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 3h7n_1_D DATA FIRST_RESID 1 DATA SEQUENCE MACLSRIDAN LLQYYEKPEP NNTVDLYVSX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXGSEYSNCL LLSNSEYICY HFSSRSTLLT FYPLSDAYHG KTINIHLPNA DATA SEQUENCE SMNQRYTLTI QEVEQQLLVN VILKDGSFLT LQLPLSFLFS SANTLNGEWF DATA SEQUENCE HLQNPYDFTV RVPHFLFYVS PQFSVVFLED GGLLGLKKVD GVHYEPLLFN DATA SEQUENCE DNSYLKSLTR FFSRSSKSDY DSVISCKLFH ERYLIVLTQN CHLKIWDLTS DATA SEQUENCE FTLIQDYDMV SQSDSDPSHF RKVEAVGEYL SLYNNTLVTL LPLENGLFQM DATA SEQUENCE GTLLVDSSGI LTYTFQNNIP TNLSASAIWS IVDLVLTRPL ELNVEASYLN DATA SEQUENCE LIVLWKSGTA SKLQILNVND ESFKNYEWIE SVNKSLVDLQ SEHDLDIVTK DATA SEQUENCE TGDVERGFCN LKSRYGTQIF ERAQQILSEN KIIMAHNEDE EYLANLETIL DATA SEQUENCE RDVKTAFNEA SSITLYGDEI ILVNCFQPYN HSLYKLNTTV ENWFYNMHSE DATA SEQUENCE TDGSELFKYL RTLNGFASTL SNDVLRSISK KFLDIITGEL PDSMTTVEKF DATA SEQUENCE TDIFKNCLEN QFEITNLKIL FDELNSFDIP VVLNDLINNQ MKPGIFWKKD DATA SEQUENCE FISAIKFDGF TSIISLESLH QLLSIHYRIT LQVLLTFVLF DLDTEIFGQH DATA SEQUENCE ISTLLDLHYK QFLLLNLYRQ DKCLLAEVLL KDSSEFSFGV KFFNYGQLIA DATA SEQUENCE YIDSLNSNVY NASITENSFF MTFFRSYII VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.324 176.300 0.040 0.000 1.140 1 M CA 0.000 55.328 55.300 0.046 0.000 0.988 1 M CB 0.000 32.626 32.600 0.042 0.000 1.302 2 A N 0.116 122.963 122.820 0.044 0.000 2.291 2 A HA 0.603 4.922 4.320 -0.000 0.000 0.311 2 A C 0.374 177.953 177.584 -0.008 0.000 1.224 2 A CA -0.552 51.494 52.037 0.015 0.000 0.821 2 A CB 0.413 19.429 19.000 0.027 0.000 1.172 2 A HN 0.558 nan 8.150 nan 0.000 0.494 3 C N 1.982 121.259 119.300 -0.038 0.000 3.019 3 C HA 0.417 4.877 4.460 -0.000 0.000 0.295 3 C C 0.301 175.221 174.990 -0.116 0.000 1.256 3 C CA 0.109 59.089 59.018 -0.063 0.000 1.706 3 C CB -1.477 26.232 27.740 -0.053 0.000 2.153 3 C HN 0.707 nan 8.230 nan 0.000 0.618 4 L N 0.558 121.706 121.223 -0.126 0.000 2.354 4 L HA 0.597 4.937 4.340 -0.000 0.000 0.264 4 L C 0.280 177.058 176.870 -0.153 0.000 1.008 4 L CA 0.142 54.900 54.840 -0.138 0.000 0.819 4 L CB 1.502 43.506 42.059 -0.091 0.000 1.339 4 L HN 0.083 nan 8.230 nan 0.000 0.420 5 S N 0.201 115.803 115.700 -0.163 0.000 2.786 5 S HA 0.775 5.245 4.470 -0.000 0.000 0.307 5 S C -0.487 174.114 174.600 0.002 0.000 1.121 5 S CA -0.905 57.158 58.200 -0.229 0.000 0.975 5 S CB 1.652 64.629 63.200 -0.371 0.000 1.220 5 S HN 0.592 nan 8.310 nan 0.000 0.550 6 R N 0.366 120.848 120.500 -0.030 0.000 2.393 6 R HA 0.530 4.870 4.340 -0.000 0.000 0.315 6 R C -1.400 174.817 176.300 -0.138 0.000 0.952 6 R CA -0.618 55.381 56.100 -0.168 0.000 0.842 6 R CB 0.564 30.801 30.300 -0.104 0.000 1.163 6 R HN 0.629 nan 8.270 nan 0.000 0.450 7 I N 4.128 124.584 120.570 -0.189 0.000 2.355 7 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 7 I C -0.485 175.557 176.117 -0.125 0.000 0.999 7 I CA -0.586 60.644 61.300 -0.116 0.000 1.163 7 I CB 1.617 39.553 38.000 -0.106 0.000 1.316 7 I HN 0.576 nan 8.210 nan 0.000 0.454 8 D N 5.940 126.294 120.400 -0.077 0.000 2.249 8 D HA 0.460 5.100 4.640 -0.000 0.000 0.246 8 D C -0.027 176.253 176.300 -0.033 0.000 1.114 8 D CA -0.097 53.873 54.000 -0.049 0.000 0.854 8 D CB 2.396 43.183 40.800 -0.022 0.000 1.132 8 D HN 0.560 nan 8.370 nan 0.000 0.461 9 A N 3.319 126.148 122.820 0.014 0.000 2.277 9 A HA 0.220 4.540 4.320 -0.000 0.000 0.318 9 A C -0.052 177.580 177.584 0.080 0.000 1.339 9 A CA -0.774 51.281 52.037 0.030 0.000 0.875 9 A CB 0.363 19.432 19.000 0.114 0.000 1.158 9 A HN 0.426 nan 8.150 nan 0.000 0.514 10 N N 3.753 122.457 118.700 0.008 0.000 2.485 10 N HA 0.211 4.951 4.740 -0.000 0.000 0.243 10 N C 0.786 176.286 175.510 -0.017 0.000 0.987 10 N CA -0.385 52.684 53.050 0.032 0.000 0.940 10 N CB 0.834 39.338 38.487 0.029 0.000 1.122 10 N HN 0.653 nan 8.380 nan 0.000 0.509 11 L N 2.900 124.154 121.223 0.051 0.000 2.270 11 L HA -0.174 4.166 4.340 -0.000 0.000 0.217 11 L C 1.425 178.266 176.870 -0.048 0.000 1.107 11 L CA 1.192 56.032 54.840 -0.001 0.000 0.772 11 L CB -0.092 41.983 42.059 0.026 0.000 0.902 11 L HN 0.555 nan 8.230 nan 0.000 0.439 12 L N -1.222 119.972 121.223 -0.047 0.000 2.667 12 L HA 0.062 4.402 4.340 -0.000 0.000 0.232 12 L C 2.073 178.931 176.870 -0.019 0.000 1.138 12 L CA -0.302 54.556 54.840 0.029 0.000 0.921 12 L CB -0.005 42.043 42.059 -0.018 0.000 1.180 12 L HN 0.123 nan 8.230 nan 0.000 0.487 13 Q N 0.671 120.397 119.800 -0.123 0.000 2.082 13 Q HA -0.274 4.066 4.340 -0.000 0.000 0.211 13 Q C 1.877 177.807 176.000 -0.117 0.000 1.002 13 Q CA 2.438 58.152 55.803 -0.148 0.000 0.868 13 Q CB -0.227 28.358 28.738 -0.255 0.000 0.931 13 Q HN 0.424 nan 8.270 nan 0.000 0.414 14 Y N -1.280 118.834 120.300 -0.310 0.000 2.242 14 Y HA -0.069 4.481 4.550 -0.000 0.000 0.291 14 Y C 0.523 176.039 175.900 -0.639 0.000 1.137 14 Y CA 0.165 57.947 58.100 -0.530 0.000 1.181 14 Y CB -0.889 37.113 38.460 -0.764 0.000 0.989 14 Y HN 0.101 nan 8.280 nan 0.000 0.527 15 Y N 0.230 120.440 120.300 -0.151 0.000 2.281 15 Y HA 0.143 4.693 4.550 -0.000 0.000 0.337 15 Y C 1.819 177.595 175.900 -0.207 0.000 1.304 15 Y CA -0.441 57.439 58.100 -0.367 0.000 1.465 15 Y CB 0.340 38.213 38.460 -0.979 0.000 1.350 15 Y HN -0.045 nan 8.280 nan 0.000 0.575 16 E N 0.007 120.201 120.200 -0.010 0.000 2.447 16 E HA 0.090 4.440 4.350 -0.000 0.000 0.204 16 E C -0.281 176.367 176.600 0.081 0.000 0.977 16 E CA 0.100 56.514 56.400 0.023 0.000 0.950 16 E CB 0.347 30.053 29.700 0.010 0.000 0.975 16 E HN 0.434 nan 8.360 nan 0.000 0.496 17 K N 2.355 122.838 120.400 0.140 0.000 2.267 17 K HA 0.128 4.448 4.320 -0.000 0.000 0.282 17 K C -1.862 174.845 176.600 0.179 0.000 1.078 17 K CA -1.807 54.587 56.287 0.178 0.000 0.903 17 K CB 1.266 33.911 32.500 0.243 0.000 1.111 17 K HN 0.046 nan 8.250 nan 0.000 0.475 18 P HA -0.187 nan 4.420 nan 0.000 0.222 18 P C -0.583 176.751 177.300 0.058 0.000 1.142 18 P CA 1.322 64.484 63.100 0.103 0.000 0.788 18 P CB 0.411 32.179 31.700 0.114 0.000 0.767 19 E N -0.112 120.111 120.200 0.037 0.000 2.238 19 E HA 0.401 4.751 4.350 -0.000 0.000 0.267 19 E C -2.621 173.877 176.600 -0.169 0.000 0.887 19 E CA -2.887 53.487 56.400 -0.044 0.000 0.769 19 E CB 1.415 31.115 29.700 -0.001 0.000 1.187 19 E HN -0.018 nan 8.360 nan 0.000 0.416 20 P HA -0.045 nan 4.420 nan 0.000 0.265 20 P C 0.317 177.380 177.300 -0.395 0.000 1.187 20 P CA 0.055 62.854 63.100 -0.502 0.000 0.766 20 P CB 0.583 32.050 31.700 -0.388 0.000 0.820 21 N N 1.502 119.874 118.700 -0.547 0.000 2.069 21 N HA -0.153 4.587 4.740 -0.000 0.000 0.191 21 N C 0.607 176.003 175.510 -0.189 0.000 1.031 21 N CA 1.437 54.299 53.050 -0.313 0.000 0.852 21 N CB -0.726 37.575 38.487 -0.311 0.000 1.018 21 N HN 0.426 nan 8.380 nan 0.000 0.423 22 N N 0.809 119.389 118.700 -0.200 0.000 2.500 22 N HA 0.140 4.880 4.740 -0.000 0.000 0.236 22 N C -1.616 173.830 175.510 -0.106 0.000 1.022 22 N CA 0.056 53.032 53.050 -0.124 0.000 0.935 22 N CB 0.489 38.908 38.487 -0.113 0.000 1.147 22 N HN -0.111 nan 8.380 nan 0.000 0.512 23 T N 2.554 117.071 114.554 -0.062 0.000 2.812 23 T HA 0.430 4.780 4.350 -0.000 0.000 0.282 23 T C -0.462 174.242 174.700 0.006 0.000 0.990 23 T CA -0.707 61.377 62.100 -0.026 0.000 0.960 23 T CB 0.962 69.828 68.868 -0.004 0.000 0.948 23 T HN 0.296 nan 8.240 nan 0.000 0.438 24 V N 0.185 120.106 119.914 0.012 0.000 2.513 24 V HA 0.676 4.796 4.120 -0.000 0.000 0.299 24 V C -0.864 175.291 176.094 0.102 0.000 1.035 24 V CA -0.768 61.569 62.300 0.062 0.000 0.889 24 V CB 1.987 33.850 31.823 0.067 0.000 0.988 24 V HN 0.788 nan 8.190 nan 0.000 0.440 25 D N 5.496 126.002 120.400 0.177 0.000 2.464 25 D HA 0.444 5.084 4.640 -0.000 0.000 0.243 25 D C -0.380 176.169 176.300 0.414 0.000 1.104 25 D CA -0.075 54.087 54.000 0.269 0.000 0.883 25 D CB 1.931 42.965 40.800 0.391 0.000 1.050 25 D HN 0.545 nan 8.370 nan 0.000 0.524 26 L N 1.835 123.225 121.223 0.279 0.000 2.399 26 L HA 0.405 4.745 4.340 -0.000 0.000 0.266 26 L C -0.330 176.850 176.870 0.517 0.000 1.114 26 L CA -0.606 54.458 54.840 0.372 0.000 0.804 26 L CB 0.435 42.498 42.059 0.008 0.000 1.146 26 L HN 0.227 nan 8.230 nan 0.000 0.451 27 Y N 0.352 120.835 120.300 0.305 0.000 2.753 27 Y HA 0.735 5.284 4.550 -0.000 0.000 0.324 27 Y C 0.093 175.977 175.900 -0.027 0.000 1.147 27 Y CA -1.051 57.154 58.100 0.174 0.000 1.173 27 Y CB 1.688 40.202 38.460 0.090 0.000 1.361 27 Y HN 0.118 nan 8.280 nan 0.000 0.545 28 V N -0.892 118.967 119.914 -0.092 0.000 3.078 28 V HA 0.585 4.705 4.120 -0.000 0.000 0.311 28 V C -0.302 175.665 176.094 -0.211 0.000 1.138 28 V CA -1.487 60.376 62.300 -0.728 0.000 1.007 28 V CB 1.549 32.915 31.823 -0.761 0.000 1.045 28 V HN 0.921 nan 8.190 nan 0.000 0.432 54 S N -0.767 114.810 115.700 -0.205 0.000 3.041 54 S HA 0.274 4.744 4.470 -0.000 0.000 0.244 54 S C 0.356 174.460 174.600 -0.826 0.000 0.837 54 S CA 0.004 57.974 58.200 -0.383 0.000 1.206 54 S CB 0.918 64.008 63.200 -0.184 0.000 1.218 54 S HN 0.516 nan 8.310 nan 0.000 0.591 55 E N 0.704 120.511 120.200 -0.656 0.000 2.694 55 E HA 0.446 4.796 4.350 -0.000 0.000 0.224 55 E C -0.718 175.649 176.600 -0.388 0.000 1.068 55 E CA 0.024 56.084 56.400 -0.567 0.000 1.043 55 E CB 0.245 29.777 29.700 -0.281 0.000 2.367 55 E HN 0.319 nan 8.360 nan 0.000 0.565 56 Y N 0.704 120.831 120.300 -0.289 0.000 2.485 56 Y HA 0.609 5.159 4.550 -0.000 0.000 0.345 56 Y C -1.200 174.518 175.900 -0.303 0.000 0.998 56 Y CA -0.814 57.172 58.100 -0.190 0.000 1.059 56 Y CB 1.671 40.056 38.460 -0.125 0.000 1.234 56 Y HN 0.163 nan 8.280 nan 0.000 0.461 57 S N 5.864 120.934 115.700 -1.051 0.000 2.533 57 S HA 0.642 5.112 4.470 -0.000 0.000 0.271 57 S C -1.883 171.994 174.600 -1.204 0.000 1.143 57 S CA -0.793 56.762 58.200 -1.075 0.000 0.891 57 S CB 1.987 64.542 63.200 -1.075 0.000 1.105 57 S HN 0.858 nan 8.310 nan 0.000 0.468 58 N N 0.138 118.092 118.700 -1.245 0.000 2.961 58 N HA 0.421 5.161 4.740 -0.000 0.000 0.245 58 N C -1.867 173.137 175.510 -0.842 0.000 1.404 58 N CA -0.292 52.183 53.050 -0.957 0.000 0.880 58 N CB 1.835 39.821 38.487 -0.836 0.000 1.461 58 N HN 0.792 nan 8.380 nan 0.000 0.510 59 C N 1.634 120.746 119.300 -0.313 0.000 2.319 59 C HA 0.637 5.097 4.460 -0.000 0.000 0.335 59 C C -0.121 174.989 174.990 0.200 0.000 1.274 59 C CA -0.578 58.418 59.018 -0.036 0.000 1.806 59 C CB -0.164 27.567 27.740 -0.016 0.000 2.329 59 C HN 0.499 nan 8.230 nan 0.000 0.524 60 L N 5.566 126.982 121.223 0.321 0.000 2.319 60 L HA 0.635 4.974 4.340 -0.000 0.000 0.281 60 L C -0.439 176.526 176.870 0.159 0.000 1.005 60 L CA -0.286 54.715 54.840 0.269 0.000 0.828 60 L CB 0.823 43.037 42.059 0.258 0.000 1.227 60 L HN 0.610 nan 8.230 nan 0.000 0.415 61 L N 5.410 126.646 121.223 0.022 0.000 2.464 61 L HA 0.471 4.811 4.340 -0.000 0.000 0.264 61 L C -0.786 175.976 176.870 -0.180 0.000 1.199 61 L CA 0.473 55.106 54.840 -0.346 0.000 0.818 61 L CB 0.502 42.263 42.059 -0.497 0.000 1.102 61 L HN 0.671 nan 8.230 nan 0.000 0.473 62 L N 1.910 123.004 121.223 -0.215 0.000 2.277 62 L HA 0.438 4.778 4.340 -0.000 0.000 0.254 62 L C 1.328 178.116 176.870 -0.137 0.000 1.044 62 L CA -0.757 54.021 54.840 -0.104 0.000 0.842 62 L CB 