 nan 8.360 nan 0.000 0.452 380 D N 0.114 120.541 120.400 0.045 0.000 3.139 380 D HA 0.285 4.924 4.640 -0.001 0.000 0.268 380 D C 0.560 176.832 176.300 -0.047 0.000 1.322 380 D CA 0.054 54.050 54.000 -0.007 0.000 0.940 380 D CB 0.173 40.961 40.800 -0.020 0.000 1.050 380 D HN 0.186 nan 8.370 nan 0.000 0.503 381 G N 0.405 109.186 108.800 -0.032 0.000 2.728 381 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.294 381 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.294 381 G C -0.273 174.576 174.900 -0.084 0.000 1.342 381 G CA -0.604 44.450 45.100 -0.076 0.000 0.866 381 G HN 0.320 nan 8.290 nan 0.000 0.534 382 M N 0.092 119.611 119.600 -0.135 0.000 2.197 382 M HA 0.476 4.956 4.480 -0.001 0.000 0.305 382 M C 0.879 176.981 176.300 -0.329 0.000 1.162 382 M CA -0.410 54.793 55.300 -0.161 0.000 1.099 382 M CB 0.742 33.252 32.600 -0.150 0.000 1.430 382 M HN 0.486 nan 8.290 nan 0.000 0.481 383 R N 0.546 120.795 120.500 -0.418 0.000 2.540 383 R HA 0.291 4.631 4.340 -0.001 0.000 0.287 383 R C 0.813 176.774 176.300 -0.566 0.000 0.980 383 R CA -0.427 55.313 56.100 -0.599 0.000 0.966 383 R CB 0.853 30.650 30.300 -0.838 0.000 1.106 383 R HN 0.560 nan 8.270 nan 0.000 0.480 384 V N 2.540 122.155 119.914 -0.498 0.000 2.407 384 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 384 V C 1.928 177.925 176.094 -0.161 0.000 1.055 384 V CA 2.324 64.416 62.300 -0.347 0.000 1.049 384 V CB -0.888 30.648 31.823 -0.480 0.000 0.662 384 V HN 0.846 nan 8.190 nan 0.000 0.455 385 H N 0.085 119.168 119.070 0.021 0.000 2.421 385 H HA -0.150 4.405 4.556 -0.001 0.000 0.298 385 H C 2.131 177.369 175.328 -0.149 0.000 1.087 385 H CA 1.477 57.433 56.048 -0.154 0.000 1.330 385 H CB -0.570 28.979 29.762 -0.355 0.000 1.388 385 H HN 0.450 nan 8.280 nan 0.000 0.526 386 Q N 0.810 120.437 119.800 -0.289 0.000 2.119 386 Q HA -0.070 4.269 4.340 -0.001 0.000 0.201 386 Q C 2.512 178.458 176.000 -0.090 0.000 0.972 386 Q CA 1.459 57.177 55.803 -0.141 0.000 0.847 386 Q CB 0.045 28.690 28.738 -0.155 0.000 0.903 386 Q HN 0.410 nan 8.270 nan 0.000 0.433 387 V N 1.046 120.890 119.914 -0.116 0.000 2.295 387 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 387 V C 2.130 178.225 176.094 0.002 0.000 1.049 387 V CA 1.607 63.865 62.300 -0.070 0.000 1.024 387 V CB -0.446 31.313 31.823 -0.106 0.000 0.648 387 V HN 0.314 nan 8.190 nan 0.000 0.447 388 I N 0.321 120.914 120.570 0.039 0.000 2.252 388 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 388 I C 2.352 178.529 176.117 0.100 0.000 1.102 388 I CA 1.928 63.297 61.300 0.115 0.000 1.385 388 I CB -0.461 37.660 38.000 0.201 0.000 1.064 388 I HN 0.354 nan 8.210 nan 0.000 0.414 389 D N 0.680 121.110 120.400 0.050 0.000 2.133 389 D HA -0.208 4.432 4.640 -0.001 0.000 0.192 389 D C 2.211 178.547 176.300 0.059 0.000 1.001 389 D CA 1.920 55.948 54.000 0.046 0.000 0.844 389 D CB 0.094 40.903 40.800 0.015 0.000 0.944 389 D HN 0.175 nan 8.370 nan 0.000 0.447 390 S N -0.823 114.904 115.700 0.046 0.000 2.382 390 S HA -0.143 4.326 4.470 -0.001 0.000 0.228 390 S C 2.053 176.717 174.600 0.106 0.000 1.027 390 S CA 1.032 59.264 58.200 0.053 0.000 0.991 390 S CB -0.245 62.968 63.200 0.020 0.000 0.823 390 S HN 0.350 nan 8.310 nan 0.000 0.469 391 M N 1.515 121.199 119.600 0.141 0.000 2.132 391 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 391 M C 1.838 178.308 176.300 0.283 0.000 1.065 391 M CA 1.024 56.491 55.300 0.277 0.000 1.122 391 M CB -0.607 32.170 32.600 0.296 0.000 1.365 391 M HN 0.182 nan 8.290 nan 0.000 0.411 392 N N 0.228 119.031 118.700 0.173 0.000 2.061 392 N HA -0.132 4.607 4.740 -0.001 0.000 0.193 392 N C 1.668 177.233 175.510 0.091 0.000 1.030 392 N CA 2.001 55.119 53.050 0.113 0.000 0.856 392 N CB -0.926 37.619 38.487 0.095 0.000 1.023 392 N HN 0.331 nan 8.380 nan 0.000 0.424 393 T N 0.907 115.519 114.554 0.096 0.000 2.622 393 T HA -0.071 4.278 4.350 -0.001 0.000 0.266 393 T C 2.148 176.904 174.700 0.093 0.000 1.047 393 T CA 1.351 63.497 62.100 0.077 0.000 1.159 393 T CB -0.531 68.377 68.868 0.066 0.000 0.863 393 T HN -0.005 nan 8.240 nan 0.000 0.422 394 V N 1.361 121.367 119.914 0.152 0.000 2.427 394 V HA -0.140 3.979 4.120 -0.001 0.000 0.248 394 V C 2.436 178.641 176.094 0.184 0.000 1.051 394 V CA 1.640 64.061 62.300 0.200 0.000 1.048 394 V CB -0.668 31.316 31.823 0.269 0.000 0.666 394 V HN 0.368 nan 8.190 nan 0.000 0.456 395 M N 0.499 120.160 119.600 0.101 0.000 2.117 395 M HA -0.171 4.309 4.480 -0.001 0.000 0.262 395 M C 2.034 178.274 176.300 -0.100 0.000 1.065 395 M CA 1.915 57.079 55.300 -0.227 0.000 1.114 395 M CB -0.700 31.671 32.600 -0.382 0.000 1.361 395 M HN 0.397 nan 8.290 nan 0.000 0.408 396 E N -0.242 119.944 120.200 -0.023 0.000 2.058 396 E HA -0.254 4.095 4.350 -0.001 0.000 0.194 396 E C 1.844 178.447 176.600 0.005 0.000 0.997 396 E CA 1.860 58.257 56.400 -0.005 0.000 0.801 396 E CB -0.140 29.569 29.700 0.016 0.000 0.746 396 E HN 0.694 nan 8.360 nan 0.000 0.450 397 E N 0.035 120.250 120.200 0.024 0.000 2.038 397 E HA -0.219 4.131 4.350 -0.001 0.000 0.195 397 E C 2.014 178.628 176.600 0.024 0.000 1.000 397 E CA 1.193 57.610 56.400 0.030 0.000 0.803 397 E CB -0.178 29.550 29.700 0.046 0.000 0.750 397 E HN 0.318 nan 8.360 nan 0.000 0.448 398 A N 1.139 123.976 122.820 0.028 0.000 1.968 398 A HA 0.146 4.465 4.320 -0.001 0.000 0.217 398 A C 1.336 178.917 177.584 -0.004 0.000 1.169 398 A CA 0.963 53.016 52.037 0.027 0.000 0.638 398 A CB -0.141 18.902 19.000 0.071 0.000 0.812 398 A HN 0.244 nan 8.150 nan 0.000 0.446 399 A N 0.287 123.087 122.820 -0.033 0.000 2.295 399 A HA 0.554 4.873 4.320 -0.001 0.000 0.318 399 A C -0.114 177.462 177.584 -0.014 0.000 1.134 399 A CA -0.648 51.368 52.037 -0.035 0.000 0.827 399 A CB 0.357 19.318 19.000 -0.066 0.000 1.136 399 A HN 0.299 nan 8.150 nan 0.000 0.493 400 E N 0.983 121.180 120.200 -0.006 0.000 2.408 400 E HA 0.193 4.542 4.350 -0.001 0.000 0.259 400 E C -2.282 174.318 176.600 0.001 0.000 1.110 400 E CA -1.583 54.817 56.400 0.001 0.000 0.929 400 E CB -0.356 29.347 29.700 0.005 0.000 0.971 400 E HN 0.317 nan 8.360 nan 0.000 0.438 401 P HA -0.015 nan 4.420 nan 0.000 0.262 401 P C 0.484 177.790 177.300 0.011 0.000 1.182 401 P CA 1.118 64.224 63.100 0.009 0.000 0.761 401 P CB 0.228 31.935 31.700 0.012 0.000 0.795 402 G N 1.563 110.370 108.800 0.012 0.000 2.160 402 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.251 402 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.251 402 G C -0.059 174.848 174.900 0.013 0.000 1.008 402 G CA -0.080 45.029 45.100 0.015 0.000 0.724 402 G HN 0.565 nan 8.290 nan 0.000 0.514 403 E N -1.314 118.890 120.200 0.006 0.000 2.423 403 E HA 0.672 5.021 4.350 -0.001 0.000 0.269 403 E C 0.356 176.947 176.600 -0.015 0.000 0.948 403 E CA -0.488 55.914 56.400 0.003 0.000 0.802 403 E CB 2.046 31.747 29.700 0.002 0.000 1.339 403 E HN 1.566 nan 8.360 nan 0.000 0.445 404 G N 0.229 109.016 108.800 -0.021 0.000 2.675 404 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.686 404 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.686 404 G C -0.864 174.020 174.900 -0.027 0.000 1.215 404 G CA -0.639 44.425 45.100 -0.061 0.000 0.777 404 G HN 0.392 nan 8.290 nan 0.000 0.638 405 T N 1.355 115.885 114.554 -0.040 0.000 2.928 405 T HA 0.608 4.957 4.350 -0.001 0.000 0.296 405 T C 0.239 174.957 174.700 0.029 0.000 1.000 405 T CA -0.459 61.654 62.100 0.023 0.000 0.989 405 T CB 1.355 70.247 68.868 0.041 0.000 1.005 405 T HN 0.662 nan 8.240 nan 0.000 0.442 406 I N 3.159 123.791 120.570 0.104 0.000 2.321 406 I HA 0.429 4.598 4.170 -0.001 0.000 0.291 406 I C -0.276 175.914 176.117 0.122 0.000 0.998 406 I CA -0.949 60.464 61.300 0.188 0.000 1.227 406 I CB 1.413 39.596 38.000 0.305 0.000 1.368 406 I HN 0.275 nan 8.210 nan 0.000 0.466 407 V N 5.080 125.057 119.914 0.104 0.000 2.472 407 V HA 0.371 4.490 4.120 -0.001 0.000 0.290 407 V C 0.105 176.246 176.094 0.077 0.000 1.037 407 V CA -0.390 61.921 62.300 0.017 0.000 0.908 407 V CB 1.717 33.563 31.823 0.038 0.000 0.985 407 V HN 0.758 nan 8.190 nan 0.000 0.454 408 S N 2.585 118.286 115.700 0.000 0.000 2.502 408 S HA 0.372 4.841 4.470 -0.001 0.000 0.304 408 S C -0.435 174.322 174.600 0.261 0.000 1.097 408 S CA -0.663 57.647 58.200 0.184 0.000 1.045 408 S CB 1.328 64.615 63.200 0.145 0.000 1.019 408 S HN 0.894 nan 8.310 nan 0.000 0.481 409 D N 2.035 122.696 120.400 0.435 0.000 2.376 409 D HA 0.277 4.916 4.640 -0.001 0.000 0.268 409 D C -0.128 176.343 176.300 0.285 0.000 1.252 409 D CA -0.153 54.126 54.000 0.464 0.000 1.041 409 D CB 0.492 41.605 40.800 0.522 0.000 1.109 409 D HN 0.409 nan 8.370 nan 0.000 0.552 410 I N -0.587 120.144 120.570 0.268 0.000 2.493 410 I HA 0.614 4.783 4.170 -0.001 0.000 0.298 410 I C 0.985 177.106 176.117 0.007 0.000 0.998 410 I CA -0.313 60.986 61.300 -0.001 0.000 1.137 410 I CB 0.518 38.571 38.000 0.088 0.000 1.310 410 I HN 0.610 nan 8.210 nan 0.000 0.445 411 G N 3.758 112.398 108.800 -0.267 0.000 2.356 411 G HA2 0.049 4.008 3.960 -0.001 0.000 0.288 411 G HA3 0.049 4.008 3.960 -0.001 0.000 0.288 411 G C -0.339 174.448 174.900 -0.189 0.000 1.302 411 G CA -0.659 44.400 45.100 -0.069 0.000 0.887 411 G HN 0.306 nan 8.290 nan 0.000 0.521 412 F N 0.930 120.801 119.950 -0.130 0.000 2.134 412 F HA 0.045 4.571 4.527 -0.001 0.000 0.299 412 F C 2.633 178.438 175.800 0.008 0.000 1.097 412 F CA 2.180 60.098 58.000 -0.138 0.000 1.264 412 F CB -0.662 38.155 39.000 -0.305 0.000 1.001 412 F HN 0.469 nan 8.300 nan 0.000 0.479 413 F N 0.235 120.254 119.950 0.115 0.000 2.250 413 F HA -0.122 4.404 4.527 -0.001 0.000 0.301 413 F C 2.332 178.200 175.800 0.113 0.000 1.077 413 F CA 1.461 59.499 58.000 0.062 0.000 1.348 413 F CB -1.231 37.823 39.000 0.089 0.000 1.040 413 F HN -0.116 nan 8.300 nan 0.000 0.509 414 R N 0.744 120.625 120.500 -1.030 0.000 2.096 414 R HA -0.182 4.157 4.340 -0.001 0.000 0.235 414 R C 2.048 178.067 176.300 -0.468 0.000 1.127 414 R CA 2.081 57.738 56.100 -0.737 0.000 0.968 414 R CB -1.002 28.746 30.300 -0.920 0.000 0.861 414 R HN 0.484 nan 8.270 nan 0.000 0.440 415 H N -1.235 117.670 119.070 -0.275 0.000 2.502 415 H HA -0.074 4.481 4.556 -0.001 0.000 0.283 415 H C 1.655 176.840 175.328 -0.239 0.000 1.015 415 H CA 0.927 56.800 56.048 -0.292 0.000 1.298 415 H CB -0.133 29.426 29.762 -0.338 0.000 1.411 415 H HN 0.244 nan 8.280 nan 0.000 0.556 416 Y N 0.940 121.169 120.300 -0.119 0.000 2.181 416 Y HA -0.109 4.440 4.550 -0.001 0.000 0.288 416 Y C 2.855 178.786 175.900 0.052 0.000 1.146 416 Y CA 1.175 59.317 58.100 0.070 0.000 1.164 416 Y CB -0.637 37.988 38.460 0.275 0.000 0.982 416 Y HN 0.203 nan 8.280 nan 0.000 0.515 417 G N -0.548 108.356 108.800 0.174 0.000 2.418 417 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 417 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 417 G C 1.828 176.394 174.900 -0.555 0.000 1.158 417 G CA 1.378 46.482 45.100 0.007 0.000 0.771 417 G HN 0.280 nan 8.290 nan 0.000 0.545 418 V N 0.854 120.488 119.914 -0.466 0.000 2.332 418 V HA -0.154 3.966 4.120 -0.001 0.000 0.248 418 V C 2.894 178.721 176.094 -0.445 0.000 1.055 418 V CA 1.599 63.590 62.300 -0.516 0.000 1.038 418 V CB -0.392 31.205 31.823 -0.377 0.000 0.651 418 V HN 0.344 nan 8.190 nan 0.000 0.450 419 L N -1.988 118.941 121.223 -0.489 0.000 2.131 419 L HA -0.029 4.311 4.340 -0.001 0.000 0.206 419 L C 2.153 178.657 176.870 -0.610 0.000 1.087 419 L CA 1.445 55.870 54.840 -0.691 0.000 0.767 419 L CB -0.279 41.043 42.059 -1.229 0.000 0.917 419 L HN 0.295 nan 8.230 nan 0.000 0.441 420 F N -0.581 119.278 119.950 -0.152 0.000 2.680 420 F HA 0.330 4.856 4.527 -0.001 0.000 0.290 420 F C 1.402 177.154 175.800 -0.079 0.000 1.114 420 F CA -0.660 57.297 58.000 -0.071 0.000 1.333 420 F CB -0.418 38.605 39.000 0.038 0.000 1.091 420 F HN -0.202 nan 8.300 nan 0.000 0.606 421 A N 1.563 124.367 122.820 -0.026 0.000 2.425 421 A HA 0.326 4.645 4.320 -0.001 0.000 0.249 421 A C 0.633 178.195 177.584 -0.036 0.000 1.084 421 A CA -0.426 51.593 52.037 -0.031 0.000 0.781 421 A CB 0.053 18.987 19.000 -0.110 0.000 1.019 421 A HN 0.314 nan 8.150 nan 0.000 0.490 422 R N 1.573 122.105 120.500 0.054 0.000 2.442 422 R HA 0.431 4.771 4.340 -0.001 0.000 0.291 422 R C -0.449 175.897 176.300 0.077 0.000 1.069 422 R CA 0.591 56.722 56.100 0.053 0.000 1.022 422 R CB 0.311 30.643 30.300 0.053 0.000 0.976 422 R HN 0.841 nan 8.270 nan 0.000 0.443 423 A N 4.158 127.017 122.820 0.066 0.000 2.457 423 A HA 0.195 4.514 4.320 -0.001 0.000 0.283 423 A C -0.871 176.749 177.584 0.060 0.000 1.166 423 A CA -0.735 51.359 52.037 0.095 0.000 0.740 423 A CB 1.443 20.527 19.000 0.139 0.000 1.181 423 A HN 0.853 nan 8.150 nan 0.000 0.446 424 D N 1.484 121.913 120.400 0.049 0.000 2.368 424 D HA 0.174 4.813 4.640 -0.001 0.000 0.218 424 D C 0.410 176.726 176.300 0.027 0.000 1.112 424 D CA 0.745 54.765 54.000 0.034 0.000 0.834 424 D CB 0.211 41.026 40.800 0.024 0.000 0.953 424 D HN 0.756 nan 8.370 nan 0.000 0.505 425 Q N -1.754 118.065 119.800 0.031 0.000 2.578 425 Q HA 0.491 4.830 4.340 -0.001 0.000 0.284 425 Q C -3.053 172.947 176.000 -0.001 0.000 0.960 425 Q CA -2.042 53.769 55.803 0.012 0.000 0.809 425 Q CB 1.245 29.996 28.738 0.021 0.000 1.462 425 Q HN -0.259 nan 8.270 nan 0.000 0.392 426 P HA 0.054 nan 4.420 nan 0.000 0.265 426 P C -0.836 176.381 177.300 -0.138 0.000 1.193 426 P CA 0.347 63.319 63.100 -0.213 0.000 0.765 426 P CB -0.039 31.450 31.700 -0.352 0.000 0.823 427 F N 0.854 120.845 119.950 0.069 0.000 3.093 427 F HA -0.183 4.344 4.527 -0.001 0.000 0.287 427 F C 1.607 177.448 175.800 0.069 0.000 0.882 427 F CA 1.134 59.173 58.000 0.066 0.000 1.063 427 F CB -2.600 36.424 39.000 0.040 0.000 1.097 427 F HN 0.489 nan 8.300 nan 0.000 0.604 428 G N -1.233 107.701 108.800 0.224 0.000 2.494 428 G HA2 0.069 4.028 3.960 -0.001 0.000 0.216 