1.747 43.808 42.059 0.004 0.000 1.422 62 L HN 0.648 nan 8.230 nan 0.000 0.422 63 S N 0.697 116.341 115.700 -0.093 0.000 2.365 63 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 63 S C 1.156 175.679 174.600 -0.129 0.000 1.039 63 S CA 1.990 60.132 58.200 -0.097 0.000 1.033 63 S CB -0.502 62.659 63.200 -0.065 0.000 0.887 63 S HN 0.839 nan 8.310 nan 0.000 0.447 64 N N 1.241 119.842 118.700 -0.164 0.000 2.466 64 N HA 0.077 4.816 4.740 -0.000 0.000 0.211 64 N C -0.403 174.983 175.510 -0.206 0.000 1.256 64 N CA 0.362 53.288 53.050 -0.206 0.000 0.840 64 N CB -0.590 37.705 38.487 -0.319 0.000 1.079 64 N HN 0.100 nan 8.380 nan 0.000 0.466 65 S N -0.332 115.257 115.700 -0.185 0.000 3.631 65 S HA -0.151 4.319 4.470 -0.000 0.000 0.366 65 S C -0.697 173.810 174.600 -0.154 0.000 0.993 65 S CA 0.597 58.693 58.200 -0.173 0.000 1.167 65 S CB -1.071 62.077 63.200 -0.086 0.000 0.909 65 S HN 0.558 nan 8.310 nan 0.000 0.478 66 E N 0.481 120.563 120.200 -0.197 0.000 2.216 66 E HA 0.359 4.709 4.350 -0.000 0.000 0.260 66 E C -0.566 176.034 176.600 -0.001 0.000 0.880 66 E CA -0.455 55.900 56.400 -0.075 0.000 0.765 66 E CB 0.949 30.506 29.700 -0.238 0.000 1.174 66 E HN 0.400 nan 8.360 nan 0.000 0.417 67 Y N 1.709 122.071 120.300 0.103 0.000 2.304 67 Y HA 0.365 4.915 4.550 -0.000 0.000 0.327 67 Y C 0.722 176.700 175.900 0.131 0.000 1.209 67 Y CA -0.208 57.948 58.100 0.093 0.000 1.299 67 Y CB 1.118 39.603 38.460 0.042 0.000 1.249 67 Y HN 0.431 nan 8.280 nan 0.000 0.519 68 I N 2.578 123.311 120.570 0.272 0.000 2.545 68 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 68 I C -1.329 174.848 176.117 0.100 0.000 1.040 68 I CA -0.537 60.879 61.300 0.194 0.000 1.068 68 I CB 0.862 38.988 38.000 0.209 0.000 1.251 68 I HN 0.617 nan 8.210 nan 0.000 0.424 69 C N 6.241 125.439 119.300 -0.171 0.000 2.391 69 C HA 0.689 5.149 4.460 -0.000 0.000 0.339 69 C C -0.721 173.950 174.990 -0.532 0.000 1.205 69 C CA -0.553 58.210 59.018 -0.425 0.000 1.937 69 C CB 0.676 28.003 27.740 -0.689 0.000 2.341 69 C HN 0.691 nan 8.230 nan 0.000 0.516 70 Y N -0.914 119.068 120.300 -0.530 0.000 2.512 70 Y HA 0.736 5.286 4.550 -0.000 0.000 0.348 70 Y C -0.325 175.421 175.900 -0.257 0.000 0.990 70 Y CA -0.948 56.752 58.100 -0.666 0.000 1.033 70 Y CB 0.941 38.863 38.460 -0.897 0.000 1.259 70 Y HN 0.685 nan 8.280 nan 0.000 0.461 71 H N 2.586 121.434 119.070 -0.371 0.000 2.717 71 H HA 0.373 4.929 4.556 -0.000 0.000 0.366 71 H C -1.964 173.330 175.328 -0.057 0.000 1.132 71 H CA -1.032 54.882 56.048 -0.223 0.000 1.180 71 H CB 2.959 32.586 29.762 -0.225 0.000 1.678 71 H HN 0.815 nan 8.280 nan 0.000 0.537 72 F N 2.803 122.706 119.950 -0.079 0.000 2.359 72 F HA 0.100 4.627 4.527 -0.000 0.000 0.369 72 F C 0.534 176.273 175.800 -0.102 0.000 1.084 72 F CA -0.746 57.208 58.000 -0.077 0.000 1.096 72 F CB 0.955 39.925 39.000 -0.050 0.000 1.335 72 F HN 0.485 nan 8.300 nan 0.000 0.457 73 S N 3.569 119.332 115.700 0.105 0.000 2.806 73 S HA -0.170 4.300 4.470 -0.000 0.000 0.334 73 S C 1.330 175.811 174.600 -0.198 0.000 1.226 73 S CA 0.627 58.789 58.200 -0.063 0.000 1.017 73 S CB 0.754 63.917 63.200 -0.062 0.000 0.712 73 S HN 0.875 nan 8.310 nan 0.000 0.491 74 S N 5.073 120.664 115.700 -0.181 0.000 2.407 74 S HA -0.266 4.204 4.470 -0.000 0.000 0.244 74 S C 1.529 175.983 174.600 -0.244 0.000 1.077 74 S CA 2.155 60.225 58.200 -0.217 0.000 1.159 74 S CB -0.479 62.627 63.200 -0.157 0.000 1.045 74 S HN 0.879 nan 8.310 nan 0.000 0.438 75 R N 1.345 121.724 120.500 -0.201 0.000 2.391 75 R HA 0.267 4.607 4.340 -0.000 0.000 0.225 75 R C 0.575 176.692 176.300 -0.305 0.000 1.079 75 R CA 0.454 56.437 56.100 -0.196 0.000 1.147 75 R CB -0.347 29.886 30.300 -0.112 0.000 1.103 75 R HN 0.237 nan 8.270 nan 0.000 0.499 76 S N -0.919 114.438 115.700 -0.570 0.000 3.319 76 S HA -0.237 4.233 4.470 -0.000 0.000 0.319 76 S C 1.207 175.563 174.600 -0.406 0.000 1.236 76 S CA 1.508 59.058 58.200 -1.084 0.000 0.964 76 S CB -1.215 61.424 63.200 -0.934 0.000 1.040 76 S HN 0.556 nan 8.310 nan 0.000 0.620 77 T N 0.673 115.113 114.554 -0.189 0.000 2.668 77 T HA 0.101 4.451 4.350 -0.000 0.000 0.258 77 T C 0.733 175.464 174.700 0.052 0.000 1.051 77 T CA 1.336 63.420 62.100 -0.027 0.000 1.155 77 T CB -0.035 68.826 68.868 -0.011 0.000 0.864 77 T HN 0.398 nan 8.240 nan 0.000 0.413 78 L N 1.036 122.268 121.223 0.014 0.000 2.344 78 L HA 0.710 5.050 4.340 -0.000 0.000 0.272 78 L C -1.170 175.769 176.870 0.114 0.000 1.035 78 L CA -0.926 53.886 54.840 -0.046 0.000 0.807 78 L CB 1.343 43.274 42.059 -0.214 0.000 1.237 78 L HN 0.153 nan 8.230 nan 0.000 0.442 79 L N 3.829 125.071 121.223 0.032 0.000 2.454 79 L HA 0.501 4.841 4.340 -0.000 0.000 0.258 79 L C -0.507 176.340 176.870 -0.038 0.000 1.025 79 L CA 0.172 55.022 54.840 0.017 0.000 0.901 79 L CB 1.048 43.067 42.059 -0.067 0.000 1.210 79 L HN 0.760 nan 8.230 nan 0.000 0.457 80 T N 3.262 117.765 114.554 -0.085 0.000 2.868 80 T HA 0.489 4.839 4.350 -0.000 0.000 0.292 80 T C -0.647 173.922 174.700 -0.218 0.000 1.028 80 T CA 0.464 62.512 62.100 -0.087 0.000 1.059 80 T CB 0.535 69.327 68.868 -0.127 0.000 0.991 80 T HN 0.281 nan 8.240 nan 0.000 0.531 81 F N 1.547 121.416 119.950 -0.134 0.000 2.588 81 F HA 0.604 5.131 4.527 -0.000 0.000 0.310 81 F C -0.819 174.910 175.800 -0.118 0.000 1.082 81 F CA -0.835 57.055 58.000 -0.184 0.000 0.929 81 F CB 2.014 40.915 39.000 -0.165 0.000 1.254 81 F HN 0.672 nan 8.300 nan 0.000 0.455 82 Y N 1.062 121.427 120.300 0.108 0.000 2.662 82 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 82 Y C -3.519 172.425 175.900 0.073 0.000 1.185 82 Y CA -3.293 54.843 58.100 0.060 0.000 1.074 82 Y CB 0.745 39.282 38.460 0.128 0.000 1.330 82 Y HN 0.229 nan 8.280 nan 0.000 0.458 83 P HA 0.166 nan 4.420 nan 0.000 0.297 83 P C 0.401 177.910 177.300 0.348 0.000 1.331 83 P CA -0.356 62.938 63.100 0.324 0.000 0.803 83 P CB 2.316 34.180 31.700 0.273 0.000 0.929 84 L N 4.869 126.248 121.223 0.260 0.000 1.990 84 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 84 L C 2.180 179.070 176.870 0.033 0.000 1.072 84 L CA 2.776 57.655 54.840 0.065 0.000 0.755 84 L CB -1.533 40.392 42.059 -0.224 0.000 0.889 84 L HN 0.397 nan 8.230 nan 0.000 0.432 85 S N -1.726 114.025 115.700 0.084 0.000 2.584 85 S HA -0.084 4.386 4.470 -0.000 0.000 0.240 85 S C 0.597 175.218 174.600 0.036 0.000 0.975 85 S CA 0.814 59.062 58.200 0.080 0.000 0.949 85 S CB -0.474 62.790 63.200 0.107 0.000 0.761 85 S HN 0.662 nan 8.310 nan 0.000 0.536 86 D N -0.367 120.081 120.400 0.080 0.000 3.117 86 D HA 0.476 5.116 4.640 -0.000 0.000 0.241 86 D C 0.571 176.906 176.300 0.059 0.000 1.385 86 D CA 0.221 54.270 54.000 0.081 0.000 0.855 86 D CB 0.202 41.080 40.800 0.130 0.000 1.498 86 D HN 0.052 nan 8.370 nan 0.000 0.584 87 A N 1.249 124.068 122.820 -0.002 0.000 1.877 87 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 87 A C 1.813 179.233 177.584 -0.272 0.000 1.186 87 A CA 1.225 53.164 52.037 -0.163 0.000 0.620 87 A CB -0.666 18.158 19.000 -0.293 0.000 0.822 87 A HN 0.548 nan 8.150 nan 0.000 0.443 88 Y N 0.151 120.218 120.300 -0.388 0.000 2.092 88 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 88 Y C 2.702 178.287 175.900 -0.526 0.000 1.126 88 Y CA 2.270 59.995 58.100 -0.624 0.000 1.111 88 Y CB -0.368 37.344 38.460 -1.246 0.000 0.987 88 Y HN 0.473 nan 8.280 nan 0.000 0.489 89 H N -0.578 118.362 119.070 -0.216 0.000 2.372 89 H HA 0.107 4.663 4.556 -0.000 0.000 0.301 89 H C 1.458 176.692 175.328 -0.157 0.000 1.065 89 H CA 0.686 56.616 56.048 -0.196 0.000 1.364 89 H CB -0.979 28.791 29.762 0.013 0.000 1.406 89 H HN 0.363 nan 8.280 nan 0.000 0.521 90 G N 1.158 109.980 108.800 0.036 0.000 2.855 90 G HA2 0.017 3.977 3.960 -0.000 0.000 0.248 90 G HA3 0.017 3.977 3.960 -0.000 0.000 0.248 90 G C 0.113 174.968 174.900 -0.075 0.000 1.243 90 G CA -0.344 44.763 45.100 0.013 0.000 0.881 90 G HN 0.242 nan 8.290 nan 0.000 0.598 91 K N -1.140 119.207 120.400 -0.089 0.000 2.156 91 K HA 0.568 4.888 4.320 -0.000 0.000 0.254 91 K C -0.239 176.303 176.600 -0.097 0.000 0.950 91 K CA -0.561 55.646 56.287 -0.133 0.000 0.849 91 K CB 1.425 33.799 32.500 -0.209 0.000 1.100 91 K HN 0.645 nan 8.250 nan 0.000 0.434 92 T N 1.083 115.605 114.554 -0.055 0.000 2.893 92 T HA 0.561 4.911 4.350 -0.000 0.000 0.291 92 T C -0.351 174.341 174.700 -0.012 0.000 1.028 92 T CA -0.845 61.279 62.100 0.041 0.000 0.995 92 T CB 0.709 69.690 68.868 0.190 0.000 1.051 92 T HN 0.457 nan 8.240 nan 0.000 0.470 93 I N 2.723 123.303 120.570 0.016 0.000 2.441 93 I HA 0.417 4.587 4.170 -0.000 0.000 0.295 93 I C -0.445 175.706 176.117 0.056 0.000 0.994 93 I CA -1.065 60.241 61.300 0.011 0.000 1.144 93 I CB 1.873 39.850 38.000 -0.038 0.000 1.314 93 I HN 0.604 nan 8.210 nan 0.000 0.445 94 N N 6.383 125.090 118.700 0.012 0.000 3.012 94 N HA 0.387 5.127 4.740 -0.000 0.000 0.270 94 N C -0.451 174.979 175.510 -0.134 0.000 1.469 94 N CA -0.296 52.707 53.050 -0.077 0.000 0.928 94 N CB 0.408 38.823 38.487 -0.120 0.000 1.219 94 N HN 0.472 nan 8.380 nan 0.000 0.492 95 I N 2.038 122.589 120.570 -0.032 0.000 2.725 95 I HA -0.105 4.065 4.170 -0.000 0.000 0.296 95 I C 0.819 176.893 176.117 -0.072 0.000 1.155 95 I CA 0.322 61.623 61.300 0.001 0.000 1.450 95 I CB -0.326 37.726 38.000 0.086 0.000 1.478 95 I HN 0.306 nan 8.210 nan 0.000 0.642 96 H N 6.379 125.367 119.070 -0.135 0.000 2.745 96 H HA 0.384 4.940 4.556 -0.000 0.000 0.373 96 H C -0.019 175.239 175.328 -0.115 0.000 1.226 96 H CA 0.229 56.150 56.048 -0.211 0.000 1.435 96 H CB 1.196 30.623 29.762 -0.558 0.000 1.461 96 H HN 0.419 nan 8.280 nan 0.000 0.616 97 L N 2.353 123.615 121.223 0.065 0.000 2.354 97 L HA 0.209 4.549 4.340 -0.000 0.000 0.264 97 L C -1.126 175.747 176.870 0.006 0.000 1.008 97 L CA -1.832 53.018 54.840 0.016 0.000 0.819 97 L CB 2.574 44.674 42.059 0.067 0.000 1.339 97 L HN 0.455 nan 8.230 nan 0.000 0.420 98 P HA -0.099 nan 4.420 nan 0.000 0.215 98 P C -0.195 177.117 177.300 0.020 0.000 1.153 98 P CA 1.226 64.321 63.100 -0.008 0.000 0.853 98 P CB 0.415 32.104 31.700 -0.019 0.000 0.788 99 N N -2.199 116.519 118.700 0.030 0.000 3.134 99 N HA 0.261 5.001 4.740 -0.000 0.000 0.235 99 N C -1.228 174.307 175.510 0.041 0.000 1.092 99 N CA -0.222 52.849 53.050 0.034 0.000 1.038 99 N CB 1.751 40.260 38.487 0.036 0.000 1.684 99 N HN 0.045 nan 8.380 nan 0.000 0.551 100 A N 1.471 124.302 122.820 0.017 0.000 2.617 100 A HA 0.034 4.354 4.320 -0.000 0.000 0.232 100 A C 0.980 178.585 177.584 0.036 0.000 1.027 100 A CA 1.063 53.094 52.037 -0.009 0.000 0.806 100 A CB -0.347 18.628 19.000 -0.043 0.000 0.908 100 A HN 0.727 nan 8.150 nan 0.000 0.484 101 S N 2.358 118.094 115.700 0.059 0.000 2.634 101 S HA 0.414 4.884 4.470 -0.000 0.000 0.261 101 S C 1.128 175.773 174.600 0.075 0.000 1.271 101 S CA 0.251 58.515 58.200 0.107 0.000 0.985 101 S CB 0.454 63.776 63.200 0.203 0.000 0.968 101 S HN 0.749 nan 8.310 nan 0.000 0.568 102 M N 1.249 120.900 119.600 0.085 0.000 2.315 102 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 102 M C 0.819 177.187 176.300 0.114 0.000 1.075 102 M CA 1.882 57.234 55.300 0.087 