428 G HA3 0.069 4.028 3.960 -0.001 0.000 0.216 428 G C 0.164 175.208 174.900 0.240 0.000 1.140 428 G CA 0.438 45.644 45.100 0.177 0.000 0.801 428 G HN 0.343 nan 8.290 nan 0.000 0.536 429 F N 1.237 121.263 119.950 0.127 0.000 2.402 429 F HA 0.673 5.199 4.527 -0.001 0.000 0.355 429 F C -0.869 175.030 175.800 0.166 0.000 1.123 429 F CA -1.558 56.519 58.000 0.128 0.000 1.021 429 F CB 1.183 40.248 39.000 0.107 0.000 1.160 429 F HN -0.249 nan 8.300 nan 0.000 0.451 430 L N 6.250 127.227 121.223 -0.409 0.000 2.313 430 L HA 0.629 4.968 4.340 -0.001 0.000 0.283 430 L C -0.142 176.479 176.870 -0.416 0.000 1.013 430 L CA -0.409 54.262 54.840 -0.281 0.000 0.816 430 L CB 2.030 44.043 42.059 -0.076 0.000 1.236 430 L HN 0.719 nan 8.230 nan 0.000 0.419 431 T N 0.623 115.013 114.554 -0.272 0.000 2.792 431 T HA 0.218 4.568 4.350 -0.001 0.000 0.303 431 T C -1.077 173.405 174.700 -0.363 0.000 1.310 431 T CA -0.353 61.594 62.100 -0.255 0.000 1.007 431 T CB 2.063 70.728 68.868 -0.338 0.000 1.335 431 T HN 0.395 nan 8.240 nan 0.000 0.504 432 S N 1.463 116.691 115.700 -0.787 0.000 2.430 432 S HA 0.515 4.985 4.470 -0.001 0.000 0.282 432 S C 1.284 175.754 174.600 -0.216 0.000 1.186 432 S CA 0.072 57.843 58.200 -0.714 0.000 1.060 432 S CB 0.004 62.638 63.200 -0.944 0.000 0.966 432 S HN 0.797 nan 8.310 nan 0.000 0.501 433 A N 4.964 127.713 122.820 -0.118 0.000 1.841 433 A HA 0.159 4.479 4.320 -0.001 0.000 0.214 433 A C 1.938 179.461 177.584 -0.103 0.000 1.195 433 A CA 1.488 53.488 52.037 -0.061 0.000 0.611 433 A CB -1.140 17.818 19.000 -0.069 0.000 0.835 433 A HN 0.891 nan 8.150 nan 0.000 0.443 434 G N -2.527 106.213 108.800 -0.102 0.000 2.709 434 G HA2 0.052 4.012 3.960 -0.001 0.000 0.208 434 G HA3 0.052 4.012 3.960 -0.001 0.000 0.208 434 G C 1.438 176.295 174.900 -0.072 0.000 1.129 434 G CA 0.974 46.015 45.100 -0.098 0.000 0.793 434 G HN 0.560 nan 8.290 nan 0.000 0.524 435 C N 0.052 119.315 119.300 -0.062 0.000 2.524 435 C HA 0.380 4.839 4.460 -0.001 0.000 0.284 435 C C 1.755 176.726 174.990 -0.032 0.000 1.346 435 C CA 1.277 60.275 59.018 -0.032 0.000 1.739 435 C CB -0.444 27.302 27.740 0.010 0.000 2.119 435 C HN 0.435 nan 8.230 nan 0.000 0.501 436 S N 1.275 116.937 115.700 -0.063 0.000 3.682 436 S HA -0.165 4.305 4.470 -0.001 0.000 0.354 436 S C 0.081 174.682 174.600 0.001 0.000 1.034 436 S CA 0.717 58.886 58.200 -0.052 0.000 1.084 436 S CB -1.891 61.302 63.200 -0.012 0.000 0.903 436 S HN 0.862 nan 8.310 nan 0.000 0.470 437 S N 2.162 117.909 115.700 0.078 0.000 2.505 437 S HA 0.542 5.011 4.470 -0.001 0.000 0.276 437 S C 0.649 175.436 174.600 0.311 0.000 1.274 437 S CA -0.810 57.477 58.200 0.145 0.000 1.053 437 S CB -0.029 63.313 63.200 0.236 0.000 0.919 437 S HN 0.510 nan 8.310 nan 0.000 0.490 438 F N 3.685 123.673 119.950 0.063 0.000 2.539 438 F HA 0.502 5.029 4.527 -0.001 0.000 0.340 438 F C 1.315 177.186 175.800 0.118 0.000 1.185 438 F CA -0.774 57.295 58.000 0.115 0.000 1.333 438 F CB -1.229 37.837 39.000 0.110 0.000 1.152 438 F HN 0.843 nan 8.300 nan 0.000 0.602 439 G N 1.517 110.471 108.800 0.257 0.000 2.179 439 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.260 439 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.260 439 G C 0.756 175.933 174.900 0.462 0.000 0.977 439 G CA 0.531 45.747 45.100 0.193 0.000 0.641 439 G HN 1.079 nan 8.290 nan 0.000 0.533 440 Y N 1.505 122.034 120.300 0.381 0.000 2.256 440 Y HA 0.057 4.607 4.550 -0.001 0.000 0.288 440 Y C 2.534 178.485 175.900 0.086 0.000 1.155 440 Y CA 2.575 60.818 58.100 0.238 0.000 1.203 440 Y CB -0.450 38.129 38.460 0.200 0.000 0.980 440 Y HN 0.232 nan 8.280 nan 0.000 0.530 441 G N 0.711 109.634 108.800 0.206 0.000 2.459 441 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 441 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 441 G C 1.721 176.614 174.900 -0.012 0.000 1.183 441 G CA 1.378 46.548 45.100 0.117 0.000 0.776 441 G HN 0.486 nan 8.290 nan 0.000 0.552 442 I N 1.920 122.500 120.570 0.017 0.000 2.091 442 I HA -0.153 4.016 4.170 -0.001 0.000 0.239 442 I C 0.124 176.163 176.117 -0.129 0.000 1.061 442 I CA 1.558 62.844 61.300 -0.022 0.000 1.317 442 I CB -0.967 37.012 38.000 -0.035 0.000 1.031 442 I HN 0.197 nan 8.210 nan 0.000 0.401 443 P HA -0.167 nan 4.420 nan 0.000 0.218 443 P C 1.306 178.362 177.300 -0.408 0.000 1.148 443 P CA 1.982 64.881 63.100 -0.335 0.000 0.822 443 P CB -0.069 31.346 31.700 -0.475 0.000 0.784 444 A N 0.412 122.920 122.820 -0.521 0.000 1.930 444 A HA 0.027 4.346 4.320 -0.001 0.000 0.217 444 A C 2.451 179.886 177.584 -0.248 0.000 1.175 444 A CA 1.836 53.567 52.037 -0.511 0.000 0.627 444 A CB -1.408 17.124 19.000 -0.779 0.000 0.815 444 A HN 0.220 nan 8.150 nan 0.000 0.443 445 A N -0.044 122.683 122.820 -0.156 0.000 1.930 445 A HA -0.016 4.304 4.320 -0.001 0.000 0.217 445 A C 2.073 179.626 177.584 -0.052 0.000 1.175 445 A CA 1.342 53.346 52.037 -0.056 0.000 0.627 445 A CB -0.550 18.452 19.000 0.005 0.000 0.815 445 A HN 0.482 nan 8.150 nan 0.000 0.443 446 I N -0.239 120.281 120.570 -0.082 0.000 2.142 446 I HA -0.223 3.946 4.170 -0.001 0.000 0.240 446 I C 2.744 178.821 176.117 -0.066 0.000 1.078 446 I CA 1.297 62.565 61.300 -0.053 0.000 1.343 446 I CB -0.658 37.308 38.000 -0.058 0.000 1.046 446 I HN 0.385 nan 8.210 nan 0.000 0.405 447 G N 0.300 108.999 108.800 -0.168 0.000 2.440 447 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.218 447 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.218 447 G C 1.845 176.690 174.900 -0.090 0.000 1.154 447 G CA 0.888 45.880 45.100 -0.180 0.000 0.767 447 G HN 0.503 nan 8.290 nan 0.000 0.552 448 A N 0.208 122.979 122.820 -0.082 0.000 1.877 448 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 448 A C 2.332 179.917 177.584 0.002 0.000 1.186 448 A CA 2.275 54.292 52.037 -0.033 0.000 0.620 448 A CB -0.546 18.440 19.000 -0.023 0.000 0.822 448 A HN 0.398 nan 8.150 nan 0.000 0.443 449 Q N -0.561 119.245 119.800 0.010 0.000 2.170 449 Q HA -0.061 4.279 4.340 -0.001 0.000 0.203 449 Q C 1.936 177.956 176.000 0.033 0.000 0.976 449 Q CA 2.004 57.825 55.803 0.030 0.000 0.858 449 Q CB -0.402 28.359 28.738 0.039 0.000 0.907 449 Q HN 0.706 nan 8.270 nan 0.000 0.433 450 M N -1.326 118.296 119.600 0.036 0.000 2.349 450 M HA 0.013 4.492 4.480 -0.001 0.000 0.266 450 M C 1.956 178.282 176.300 0.044 0.000 1.076 450 M CA 1.123 56.454 55.300 0.050 0.000 1.126 450 M CB -0.047 32.609 32.600 0.093 0.000 1.392 450 M HN 0.291 nan 8.290 nan 0.000 0.440 451 A N 0.418 123.258 122.820 0.034 0.000 2.016 451 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 451 A C 1.309 178.914 177.584 0.035 0.000 1.162 451 A CA 0.941 52.998 52.037 0.033 0.000 0.662 451 A CB -0.079 18.935 19.000 0.024 0.000 0.812 451 A HN 0.406 nan 8.150 nan 0.000 0.450 452 R N -0.423 120.097 120.500 0.033 0.000 2.835 452 R HA 0.201 4.541 4.340 -0.001 0.000 0.290 452 R C -2.171 174.147 176.300 0.031 0.000 1.410 452 R CA -1.509 54.611 56.100 0.033 0.000 1.590 452 R CB 0.829 31.150 30.300 0.035 0.000 1.288 452 R HN 0.259 nan 8.270 nan 0.000 0.637 453 P HA -0.143 nan 4.420 nan 0.000 0.221 453 P C 0.023 177.340 177.300 0.028 0.000 1.145 453 P CA 1.227 64.344 63.100 0.029 0.000 0.795 453 P CB 0.382 32.097 31.700 0.025 0.000 0.775 454 D N -1.175 119.240 120.400 0.026 0.000 2.363 454 D HA 0.081 4.721 4.640 -0.001 0.000 0.214 454 D C 0.664 176.977 176.300 0.022 0.000 1.093 454 D CA 0.291 54.305 54.000 0.023 0.000 0.837 454 D CB 0.391 41.203 40.800 0.020 0.000 0.948 454 D HN 0.367 nan 8.370 nan 0.000 0.507 455 Q N 1.192 121.006 119.800 0.023 0.000 2.301 455 Q HA 0.405 4.745 4.340 -0.001 0.000 0.267 455 Q C -2.467 173.545 176.000 0.020 0.000 1.035 455 Q CA -2.019 53.792 55.803 0.014 0.000 0.856 455 Q CB 1.962 30.706 28.738 0.010 0.000 1.337 455 Q HN -0.074 nan 8.270 nan 0.000 0.450 456 P HA 0.050 nan 4.420 nan 0.000 0.276 456 P C -0.945 176.355 177.300 -0.001 0.000 1.230 456 P CA -0.118 62.994 63.100 0.020 0.000 0.776 456 P CB 0.738 32.413 31.700 -0.042 0.000 0.888 457 T N 3.920 118.555 114.554 0.135 0.000 2.815 457 T HA 0.472 4.821 4.350 -0.001 0.000 0.289 457 T C -0.546 174.405 174.700 0.419 0.000 1.000 457 T CA -0.133 62.066 62.100 0.165 0.000 0.958 457 T CB 0.091 69.031 68.868 0.120 0.000 0.944 457 T HN 0.091 nan 8.240 nan 0.000 0.442 458 F N 2.809 122.793 119.950 0.057 0.000 2.443 458 F HA 0.690 5.216 4.527 -0.001 0.000 0.335 458 F C -0.086 175.747 175.800 0.054 0.000 1.104 458 F CA -2.140 55.894 58.000 0.057 0.000 1.013 458 F CB 1.462 40.503 39.000 0.070 0.000 1.136 458 F HN 0.307 nan 8.300 nan 0.000 0.470 459 L N 5.119 126.459 121.223 0.195 0.000 2.341 459 L HA 0.648 4.988 4.340 -0.001 0.000 0.278 459 L C -1.198 175.708 176.870 0.060 0.000 1.005 459 L CA -0.504 54.409 54.840 0.121 0.000 0.818 459 L CB 1.458 43.565 42.059 0.080 0.000 1.259 459 L HN 0.584 nan 8.230 nan 0.000 0.418 460 I N 4.809 125.440 120.570 0.101 0.000 2.404 460 I HA 0.851 5.021 4.170 -0.001 0.000 0.293 460 I C -0.871 175.217 176.117 -0.047 0.000 0.992 460 I CA -0.267 61.034 61.300 0.001 0.000 1.149 460 I CB 1.434 39.497 38.000 0.104 0.000 1.315 460 I HN 0.898 nan 8.210 nan 0.000 0.446 461 A N 4.901 127.488 122.820 -0.388 0.000 2.572 461 A HA 0.804 5.124 4.320 -0.001 0.000 0.295 461 A C -0.535 176.519 177.584 -0.884 0.000 1.072 461 A CA -0.394 51.362 52.037 -0.468 0.000 0.691 461 A CB 1.370 20.344 19.000 -0.042 0.000 1.291 461 A HN 0.814 nan 8.150 nan 0.000 0.404 462 G N -0.291 108.040 108.800 -0.780 0.000 2.502 462 G HA2 0.439 4.399 3.960 -0.001 0.000 0.305 462 G HA3 0.439 4.399 3.960 -0.001 0.000 0.305 462 G C 0.460 175.284 174.900 -0.126 0.000 1.190 462 G CA 0.316 45.188 45.100 -0.381 0.000 0.933 462 G HN 0.813 nan 8.290 nan 0.000 0.503 463 D N -0.029 120.338 120.400 -0.055 0.000 2.144 463 D HA -0.114 4.526 4.640 -0.001 0.000 0.199 463 D C 2.103 178.522 176.300 0.198 0.000 0.984 463 D CA 1.385 55.400 54.000 0.025 0.000 0.834 463 D CB -0.669 40.274 40.800 0.238 0.000 0.955 463 D HN 0.462 nan 8.370 nan 0.000 0.465 464 G N 0.963 109.954 108.800 0.317 0.000 2.434 464 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.214 464 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.214 464 G C 1.800 176.776 174.900 0.126 0.000 1.202 464 G CA 1.190 46.508 45.100 0.363 0.000 0.788 464 G HN 0.463 nan 8.290 nan 0.000 0.539 465 G N 0.209 109.145 108.800 0.226 0.000 2.421 465 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.216 465 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.216 465 G C 1.669 176.524 174.900 -0.075 0.000 1.171 465 G CA 0.925 46.050 45.100 0.042 0.000 0.775 465 G HN 0.326 nan 8.290 nan 0.000 0.543 466 F N 0.931 120.834 119.950 -0.078 0.000 2.095 466 F HA -0.114 4.412 4.527 -0.001 0.000 0.298 466 F C 2.439 178.213 175.800 -0.043 0.000 1.104 466 F CA 2.039 59.977 58.000 -0.104 0.000 1.232 466 F CB -0.262 38.589 39.000 -0.248 0.000 0.987 466 F HN 0.261 nan 8.300 nan 0.000 0.475 467 H N -0.144 118.867 119.070 -0.099 0.000 2.495 467 H HA -0.015 4.540 4.556 -0.001 0.000 0.287 467 H C 2.462 177.598 175.328 -0.320 0.000 1.033 467 H CA 1.067 57.038 56.048 -0.129 0.000 1.307 467 H CB -0.469 29.319 29.762 0.044 0.000 1.401 467 H HN 0.355 nan 8.280 nan 0.000 0.555 468 S N -0.778 114.648 115.700 -0.458 0.000 2.419 468 S HA -0.171 4.299 4.470 -0.001 0.000 0.235 468 S C 1.472 175.774 174.600 -0.497 0.000 1.019 468 S CA 1.600 59.417 58.200 -0.637 0.000 0.982 468 S CB -0.093 62.327 63.200 -1.301 0.000 0.789 468 S HN 0.447 nan 8.310 nan 0.000 0.490 469 N N 0.062 118.502 118.700 -0.434 0.000 2.475 469 N HA 0.217 4.956 4.740 -0.001 0.000 0.272 469 N C 0.738 176.019 175.510 -0.381 0.000 1.482 469 N CA 0.528 53.381 53.050 -0.328 0.000 0.863 469 N CB 0.610 39.000 38.487 -0.162 0.000 1.400 469 N HN 0.376 nan 8.380 nan 0.000 0.489 470 S N -2.135 113.293 115.700 -0.453 0.000 2.515 470 S HA 0.016 4.485 4.470 -0.001 0.000 0.231 470 S C 1.618 176.078 174.600 -0.233 0.000 0.987 470 S CA 0.459 58.339 58.200 -0.534 0.000 0.936 470 S CB -0.050 62.967 63.200 -0.307 0.000 0.766 470 S HN 0.129 nan 8.310 nan 0.000 0.528 471 S N 2.008 117.613 115.700 -0.158 0.000 2.447 471 S HA -0.032 4.438 4.470 -0.001 0.000 0.233 471 S C 1.185 175.762 174.600 -0.038 0.000 1.006 471 S CA 0.815 58.974 58.200 -0.068 0.000 0.957 471 S CB -0.335 62.836 63.200 -0.048 0.000 0.773 471 S HN 0.562 nan 8.310 nan 0.000 0.507 472 D N 1.161 121.527 120.400 -0.058 0.000 2.363 472 D HA 0.107 4.747 4.640 -0.001 0.000 0.226 472 D C 1.515 177.808 176.300 -0.012 0.000 1.020 472 D CA 0.074 54.060 54.000 -0.023 0.000 0.892 472 D CB 0.011 40.798 40.800 -0.021 0.000 0.900 472 D HN 0.348 nan 8.370 nan 0.000 0.531 473 L N 0.854 122.070 121.223 -0.012 0.000 2.081 473 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 473 L C 2.562 179.454 176.870 0.037 0.000 1.080 473 L CA 1.190 56.053 54.840 0.040 0.000 0.754 473 L CB -0.237 41.867 42.059 0.076 0.000 0.893 473 L HN 0.022 nan 8.230 nan 0.000 0.433 474 E N -0.199 120.017 120.200 0.027 0.000 2.110 474 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 474 E C 1.955 178.572 176.600 0.029 0.000 0.988 474 E CA 1.915 58.332 56.400 0.028 0.000 0.804 474 E CB 0.021 29.736 29.700 0.025 0.000 0.745 474 E HN 0.458 nan 8.360 nan 0.000 0.458 475 T N 1.545 116.115 114.554 0.027 0.000 2.708 475 T HA -0.086 4.263 4.350 -0.001 0.000 0.266 475 T C 2.117 176.834 174.700 0.029 0.000 1.037 475 T CA 1.322 63.439 62.100 0.028 0.000 1.146 475 T CB -0.202 68.683 68.868 0.028 0.000 0.865 475 T HN 0.170 nan 8.240 nan 0.000 0.435 476 I N 1.439 122.028 120.570 0.032 0.000 2.163 476 I HA -0.238 3.931 4.170 -0.001 0.000 0.243 476 I C 2.961 179.102 176.117 0.041 0.000 1.085 476 I CA 1.266 62.589 61.300 0.039 0.000 1.347 476 I CB -0.546 37.483 38.000 0.048 0.000 1.044 476 I HN 0.209 nan 8.210 nan 0.000 0.408 