0.000 1.093 102 M CB -1.009 31.631 32.600 0.067 0.000 1.251 102 M HN 0.841 nan 8.290 nan 0.000 0.449 103 N N 0.679 119.477 118.700 0.163 0.000 3.044 103 N HA 0.232 4.972 4.740 -0.000 0.000 0.254 103 N C -1.072 174.611 175.510 0.289 0.000 1.253 103 N CA -0.073 53.110 53.050 0.221 0.000 0.944 103 N CB 0.007 38.656 38.487 0.270 0.000 1.217 103 N HN 0.446 nan 8.380 nan 0.000 0.498 104 Q N -0.298 119.596 119.800 0.157 0.000 1.341 104 Q HA -0.379 3.961 4.340 -0.000 0.000 0.428 104 Q C 0.854 176.929 176.000 0.124 0.000 0.983 104 Q CA 1.907 57.748 55.803 0.063 0.000 0.569 104 Q CB -0.597 28.169 28.738 0.046 0.000 4.882 104 Q HN 0.690 nan 8.270 nan 0.000 0.593 105 R N -0.310 120.179 120.500 -0.018 0.000 2.438 105 R HA -0.184 4.156 4.340 -0.000 0.000 0.227 105 R C 1.217 177.307 176.300 -0.350 0.000 1.153 105 R CA 2.275 58.314 56.100 -0.102 0.000 1.059 105 R CB -0.486 29.595 30.300 -0.365 0.000 0.831 105 R HN 0.518 nan 8.270 nan 0.000 0.487 106 Y N 0.497 120.819 120.300 0.037 0.000 2.301 106 Y HA 0.038 4.588 4.550 -0.000 0.000 0.295 106 Y C 1.822 177.726 175.900 0.007 0.000 1.119 106 Y CA 1.260 59.390 58.100 0.050 0.000 1.162 106 Y CB -0.276 38.257 38.460 0.123 0.000 1.046 106 Y HN 0.257 nan 8.280 nan 0.000 0.538 107 T N -0.323 114.337 114.554 0.177 0.000 3.467 107 T HA 0.348 4.698 4.350 -0.000 0.000 0.232 107 T C -0.277 174.439 174.700 0.028 0.000 0.876 107 T CA -0.085 62.069 62.100 0.090 0.000 0.939 107 T CB -1.190 67.742 68.868 0.106 0.000 1.165 107 T HN 0.195 nan 8.240 nan 0.000 0.615 108 L N 0.110 121.303 121.223 -0.050 0.000 2.549 108 L HA 0.682 5.022 4.340 -0.000 0.000 0.259 108 L C -1.434 175.308 176.870 -0.213 0.000 0.934 108 L CA -0.340 54.411 54.840 -0.149 0.000 0.865 108 L CB 2.292 44.221 42.059 -0.216 0.000 1.352 108 L HN 0.288 nan 8.230 nan 0.000 0.410 109 T N 4.752 119.161 114.554 -0.241 0.000 2.916 109 T HA 0.681 5.031 4.350 -0.000 0.000 0.305 109 T C -1.367 173.135 174.700 -0.329 0.000 1.119 109 T CA -0.336 61.596 62.100 -0.281 0.000 1.008 109 T CB 1.333 70.049 68.868 -0.254 0.000 1.129 109 T HN 0.458 nan 8.240 nan 0.000 0.480 110 I N 4.716 125.055 120.570 -0.385 0.000 2.468 110 I HA 0.424 4.594 4.170 -0.000 0.000 0.284 110 I C -0.751 175.120 176.117 -0.409 0.000 1.038 110 I CA -0.780 60.280 61.300 -0.401 0.000 1.083 110 I CB 1.649 39.328 38.000 -0.537 0.000 1.223 110 I HN 0.437 nan 8.210 nan 0.000 0.443 111 Q N 4.999 124.540 119.800 -0.431 0.000 2.372 111 Q HA 0.327 4.667 4.340 -0.000 0.000 0.273 111 Q C -0.841 175.016 176.000 -0.238 0.000 1.078 111 Q CA -0.702 54.846 55.803 -0.425 0.000 0.806 111 Q CB 3.034 31.256 28.738 -0.860 0.000 1.332 111 Q HN 0.564 nan 8.270 nan 0.000 0.435 112 E N 2.396 122.510 120.200 -0.144 0.000 1.941 112 E HA 0.190 4.540 4.350 -0.000 0.000 0.275 112 E C 0.386 176.966 176.600 -0.033 0.000 1.113 112 E CA -0.165 56.192 56.400 -0.072 0.000 0.878 112 E CB 0.493 30.168 29.700 -0.043 0.000 1.070 112 E HN 0.403 nan 8.360 nan 0.000 0.399 113 V N 4.287 124.194 119.914 -0.012 0.000 2.232 113 V HA -0.225 3.894 4.120 -0.000 0.000 0.241 113 V C 0.430 176.544 176.094 0.033 0.000 1.036 113 V CA 1.572 63.895 62.300 0.039 0.000 0.993 113 V CB -0.313 31.546 31.823 0.060 0.000 0.639 113 V HN 0.716 nan 8.190 nan 0.000 0.459 114 E N -0.266 119.950 120.200 0.027 0.000 2.542 114 E HA 0.291 4.641 4.350 -0.000 0.000 0.298 114 E C -0.903 175.709 176.600 0.019 0.000 0.980 114 E CA -0.362 56.051 56.400 0.022 0.000 0.792 114 E CB 1.372 31.088 29.700 0.027 0.000 1.463 114 E HN 0.323 nan 8.360 nan 0.000 0.389 115 Q N 0.336 120.145 119.800 0.015 0.000 2.494 115 Q HA -0.237 4.103 4.340 -0.000 0.000 0.266 115 Q C -0.549 175.466 176.000 0.025 0.000 1.053 115 Q CA 1.333 57.150 55.803 0.023 0.000 1.029 115 Q CB -1.430 27.321 28.738 0.022 0.000 1.423 115 Q HN 0.714 nan 8.270 nan 0.000 0.516 116 Q N -0.785 119.023 119.800 0.013 0.000 2.522 116 Q HA 0.635 4.975 4.340 -0.000 0.000 0.285 116 Q C -1.071 174.911 176.000 -0.030 0.000 0.982 116 Q CA -0.730 55.072 55.803 -0.002 0.000 0.805 116 Q CB 1.706 30.451 28.738 0.012 0.000 1.457 116 Q HN 0.193 nan 8.270 nan 0.000 0.394 117 L N 2.546 123.728 121.223 -0.068 0.000 2.296 117 L HA 0.470 4.810 4.340 -0.000 0.000 0.286 117 L C -0.990 175.825 176.870 -0.092 0.000 1.023 117 L CA -0.821 53.955 54.840 -0.107 0.000 0.812 117 L CB 1.188 43.134 42.059 -0.189 0.000 1.223 117 L HN 0.399 nan 8.230 nan 0.000 0.421 118 L N 5.254 126.420 121.223 -0.095 0.000 2.276 118 L HA 0.470 4.810 4.340 -0.000 0.000 0.286 118 L C -0.454 176.341 176.870 -0.125 0.000 1.024 118 L CA -0.213 54.588 54.840 -0.066 0.000 0.826 118 L CB 1.547 43.597 42.059 -0.015 0.000 1.211 118 L HN 0.212 nan 8.230 nan 0.000 0.422 119 V N 5.031 124.882 119.914 -0.105 0.000 2.483 119 V HA 0.582 4.702 4.120 -0.000 0.000 0.295 119 V C -0.286 175.703 176.094 -0.176 0.000 1.035 119 V CA -0.808 61.403 62.300 -0.149 0.000 0.896 119 V CB 1.674 33.434 31.823 -0.104 0.000 0.986 119 V HN 0.755 nan 8.190 nan 0.000 0.447 120 N N 2.891 121.449 118.700 -0.237 0.000 2.295 120 N HA 0.636 5.376 4.740 -0.000 0.000 0.293 120 N C -1.520 173.808 175.510 -0.304 0.000 1.040 120 N CA -0.356 52.472 53.050 -0.370 0.000 0.840 120 N CB 2.813 41.103 38.487 -0.327 0.000 1.468 120 N HN 0.381 nan 8.380 nan 0.000 0.478 121 V N 3.104 122.820 119.914 -0.329 0.000 2.498 121 V HA 0.283 4.403 4.120 -0.000 0.000 0.283 121 V C 0.223 176.288 176.094 -0.048 0.000 1.015 121 V CA -0.581 61.637 62.300 -0.137 0.000 0.867 121 V CB 1.394 33.171 31.823 -0.076 0.000 1.025 121 V HN 0.614 nan 8.190 nan 0.000 0.441 122 I N 5.860 126.459 120.570 0.048 0.000 2.593 122 I HA 0.056 4.226 4.170 -0.000 0.000 0.304 122 I C 0.659 176.823 176.117 0.078 0.000 1.176 122 I CA 0.323 61.690 61.300 0.111 0.000 1.533 122 I CB -0.184 37.818 38.000 0.003 0.000 1.492 122 I HN 0.456 nan 8.210 nan 0.000 0.704 123 L N 6.166 127.445 121.223 0.094 0.000 2.473 123 L HA -0.031 4.309 4.340 -0.000 0.000 0.280 123 L C 1.840 178.766 176.870 0.094 0.000 1.266 123 L CA 0.092 54.986 54.840 0.091 0.000 0.824 123 L CB 0.106 42.216 42.059 0.086 0.000 1.091 123 L HN 0.527 nan 8.230 nan 0.000 0.534 124 K N 0.872 121.321 120.400 0.083 0.000 1.991 124 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 124 K C 1.498 178.165 176.600 0.110 0.000 1.049 124 K CA 2.216 58.554 56.287 0.085 0.000 0.932 124 K CB -0.450 32.090 32.500 0.067 0.000 0.717 124 K HN 0.856 nan 8.250 nan 0.000 0.441 125 D N -0.804 119.660 120.400 0.106 0.000 2.397 125 D HA -0.141 4.499 4.640 -0.000 0.000 0.219 125 D C 1.048 177.451 176.300 0.172 0.000 0.975 125 D CA 1.268 55.339 54.000 0.119 0.000 0.940 125 D CB -0.282 40.577 40.800 0.099 0.000 0.884 125 D HN 0.461 nan 8.370 nan 0.000 0.505 126 G N -1.378 107.550 108.800 0.214 0.000 2.175 126 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 126 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 126 G C 0.476 175.616 174.900 0.399 0.000 0.982 126 G CA 0.173 45.495 45.100 0.370 0.000 0.641 126 G HN 0.478 nan 8.290 nan 0.000 0.527 127 S N -0.685 115.175 115.700 0.266 0.000 2.596 127 S HA 0.582 5.052 4.470 -0.000 0.000 0.260 127 S C -0.346 174.468 174.600 0.356 0.000 1.336 127 S CA 0.180 58.539 58.200 0.265 0.000 0.993 127 S CB 0.854 64.160 63.200 0.177 0.000 0.923 127 S HN 0.758 nan 8.310 nan 0.000 0.567 128 F N 2.345 122.386 119.950 0.153 0.000 2.564 128 F HA 0.417 4.944 4.527 -0.000 0.000 0.368 128 F C -0.817 175.065 175.800 0.136 0.000 1.127 128 F CA -1.213 56.864 58.000 0.130 0.000 1.170 128 F CB 0.229 39.322 39.000 0.154 0.000 1.397 128 F HN 0.289 nan 8.300 nan 0.000 0.493 129 L N 4.345 125.484 121.223 -0.140 0.000 2.410 129 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 129 L C -0.280 176.422 176.870 -0.279 0.000 1.152 129 L CA 0.709 55.477 54.840 -0.121 0.000 0.855 129 L CB 0.685 42.701 42.059 -0.072 0.000 1.129 129 L HN 0.537 nan 8.230 nan 0.000 0.463 130 T N 6.663 121.168 114.554 -0.081 0.000 2.906 130 T HA 0.488 4.838 4.350 -0.000 0.000 0.302 130 T C -0.233 174.425 174.700 -0.070 0.000 1.002 130 T CA -0.443 61.627 62.100 -0.051 0.000 0.988 130 T CB 0.636 69.640 68.868 0.227 0.000 0.972 130 T HN 0.414 nan 8.240 nan 0.000 0.447 131 L N 3.148 124.349 121.223 -0.036 0.000 2.360 131 L HA 0.573 4.913 4.340 -0.000 0.000 0.271 131 L C 0.190 177.090 176.870 0.049 0.000 1.057 131 L CA -0.847 54.024 54.840 0.052 0.000 0.803 131 L CB 1.105 43.238 42.059 0.123 0.000 1.207 131 L HN 0.535 nan 8.230 nan 0.000 0.445 132 Q N 4.005 123.874 119.800 0.114 0.000 2.414 132 Q HA 0.514 4.854 4.340 -0.000 0.000 0.256 132 Q C -1.466 174.571 176.000 0.062 0.000 0.974 132 Q CA -0.262 55.589 55.803 0.080 0.000 0.723 132 Q CB 2.167 30.965 28.738 0.101 0.000 1.281 132 Q HN 0.489 nan 8.270 nan 0.000 0.470 133 L N 3.361 124.561 121.223 -0.039 0.000 2.296 133 L HA 0.563 4.903 4.340 -0.000 0.000 0.286 133 L C -2.359 174.477 176.870 -0.057 0.000 1.023 133 L CA -2.260 52.519 54.840 -0.103 0.000 0.812 133 L CB 1.327 43.249 42.059 -0.229 0.000 1.223 133 L HN 0.226 nan 8.230 nan 0.000 0.421 134 P HA 0.031 nan 4.420 nan 0.000 0.271 134 P C 0.469 177.793 177.300 0.039 0.000 1.216 134 P CA -0.408 62.706 63.100 0.024 0.000 0.776 134 P CB 0.930 32.653 31.700 0.038 0.000 0.881 135 L N 3.775 125.032 121.223 0.057 0.000 1.989 135 L HA -0.241 4.098 4.340 -0.000 0.000 0.211 135 L C 2.216 179.188 176.870 0.169 0.000 1.071 135 L CA 2.578 57.489 54.840 0.118 0.000 0.749 135 L CB -1.505 40.640 42.059 0.144 0.000 0.890 135 L HN 0.430 nan 8.230 nan 0.000 0.431 136 S N -1.306 114.486 115.700 0.153 0.000 2.400 136 S HA -0.292 4.177 4.470 -0.000 0.000 0.232 136 S C 2.017 176.673 174.600 0.093 0.000 1.025 136 S CA 1.349 59.642 58.200 0.154 0.000 0.993 136 S CB -1.389 61.876 63.200 0.109 0.000 0.808 136 S HN 0.420 nan 8.310 nan 0.000 0.478 137 F N 2.149 122.049 119.950 -0.083 0.000 2.546 137 F HA 0.225 4.752 4.527 -0.000 0.000 0.298 137 F C 1.520 177.182 175.800 -0.230 0.000 1.120 137 F CA 0.168 58.078 58.000 -0.150 0.000 1.456 137 F CB -0.304 38.577 39.000 -0.197 0.000 1.088 137 F HN 0.168 nan 8.300 nan 0.000 0.572 138 L N -1.655 119.268 121.223 -0.500 0.000 2.145 138 L HA -0.030 4.310 4.340 -0.000 0.000 0.201 138 L C 1.368 177.764 176.870 -0.790 0.000 1.075 138 L CA 0.689 55.032 54.840 -0.827 0.000 0.773 138 L CB -0.605 40.803 42.059 -1.086 0.000 0.936 138 L HN -0.063 nan 8.230 nan 0.000 0.451 139 F N -0.124 119.741 119.950 -0.141 0.000 2.660 139 F HA 0.144 4.671 4.527 -0.000 0.000 0.302 139 F C 1.550 177.300 175.800 -0.083 0.000 1.103 139 F CA -0.391 57.556 58.000 -0.089 0.000 1.340 139 F CB -0.486 38.485 39.000 -0.049 0.000 1.048 139 F HN 0.005 nan 8.300 nan 0.000 0.551 140 S N -1.497 114.184 115.700 -0.032 0.000 2.561 140 S HA 0.372 4.842 4.470 -0.000 0.000 0.282 140 S C 1.322 175.888 174.600 -0.058 0.000 1.123 140 S CA 0.266 58.460 58.200 -0.010 0.000 1.011 140 S CB 1.055 64.266 63.200 0.018 0.000 1.244 140 S HN -0.003 nan 8.310 nan 0.000 0.503 141 S N -0.502 115.183 115.700 -0.026 0.000 2.599 141 S HA 0.445 4.914 4.470 -0.000 0.000 0.236 141 S C 0.904 175.498 174.600 -0.012 0.000 1.077 141 S CA 0.332 58.515 58.200 -0.028 0.000 0.906 141 S CB -1.103 62.095 63.200 -0.003 0.000 0.804 141 S HN 1.262 nan 8.310 nan 0.000 0.497 142 A N 1.943 124.793 122.820 0.051 0.000 2.602 142 A HA -0.059 4.261 4.320 -0.000 0.000 0.257 142 A C 0.421 178.105 177.584 0.167 0.000 0.973 142 A CA 0.695 52.815 52.037 0.139 0.000 0.862 142 A CB -0.501 18.661 19.000 0.269 0.000 0.855 142 A HN 0.648 nan 8.150 nan 0.000 0.492 143 N N 0.489 119.260 118.700 0.117 0.000 2.268 143 N HA 0.180 4.920 4.740 -0.000 0.000 0.204 143 N C -0.635 174.955 175.510 0.132 0.000 1.124 143 N CA 0.671 53.784 53.050 0.105 0.000 0.838 143 N CB 0.584 39.104 38.487 0.055 0.000 0.994 143 N HN 0.647 nan 8.380 nan 0.000 0.489 144 T N -0.213 114.432 114.554 0.152 0.000 2.889 144 T HA 0.437 4.787 4.350 -0.000 0.000 0.315 144 T C -1.829 172.763 174.700 -0.181 0.000 1.291 144 T CA -0.570 61.544 62.100 0.024 0.000 1.028 144 T CB 2.101 70.976 68.868 0.011 0.000 1.235 144 T HN -0.173 nan 8.240 nan 0.000 0.491 145 L N 3.191 124.200 121.223 -0.358 0.000 2.439 145 L HA 0.637 4.977 4.340 -0.000 0.000 0.270 145 L C -1.265 175.482 176.870 -0.205 0.000 0.972 145 L CA -0.347 54.130 54.840 -0.606 0.000 0.836 145 L CB 1.364 42.644 42.059 -1.298 0.000 1.255 145 L HN 0.562 nan 8.230 nan 0.000 0.404 146 N N 3.086 121.726 118.700 -0.099 0.000 2.402 146 N HA 0.883 5.623 4.740 -0.000 0.000 0.294 146 N C -0.028 175.524 175.510 0.071 0.000 1.203 146 N CA 0.158 53.232 53.050 0.039 0.000 0.838 146 N CB 2.162 40.654 38.487 0.008 0.000 1.306 146 N HN 0.918 nan 8.380 nan 0.000 0.510 147 G N 0.394 109.236 108.800 0.070 0.000 2.472 147 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.205 147 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.205 147 G C -1.307 173.598 174.900 0.009 0.000 1.270 147 G CA -0.713 44.407 45.100 0.033 0.000 0.974 147 G HN 0.528 nan 8.290 nan 0.000 0.542 148 E N 1.594 121.783 120.200 -0.018 0.000 2.063 148 E HA 0.290 4.640 4.350 -0.000 0.000 0.265 148 E C 0.766 177.338 176.600 -0.047 0.000 0.919 148 E CA -0.501 55.823 56.400 -0.126 0.000 0.756 148 E CB 0.300 29.956 29.700 -0.073 0.000 1.120 148 E HN 0.605 nan 8.360 nan 0.000 0.414 149 W N 3.917 125.101 121.300 -0.192 0.000 2.901 149 W HA 0.169 4.829 4.660 -0.000 0.000 0.281 149 W C 0.054 176.430 176.519 -0.237 0.000 1.167 149 W CA -0.279 56.965 57.345 -0.167 0.000 1.506 149 W CB 0.025 29.414 29.460 -0.120 0.000 0.985 149 W HN 0.200 nan 8.180 nan 0.000 0.590 150 F N 3.034 122.391 119.950 -0.987 0.000 2.563 150 F HA 0.704 5.231 4.527 -0.000 0.000 0.316 150 F C -1.341 173.999 175.800 -0.767 0.000 1.076 150 F CA -1.936 55.484 58.000 -0.966 0.000 0.921 150 F CB 0.923 39.216 39.000 -1.178 0.000 1.209 150 F HN 0.021 nan 8.300 nan 0.000 0.462 151 H N 2.787 121.891 119.070 0.057 0.000 3.129 151 H HA 0.533 5.088 4.556 -0.000 0.000 0.342 151 H C -1.441 173.938 175.328 0.084 0.000 1.092 151 H CA -1.356 54.688 56.048 -0.006 0.000 1.310 151 H CB 0.127 29.829 29.762 -0.100 0.000 1.932 151 H HN 0.860 nan 8.280 nan 0.000 0.507 152 L N 1.443 122.813 121.223 0.244 0.000 2.598 152 L HA 0.471 4.811 4.340 -0.000 0.000 0.202 152 L C 0.441 177.414 176.870 0.171 0.000 1.190 152 L CA -0.147 54.805 54.840 0.187 0.000 0.869 152 L CB 0.379 42.528 42.059 0.151 0.000 1.529 152 L HN 0.821 nan 8.230 nan 0.000 0.520 153 Q N -0.979 118.927 119.800 0.176 0.000 3.107 153 Q HA 0.214 4.554 4.340 -0.000 0.000 0.319 153 Q C -1.830 174.285 176.000 0.191 0.000 0.868 153 Q CA -0.618 55.285 55.803 0.167 0.000 0.825 153 Q CB 0.990 29.883 28.738 0.258 0.000 1.553 153 Q HN 0.589 nan 8.270 nan 0.000 0.489 154 N N 0.570 119.358 118.700 0.147 0.000 2.570 154 N HA 0.175 4.915 4.740 -0.000 0.000 0.261 154 N C -2.521 173.017 175.510 0.048 0.000 1.540 154 N CA -0.261 52.864 53.050 0.124 0.000 0.959 154 N CB 1.272 39.802 38.487 0.073 0.000 1.449 154 N HN 0.287 nan 8.380 nan 0.000 0.519 155 P HA -0.023 nan 4.420 nan 0.000 0.249 155 P C -0.891 176.397 177.300 -0.019 0.000 1.227 155 P CA 1.033 64.145 63.100 0.019 0.000 0.753 155 P CB -0.332 31.392 31.700 0.041 0.000 0.966 156 Y N -1.520 118.584 120.300 -0.326 0.000 2.638 156 Y HA 0.222 4.772 4.550 -0.000 0.000 0.334 156 Y C -1.549 173.956 175.900 -0.659 0.000 1.182 156 Y CA -1.541 56.213 58.100 -0.576 0.000 1.102 156 Y CB 0.926 38.829 38.460 -0.929 0.000 1.343 156 Y HN -0.364 nan 8.280 nan 0.000 0.463 157 D N 3.520 123.072 120.400 -1.412 0.000 2.494 157 D HA 0.230 4.870 4.640 -0.000 0.000 0.217 157 D C -0.530 175.416 176.300 -0.589 0.000 1.153 157 D CA -0.016 53.496 54.000 -0.813 0.000 0.954 157 D CB -0.187 40.240 40.800 -0.621 0.000 1.034 157 D HN 0.365 nan 8.370 nan 0.000 0.518 158 F N 1.779 121.792 119.950 0.106 0.000 2.703 158 F HA 0.113 4.640 4.527 -0.000 0.000 0.299 158 F C 1.975 177.856 175.800 0.135 0.000 1.229 158 F CA 0.069 58.225 58.000 0.260 0.000 1.430 158 F CB -0.335 38.811 39.000 0.243 0.000 1.053 158 F HN 0.287 nan 8.300 nan 0.000 0.513 159 T N -1.161 113.485 114.554 0.153 0.000 2.976 159 T HA -0.050 4.300 4.350 -0.000 0.000 0.257 159 T C 2.201 176.969 174.700 0.113 0.000 1.051 159 T CA 1.346 63.510 62.100 0.107 0.000 1.141 159 T CB -0.186 68.699 68.868 0.028 0.000 0.881 159 T HN 0.228 nan 8.240 nan 0.000 0.461 160 V N 0.515 120.490 119.914 0.101 0.000 2.284 160 V HA 0.212 4.332 4.120 -0.000 0.000 0.236 160 V C 0.859 177.063 176.094 0.183 0.000 1.044 160 V CA 0.479 62.849 62.300 0.116 0.000 1.019 160 V CB -0.643 31.228 31.823 0.080 0.000 0.657 160 V HN 0.163 nan 8.190 nan 0.000 0.465 161 R N 1.231 121.895 120.500 0.273 0.000 2.565 161 R HA 0.577 4.917 4.340 -0.000 0.000 0.286 161 R C -0.532 175.982 176.300 0.356 0.000 1.256 161 R CA -0.233 56.035 56.100 0.279 0.000 1.238 161 R CB 1.192 31.656 30.300 0.274 0.000 1.153 161 R HN 0.430 nan 8.270 nan 0.000 0.553 162 V N 4.669 124.741 119.914 0.264 0.000 2.715 162 V HA 0.220 4.340 4.120 -0.000 0.000 0.299 162 V C -1.811 174.375 176.094 0.154 0.000 1.054 162 V CA -1.480 60.966 62.300 0.243 0.000 1.077 162 V CB 1.159 33.084 31.823 0.170 0.000 0.972 162 V HN 0.563 nan 8.190 nan 0.000 0.484 163 P HA 0.450 nan 4.420 nan 0.000 0.301 163 P C -0.875 176.551 177.300 0.210 0.000 1.309 163 P CA 0.100 63.245 63.100 0.074 0.000 0.782 163 P CB 1.428 33.023 31.700 -0.176 0.000 1.282 164 H N -3.017 116.125 119.070 0.119 0.000 3.723 164 H HA 0.214 4.770 4.556 -0.000 0.000 0.254 164 H C -1.294 174.212 175.328 0.296 0.000 1.097 164 H CA -0.091 56.054 56.048 0.162 0.000 1.170 164 H CB -0.382 29.453 29.762 0.123 0.000 1.378 164 H HN 0.262 nan 8.280 nan 0.000 0.834 165 F N 2.957 122.967 119.950 0.100 0.000 2.622 165 F HA 0.453 4.980 4.527 -0.000 0.000 0.338 165 F C -0.959 175.011 175.800 0.283 0.000 1.334 165 F CA -1.331 56.711 58.000 0.071 0.000 1.179 165 F CB 0.343 39.268 39.000 -0.124 0.000 1.471 165 F HN 0.033 nan 8.300 nan 0.000 0.576 166 L N 4.017 125.195 121.223 -0.075 0.000 2.499 166 L HA 0.236 4.576 4.340 -0.000 0.000 0.273 166 L C -0.911 175.752 176.870 -0.345 0.000 1.195 166 L CA 0.738 55.487 54.840 -0.151 0.000 0.882 166 L CB -0.066 41.955 42.059 -0.063 0.000 1.133 166 L HN 0.486 nan 8.230 nan 0.000 0.483 167 F N 4.789 124.491 119.950 -0.414 0.000 2.671 167 F HA 0.507 5.034 4.527 -0.000 0.000 0.373 167 F C -1.267 174.445 175.800 -0.147 0.000 1.122 167 F CA -0.544 57.236 58.000 -0.365 0.000 1.082 167 F CB 1.339 40.178 39.000 -0.268 0.000 1.399 167 F HN 0.405 nan 8.300 nan 0.000 0.509 168 Y N 1.711 121.770 120.300 -0.402 0.000 2.332 168 Y HA 0.488 5.038 4.550 -0.000 0.000 0.325 168 Y C -0.978 174.958 175.900 0.060 0.000 1.054 168 Y CA -0.652 57.331 58.100 -0.196 0.000 1.119 168 Y CB 1.228 39.502 38.460 -0.309 0.000 1.168 168 Y HN 0.342 nan 8.280 nan 0.000 0.439 169 V N 2.700 122.289 119.914 -0.541 0.000 2.735 169 V HA 0.266 4.386 4.120 -0.000 0.000 0.234 169 V C 0.253 176.036 176.094 -0.518 0.000 1.121 169 V CA 0.889 62.988 62.300 -0.334 0.000 1.160 169 V CB 0.136 31.840 31.823 -0.199 0.000 0.908 169 V HN 0.650 nan 8.190 nan 0.000 0.495 170 S N -0.461 114.915 115.700 -0.540 0.000 2.709 170 S HA 0.477 4.947 4.470 -0.000 0.000 0.302 170 S C -2.237 172.209 174.600 -0.257 0.000 1.127 170 S CA -0.835 57.194 58.200 -0.285 0.000 0.905 170 S CB 1.923 65.122 63.200 -0.003 0.000 1.151 170 S HN 0.039 nan 8.310 nan 0.000 0.510 171 P HA -0.121 nan 4.420 nan 0.000 0.218 171 P C 1.317 178.756 177.300 0.231 0.000 1.149 171 P CA 0.986 64.221 63.100 0.226 0.000 0.817 171 P CB 0.157 31.968 31.700 0.186 0.000 0.785 172 Q N -2.068 117.845 119.800 0.189 0.000 2.373 172 Q HA 0.089 4.429 4.340 -0.000 0.000 0.210 172 Q C 0.366 176.579 176.000 0.354 0.000 0.913 172 Q CA 0.617 56.571 55.803 0.252 0.000 0.911 172 Q CB -0.287 28.555 28.738 0.173 0.000 1.040 172 Q HN 0.225 nan 8.270 nan 0.000 0.521 173 F N 1.848 121.829 119.950 0.051 0.000 2.577 173 F HA 0.602 5.129 4.527 -0.000 0.000 0.318 173 F C -1.184 174.561 175.800 -0.092 0.000 1.065 173 F CA -0.817 57.192 58.000 0.015 0.000 0.929 173 F CB 2.264 41.273 39.000 0.014 0.000 1.237 173 F HN 0.099 nan 8.300 nan 0.000 0.468 174 S N 3.302 118.335 115.700 -1.111 0.000 2.602 174 S HA 0.505 4.975 4.470 -0.000 0.000 0.301 174 S C -1.232 172.806 174.600 -0.936 0.000 1.091 174 S CA -0.661 57.025 58.200 -0.856 0.000 0.895 174 S CB -0.048 62.935 63.200 -0.361 0.000 1.090 174 S HN 1.333 nan 8.310 nan 0.000 0.449 175 V N 1.165 120.615 119.914 -0.774 0.000 3.083 175 V HA 0.918 5.037 4.120 -0.000 0.000 0.306 175 V C 0.346 176.125 176.094 -0.525 0.000 1.077 175 V CA -0.373 61.553 62.300 -0.622 0.000 1.073 175 V CB 0.917 32.366 31.823 -0.624 0.000 1.081 175 V HN 0.918 nan 8.190 nan 0.000 0.474 176 V N 1.151 120.719 119.914 -0.577 0.000 3.284 176 V HA 0.719 4.839 4.120 -0.000 0.000 0.309 176 V C -0.802 174.871 176.094 -0.703 0.000 1.190 176 V CA -0.522 61.520 62.300 -0.429 0.000 1.038 176 V CB 1.697 33.369 31.823 -0.251 0.000 1.198 176 V HN 0.845 nan 8.190 nan 0.000 0.465 177 F N 0.345 120.333 119.950 0.063 0.000 2.651 177 F HA 0.574 5.101 4.527 -0.000 0.000 0.329 177 F C -0.524 175.398 175.800 0.204 0.000 1.186 177 F CA -0.463 57.634 58.000 0.161 0.000 1.046 177 F CB 1.223 40.419 39.000 0.326 0.000 1.296 177 F HN 0.162 nan 8.300 nan 0.000 0.497 178 L N 2.628 124.007 121.223 0.260 0.000 2.375 178 L HA 0.498 4.838 4.340 -0.000 0.000 0.268 178 L C 1.199 178.020 176.870 -0.081 0.000 1.058 178 L CA -0.656 54.245 54.840 0.102 0.000 0.803 178 L CB 0.981 43.086 42.059 0.077 0.000 1.212 178 L HN 0.627 nan 8.230 nan 0.000 0.451 179 E N 0.527 120.600 120.200 -0.211 0.000 2.463 179 E HA -0.144 4.206 4.350 -0.000 0.000 0.201 179 E C -0.391 175.998 176.600 -0.351 0.000 1.045 179 E CA 0.666 56.869 56.400 -0.328 0.000 0.872 179 E CB -0.028 29.610 29.700 -0.103 0.000 0.797 179 E HN 0.602 nan 8.360 nan 0.000 0.538 180 D N -0.426 119.798 120.400 -0.293 0.000 3.163 180 D HA 0.158 4.798 4.640 -0.000 0.000 0.284 180 D C 0.923 177.084 176.300 -0.232 0.000 1.368 180 D CA -0.192 53.532 54.000 -0.459 0.000 0.895 180 D CB 0.048 40.717 40.800 -0.219 0.000 1.061 180 D HN 0.080 nan 8.370 nan 0.000 0.496 181 G N -0.124 108.565 108.800 -0.186 0.000 2.219 181 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.271 181 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.271 181 G C 0.714 175.680 174.900 0.110 0.000 0.991 181 G CA 0.361 45.454 45.100 -0.011 0.000 0.685 181 G HN 0.794 nan 8.290 nan 0.000 0.531 182 G N -0.767 108.086 108.800 0.089 0.000 2.528 182 G HA2 0.825 4.785 3.960 -0.000 0.000 0.289 182 G HA3 0.825 4.785 3.960 -0.000 0.000 0.289 182 G C -0.268 174.728 174.900 0.159 0.000 1.192 182 G CA -0.377 44.799 45.100 0.127 0.000 0.921 182 G HN 1.422 nan 8.290 nan 0.000 0.512 183 L N -0.782 120.476 121.223 0.058 0.000 2.588 183 L HA 0.597 4.937 4.340 -0.000 0.000 0.263 183 L C -0.532 176.277 176.870 -0.103 0.000 0.935 183 L CA -1.052 53.721 54.840 -0.111 0.000 0.891 183 L CB 1.413 43.270 42.059 -0.338 0.000 1.318 183 L HN 0.536 nan 8.230 nan 0.000 0.409 184 L N 2.334 123.422 121.223 -0.225 0.000 2.618 184 L HA 1.057 5.397 4.340 -0.000 0.000 0.156 184 L C 0.525 177.186 176.870 -0.348 0.000 1.675 184 L CA 0.842 55.507 54.840 -0.292 0.000 3.113 184 L CB 0.816 42.690 42.059 -0.307 0.000 3.006 184 L HN 0.965 nan 8.230 nan 0.000 0.867 185 G N -0.707 107.949 108.800 -0.241 0.000 2.429 185 G HA2 0.481 4.441 3.960 -0.000 0.000 0.300 185 G HA3 0.481 4.441 3.960 -0.000 0.000 0.300 185 G C -2.518 172.423 174.900 0.067 0.000 1.598 185 G CA -0.630 44.442 45.100 -0.046 0.000 0.863 185 G HN 0.344 nan 8.290 nan 0.000 0.614 186 L N 1.523 122.876 121.223 0.215 0.000 2.446 186 L HA 0.508 4.848 4.340 -0.000 0.000 0.268 186 L C 0.021 177.212 176.870 0.534 0.000 0.975 186 L CA -0.698 54.246 54.840 0.175 0.000 0.848 186 L CB 1.959 43.887 42.059 -0.218 0.000 1.225 186 L HN 0.708 nan 8.230 nan 0.000 0.410 187 K N 2.248 122.910 120.400 0.437 0.000 2.235 187 K HA 0.523 4.843 4.320 -0.000 0.000 0.266 187 K C -0.600 176.179 176.600 0.298 0.000 0.980 187 K CA -0.801 55.703 56.287 0.362 0.000 0.849 187 K CB 2.068 34.635 32.500 0.111 0.000 1.098 187 K HN 0.306 nan 8.250 nan 0.000 0.445 188 K N 3.984 124.553 120.400 0.282 0.000 2.264 188 K HA 0.108 4.428 4.320 -0.000 0.000 0.277 188 K C 0.320 176.934 176.600 0.023 0.000 1.067 188 K CA -0.559 55.760 56.287 0.052 0.000 0.900 188 K CB 1.080 33.637 32.500 0.095 0.000 1.124 188 K HN 0.608 nan 8.250 nan 0.000 0.469 189 V N 3.569 123.469 119.914 -0.024 0.000 2.300 189 V HA -0.159 3.961 4.120 -0.000 0.000 0.241 189 V C 1.570 177.638 176.094 -0.044 0.000 1.034 189 V CA 1.485 63.768 62.300 -0.028 0.000 1.021 189 V CB -0.470 31.326 31.823 -0.045 0.000 0.662 189 V HN 0.879 nan 8.190 nan 0.000 0.458 190 D N 0.672 121.028 120.400 -0.073 0.000 2.357 190 D HA 0.100 4.740 4.640 -0.000 0.000 0.284 190 D C 1.603 177.874 176.300 -0.049 0.000 1.184 190 D CA 0.996 54.952 54.000 -0.074 0.000 0.973 190 D CB -0.018 40.710 40.800 -0.120 0.000 0.945 190 D HN 0.282 nan 8.370 nan 0.000 0.279 191 G N -1.388 107.381 108.800 -0.051 0.000 2.727 191 G HA2 0.313 4.273 3.960 -0.000 0.000 0.207 191 G HA3 0.313 4.273 3.960 -0.000 0.000 0.207 191 G C 0.073 174.946 174.900 -0.045 0.000 1.060 191 G CA -0.037 45.050 45.100 -0.022 0.000 0.814 191 G HN 0.298 nan 8.290 nan 0.000 0.576 192 V N 1.449 121.306 119.914 -0.095 0.000 3.020 192 V HA 0.402 4.522 4.120 -0.000 0.000 0.275 192 V C -1.404 174.574 176.094 -0.193 0.000 0.868 192 V CA -0.626 61.551 62.300 -0.204 0.000 1.087 192 V CB 0.563 32.167 31.823 -0.365 0.000 0.954 192 V HN 0.316 nan 8.190 nan 0.000 0.495 193 H N 1.141 119.857 119.070 -0.591 0.000 3.086 193 H HA 0.720 5.276 4.556 -0.000 0.000 0.353 193 H C -1.732 173.205 175.328 -0.650 0.000 1.134 193 H CA -0.507 55.272 56.048 -0.448 0.000 1.248 193 H CB 1.860 31.487 29.762 -0.224 0.000 1.878 193 H HN 0.358 nan 8.280 nan 0.000 0.527 194 Y N 0.650 120.998 120.300 0.081 0.000 2.457 194 Y HA 0.467 5.017 4.550 -0.000 0.000 0.343 194 Y C -0.445 175.463 175.900 0.013 0.000 0.994 194 Y CA -0.790 57.338 58.100 0.046 0.000 1.031 194 Y CB 2.202 40.639 38.460 -0.038 0.000 1.246 194 Y HN 0.472 nan 8.280 nan 0.000 0.449 195 E N 4.284 124.587 120.200 0.172 0.000 2.263 195 E HA 0.297 4.647 4.350 -0.000 0.000 0.268 195 E C -2.820 173.816 176.600 0.060 0.000 0.884 195 E CA -2.544 53.910 56.400 0.090 0.000 0.766 195 E CB 2.308 32.047 29.700 0.065 0.000 1.196 195 E HN 0.248 nan 8.360 nan 0.000 0.416 196 P HA -0.084 nan 4.420 nan 0.000 0.261 196 P C -0.485 176.790 177.300 -0.042 0.000 1.165 196 P CA 0.617 63.703 63.100 -0.023 0.000 0.759 196 P CB 0.568 32.265 31.700 -0.006 0.000 0.772 197 L N 4.059 125.226 121.223 -0.094 0.000 2.502 197 L HA 0.289 4.629 4.340 -0.000 0.000 0.249 197 L C 0.774 177.453 176.870 -0.319 0.000 1.446 197 L CA -0.678 54.095 54.840 -0.112 0.000 0.887 197 L CB 0.502 42.554 42.059 -0.011 0.000 1.126 197 L HN 0.283 nan 8.230 nan 0.000 0.509 198 L N 0.334 121.399 121.223 -0.264 0.000 2.498 198 L HA -0.002 4.338 4.340 -0.000 0.000 0.293 198 L C 0.579 177.290 176.870 -0.265 0.000 1.271 198 L CA 1.030 55.682 54.840 -0.314 0.000 0.831 198 L CB 0.359 42.374 42.059 -0.072 0.000 1.091 198 L HN 0.318 nan 8.230 nan 0.000 0.535 199 F N -0.326 119.720 119.950 0.160 0.000 2.393 199 F HA 0.153 4.679 4.527 -0.000 0.000 0.205 199 F C 1.598 177.589 175.800 0.319 0.000 1.104 199 F CA -0.059 58.115 58.000 0.291 0.000 1.070 199 F CB -0.261 38.848 39.000 0.181 0.000 1.368 199 F HN 0.521 nan 8.300 nan 0.000 0.607 200 N N -0.631 118.448 118.700 0.632 0.000 2.075 200 N HA -0.071 4.669 4.740 -0.000 0.000 0.226 200 N C 0.987 176.719 175.510 0.370 0.000 1.343 200 N CA 0.346 53.644 53.050 0.413 0.000 0.881 200 N CB 0.084 38.771 38.487 0.334 0.000 1.100 200 N HN 0.234 nan 8.380 nan 0.000 0.495 201 D N 1.881 122.557 120.400 0.460 0.000 2.133 201 D HA -0.177 4.463 4.640 -0.000 0.000 0.192 201 D C 1.180 177.672 176.300 0.320 0.000 1.001 201 D CA 1.037 55.255 54.000 0.364 0.000 0.844 201 D CB -0.256 40.806 40.800 0.436 0.000 0.944 201 D HN 0.243 nan 8.370 nan 0.000 0.447 202 N N 0.327 119.184 118.700 0.262 0.000 2.200 202 N HA -0.272 4.468 4.740 -0.000 0.000 0.199 202 N C 1.917 177.543 175.510 0.193 0.000 0.987 202 N CA 2.138 55.306 53.050 0.197 0.000 0.908 202 N CB -0.650 37.932 38.487 0.159 0.000 1.035 202 N HN 0.419 nan 8.380 nan 0.000 0.481 203 S N 0.470 116.307 115.700 0.229 0.000 2.351 203 S HA -0.161 4.309 4.470 -0.000 0.000 0.220 203 S C 1.882 176.571 174.600 0.149 0.000 1.035 203 S CA 1.050 59.350 58.200 0.167 0.000 1.031 203 S CB -1.051 62.249 63.200 0.167 0.000 0.928 203 S HN 0.334 nan 8.310 nan 0.000 0.433 204 Y N 2.203 122.536 120.300 0.055 0.000 2.569 204 Y HA 0.199 4.749 4.550 -0.000 0.000 0.293 204 Y C 2.036 177.971 175.900 0.057 0.000 1.144 204 Y CA 0.132 58.254 58.100 0.037 0.000 1.321 204 Y CB -0.605 37.863 38.460 0.013 0.000 0.982 204 Y HN 0.241 nan 8.280 nan 0.000 0.558 205 L N -0.798 120.559 121.223 0.223 0.000 2.200 205 L HA -0.061 4.279 4.340 -0.000 0.000 0.200 205 L C 2.196 179.144 176.870 0.129 0.000 1.072 205 L CA 0.762 55.698 54.840 0.161 0.000 0.787 205 L CB -0.358 41.790 42.059 0.148 0.000 0.957 205 L HN -0.039 nan 8.230 nan 0.000 0.459 206 K N 0.436 120.905 120.400 0.115 0.000 2.147 206 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 206 K C 2.174 178.824 176.600 0.083 0.000 1.049 206 K CA 1.737 58.079 56.287 0.090 0.000 0.936 206 K CB -0.139 32.408 32.500 0.077 0.000 0.722 206 K HN 0.351 nan 8.250 nan 0.000 0.446 207 S N 0.927 116.673 115.700 0.076 0.000 2.496 207 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 207 S C 1.663 176.343 174.600 0.132 0.000 0.996 207 S CA 0.181 58.425 58.200 0.072 0.000 0.927 207 S CB -0.111 63.096 63.200 0.012 0.000 0.774 207 S HN 0.132 nan 8.310 nan 0.000 0.524 208 L N 2.378 123.695 121.223 0.157 0.000 2.650 208 L HA 0.207 4.546 4.340 -0.000 0.000 0.235 208 L C 1.589 178.610 176.870 0.252 0.000 1.149 208 L CA 0.875 55.870 54.840 0.259 0.000 0.887 208 L CB -0.813 41.383 42.059 0.229 0.000 1.021 208 L HN 0.236 nan 8.230 nan 0.000 0.441 209 T N -1.436 113.215 114.554 0.161 0.000 2.983 209 T HA 0.012 4.362 4.350 -0.000 0.000 0.250 209 T C 1.854 176.596 174.700 0.069 0.000 1.037 209 T CA 0.702 62.862 62.100 0.100 0.000 1.142 209 T CB 0.033 68.946 68.868 0.075 0.000 0.876 209 T HN 0.323 nan 8.240 nan 0.000 0.455 210 R N 0.301 120.859 120.500 0.096 0.000 2.235 210 R HA 0.163 4.503 4.340 -0.000 0.000 0.213 210 R C 0.817 177.193 176.300 0.127 0.000 1.059 210 R CA 0.277 56.424 56.100 0.079 0.000 0.997 210 R CB -0.217 30.131 30.300 0.079 0.000 0.884 210 R HN 0.379 nan 8.270 nan 0.000 0.462 211 F N 0.361 120.359 119.950 0.080 0.000 2.362 211 F HA 0.252 4.779 4.527 -0.000 0.000 0.311 211 F C -0.063 175.856 175.800 0.199 0.000 1.161 211 F CA -1.830 56.264 58.000 0.157 0.000 1.085 211 F CB 0.363 39.440 39.000 0.129 0.000 1.311 211 F HN -0.262 nan 8.300 nan 0.000 0.524 212 F N 3.950 122.913 119.950 -1.644 0.000 2.452 212 F HA 0.190 4.717 4.527 -0.000 0.000 0.358 212 F C 0.796 175.928 175.800 -1.114 0.000 1.141 212 F CA 1.125 58.353 58.000 -1.286 0.000 1.004 212 F CB -1.439 36.969 39.000 -0.986 0.000 1.046 212 F HN 0.664 nan 8.300 nan 0.000 0.575 213 S N 1.387 116.844 115.700 -0.406 0.000 3.845 213 S HA -0.207 4.263 4.470 -0.000 0.000 0.641 213 S C 0.030 174.631 174.600 0.001 0.000 1.900 213 S CA 0.203 58.309 58.200 -0.156 0.000 2.062 213 S CB -0.237 62.917 63.200 -0.077 0.000 0.327 213 S HN 0.908 nan 8.310 nan 0.000 1.788 214 R N 0.270 120.809 120.500 0.065 0.000 2.291 214 R HA 0.185 4.524 4.340 -0.000 0.000 0.181 214 R C -0.432 175.938 176.300 0.117 0.000 1.158 214 R CA 0.338 56.522 56.100 0.140 0.000 0.733 214 R CB -0.669 29.721 30.300 0.151 0.000 1.414 214 R HN 0.583 nan 8.270 nan 0.000 0.328 215 S N -0.246 115.508 115.700 0.091 0.000 2.502 215 S HA 0.118 4.588 4.470 -0.000 0.000 0.251 215 S C 1.253 175.864 174.600 0.019 0.000 1.254 215 S CA -0.132 58.093 58.200 0.043 0.000 0.989 215 S CB 0.748 63.955 63.200 0.012 0.000 1.015 215 S HN 0.525 nan 8.310 nan 0.000 0.529 216 S N 1.110 116.775 115.700 -0.058 0.000 2.453 216 S HA -0.009 4.461 4.470 -0.000 0.000 0.231 216 S C 0.543 174.855 174.600 -0.480 0.000 1.005 216 S CA 0.870 58.983 58.200 -0.145 0.000 0.949 216 S CB -0.247 62.892 63.200 -0.100 0.000 0.774 216 S HN 0.648 nan 8.310 nan 0.000 0.510 217 K N -0.342 119.794 120.400 -0.439 0.000 2.911 217 K HA 0.347 4.667 4.320 -0.000 0.000 0.239 217 K C -0.109 176.379 176.600 -0.187 0.000 1.371 217 K CA -0.115 55.776 56.287 -0.659 0.000 0.872 217 K CB 0.184 32.371 32.500 -0.521 0.000 1.322 217 K HN -0.077 nan 8.250 nan 0.000 0.527 218 S N 0.678 116.378 115.700 -0.000 0.000 2.612 218 S HA 0.046 4.516 4.470 -0.000 0.000 0.193 218 S C 0.118 174.839 174.600 0.202 0.000 0.898 218 S CA 0.540 58.810 58.200 0.116 0.000 0.872 218 S CB 0.142 63.433 63.200 0.152 0.000 0.843 218 S HN 0.628 nan 8.310 nan 0.000 0.611 219 D N 0.841 121.414 120.400 0.289 0.000 2.622 219 D HA 0.183 4.822 4.640 -0.000 0.000 0.262 219 D C -1.699 174.796 176.300 0.326 0.000 1.189 219 D CA -0.323 53.836 54.000 0.264 0.000 0.985 219 D CB -0.170 40.759 40.800 0.215 0.000 0.994 219 D HN 0.295 nan 8.370 nan 0.000 0.513 220 Y N 2.220 122.573 120.300 0.089 0.000 2.907 220 Y HA 0.108 4.658 4.550 -0.000 0.000 0.332 