477 A N 0.786 123.630 122.820 0.041 0.000 1.883 477 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 477 A C 2.427 180.030 177.584 0.032 0.000 1.186 477 A CA 2.177 54.238 52.037 0.039 0.000 0.624 477 A CB -0.733 18.290 19.000 0.038 0.000 0.822 477 A HN 0.400 nan 8.150 nan 0.000 0.444 478 R N -0.389 120.127 120.500 0.028 0.000 2.081 478 R HA -0.004 4.336 4.340 -0.001 0.000 0.235 478 R C 1.717 178.028 176.300 0.018 0.000 1.131 478 R CA 1.500 57.614 56.100 0.022 0.000 0.960 478 R CB -0.360 29.953 30.300 0.021 0.000 0.856 478 R HN 0.503 nan 8.270 nan 0.000 0.436 479 L N 0.675 121.910 121.223 0.020 0.000 2.478 479 L HA 0.015 4.354 4.340 -0.001 0.000 0.223 479 L C 0.410 177.292 176.870 0.021 0.000 1.140 479 L CA 0.196 55.045 54.840 0.015 0.000 0.842 479 L CB -0.433 41.637 42.059 0.018 0.000 0.953 479 L HN 0.368 nan 8.230 nan 0.000 0.452 480 N N 0.922 119.638 118.700 0.027 0.000 2.725 480 N HA -0.214 4.525 4.740 -0.001 0.000 0.251 480 N C -0.569 174.963 175.510 0.037 0.000 1.031 480 N CA 0.408 53.477 53.050 0.032 0.000 0.720 480 N CB -1.202 37.301 38.487 0.026 0.000 0.930 480 N HN 0.251 nan 8.380 nan 0.000 0.543 481 L N 0.703 121.951 121.223 0.042 0.000 2.278 481 L HA 0.327 4.667 4.340 -0.001 0.000 0.287 481 L C -1.286 175.620 176.870 0.060 0.000 1.072 481 L CA -1.682 53.186 54.840 0.047 0.000 0.819 481 L CB 0.894 42.980 42.059 0.045 0.000 1.176 481 L HN 0.079 nan 8.230 nan 0.000 0.435 482 P HA 0.075 nan 4.420 nan 0.000 0.249 482 P C 0.034 177.396 177.300 0.103 0.000 1.686 482 P CA 0.113 63.260 63.100 0.078 0.000 0.873 482 P CB -0.409 31.331 31.700 0.067 0.000 1.828 483 I N 0.058 120.687 120.570 0.099 0.000 2.588 483 I HA 0.040 4.210 4.170 -0.001 0.000 0.283 483 I C 0.622 176.803 176.117 0.108 0.000 1.119 483 I CA -0.357 61.011 61.300 0.115 0.000 1.419 483 I CB 0.982 39.035 38.000 0.088 0.000 1.394 483 I HN -0.164 nan 8.210 nan 0.000 0.562 484 V N 5.514 125.489 119.914 0.103 0.000 2.347 484 V HA 0.284 4.403 4.120 -0.001 0.000 0.280 484 V C 0.156 176.197 176.094 -0.089 0.000 1.021 484 V CA -0.464 61.824 62.300 -0.020 0.000 0.847 484 V CB 1.173 32.851 31.823 -0.241 0.000 0.990 484 V HN 0.734 nan 8.190 nan 0.000 0.444 485 T N 4.632 119.119 114.554 -0.112 0.000 2.824 485 T HA 0.583 4.932 4.350 -0.001 0.000 0.280 485 T C -0.286 174.250 174.700 -0.272 0.000 0.995 485 T CA -0.364 61.635 62.100 -0.168 0.000 1.009 485 T CB 1.714 70.479 68.868 -0.171 0.000 0.955 485 T HN 0.344 nan 8.240 nan 0.000 0.452 486 V N 3.960 123.705 119.914 -0.282 0.000 2.409 486 V HA 0.390 4.510 4.120 -0.001 0.000 0.291 486 V C -0.224 175.598 176.094 -0.454 0.000 1.020 486 V CA -0.767 61.338 62.300 -0.324 0.000 0.848 486 V CB 1.770 33.455 31.823 -0.230 0.000 0.990 486 V HN 0.706 nan 8.190 nan 0.000 0.430 487 V N 6.048 125.625 119.914 -0.563 0.000 2.350 487 V HA 0.316 4.435 4.120 -0.001 0.000 0.276 487 V C 0.073 175.854 176.094 -0.523 0.000 1.028 487 V CA -0.632 61.233 62.300 -0.726 0.000 0.860 487 V CB 1.747 32.903 31.823 -1.111 0.000 0.990 487 V HN 0.728 nan 8.190 nan 0.000 0.453 488 V N 2.438 122.053 119.914 -0.499 0.000 2.368 488 V HA 0.557 4.676 4.120 -0.001 0.000 0.266 488 V C -0.015 175.916 176.094 -0.272 0.000 1.045 488 V CA -0.414 61.670 62.300 -0.359 0.000 0.899 488 V CB 1.071 32.691 31.823 -0.339 0.000 1.006 488 V HN 0.752 nan 8.190 nan 0.000 0.470 489 N N 4.914 123.503 118.700 -0.185 0.000 2.424 489 N HA 0.404 5.143 4.740 -0.001 0.000 0.271 489 N C 0.140 175.640 175.510 -0.016 0.000 0.985 489 N CA -0.420 52.598 53.050 -0.053 0.000 0.921 489 N CB 1.596 40.102 38.487 0.031 0.000 1.149 489 N HN 0.912 nan 8.380 nan 0.000 0.492 490 N N 2.059 120.800 118.700 0.068 0.000 2.240 490 N HA 0.074 4.813 4.740 -0.001 0.000 0.240 490 N C -1.003 174.592 175.510 0.141 0.000 1.277 490 N CA -0.184 52.904 53.050 0.063 0.000 0.873 490 N CB 0.099 38.596 38.487 0.016 0.000 1.222 490 N HN 0.340 nan 8.380 nan 0.000 0.507 491 D N -0.028 120.503 120.400 0.219 0.000 2.837 491 D HA -0.130 4.509 4.640 -0.001 0.000 0.230 491 D C -0.946 175.519 176.300 0.275 0.000 1.152 491 D CA 1.386 55.560 54.000 0.290 0.000 0.736 491 D CB -1.718 39.182 40.800 0.168 0.000 1.084 491 D HN 0.497 nan 8.370 nan 0.000 0.429 492 T N -0.360 114.374 114.554 0.301 0.000 2.885 492 T HA 0.276 4.626 4.350 -0.001 0.000 0.322 492 T C -0.187 174.642 174.700 0.214 0.000 1.387 492 T CA -0.879 61.260 62.100 0.065 0.000 1.041 492 T CB 1.381 70.320 68.868 0.117 0.000 1.287 492 T HN -0.177 nan 8.240 nan 0.000 0.491 493 N N 1.755 120.473 118.700 0.029 0.000 2.895 493 N HA 0.213 4.952 4.740 -0.001 0.000 0.277 493 N C 1.500 177.114 175.510 0.174 0.000 1.185 493 N CA -0.019 53.157 53.050 0.209 0.000 1.106 493 N CB 0.659 39.241 38.487 0.159 0.000 1.422 493 N HN 0.887 nan 8.380 nan 0.000 0.521 494 G N 1.122 110.087 108.800 0.274 0.000 2.476 494 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.218 494 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.218 494 G C 1.492 176.410 174.900 0.030 0.000 1.164 494 G CA 0.422 45.693 45.100 0.284 0.000 0.768 494 G HN 0.476 nan 8.290 nan 0.000 0.560 495 L N 0.639 121.862 121.223 -0.000 0.000 2.081 495 L HA -0.084 4.255 4.340 -0.001 0.000 0.212 495 L C 2.487 179.290 176.870 -0.112 0.000 1.080 495 L CA 1.454 56.197 54.840 -0.161 0.000 0.754 495 L CB -0.221 41.864 42.059 0.043 0.000 0.893 495 L HN 0.150 nan 8.230 nan 0.000 0.433 496 I N -0.706 119.872 120.570 0.013 0.000 2.406 496 I HA -0.182 3.987 4.170 -0.001 0.000 0.249 496 I C 2.454 178.559 176.117 -0.020 0.000 1.122 496 I CA 1.124 62.453 61.300 0.048 0.000 1.431 496 I CB -1.427 36.597 38.000 0.039 0.000 1.087 496 I HN 0.460 nan 8.210 nan 0.000 0.424 497 E N 1.217 121.387 120.200 -0.049 0.000 2.118 497 E HA -0.264 4.085 4.350 -0.001 0.000 0.195 497 E C 2.286 178.721 176.600 -0.275 0.000 0.992 497 E CA 1.151 57.522 56.400 -0.047 0.000 0.804 497 E CB -0.062 29.706 29.700 0.113 0.000 0.741 497 E HN 0.280 nan 8.360 nan 0.000 0.458 498 L N 0.172 120.953 121.223 -0.737 0.000 2.012 498 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 498 L C 1.971 178.398 176.870 -0.738 0.000 1.073 498 L CA 1.857 55.938 54.840 -1.264 0.000 0.748 498 L CB -0.747 40.207 42.059 -1.841 0.000 0.891 498 L HN 0.228 nan 8.230 nan 0.000 0.431 499 Y N -0.029 120.001 120.300 -0.451 0.000 2.242 499 Y HA -0.224 4.325 4.550 -0.001 0.000 0.291 499 Y C 2.691 178.489 175.900 -0.170 0.000 1.137 499 Y CA 1.662 59.589 58.100 -0.288 0.000 1.181 499 Y CB -0.495 37.844 38.460 -0.203 0.000 0.989 499 Y HN 0.371 nan 8.280 nan 0.000 0.527 500 Q N -0.115 119.710 119.800 0.042 0.000 2.061 500 Q HA -0.228 4.112 4.340 -0.001 0.000 0.204 500 Q C 1.927 177.970 176.000 0.072 0.000 0.984 500 Q CA 1.559 57.437 55.803 0.125 0.000 0.846 500 Q CB -0.295 28.490 28.738 0.078 0.000 0.902 500 Q HN 0.551 nan 8.270 nan 0.000 0.421 501 N N 0.511 119.170 118.700 -0.069 0.000 2.188 501 N HA -0.094 4.646 4.740 -0.001 0.000 0.184 501 N C 1.939 177.301 175.510 -0.246 0.000 1.018 501 N CA 0.954 53.941 53.050 -0.104 0.000 0.858 501 N CB -0.095 38.343 38.487 -0.082 0.000 0.989 501 N HN 0.250 nan 8.380 nan 0.000 0.426 502 I N 0.842 121.240 120.570 -0.287 0.000 2.127 502 I HA -0.202 3.967 4.170 -0.001 0.000 0.241 502 I C 2.475 178.396 176.117 -0.327 0.000 1.075 502 I CA 1.533 62.651 61.300 -0.304 0.000 1.334 502 I CB -0.562 37.263 38.000 -0.291 0.000 1.040 502 I HN 0.154 nan 8.210 nan 0.000 0.405 503 G N -1.035 107.603 108.800 -0.270 0.000 2.430 503 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.216 503 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.216 503 G C 1.341 175.904 174.900 -0.560 0.000 1.146 503 G CA 0.407 45.249 45.100 -0.430 0.000 0.793 503 G HN 0.450 nan 8.290 nan 0.000 0.537 504 H N -1.463 117.560 119.070 -0.079 0.000 3.360 504 H HA 0.154 4.709 4.556 -0.001 0.000 0.262 504 H C 0.347 175.761 175.328 0.144 0.000 1.149 504 H CA 0.152 56.225 56.048 0.042 0.000 1.181 504 H CB 0.532 30.307 29.762 0.022 0.000 1.564 504 H HN 0.452 nan 8.280 nan 0.000 0.565 505 H N 0.701 119.826 119.070 0.091 0.000 2.958 505 H HA -0.154 4.401 4.556 -0.001 0.000 0.274 505 H C 0.226 175.606 175.328 0.087 0.000 1.184 505 H CA 1.231 57.322 56.048 0.072 0.000 1.143 505 H CB -1.142 28.652 29.762 0.054 0.000 1.297 505 H HN 0.560 nan 8.280 nan 0.000 0.356 506 R N -1.344 119.255 120.500 0.165 0.000 2.712 506 R HA 0.639 4.979 4.340 -0.001 0.000 0.272 506 R C -1.187 175.178 176.300 0.107 0.000 1.032 506 R CA -0.765 55.413 56.100 0.130 0.000 0.874 506 R CB 1.125 31.496 30.300 0.120 0.000 1.256 506 R HN -0.035 nan 8.270 nan 0.000 0.468 507 S N -0.102 115.657 115.700 0.099 0.000 2.672 507 S HA 0.312 4.781 4.470 -0.001 0.000 0.276 507 S C -0.922 173.749 174.600 0.118 0.000 1.207 507 S CA -0.477 57.778 58.200 0.091 0.000 1.002 507 S CB 0.650 63.899 63.200 0.082 0.000 0.998 507 S HN 0.652 nan 8.310 nan 0.000 0.542 508 H N 0.406 119.464 119.070 -0.020 0.000 3.108 508 H HA 0.332 4.887 4.556 -0.001 0.000 0.301 508 H C -0.274 175.034 175.328 -0.033 0.000 1.139 508 H CA -0.552 55.474 56.048 -0.036 0.000 1.552 508 H CB 0.146 29.866 29.762 -0.070 0.000 1.663 508 H HN 0.443 nan 8.280 nan 0.000 0.517 509 D N 4.507 124.745 120.400 -0.270 0.000 2.158 509 D HA -0.134 4.505 4.640 -0.001 0.000 0.197 509 D C -0.769 175.372 176.300 -0.266 0.000 0.995 509 D CA 1.113 54.981 54.000 -0.219 0.000 0.846 509 D CB -0.840 39.867 40.800 -0.154 0.000 0.941 509 D HN 0.542 nan 8.370 nan 0.000 0.456 510 P HA -0.079 nan 4.420 nan 0.000 0.218 510 P C 0.807 178.039 177.300 -0.114 0.000 1.146 510 P CA 1.573 64.527 63.100 -0.242 0.000 0.813 510 P CB 0.020 31.561 31.700 -0.264 0.000 0.778 511 A N -1.279 121.492 122.820 -0.082 0.000 2.195 511 A HA 0.113 4.432 4.320 -0.001 0.000 0.210 511 A C 1.751 179.297 177.584 -0.063 0.000 1.165 511 A CA 1.128 53.161 52.037 -0.007 0.000 0.806 511 A CB -0.564 18.480 19.000 0.073 0.000 0.847 511 A HN 0.200 nan 8.150 nan 0.000 0.482 512 V N -5.565 114.266 119.914 -0.138 0.000 3.408 512 V HA 0.331 4.450 4.120 -0.001 0.000 0.263 512 V C 0.000 175.824 176.094 -0.451 0.000 1.503 512 V CA -0.299 61.872 62.300 -0.215 0.000 1.046 512 V CB -0.119 31.645 31.823 -0.097 0.000 0.851 512 V HN 0.069 nan 8.190 nan 0.000 0.435 513 K N 1.596 121.776 120.400 -0.366 0.000 2.172 513 K HA 0.610 4.929 4.320 -0.001 0.000 0.276 513 K C -1.169 175.208 176.600 -0.372 0.000 1.013 513 K CA -0.241 55.835 56.287 -0.352 0.000 0.913 513 K CB 1.631 34.047 32.500 -0.141 0.000 1.055 513 K HN 0.299 nan 8.250 nan 0.000 0.461 514 F N -0.521 119.470 119.950 0.069 0.000 2.509 514 F HA 0.494 5.020 4.527 -0.001 0.000 0.334 514 F C 1.383 177.205 175.800 0.037 0.000 1.060 514 F CA -0.870 57.168 58.000 0.062 0.000 0.997 514 F CB 0.590 39.646 39.000 0.093 0.000 1.271 514 F HN 0.549 nan 8.300 nan 0.000 0.488 515 G N -0.708 108.237 108.800 0.242 0.000 2.557 515 G HA2 0.470 4.430 3.960 -0.001 0.000 0.292 515 G HA3 0.470 4.430 3.960 -0.001 0.000 0.292 515 G C -0.145 174.805 174.900 0.082 0.000 1.237 515 G CA -0.610 44.560 45.100 0.117 0.000 0.978 515 G HN 0.883 nan 8.290 nan 0.000 0.498 516 G N -1.641 107.170 108.800 0.017 0.000 2.398 516 G HA2 0.424 4.383 3.960 -0.001 0.000 0.246 516 G HA3 0.424 4.383 3.960 -0.001 0.000 0.246 516 G C -0.615 174.202 174.900 -0.137 0.000 1.289 516 G CA -0.038 45.038 45.100 -0.039 0.000 0.869 516 G HN 0.590 nan 8.290 nan 0.000 0.543 517 V N 3.118 122.866 119.914 -0.276 0.000 2.487 517 V HA 0.203 4.323 4.120 -0.001 0.000 0.298 517 V C -0.615 175.094 176.094 -0.641 0.000 1.028 517 V CA -0.887 61.065 62.300 -0.581 0.000 0.860 517 V CB 1.907 33.096 31.823 -1.057 0.000 0.991 517 V HN 0.783 nan 8.190 nan 0.000 0.427 518 D N 3.602 123.721 120.400 -0.468 0.000 2.422 518 D HA 0.247 4.887 4.640 -0.001 0.000 0.227 518 D C 0.555 176.652 176.300 -0.338 0.000 1.190 518 D CA -0.156 53.659 54.000 -0.309 0.000 0.905 518 D CB 0.632 41.328 40.800 -0.173 0.000 1.034 518 D HN 0.361 nan 8.370 nan 0.000 0.507 519 F N 2.164 122.033 119.950 -0.136 0.000 2.325 519 F HA -0.111 4.416 4.527 -0.001 0.000 0.299 519 F C 2.320 178.042 175.800 -0.129 0.000 1.090 519 F CA 0.199 58.118 58.000 -0.135 0.000 1.392 519 F CB -0.196 38.691 39.000 -0.188 0.000 1.053 519 F HN 0.276 nan 8.300 nan 0.000 0.521 520 V N 0.050 119.970 119.914 0.011 0.000 2.261 520 V HA -0.305 3.814 4.120 -0.001 0.000 0.246 520 V C 2.635 178.701 176.094 -0.046 0.000 1.047 520 V CA 1.881 64.148 62.300 -0.054 0.000 1.015 520 V CB -1.392 30.388 31.823 -0.073 0.000 0.642 520 V HN 0.335 nan 8.190 nan 0.000 0.446 521 A N -0.399 122.389 122.820 -0.052 0.000 1.940 521 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 521 A C 2.193 179.757 177.584 -0.034 0.000 1.176 521 A CA 2.157 54.166 52.037 -0.048 0.000 0.631 521 A CB -0.598 18.364 19.000 -0.064 0.000 0.814 521 A HN 0.458 nan 8.150 nan 0.000 0.446 522 L N -0.453 120.748 121.223 -0.037 0.000 2.017 522 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 522 L C 2.776 179.679 176.870 0.056 0.000 1.073 522 L CA 2.048 56.892 54.840 0.007 0.000 0.745 522 L CB -0.509 41.559 42.059 0.015 0.000 0.894 522 L HN 0.349 nan 8.230 nan 0.000 0.432 523 A N -0.982 121.877 122.820 0.065 0.000 1.902 523 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 523 A C 2.164 179.760 177.584 0.019 0.000 1.181 523 A CA 1.788 53.856 52.037 0.052 0.000 0.623 523 A CB -0.600 18.400 19.000 -0.000 0.000 0.818 523 A HN 0.586 nan 8.150 nan 0.000 0.443 524 E N -0.272 119.928 120.200 -0.001 0.000 2.110 524 E HA -0.089 4.260 4.350 -0.001 0.000 0.193 524 E C 2.231 178.837 176.600 0.010 0.000 0.988 524 E CA 0.808 57.209 56.400 0.001 0.000 0.804 524 E CB -0.278 29.418 29.700 -0.008 0.000 0.745 524 E HN 0.621 nan 8.360 nan 0.000 0.458 525 A N 1.543 124.368 122.820 0.009 0.000 2.024 525 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 525 A C 1.736 179.331 177.584 