220 Y C 0.904 176.849 175.900 0.075 0.000 1.211 220 Y CA -1.240 56.903 58.100 0.073 0.000 1.387 220 Y CB 0.342 38.834 38.460 0.053 0.000 1.396 220 Y HN 0.234 nan 8.280 nan 0.000 0.519 221 D N -0.502 119.971 120.400 0.122 0.000 2.663 221 D HA -0.034 4.605 4.640 -0.000 0.000 0.243 221 D C 0.639 176.974 176.300 0.058 0.000 1.218 221 D CA 0.030 54.098 54.000 0.115 0.000 0.846 221 D CB 0.095 40.966 40.800 0.118 0.000 1.014 221 D HN 0.238 nan 8.370 nan 0.000 0.476 222 S N -0.314 115.408 115.700 0.035 0.000 2.542 222 S HA -0.030 4.440 4.470 -0.000 0.000 0.287 222 S C 0.289 174.910 174.600 0.034 0.000 1.315 222 S CA -0.393 57.819 58.200 0.019 0.000 1.037 222 S CB 0.651 63.869 63.200 0.031 0.000 0.822 222 S HN 0.177 nan 8.310 nan 0.000 0.513 223 V N 5.025 124.945 119.914 0.010 0.000 2.546 223 V HA 0.294 4.414 4.120 -0.000 0.000 0.284 223 V C 0.711 176.617 176.094 -0.312 0.000 1.050 223 V CA -0.135 62.041 62.300 -0.206 0.000 0.981 223 V CB 1.163 32.670 31.823 -0.526 0.000 0.990 223 V HN 0.849 nan 8.190 nan 0.000 0.474 224 I N 0.783 121.129 120.570 -0.375 0.000 4.338 224 I HA 0.473 4.643 4.170 -0.000 0.000 0.329 224 I C 0.424 176.251 176.117 -0.483 0.000 1.378 224 I CA 0.066 61.114 61.300 -0.419 0.000 1.170 224 I CB 0.240 38.169 38.000 -0.118 0.000 1.206 224 I HN 0.360 nan 8.210 nan 0.000 0.432 225 S N -0.187 115.211 115.700 -0.503 0.000 2.596 225 S HA 0.816 5.286 4.470 -0.000 0.000 0.270 225 S C -1.217 173.219 174.600 -0.274 0.000 1.155 225 S CA -0.489 57.522 58.200 -0.314 0.000 0.827 225 S CB 2.167 65.354 63.200 -0.021 0.000 1.130 225 S HN 0.435 nan 8.310 nan 0.000 0.467 226 C N 1.319 120.630 119.300 0.018 0.000 3.165 226 C HA 0.790 5.250 4.460 -0.000 0.000 0.345 226 C C -1.952 173.213 174.990 0.291 0.000 1.367 226 C CA -0.321 58.759 59.018 0.104 0.000 1.205 226 C CB 0.775 28.564 27.740 0.082 0.000 1.447 226 C HN 0.950 nan 8.230 nan 0.000 0.451 227 K N 0.181 120.697 120.400 0.194 0.000 1.791 227 K HA 0.763 5.083 4.320 -0.000 0.000 0.260 227 K C -1.933 174.822 176.600 0.259 0.000 0.699 227 K CA -0.401 56.090 56.287 0.339 0.000 0.474 227 K CB 0.286 32.947 32.500 0.267 0.000 2.095 227 K HN 0.914 nan 8.250 nan 0.000 0.693 228 L N 1.420 122.818 121.223 0.292 0.000 2.969 228 L HA 0.373 4.713 4.340 -0.000 0.000 0.250 228 L C -1.893 175.175 176.870 0.330 0.000 0.953 228 L CA -0.293 54.706 54.840 0.265 0.000 1.066 228 L CB 0.835 43.043 42.059 0.249 0.000 1.497 228 L HN 0.449 nan 8.230 nan 0.000 0.512 229 F N 4.862 124.962 119.950 0.249 0.000 2.405 229 F HA 0.516 5.043 4.527 -0.000 0.000 0.355 229 F C 0.603 176.648 175.800 0.408 0.000 1.121 229 F CA 0.150 58.339 58.000 0.316 0.000 1.112 229 F CB 0.202 39.407 39.000 0.341 0.000 1.126 229 F HN 0.720 nan 8.300 nan 0.000 0.481 230 H N 4.420 123.202 119.070 -0.480 0.000 2.672 230 H HA -0.204 4.352 4.556 -0.000 0.000 0.325 230 H C 0.853 176.087 175.328 -0.157 0.000 1.158 230 H CA 0.949 56.772 56.048 -0.377 0.000 1.134 230 H CB -1.251 28.225 29.762 -0.478 0.000 1.553 230 H HN 0.854 nan 8.280 nan 0.000 0.419 231 E N -2.157 118.001 120.200 -0.070 0.000 3.343 231 E HA -0.438 3.912 4.350 -0.000 0.000 0.281 231 E C 1.784 178.352 176.600 -0.054 0.000 0.914 231 E CA 1.426 57.803 56.400 -0.038 0.000 0.884 231 E CB -0.270 29.405 29.700 -0.042 0.000 1.445 231 E HN 0.785 nan 8.360 nan 0.000 0.468 232 R N -0.482 119.933 120.500 -0.142 0.000 2.493 232 R HA 0.059 4.399 4.340 -0.000 0.000 0.177 232 R C -0.237 175.905 176.300 -0.265 0.000 0.861 232 R CA 0.029 55.957 56.100 -0.286 0.000 1.083 232 R CB 0.507 30.457 30.300 -0.582 0.000 1.328 232 R HN 0.048 nan 8.270 nan 0.000 0.615 233 Y N 2.222 122.618 120.300 0.160 0.000 2.650 233 Y HA 0.124 4.674 4.550 -0.000 0.000 0.342 233 Y C 0.308 176.301 175.900 0.155 0.000 1.110 233 Y CA -0.196 58.013 58.100 0.181 0.000 1.438 233 Y CB 0.413 39.029 38.460 0.260 0.000 1.181 233 Y HN 0.112 nan 8.280 nan 0.000 0.526 234 L N 5.904 127.256 121.223 0.215 0.000 2.583 234 L HA 0.343 4.683 4.340 -0.000 0.000 0.239 234 L C -0.516 176.445 176.870 0.153 0.000 1.347 234 L CA -0.303 54.590 54.840 0.089 0.000 1.246 234 L CB -0.929 41.097 42.059 -0.054 0.000 1.496 234 L HN 0.441 nan 8.230 nan 0.000 0.413 235 I N 1.831 122.518 120.570 0.194 0.000 2.978 235 I HA -0.091 4.079 4.170 -0.000 0.000 0.293 235 I C 0.762 176.926 176.117 0.078 0.000 1.218 235 I CA 0.802 62.188 61.300 0.144 0.000 1.393 235 I CB -0.432 37.649 38.000 0.136 0.000 1.394 235 I HN 0.277 nan 8.210 nan 0.000 0.541 236 V N 4.705 124.658 119.914 0.065 0.000 3.815 236 V HA 0.829 4.948 4.120 -0.000 0.000 0.284 236 V C -0.366 175.702 176.094 -0.043 0.000 1.266 236 V CA -0.886 61.409 62.300 -0.008 0.000 0.923 236 V CB 1.561 33.389 31.823 0.009 0.000 1.267 236 V HN 0.584 nan 8.190 nan 0.000 0.461 237 L N 0.215 121.390 121.223 -0.080 0.000 2.731 237 L HA 0.714 5.054 4.340 -0.000 0.000 0.256 237 L C -0.571 176.251 176.870 -0.080 0.000 0.947 237 L CA 0.568 55.366 54.840 -0.070 0.000 0.914 237 L CB 1.474 43.494 42.059 -0.065 0.000 1.470 237 L HN 1.222 nan 8.230 nan 0.000 0.421 238 T N -0.352 114.186 114.554 -0.026 0.000 2.940 238 T HA 0.453 4.803 4.350 -0.000 0.000 0.288 238 T C 0.639 175.344 174.700 0.009 0.000 1.045 238 T CA -0.244 61.858 62.100 0.003 0.000 1.018 238 T CB 1.513 70.430 68.868 0.080 0.000 1.151 238 T HN 0.734 nan 8.240 nan 0.000 0.529 239 Q N 0.402 120.222 119.800 0.034 0.000 2.112 239 Q HA -0.104 4.236 4.340 -0.000 0.000 0.206 239 Q C 0.749 176.807 176.000 0.097 0.000 0.987 239 Q CA 1.386 57.208 55.803 0.031 0.000 0.858 239 Q CB -0.164 28.613 28.738 0.064 0.000 0.905 239 Q HN 0.568 nan 8.270 nan 0.000 0.420 240 N N 0.042 118.840 118.700 0.162 0.000 2.802 240 N HA 0.088 4.827 4.740 -0.000 0.000 0.288 240 N C -0.222 175.253 175.510 -0.057 0.000 1.268 240 N CA 0.054 53.237 53.050 0.222 0.000 1.035 240 N CB 0.186 38.797 38.487 0.206 0.000 1.353 240 N HN 0.224 nan 8.380 nan 0.000 0.522 241 C N 0.832 120.148 119.300 0.027 0.000 4.080 241 C HA -0.200 4.260 4.460 -0.000 0.000 0.290 241 C C 0.756 175.654 174.990 -0.154 0.000 1.535 241 C CA 0.423 59.381 59.018 -0.100 0.000 2.079 241 C CB -2.601 25.030 27.740 -0.183 0.000 1.361 241 C HN 0.558 nan 8.230 nan 0.000 0.786 242 H N -0.186 118.851 119.070 -0.055 0.000 3.026 242 H HA 0.322 4.878 4.556 -0.000 0.000 0.289 242 H C 0.157 175.444 175.328 -0.068 0.000 1.022 242 H CA 0.472 56.482 56.048 -0.063 0.000 1.477 242 H CB 0.469 30.199 29.762 -0.054 0.000 1.510 242 H HN 0.489 nan 8.280 nan 0.000 0.535 243 L N 4.969 126.213 121.223 0.036 0.000 2.265 243 L HA 0.270 4.610 4.340 -0.000 0.000 0.288 243 L C -0.247 176.628 176.870 0.008 0.000 1.058 243 L CA -0.185 54.632 54.840 -0.038 0.000 0.809 243 L CB 0.343 42.270 42.059 -0.220 0.000 1.179 243 L HN 0.401 nan 8.230 nan 0.000 0.429 244 K N 5.766 126.155 120.400 -0.018 0.000 2.185 244 K HA 0.633 4.953 4.320 -0.000 0.000 0.240 244 K C -0.948 175.647 176.600 -0.008 0.000 0.983 244 K CA -0.746 55.492 56.287 -0.081 0.000 0.873 244 K CB 2.088 34.497 32.500 -0.151 0.000 1.118 244 K HN 0.584 nan 8.250 nan 0.000 0.441 245 I N 1.899 122.427 120.570 -0.071 0.000 2.796 245 I HA 0.163 4.333 4.170 -0.000 0.000 0.277 245 I C -0.924 175.236 176.117 0.071 0.000 1.331 245 I CA -0.684 60.662 61.300 0.076 0.000 0.983 245 I CB 0.346 38.415 38.000 0.115 0.000 1.410 245 I HN 0.496 nan 8.210 nan 0.000 0.561 246 W N 3.032 124.322 121.300 -0.017 0.000 1.918 246 W HA 0.107 4.767 4.660 -0.000 0.000 0.355 246 W C 0.736 177.285 176.519 0.050 0.000 1.368 246 W CA 0.743 58.047 57.345 -0.069 0.000 1.412 246 W CB 0.200 29.501 29.460 -0.266 0.000 1.309 246 W HN 0.280 nan 8.180 nan 0.000 0.667 247 D N 0.561 121.124 120.400 0.273 0.000 2.620 247 D HA 0.182 4.822 4.640 -0.000 0.000 0.252 247 D C -0.843 175.526 176.300 0.115 0.000 1.207 247 D CA -0.412 53.709 54.000 0.203 0.000 0.884 247 D CB 1.119 42.069 40.800 0.248 0.000 1.262 247 D HN 0.330 nan 8.370 nan 0.000 0.552 248 L N 3.544 124.772 121.223 0.008 0.000 2.955 248 L HA 0.195 4.535 4.340 -0.000 0.000 0.238 248 L C 0.957 177.929 176.870 0.170 0.000 1.359 248 L CA 0.202 55.072 54.840 0.051 0.000 1.214 248 L CB 0.026 42.100 42.059 0.025 0.000 1.600 248 L HN 0.367 nan 8.230 nan 0.000 0.442 249 T N -3.388 111.311 114.554 0.243 0.000 3.200 249 T HA 0.010 4.360 4.350 -0.000 0.000 0.259 249 T C 1.595 176.450 174.700 0.258 0.000 0.855 249 T CA 0.092 62.312 62.100 0.201 0.000 0.865 249 T CB 0.575 69.501 68.868 0.098 0.000 1.270 249 T HN 0.206 nan 8.240 nan 0.000 0.563 250 S N 0.565 116.459 115.700 0.323 0.000 2.502 250 S HA 0.299 4.768 4.470 -0.000 0.000 0.228 250 S C 0.347 175.252 174.600 0.508 0.000 1.061 250 S CA -0.194 58.192 58.200 0.310 0.000 0.935 250 S CB 0.067 63.404 63.200 0.228 0.000 0.809 250 S HN 0.354 nan 8.310 nan 0.000 0.510 251 F N 1.893 121.996 119.950 0.255 0.000 3.018 251 F HA -0.186 4.341 4.527 -0.000 0.000 0.287 251 F C -0.127 175.935 175.800 0.436 0.000 0.813 251 F CA 0.600 58.872 58.000 0.453 0.000 1.209 251 F CB -2.263 36.959 39.000 0.371 0.000 1.321 251 F HN 0.046 nan 8.300 nan 0.000 0.477 252 T N 0.763 115.568 114.554 0.419 0.000 2.848 252 T HA 0.548 4.898 4.350 -0.000 0.000 0.285 252 T C -0.315 174.398 174.700 0.021 0.000 0.995 252 T CA -0.729 61.513 62.100 0.237 0.000 0.970 252 T CB 2.072 71.035 68.868 0.159 0.000 0.976 252 T HN 0.134 nan 8.240 nan 0.000 0.441 253 L N 5.312 126.289 121.223 -0.411 0.000 2.699 253 L HA 0.138 4.477 4.340 -0.000 0.000 0.283 253 L C 1.221 177.811 176.870 -0.467 0.000 1.166 253 L CA 0.155 54.419 54.840 -0.959 0.000 1.043 253 L CB -0.967 40.143 42.059 -1.580 0.000 1.369 253 L HN 0.606 nan 8.230 nan 0.000 0.462 254 I N 2.630 123.057 120.570 -0.237 0.000 2.315 254 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 254 I C 1.227 177.236 176.117 -0.180 0.000 1.125 254 I CA 1.249 62.480 61.300 -0.115 0.000 1.392 254 I CB -1.047 36.964 38.000 0.017 0.000 1.065 254 I HN 0.743 nan 8.210 nan 0.000 0.424 255 Q N -1.066 118.565 119.800 -0.281 0.000 2.983 255 Q HA 0.373 4.713 4.340 -0.000 0.000 0.366 255 Q C -0.885 174.863 176.000 -0.421 0.000 0.772 255 Q CA -0.683 54.907 55.803 -0.355 0.000 0.857 255 Q CB 1.712 30.216 28.738 -0.389 0.000 1.286 255 Q HN -0.030 nan 8.270 nan 0.000 0.489 256 D N -0.249 119.859 120.400 -0.486 0.000 4.100 256 D HA 0.104 4.744 4.640 -0.000 0.000 0.215 256 D C -1.633 174.517 176.300 -0.250 0.000 1.464 256 D CA 0.017 53.817 54.000 -0.334 0.000 1.161 256 D CB -0.515 40.088 40.800 -0.329 0.000 1.250 256 D HN 0.367 nan 8.370 nan 0.000 0.864 257 Y N 0.614 120.875 120.300 -0.066 0.000 2.641 257 Y HA 0.238 4.788 4.550 -0.000 0.000 0.351 257 Y C 1.422 177.348 175.900 0.044 0.000 1.269 257 Y CA 0.435 58.525 58.100 -0.018 0.000 1.485 257 Y CB 0.452 38.881 38.460 -0.052 0.000 1.364 257 Y HN 0.062 nan 8.280 nan 0.000 0.651 258 D N 1.692 122.213 120.400 0.201 0.000 2.460 258 D HA 0.163 4.803 4.640 -0.000 0.000 0.268 258 D C 0.667 176.909 176.300 -0.097 0.000 1.153 258 D CA -0.258 53.779 54.000 0.063 0.000 0.929 258 D CB 0.170 41.017 40.800 0.078 0.000 1.015 258 D HN 0.395 nan 8.370 nan 0.000 0.502 259 M N 1.015 120.539 119.600 -0.126 0.000 2.128 