0.018 0.000 1.164 525 A CA 1.169 53.213 52.037 0.011 0.000 0.643 525 A CB -0.255 18.749 19.000 0.007 0.000 0.806 525 A HN 0.159 nan 8.150 nan 0.000 0.451 526 N N -0.967 117.749 118.700 0.027 0.000 2.336 526 N HA 0.129 4.868 4.740 -0.001 0.000 0.189 526 N C 0.926 176.454 175.510 0.030 0.000 1.113 526 N CA 0.850 53.918 53.050 0.031 0.000 0.858 526 N CB 0.397 38.909 38.487 0.043 0.000 0.970 526 N HN 0.609 nan 8.380 nan 0.000 0.471 527 G N 0.690 109.507 108.800 0.028 0.000 2.149 527 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.235 527 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.235 527 G C -0.306 174.617 174.900 0.038 0.000 1.018 527 G CA -0.102 45.016 45.100 0.030 0.000 0.728 527 G HN 0.152 nan 8.290 nan 0.000 0.508 528 V N 1.084 121.019 119.914 0.035 0.000 2.409 528 V HA 0.396 4.516 4.120 -0.001 0.000 0.291 528 V C -0.043 176.064 176.094 0.021 0.000 1.020 528 V CA -1.233 61.090 62.300 0.038 0.000 0.848 528 V CB 1.692 33.534 31.823 0.031 0.000 0.990 528 V HN 0.268 nan 8.190 nan 0.000 0.430 529 D N 3.701 124.148 120.400 0.078 0.000 2.443 529 D HA 0.550 5.189 4.640 -0.001 0.000 0.239 529 D C 0.196 176.402 176.300 -0.157 0.000 1.136 529 D CA 0.627 54.694 54.000 0.112 0.000 0.879 529 D CB 1.514 42.511 40.800 0.329 0.000 1.195 529 D HN 0.857 nan 8.370 nan 0.000 0.443 530 A N 1.059 123.723 122.820 -0.260 0.000 2.610 530 A HA 0.710 5.030 4.320 -0.001 0.000 0.291 530 A C -0.612 176.759 177.584 -0.355 0.000 1.086 530 A CA -0.608 51.066 52.037 -0.605 0.000 0.677 530 A CB 2.312 21.106 19.000 -0.342 0.000 1.278 530 A HN 0.423 nan 8.150 nan 0.000 0.414 531 T N -0.456 113.868 114.554 -0.385 0.000 2.802 531 T HA 0.593 4.942 4.350 -0.001 0.000 0.311 531 T C -1.294 173.327 174.700 -0.131 0.000 1.405 531 T CA -0.548 61.473 62.100 -0.131 0.000 1.016 531 T CB 1.389 70.292 68.868 0.059 0.000 1.352 531 T HN 0.908 nan 8.240 nan 0.000 0.498 532 R N 1.538 121.995 120.500 -0.072 0.000 2.407 532 R HA 0.807 5.147 4.340 -0.001 0.000 0.303 532 R C -1.166 175.103 176.300 -0.052 0.000 0.981 532 R CA -0.522 55.536 56.100 -0.071 0.000 0.905 532 R CB 1.093 31.361 30.300 -0.054 0.000 1.099 532 R HN 0.681 nan 8.270 nan 0.000 0.459 533 A N 2.148 124.929 122.820 -0.065 0.000 2.356 533 A HA 0.373 4.693 4.320 -0.001 0.000 0.310 533 A C 0.204 177.752 177.584 -0.060 0.000 1.075 533 A CA -0.594 51.412 52.037 -0.052 0.000 0.746 533 A CB 1.685 20.656 19.000 -0.049 0.000 1.221 533 A HN 0.877 nan 8.150 nan 0.000 0.443 534 T N -1.636 112.890 114.554 -0.046 0.000 3.040 534 T HA 0.294 4.643 4.350 -0.001 0.000 0.266 534 T C 0.177 174.853 174.700 -0.039 0.000 1.005 534 T CA 0.423 62.495 62.100 -0.046 0.000 0.906 534 T CB -0.619 68.227 68.868 -0.036 0.000 1.082 534 T HN 0.923 nan 8.240 nan 0.000 0.531 535 N N -0.345 118.333 118.700 -0.036 0.000 2.934 535 N HA 0.422 5.161 4.740 -0.001 0.000 0.253 535 N C 0.400 175.892 175.510 -0.029 0.000 1.466 535 N CA -1.153 51.880 53.050 -0.028 0.000 0.858 535 N CB 0.975 39.450 38.487 -0.021 0.000 1.459 535 N HN -0.178 nan 8.380 nan 0.000 0.532 536 R N -0.133 120.353 120.500 -0.024 0.000 2.096 536 R HA -0.183 4.156 4.340 -0.001 0.000 0.240 536 R C 1.422 177.713 176.300 -0.015 0.000 1.139 536 R CA 1.991 58.080 56.100 -0.020 0.000 0.952 536 R CB -0.288 30.003 30.300 -0.014 0.000 0.854 536 R HN 0.794 nan 8.270 nan 0.000 0.436 537 E N 1.032 121.224 120.200 -0.014 0.000 2.038 537 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 537 E C 1.742 178.336 176.600 -0.010 0.000 1.000 537 E CA 1.507 57.901 56.400 -0.011 0.000 0.803 537 E CB 0.099 29.791 29.700 -0.012 0.000 0.750 537 E HN 0.378 nan 8.360 nan 0.000 0.448 538 E N 0.198 120.390 120.200 -0.013 0.000 2.077 538 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 538 E C 2.174 178.768 176.600 -0.011 0.000 0.989 538 E CA 0.951 57.344 56.400 -0.011 0.000 0.800 538 E CB -0.119 29.572 29.700 -0.016 0.000 0.746 538 E HN 0.203 nan 8.360 nan 0.000 0.452 539 L N 0.984 122.195 121.223 -0.020 0.000 2.017 539 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 539 L C 2.070 178.932 176.870 -0.015 0.000 1.073 539 L CA 1.556 56.381 54.840 -0.026 0.000 0.745 539 L CB -0.424 41.611 42.059 -0.041 0.000 0.894 539 L HN 0.118 nan 8.230 nan 0.000 0.432 540 L N -0.647 120.572 121.223 -0.006 0.000 2.042 540 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 540 L C 2.667 179.537 176.870 0.000 0.000 1.076 540 L CA 1.360 56.203 54.840 0.005 0.000 0.749 540 L CB -0.941 41.123 42.059 0.009 0.000 0.893 540 L HN 0.399 nan 8.230 nan 0.000 0.432 541 A N -0.106 122.712 122.820 -0.003 0.000 1.877 541 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 541 A C 2.526 180.104 177.584 -0.010 0.000 1.186 541 A CA 1.856 53.888 52.037 -0.008 0.000 0.620 541 A CB -0.803 18.194 19.000 -0.006 0.000 0.822 541 A HN 0.415 nan 8.150 nan 0.000 0.443 542 A N -0.464 122.367 122.820 0.019 0.000 1.902 542 A HA -0.031 4.288 4.320 -0.001 0.000 0.217 542 A C 2.189 179.803 177.584 0.050 0.000 1.181 542 A CA 1.524 53.614 52.037 0.088 0.000 0.623 542 A CB -0.573 18.502 19.000 0.125 0.000 0.818 542 A HN 0.472 nan 8.150 nan 0.000 0.443 543 L N -1.323 119.891 121.223 -0.015 0.000 2.056 543 L HA -0.148 4.191 4.340 -0.001 0.000 0.207 543 L C 2.871 179.701 176.870 -0.067 0.000 1.078 543 L CA 1.369 56.155 54.840 -0.089 0.000 0.749 543 L CB -0.387 41.614 42.059 -0.097 0.000 0.901 543 L HN 0.324 nan 8.230 nan 0.000 0.433 544 R N -0.054 120.428 120.500 -0.031 0.000 2.075 544 R HA -0.184 4.155 4.340 -0.001 0.000 0.232 544 R C 2.315 178.565 176.300 -0.084 0.000 1.126 544 R CA 1.346 57.433 56.100 -0.021 0.000 0.963 544 R CB -0.219 30.076 30.300 -0.009 0.000 0.858 544 R HN 0.253 nan 8.270 nan 0.000 0.435 545 K N 0.269 120.578 120.400 -0.151 0.000 2.009 545 K HA -0.131 4.189 4.320 -0.001 0.000 0.210 545 K C 2.098 178.445 176.600 -0.421 0.000 1.049 545 K CA 1.818 57.937 56.287 -0.280 0.000 0.929 545 K CB -0.410 31.880 32.500 -0.351 0.000 0.714 545 K HN 0.233 nan 8.250 nan 0.000 0.440 546 G N 0.336 108.832 108.800 -0.507 0.000 2.440 546 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.218 546 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.218 546 G C 1.578 176.400 174.900 -0.129 0.000 1.154 546 G CA 1.004 45.867 45.100 -0.396 0.000 0.767 546 G HN 0.484 nan 8.290 nan 0.000 0.552 547 A N 0.261 123.051 122.820 -0.051 0.000 2.015 547 A HA 0.100 4.419 4.320 -0.001 0.000 0.219 547 A C 1.974 179.580 177.584 0.037 0.000 1.163 547 A CA 1.545 53.631 52.037 0.083 0.000 0.646 547 A CB -0.122 18.992 19.000 0.190 0.000 0.806 547 A HN 0.460 nan 8.150 nan 0.000 0.448 548 E N -1.223 118.959 120.200 -0.030 0.000 2.501 548 E HA 0.160 4.509 4.350 -0.001 0.000 0.201 548 E C 1.100 177.666 176.600 -0.057 0.000 1.016 548 E CA -0.337 56.044 56.400 -0.031 0.000 0.920 548 E CB 0.260 29.939 29.700 -0.035 0.000 1.023 548 E HN 0.416 nan 8.360 nan 0.000 0.474 549 L N 0.241 121.410 121.223 -0.088 0.000 2.109 549 L HA 0.075 4.414 4.340 -0.001 0.000 0.207 549 L C 1.563 178.413 176.870 -0.034 0.000 1.086 549 L CA 2.005 56.786 54.840 -0.098 0.000 0.760 549 L CB -0.228 41.729 42.059 -0.170 0.000 0.910 549 L HN 0.292 nan 8.230 nan 0.000 0.437 550 G N -0.444 108.353 108.800 -0.006 0.000 2.162 550 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.260 550 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.260 550 G C 0.543 175.459 174.900 0.026 0.000 0.976 550 G CA 0.558 45.666 45.100 0.013 0.000 0.655 550 G HN 0.433 nan 8.290 nan 0.000 0.533 551 R N -0.067 120.454 120.500 0.034 0.000 2.836 551 R HA 0.509 4.849 4.340 -0.001 0.000 0.269 551 R C -2.660 173.694 176.300 0.091 0.000 1.010 551 R CA -2.012 54.123 56.100 0.058 0.000 0.930 551 R CB 2.058 32.395 30.300 0.062 0.000 1.218 551 R HN 0.035 nan 8.270 nan 0.000 0.473 552 P HA 0.001 nan 4.420 nan 0.000 0.268 552 P C -1.053 176.375 177.300 0.214 0.000 1.208 552 P CA 0.404 63.579 63.100 0.124 0.000 0.777 552 P CB 0.493 32.246 31.700 0.089 0.000 0.875 553 F N 1.913 121.850 119.950 -0.021 0.000 2.608 553 F HA 0.562 5.088 4.527 -0.001 0.000 0.309 553 F C -1.614 174.143 175.800 -0.073 0.000 1.103 553 F CA -1.089 56.885 58.000 -0.045 0.000 0.954 553 F CB 1.606 40.570 39.000 -0.060 0.000 1.267 553 F HN 0.161 nan 8.300 nan 0.000 0.444 554 L N 6.388 127.193 121.223 -0.698 0.000 2.365 554 L HA 0.759 5.099 4.340 -0.001 0.000 0.273 554 L C -1.615 174.858 176.870 -0.662 0.000 1.000 554 L CA -0.452 54.075 54.840 -0.522 0.000 0.819 554 L CB 1.599 43.461 42.059 -0.329 0.000 1.284 554 L HN 0.578 nan 8.230 nan 0.000 0.418 555 I N 3.940 124.246 120.570 -0.440 0.000 2.436 555 I HA 0.392 4.561 4.170 -0.001 0.000 0.289 555 I C -0.550 175.387 176.117 -0.300 0.000 1.010 555 I CA -0.443 60.656 61.300 -0.335 0.000 1.098 555 I CB 1.911 39.784 38.000 -0.212 0.000 1.266 555 I HN 0.584 nan 8.210 nan 0.000 0.434 556 E N 5.946 126.006 120.200 -0.233 0.000 2.156 556 E HA 0.552 4.901 4.350 -0.001 0.000 0.279 556 E C -1.541 174.964 176.600 -0.159 0.000 0.965 556 E CA -0.577 55.704 56.400 -0.199 0.000 0.789 556 E CB 1.668 31.312 29.700 -0.092 0.000 1.098 556 E HN 0.382 nan 8.360 nan 0.000 0.397 557 V N 7.064 126.869 119.914 -0.181 0.000 2.443 557 V HA 0.342 4.462 4.120 -0.001 0.000 0.293 557 V C -2.275 173.731 176.094 -0.148 0.000 1.021 557 V CA -1.917 60.291 62.300 -0.154 0.000 0.848 557 V CB 1.499 33.220 31.823 -0.171 0.000 0.998 557 V HN 0.690 nan 8.190 nan 0.000 0.424 558 P HA 0.251 nan 4.420 nan 0.000 0.271 558 P C -0.579 176.624 177.300 -0.161 0.000 1.220 558 P CA 0.255 63.289 63.100 -0.110 0.000 0.768 558 P CB 1.439 33.093 31.700 -0.077 0.000 0.848 559 V N 0.889 120.678 119.914 -0.208 0.000 3.141 559 V HA 0.736 4.855 4.120 -0.001 0.000 0.312 559 V C -0.834 175.039 176.094 -0.369 0.000 1.157 559 V CA -0.875 61.233 62.300 -0.321 0.000 1.041 559 V CB 2.620 34.189 31.823 -0.424 0.000 1.071 559 V HN 0.430 nan 8.190 nan 0.000 0.441 560 N N -0.446 117.966 118.700 -0.479 0.000 2.416 560 N HA 0.619 5.358 4.740 -0.001 0.000 0.276 560 N C -2.069 173.092 175.510 -0.582 0.000 1.261 560 N CA -0.249 52.520 53.050 -0.468 0.000 0.790 560 N CB 2.365 40.705 38.487 -0.246 0.000 1.554 560 N HN 0.822 nan 8.380 nan 0.000 0.481 561 Y N -0.326 119.886 120.300 -0.148 0.000 2.468 561 Y HA 0.387 4.937 4.550 -0.001 0.000 0.342 561 Y C -0.392 175.312 175.900 -0.326 0.000 1.021 561 Y CA -0.809 57.201 58.100 -0.150 0.000 1.079 561 Y CB 1.469 39.896 38.460 -0.056 0.000 1.226 561 Y HN 0.214 nan 8.280 nan 0.000 0.460 562 D N 2.854 123.263 120.400 0.014 0.000 2.461 562 D HA 0.265 4.905 4.640 -0.001 0.000 0.240 562 D C -1.011 175.376 176.300 0.144 0.000 1.094 562 D CA -0.353 53.629 54.000 -0.030 0.000 0.868 562 D CB 0.433 41.268 40.800 0.057 0.000 1.062 562 D HN 0.154 nan 8.370 nan 0.000 0.530 563 F N 0.744 120.856 119.950 0.271 0.000 2.459 563 F HA 0.212 4.739 4.527 -0.001 0.000 0.346 563 F C 1.370 177.320 175.800 0.251 0.000 1.128 563 F CA -0.387 57.775 58.000 0.271 0.000 1.268 563 F CB 0.568 39.621 39.000 0.088 0.000 1.161 563 F HN 0.023 nan 8.300 nan 0.000 0.583 564 Q N 3.828 123.943 119.800 0.526 0.000 2.571 564 Q HA 0.240 4.580 4.340 -0.001 0.000 0.243 564 Q C -1.917 174.318 176.000 0.392 0.000 1.055 564 Q CA -1.663 54.351 55.803 0.352 0.000 0.815 564 Q CB 1.287 30.166 28.738 0.236 0.000 1.151 564 Q HN 0.340 nan 8.270 nan 0.000 0.519 565 P HA -0.145 nan 4.420 nan 0.000 0.221 565 P C 1.182 178.586 177.300 0.174 0.000 1.145 565 P CA 0.955 64.159 63.100 0.174 0.000 0.795 565 P CB 0.282 31.982 31.700 -0.000 0.000 0.775 566 G N -0.597 108.292 108.800 0.148 0.000 2.744 566 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.211 566 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.211 566 G C 1.426 176.361 174.900 0.059 0.000 1.143 566 G CA 0.507 45.666 45.100 0.097 0.000 0.788 566 G HN 0.389 nan 8.290 nan 0.000 0.534 567 G N -0.215 108.613 108.800 0.047 0.000 3.042 567 G HA2 0.231 4.190 3.960 -0.001 0.000 0.212 567 G HA3 0.231 4.190 3.960 -0.001 0.000 0.212 567 G C 0.407 175.077 174.900 -0.385 0.000 1.166 567 G CA -0.290 44.703 45.100 -0.178 0.000 0.767 567 G HN 0.318 nan 8.290 nan 0.000 0.546 568 F N 0.823 120.726 119.950 -0.078 0.000 2.850 568 F HA 0.307 4.833 4.527 -0.001 0.000 0.306 568 F C 2.083 177.789 175.800 -0.157 0.000 1.162 568 F CA -0.513 57.400 58.000 -0.144 0.000 1.327 568 F CB 0.780 39.644 39.000 -0.226 0.000 0.953 568 F HN 0.069 nan 8.300 nan 0.000 0.507 569 G N 0.390 109.183 108.800 -0.012 0.000 2.462 569 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.220 569 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.220 569 G C 1.869 176.735 174.900 -0.058 0.000 1.121 569 G CA 0.880 45.959 45.100 -0.034 0.000 0.758 569 G HN 0.440 nan 8.290 nan 0.000 0.559 570 A N 0.257 123.031 122.820 -0.077 0.000 2.178 570 A HA 0.202 4.521 4.320 -0.001 0.000 0.218 570 A C 2.189 179.704 177.584 -0.115 0.000 1.157 570 A CA 0.649 52.633 52.037 -0.089 0.000 0.689 570 A CB -0.239 18.711 19.000 -0.083 0.000 0.787 570 A HN 0.396 nan 8.150 nan 0.000 0.465 571 L N -0.460 120.685 121.223 -0.130 0.000 2.478 571 L HA 0.019 4.358 4.340 -0.001 0.000 0.223 571 L C 0.943 177.758 176.870 -0.092 0.000 1.140 571 L CA -0.194 54.548 54.840 -0.164 0.000 0.842 571 L CB -0.329 41.600 42.059 -0.217 0.000 0.953 571 L HN 0.173 nan 8.230 nan 0.000 0.452 572 S N 0.345 116.001 115.700 -0.074 0.000 2.563 572 S HA 0.212 4.681 4.470 -0.001 0.000 0.294 572 S C 0.208 174.772 174.600 -0.060 0.000 1.279 572 S CA 0.167 58.332 58.200 -0.058 0.000 1.069 572 S CB 0.264 63.431 63.200 -0.055 0.000 0.828 572 S HN 0.067 nan 8.310 nan 0.000 0.497 573 I N 0.000 120.541 120.570 -0.048 0.000 2.984 573 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 573 I CA 0.000 61.277 61.300 -0.038 0.000 1.566 573 I CB 0.000 37.979 38.000 -0.035 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494