259 M HA -0.148 4.331 4.480 -0.000 0.000 0.253 259 M C 1.244 177.395 176.300 -0.249 0.000 1.079 259 M CA 1.106 56.312 55.300 -0.157 0.000 1.082 259 M CB -1.319 31.191 32.600 -0.151 0.000 1.335 259 M HN 0.343 nan 8.290 nan 0.000 0.401 260 V N 0.408 120.099 119.914 -0.372 0.000 2.054 260 V HA 0.288 4.407 4.120 -0.000 0.000 0.243 260 V C 0.247 176.163 176.094 -0.297 0.000 1.480 260 V CA 0.285 62.327 62.300 -0.431 0.000 1.440 260 V CB -1.579 29.801 31.823 -0.739 0.000 1.489 260 V HN 0.542 nan 8.190 nan 0.000 0.502 261 S N 1.363 116.924 115.700 -0.232 0.000 4.596 261 S HA 0.061 4.531 4.470 -0.000 0.000 0.046 261 S C -0.001 174.492 174.600 -0.178 0.000 0.861 261 S CA -0.226 57.873 58.200 -0.167 0.000 0.881 261 S CB -1.572 61.556 63.200 -0.120 0.000 0.488 261 S HN 0.656 nan 8.310 nan 0.000 0.792 262 Q N 1.516 121.145 119.800 -0.284 0.000 2.135 262 Q HA 0.465 4.805 4.340 -0.000 0.000 0.222 262 Q C -0.028 175.757 176.000 -0.359 0.000 0.808 262 Q CA 0.415 55.935 55.803 -0.471 0.000 1.049 262 Q CB 1.277 29.400 28.738 -1.026 0.000 1.168 262 Q HN 0.814 nan 8.270 nan 0.000 0.483 263 S N -1.462 114.134 115.700 -0.173 0.000 2.633 263 S HA 0.118 4.588 4.470 -0.000 0.000 0.271 263 S C -1.546 173.024 174.600 -0.051 0.000 1.112 263 S CA -1.094 57.072 58.200 -0.056 0.000 0.828 263 S CB 0.755 63.941 63.200 -0.025 0.000 1.086 263 S HN 0.027 nan 8.310 nan 0.000 0.461 264 D N 2.205 122.596 120.400 -0.015 0.000 2.854 264 D HA 0.001 4.640 4.640 -0.000 0.000 0.243 264 D C 0.161 176.439 176.300 -0.036 0.000 1.243 264 D CA 0.967 54.957 54.000 -0.016 0.000 0.883 264 D CB 0.371 41.172 40.800 0.003 0.000 1.145 264 D HN 0.593 nan 8.370 nan 0.000 0.555 265 S N 3.223 118.891 115.700 -0.052 0.000 3.455 265 S HA -0.057 4.413 4.470 -0.000 0.000 0.288 265 S C 0.077 174.652 174.600 -0.042 0.000 1.231 265 S CA -0.880 57.274 58.200 -0.077 0.000 1.031 265 S CB -0.169 62.974 63.200 -0.096 0.000 1.570 265 S HN 0.171 nan 8.310 nan 0.000 0.519 266 D N 6.000 126.388 120.400 -0.020 0.000 3.030 266 D HA -0.051 4.589 4.640 -0.000 0.000 0.281 266 D C -1.202 175.119 176.300 0.034 0.000 1.522 266 D CA -0.378 53.631 54.000 0.016 0.000 1.219 266 D CB 0.533 41.355 40.800 0.036 0.000 1.176 266 D HN 0.460 nan 8.370 nan 0.000 0.603 267 P HA -0.266 nan 4.420 nan 0.000 0.208 267 P C 1.748 179.097 177.300 0.082 0.000 1.180 267 P CA 1.776 64.902 63.100 0.043 0.000 0.935 267 P CB -0.022 31.696 31.700 0.030 0.000 0.785 268 S N -1.168 114.579 115.700 0.078 0.000 2.343 268 S HA -0.309 4.161 4.470 -0.000 0.000 0.324 268 S C 0.839 175.552 174.600 0.188 0.000 1.144 268 S CA 2.232 60.493 58.200 0.102 0.000 1.548 268 S CB -1.582 61.670 63.200 0.086 0.000 1.368 268 S HN 0.435 nan 8.310 nan 0.000 0.477 269 H N 0.060 119.162 119.070 0.053 0.000 3.181 269 H HA 0.535 5.091 4.556 -0.000 0.000 0.331 269 H C -1.596 173.788 175.328 0.094 0.000 0.988 269 H CA -1.038 55.043 56.048 0.056 0.000 1.449 269 H CB 0.941 30.712 29.762 0.016 0.000 1.749 269 H HN 0.452 nan 8.280 nan 0.000 0.501 270 F N 5.793 125.566 119.950 -0.294 0.000 2.332 270 F HA 0.398 4.925 4.527 -0.000 0.000 0.368 270 F C 0.012 175.554 175.800 -0.431 0.000 1.110 270 F CA -0.964 56.867 58.000 -0.283 0.000 1.087 270 F CB 0.461 39.364 39.000 -0.161 0.000 1.235 270 F HN 0.504 nan 8.300 nan 0.000 0.470 271 R N 6.701 126.627 120.500 -0.957 0.000 2.474 271 R HA 0.030 4.370 4.340 -0.000 0.000 0.339 271 R C -0.297 175.262 176.300 -1.236 0.000 1.033 271 R CA -0.224 55.345 56.100 -0.885 0.000 0.997 271 R CB 0.122 30.150 30.300 -0.454 0.000 0.963 271 R HN 0.765 nan 8.270 nan 0.000 0.438 272 K N 2.529 122.296 120.400 -1.055 0.000 2.368 272 K HA 0.103 4.423 4.320 -0.000 0.000 0.282 272 K C -0.309 176.063 176.600 -0.380 0.000 1.035 272 K CA -0.740 55.088 56.287 -0.765 0.000 0.973 272 K CB 1.159 33.488 32.500 -0.284 0.000 0.957 272 K HN 0.150 nan 8.250 nan 0.000 0.474 273 V N 3.465 123.211 119.914 -0.280 0.000 2.613 273 V HA -0.127 3.993 4.120 -0.000 0.000 0.289 273 V C 1.329 177.379 176.094 -0.073 0.000 0.985 273 V CA 0.585 62.773 62.300 -0.186 0.000 1.181 273 V CB -0.583 31.131 31.823 -0.183 0.000 0.883 273 V HN 0.941 nan 8.190 nan 0.000 0.465 274 E N 4.365 124.540 120.200 -0.041 0.000 2.057 274 E HA 0.295 4.645 4.350 -0.000 0.000 0.191 274 E C 1.053 177.673 176.600 0.032 0.000 0.959 274 E CA 0.920 57.321 56.400 0.000 0.000 0.828 274 E CB 0.096 29.794 29.700 -0.003 0.000 0.800 274 E HN 0.839 nan 8.360 nan 0.000 0.460 275 A N 1.279 124.130 122.820 0.051 0.000 2.260 275 A HA 0.482 4.802 4.320 -0.000 0.000 0.308 275 A C -0.162 177.434 177.584 0.020 0.000 1.254 275 A CA -0.634 51.426 52.037 0.039 0.000 0.874 275 A CB 0.470 19.507 19.000 0.061 0.000 1.153 275 A HN 0.090 nan 8.150 nan 0.000 0.527 276 V N 1.832 121.665 119.914 -0.135 0.000 3.239 276 V HA 0.359 4.478 4.120 -0.000 0.000 0.297 276 V C 1.170 177.125 176.094 -0.232 0.000 1.206 276 V CA 1.078 63.187 62.300 -0.318 0.000 1.325 276 V CB 0.095 31.409 31.823 -0.848 0.000 0.981 276 V HN 1.479 nan 8.190 nan 0.000 0.513 277 G N 1.685 110.382 108.800 -0.170 0.000 2.451 277 G HA2 0.441 4.401 3.960 -0.000 0.000 0.292 277 G HA3 0.441 4.401 3.960 -0.000 0.000 0.292 277 G C -1.269 173.479 174.900 -0.254 0.000 1.427 277 G CA -0.770 44.213 45.100 -0.195 0.000 0.792 277 G HN 0.490 nan 8.290 nan 0.000 0.498 278 E N 0.888 120.934 120.200 -0.256 0.000 1.814 278 E HA 0.200 4.549 4.350 -0.000 0.000 0.264 278 E C -0.476 175.967 176.600 -0.262 0.000 1.179 278 E CA -0.124 56.190 56.400 -0.145 0.000 0.972 278 E CB 0.438 30.102 29.700 -0.059 0.000 1.077 278 E HN 0.469 nan 8.360 nan 0.000 0.417 279 Y N 1.593 121.910 120.300 0.028 0.000 2.458 279 Y HA 0.116 4.665 4.550 -0.000 0.000 0.256 279 Y C 0.053 175.986 175.900 0.055 0.000 1.159 279 Y CA -0.353 57.775 58.100 0.046 0.000 1.261 279 Y CB 0.438 38.913 38.460 0.025 0.000 1.119 279 Y HN 0.301 nan 8.280 nan 0.000 0.524 280 L N -2.486 118.827 121.223 0.150 0.000 2.731 280 L HA 0.692 5.032 4.340 -0.000 0.000 0.256 280 L C -0.590 176.326 176.870 0.077 0.000 0.947 280 L CA -1.721 53.179 54.840 0.101 0.000 0.914 280 L CB 1.171 43.295 42.059 0.109 0.000 1.470 280 L HN -0.216 nan 8.230 nan 0.000 0.421 281 S N 1.610 117.338 115.700 0.047 0.000 2.595 281 S HA 0.983 5.453 4.470 -0.000 0.000 0.281 281 S C -0.881 173.772 174.600 0.088 0.000 1.117 281 S CA -0.596 57.647 58.200 0.072 0.000 0.873 281 S CB 1.987 65.205 63.200 0.031 0.000 1.108 281 S HN 1.672 nan 8.310 nan 0.000 0.477 282 L N 0.259 121.566 121.223 0.140 0.000 2.401 282 L HA 0.764 5.104 4.340 -0.000 0.000 0.266 282 L C -0.860 176.152 176.870 0.237 0.000 0.991 282 L CA -0.985 53.955 54.840 0.166 0.000 0.818 282 L CB 1.522 43.688 42.059 0.177 0.000 1.321 282 L HN 0.829 nan 8.230 nan 0.000 0.413 283 Y N 2.281 122.627 120.300 0.077 0.000 3.252 283 Y HA 0.423 4.973 4.550 -0.000 0.000 0.369 283 Y C 1.367 177.350 175.900 0.138 0.000 1.223 283 Y CA -0.009 58.139 58.100 0.080 0.000 1.036 283 Y CB 0.095 38.575 38.460 0.034 0.000 1.152 283 Y HN 0.772 nan 8.280 nan 0.000 0.885 284 N N 0.986 119.557 118.700 -0.214 0.000 2.052 284 N HA -0.187 4.553 4.740 -0.000 0.000 0.213 284 N C 1.230 176.819 175.510 0.130 0.000 1.207 284 N CA 1.359 54.339 53.050 -0.118 0.000 0.952 284 N CB -0.842 37.620 38.487 -0.042 0.000 0.987 284 N HN 0.695 nan 8.380 nan 0.000 0.392 285 N N 0.112 118.881 118.700 0.114 0.000 2.244 285 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 285 N C 0.340 175.799 175.510 -0.085 0.000 1.016 285 N CA 0.745 53.783 53.050 -0.021 0.000 0.866 285 N CB -1.134 37.378 38.487 0.041 0.000 0.980 285 N HN 0.243 nan 8.380 nan 0.000 0.430 286 T N 1.351 115.954 114.554 0.081 0.000 2.813 286 T HA 0.413 4.763 4.350 -0.000 0.000 0.297 286 T C 0.150 174.908 174.700 0.098 0.000 1.036 286 T CA -0.411 61.766 62.100 0.128 0.000 1.044 286 T CB 1.188 70.211 68.868 0.258 0.000 0.993 286 T HN 0.208 nan 8.240 nan 0.000 0.535 287 L N 1.289 122.578 121.223 0.110 0.000 2.409 287 L HA 0.840 5.180 4.340 -0.000 0.000 0.255 287 L C -1.606 175.313 176.870 0.082 0.000 1.027 287 L CA -0.942 53.963 54.840 0.108 0.000 0.834 287 L CB 2.161 44.310 42.059 0.149 0.000 1.426 287 L HN 0.565 nan 8.230 nan 0.000 0.411 288 V N -1.292 118.650 119.914 0.047 0.000 2.932 288 V HA 0.891 5.011 4.120 -0.000 0.000 0.307 288 V C -0.893 175.223 176.094 0.037 0.000 1.147 288 V CA -0.278 62.010 62.300 -0.020 0.000 0.951 288 V CB 1.510 33.218 31.823 -0.191 0.000 1.031 288 V HN 0.850 nan 8.190 nan 0.000 0.426 289 T N 4.902 119.530 114.554 0.123 0.000 2.916 289 T HA 0.620 4.970 4.350 -0.000 0.000 0.298 289 T C -0.918 174.024 174.700 0.404 0.000 1.031 289 T CA -0.383 61.842 62.100 0.208 0.000 0.993 289 T CB 1.782 70.747 68.868 0.162 0.000 1.045 289 T HN 0.975 nan 8.240 nan 0.000 0.454 290 L N 4.196 125.703 121.223 0.473 0.000 2.305 290 L HA 0.664 5.004 4.340 -0.000 0.000 0.281 290 L C -1.319 175.690 176.870 0.233 0.000 1.085 290 L CA -0.143 55.004 54.840 0.512 0.000 0.813 290 L CB 0.075 42.504 42.059 0.617 0.000 1.157 290 L HN 0.577 nan 8.230 nan 0.000 0.436 291 L N 5.905 127.212 121.223 0.140 0.000 2.410 291 L HA 0.483 4.822 4.340 -0.000 0.000 0.270 291 L C -2.275 174.642 176.870 0.079 0.000 0.983 291 L CA -1.927 52.963 54.840 0.083 0.000 0.822 291 L CB 1.838 43.936 42.059 0.064 0.000 1.285 291 L HN 0.436 nan 8.230 nan 0.000 0.409 292 P HA 0.104 nan 4.420 nan 0.000 0.257 292 P C -0.922 176.437 177.300 0.098 0.000 1.359 292 P CA 0.283 63.427 63.100 0.073 0.000 1.239 292 P CB -0.060 31.618 31.700 -0.036 0.000 1.549 293 L N 2.342 123.593 121.223 0.047 0.000 2.489 293 L HA 0.215 4.555 4.340 -0.000 0.000 0.257 293 L C 0.782 177.655 176.870 0.005 0.000 1.215 293 L CA 0.015 54.875 54.840 0.034 0.000 0.915 293 L CB 0.442 42.519 42.059 0.029 0.000 1.146 293 L HN 0.191 nan 8.230 nan 0.000 0.494 294 E N 1.849 122.052 120.200 0.004 0.000 2.660 294 E HA -0.310 4.040 4.350 -0.000 0.000 0.260 294 E C -0.296 176.283 176.600 -0.036 0.000 1.122 294 E CA 0.633 57.027 56.400 -0.010 0.000 0.755 294 E CB -0.552 29.140 29.700 -0.013 0.000 1.345 294 E HN 0.844 nan 8.360 nan 0.000 0.421 295 N N -1.290 117.396 118.700 -0.023 0.000 2.482 295 N HA -0.185 4.555 4.740 -0.000 0.000 0.288 295 N C -0.047 175.391 175.510 -0.121 0.000 1.319 295 N CA 1.694 54.722 53.050 -0.037 0.000 0.671 295 N CB -0.944 37.520 38.487 -0.039 0.000 0.911 295 N HN 0.541 nan 8.380 nan 0.000 0.531 296 G N 1.248 109.986 108.800 -0.103 0.000 4.990 296 G HA2 0.214 4.174 3.960 -0.000 0.000 0.221 296 G HA3 0.214 4.174 3.960 -0.000 0.000 0.221 296 G C -0.764 174.081 174.900 -0.091 0.000 0.986 296 G CA -0.441 44.578 45.100 -0.134 0.000 1.002 296 G HN 0.297 nan 8.290 nan 0.000 0.531 297 L N 1.325 122.482 121.223 -0.111 0.000 2.366 297 L HA 0.492 4.832 4.340 -0.000 0.000 0.266 297 L C -0.883 176.016 176.870 0.048 0.000 1.010 297 L CA -0.597 54.234 54.840 -0.015 0.000 0.879 297 L CB 0.972 43.050 42.059 0.033 0.000 1.228 297 L HN 0.051 nan 8.230 nan 0.000 0.439 298 F N 1.964 121.986 119.950 0.119 0.000 2.387 298 F HA 0.273 4.800 4.527 -0.000 0.000 0.332 298 F C 1.000 176.828 175.800 0.047 0.000 1.174 298 F CA -0.714 57.335 58.000 0.081 0.000 1.257 298 F CB 0.631 39.659 39.000 0.047 0.000 1.569 298 F HN 0.452 nan 8.300 nan 0.000 0.554 299 Q N 3.926 123.892 119.800 0.276 0.000 2.255 299 Q HA 0.181 4.521 4.340 -0.000 0.000 0.280 299 Q C -0.086 176.037 176.000 0.205 0.000 1.068 299 Q CA 0.156 56.102 55.803 0.239 0.000 0.911 299 Q CB 0.528 29.393 28.738 0.212 0.000 1.157 299 Q HN 0.620 nan 8.270 nan 0.000 0.380 300 M N 2.501 122.192 119.600 0.152 0.000 2.386 300 M HA 0.443 4.923 4.480 -0.000 0.000 0.245 300 M C -0.227 176.179 176.300 0.177 0.000 0.982 300 M CA -0.797 54.546 55.300 0.072 0.000 0.860 300 M CB 0.818 33.274 32.600 -0.239 0.000 1.371 300 M HN 0.496 nan 8.290 nan 0.000 0.425 301 G N 2.291 111.159 108.800 0.113 0.000 2.571 301 G HA2 0.381 4.341 3.960 -0.000 0.000 0.327 301 G HA3 0.381 4.341 3.960 -0.000 0.000 0.327 301 G C 0.465 175.249 174.900 -0.193 0.000 1.008 301 G CA -0.337 44.660 45.100 -0.173 0.000 1.136 301 G HN 0.776 nan 8.290 nan 0.000 0.444 302 T N 1.129 115.671 114.554 -0.021 0.000 2.898 302 T HA 0.070 4.420 4.350 -0.000 0.000 0.331 302 T C 0.685 175.303 174.700 -0.136 0.000 1.085 302 T CA -0.040 62.044 62.100 -0.027 0.000 1.129 302 T CB 0.474 69.325 68.868 -0.029 0.000 1.054 302 T HN 0.250 nan 8.240 nan 0.000 0.540 303 L N 1.809 122.947 121.223 -0.141 0.000 2.439 303 L HA 0.682 5.022 4.340 -0.000 0.000 0.259 303 L C 0.018 176.786 176.870 -0.171 0.000 1.129 303 L CA -1.104 53.622 54.840 -0.189 0.000 0.803 303 L CB 0.987 42.813 42.059 -0.387 0.000 1.161 303 L HN 0.654 nan 8.230 nan 0.000 0.462 304 L N 1.849 122.990 121.223 -0.137 0.000 2.588 304 L HA 0.188 4.528 4.340 -0.000 0.000 0.256 304 L C 0.025 176.855 176.870 -0.067 0.000 1.083 304 L CA -0.182 54.605 54.840 -0.087 0.000 0.909 304 L CB 1.132 43.145 42.059 -0.077 0.000 1.121 304 L HN 0.416 nan 8.230 nan 0.000 0.470 305 V N -0.762 119.115 119.914 -0.061 0.000 2.521 305 V HA 0.292 4.412 4.120 -0.000 0.000 0.239 305 V C 1.028 177.098 176.094 -0.041 0.000 1.053 305 V CA 0.592 62.839 62.300 -0.088 0.000 1.073 305 V CB -0.256 31.473 31.823 -0.157 0.000 0.746 305 V HN 0.634 nan 8.190 nan 0.000 0.476 306 D N 0.220 120.620 120.400 -0.000 0.000 2.371 306 D HA 0.498 5.137 4.640 -0.000 0.000 0.242 306 D C -0.062 176.244 176.300 0.010 0.000 1.218 306 D CA 1.094 55.104 54.000 0.017 0.000 0.945 306 D CB 1.547 42.366 40.800 0.031 0.000 1.137 306 D HN 0.538 nan 8.370 nan 0.000 0.464 307 S N -1.425 114.286 115.700 0.019 0.000 2.516 307 S HA -0.075 4.395 4.470 -0.000 0.000 0.282 307 S C 0.966 175.580 174.600 0.024 0.000 0.834 307 S CA 0.009 58.219 58.200 0.017 0.000 1.249 307 S CB -0.623 62.583 63.200 0.010 0.000 1.554 307 S HN 0.509 nan 8.310 nan 0.000 0.438 308 S N 1.019 116.732 115.700 0.022 0.000 2.353 308 S HA 0.061 4.531 4.470 -0.000 0.000 0.222 308 S C 1.302 175.920 174.600 0.030 0.000 1.035 308 S CA 1.000 59.215 58.200 0.026 0.000 1.025 308 S CB -1.320 61.893 63.200 0.021 0.000 0.902 308 S HN 1.617 nan 8.310 nan 0.000 0.440 309 G N 1.148 109.962 108.800 0.024 0.000 2.225 309 G HA2 0.337 4.296 3.960 -0.000 0.000 0.245 309 G HA3 0.337 4.296 3.960 -0.000 0.000 0.245 309 G C 0.477 175.394 174.900 0.028 0.000 1.249 309 G CA -0.334 44.781 45.100 0.025 0.000 0.919 309 G HN 0.509 nan 8.290 nan 0.000 0.486 310 I N 1.411 122.005 120.570 0.040 0.000 3.428 310 I HA 0.193 4.363 4.170 -0.000 0.000 0.286 310 I C 0.763 176.874 176.117 -0.009 0.000 1.287 310 I CA 0.603 61.936 61.300 0.055 0.000 1.396 310 I CB -0.321 37.750 38.000 0.118 0.000 1.062 310 I HN 0.223 nan 8.210 nan 0.000 0.471 311 L N -0.303 120.909 121.223 -0.018 0.000 2.518 311 L HA 0.487 4.827 4.340 -0.000 0.000 0.257 311 L C -1.334 175.551 176.870 0.025 0.000 0.980 311 L CA -0.352 54.453 54.840 -0.059 0.000 0.837 311 L CB 2.733 44.763 42.059 -0.048 0.000 1.410 311 L HN -0.034 nan 8.230 nan 0.000 0.410 312 T N -0.759 113.822 114.554 0.046 0.000 4.128 312 T HA 0.171 4.521 4.350 -0.000 0.000 0.376 312 T C -1.484 173.275 174.700 0.097 0.000 1.109 312 T CA -0.506 61.670 62.100 0.126 0.000 1.087 312 T CB 0.554 69.453 68.868 0.051 0.000 1.190 312 T HN 0.395 nan 8.240 nan 0.000 0.473 313 Y N 3.597 123.860 120.300 -0.062 0.000 2.595 313 Y HA 0.487 5.037 4.550 -0.000 0.000 0.336 313 Y C 0.639 176.364 175.900 -0.292 0.000 0.996 313 Y CA -0.826 57.070 58.100 -0.340 0.000 1.260 313 Y CB 0.747 38.689 38.460 -0.864 0.000 1.108 313 Y HN 0.822 nan 8.280 nan 0.000 0.509 314 T N 5.051 119.339 114.554 -0.444 0.000 2.992 314 T HA 0.161 4.511 4.350 -0.000 0.000 0.299 314 T C -0.172 174.238 174.700 -0.483 0.000 1.027 314 T CA -0.596 61.283 62.100 -0.369 0.000 1.001 314 T CB -0.939 67.795 68.868 -0.223 0.000 1.005 314 T HN 0.500 nan 8.240 nan 0.000 0.599 315 F N 2.732 122.306 119.950 -0.626 0.000 2.628 315 F HA 0.193 4.720 4.527 -0.000 0.000 0.362 315 F C 0.814 176.489 175.800 -0.209 0.000 1.148 315 F CA 0.007 57.739 58.000 -0.446 0.000 1.352 315 F CB 0.646 39.509 39.000 -0.228 0.000 1.081 315 F HN 0.763 nan 8.300 nan 0.000 0.605 316 Q N 2.115 121.424 119.800 -0.818 0.000 2.006 316 Q HA 0.159 4.498 4.340 -0.000 0.000 0.158 316 Q C -0.650 174.844 176.000 -0.842 0.000 0.530 316 Q CA -0.264 55.069 55.803 -0.783 0.000 0.784 316 Q CB 0.349 28.955 28.738 -0.219 0.000 1.031 316 Q HN 0.763 nan 8.270 nan 0.000 0.368 317 N N -0.190 118.434 118.700 -0.126 0.000 2.545 317 N HA 0.274 5.014 4.740 -0.000 0.000 0.289 317 N C -1.525 174.182 175.510 0.329 0.000 1.279 317 N CA -0.483 52.636 53.050 0.115 0.000 0.824 317 N CB 1.559 40.162 38.487 0.193 0.000 1.395 317 N HN 0.117 nan 8.380 nan 0.000 0.526 318 N N 0.636 119.509 118.700 0.288 0.000 2.687 318 N HA 0.357 5.097 4.740 -0.000 0.000 0.275 318 N C -1.333 174.278 175.510 0.168 0.000 1.789 318 N CA -0.277 52.920 53.050 0.245 0.000 0.806 318 N CB -0.106 38.532 38.487 0.252 0.000 1.256 318 N HN 0.521 nan 8.380 nan 0.000 0.500 319 I N 1.786 122.419 120.570 0.105 0.000 2.845 319 I HA 0.082 4.252 4.170 -0.000 0.000 0.296 319 I C -1.721 174.455 176.117 0.099 0.000 1.216 319 I CA -0.798 60.513 61.300 0.017 0.000 1.438 319 I CB 0.395 38.217 38.000 -0.296 0.000 1.342 319 I HN 0.268 nan 8.210 nan 0.000 0.577 320 P HA 0.228 nan 4.420 nan 0.000 0.287 320 P C -0.929 176.437 177.300 0.110 0.000 1.279 320 P CA -0.498 62.655 63.100 0.087 0.000 0.867 320 P CB 1.592 33.342 31.700 0.082 0.000 1.127 321 T N -1.555 112.953 114.554 -0.076 0.000 2.902 321 T HA 0.294 4.644 4.350 -0.000 0.000 0.283 321 T C 0.935 175.325 174.700 -0.517 0.000 1.009 321 T CA -0.803 61.089 62.100 -0.347 0.000 1.051 321 T CB 0.091 68.742 68.868 -0.361 0.000 0.999 321 T HN 0.402 nan 8.240 nan 0.000 0.474 322 N N 2.863 121.067 118.700 -0.827 0.000 2.410 322 N HA 0.028 4.768 4.740 -0.000 0.000 0.231 322 N C 0.041 175.231 175.510 -0.534 0.000 1.172 322 N CA -0.304 52.394 53.050 -0.586 0.000 0.849 322 N CB -0.172 37.943 38.487 -0.621 0.000 1.116 322 N HN 0.628 nan 8.380 nan 0.000 0.485 323 L N 2.126 122.996 121.223 -0.589 0.000 2.451 323 L HA -0.009 4.331 4.340 -0.000 0.000 0.272 323 L C 1.279 177.978 176.870 -0.284 0.000 1.258 323 L CA -0.354 54.135 54.840 -0.586 0.000 1.132 323 L CB -0.377 41.233 42.059 -0.748 0.000 1.361 323 L HN 0.258 nan 8.230 nan 0.000 0.438 324 S N 2.446 118.018 115.700 -0.213 0.000 2.106 324 S HA 0.108 4.578 4.470 -0.000 0.000 0.185 324 S C 1.329 175.941 174.600 0.021 0.000 1.399 324 S CA 0.012 58.159 58.200 -0.088 0.000 1.494 324 S CB -0.178 62.974 63.200 -0.080 0.000 0.576 324 S HN 0.705 nan 8.310 nan 0.000 0.391 325 A N 0.767 123.615 122.820 0.047 0.000 2.189 325 A HA -0.054 4.266 4.320 -0.000 0.000 0.272 325 A C 1.353 178.967 177.584 0.050 0.000 1.349 325 A CA 1.834 53.916 52.037 0.075 0.000 0.778 325 A CB -2.285 16.809 19.000 0.157 0.000 1.088 325 A HN 2.379 nan 8.150 nan 0.000 0.351 326 S N -3.143 112.565 115.700 0.014 0.000 2.829 326 S HA 0.003 4.473 4.470 -0.000 0.000 0.267 326 S C 1.192 175.791 174.600 -0.001 0.000 1.293 326 S CA 1.370 59.567 58.200 -0.006 0.000 1.375 326 S CB -2.359 60.827 63.200 -0.024 0.000 1.700 326 S HN 2.839 nan 8.310 nan 0.000 0.668 327 A N -0.298 122.547 122.820 0.041 0.000 2.969 327 A HA -0.101 4.219 4.320 -0.000 0.000 0.252 327 A C 0.342 177.956 177.584 0.050 0.000 1.377 327 A CA 1.094 53.161 52.037 0.050 0.000 0.859 327 A CB -2.745 16.238 19.000 -0.028 0.000 1.077 327 A HN 2.009 nan 8.150 nan 0.000 0.671 328 I N -3.458 117.087 120.570 -0.041 0.000 2.571 328 I HA 0.528 4.698 4.170 -0.000 0.000 0.282 328 I C -0.157 175.795 176.117 -0.276 0.000 1.085 328 I CA -0.867 60.347 61.300 -0.144 0.000 1.677 328 I CB -1.250 36.624 38.000 -0.209 0.000 1.460 328 I HN 0.290 nan 8.210 nan 0.000 0.693 329 W N 2.404 123.676 121.300 -0.048 0.000 2.485 329 W HA 0.577 5.237 4.660 -0.000 0.000 0.297 329 W C 0.192 176.857 176.519 0.244 0.000 0.999 329 W CA -0.700 56.660 57.345 0.025 0.000 1.512 329 W CB 1.224 30.563 29.460 -0.201 0.000 1.322 329 W HN 0.244 nan 8.180 nan 0.000 0.419 330 S N 1.643 117.599 115.700 0.428 0.000 2.576 330 S HA 0.363 4.833 4.470 -0.000 0.000 0.276 330 S C -0.106 174.806 174.600 0.520 0.000 1.339 330 S CA -0.736 57.718 58.200 0.423 0.000 1.039 330 S CB 1.490 64.837 63.200 0.245 0.000 0.902 330 S HN 0.414 nan 8.310 nan 0.000 0.516 331 I N 2.025 122.818 120.570 0.372 0.000 2.938 331 I HA 0.075 4.245 4.170 -0.000 0.000 0.285 331 I C 0.723 176.852 176.117 0.019 0.000 1.182 331 I CA 0.438 61.747 61.300 0.015 0.000 1.388 331 I CB 0.746 38.650 38.000 -0.161 0.000 1.390 331 I HN 0.579 nan 8.210 nan 0.000 0.600 332 V N 3.702 123.590 119.914 -0.043 0.000 3.572 332 V HA 0.354 4.474 4.120 -0.000 0.000 0.260 332 V C 0.106 176.196 176.094 -0.007 0.000 1.324 332 V CA 0.398 62.709 62.300 0.019 0.000 1.068 332 V CB -0.177 31.675 31.823 0.049 0.000 0.837 332 V HN 0.899 nan 8.190 nan 0.000 0.450 333 D N -0.549 119.805 120.400 -0.078 0.000 3.105 333 D HA 0.284 4.924 4.640 -0.000 0.000 0.297 333 D C -2.061 174.165 176.300 -0.122 0.000 1.148 333 D CA 0.127 54.093 54.000 -0.056 0.000 0.721 333 D CB 1.254 42.063 40.800 0.016 0.000 1.295 333 D HN 0.140 nan 8.370 nan 0.000 0.457 334 L N -1.544 119.618 121.223 -0.101 0.000 3.119 334 L HA 0.891 5.231 4.340 -0.000 0.000 0.283 334 L C -1.959 174.851 176.870 -0.100 0.000 1.028 334 L CA -0.740 54.012 54.840 -0.147 0.000 0.975 334 L CB 1.484 43.403 42.059 -0.234 0.000 1.543 334 L HN 0.316 nan 8.230 nan 0.000 0.390 335 V N 0.789 120.627 119.914 -0.128 0.000 2.823 335 V HA 0.592 4.712 4.120 -0.000 0.000 0.296 335 V C -1.779 174.238 176.094 -0.129 0.000 1.250 335 V CA -0.368 61.882 62.300 -0.084 0.000 0.939 335 V CB 1.925 33.728 31.823 -0.034 0.000 1.062 335 V HN 1.011 nan 8.190 nan 0.000 0.433 336 L N 6.360 127.521 121.223 -0.103 0.000 2.305 336 L HA 0.938 5.278 4.340 -0.000 0.000 0.281 336 L C 0.093 176.833 176.870 -0.216 0.000 1.085 336 L CA 1.615 56.365 54.840 -0.150 0.000 0.813 336 L CB 1.345 43.370 42.059 -0.056 0.000 1.157 336 L HN 1.110 nan 8.230 nan 0.000 0.436 337 T N 4.169 118.457 114.554 -0.443 0.000 2.717 337 T HA 0.346 4.696 4.350 -0.000 0.000 0.315 337 T C -0.698 173.575 174.700 -0.712 0.000 1.746 337 T CA -0.829 60.822 62.100 -0.748 0.000 1.001 337 T CB 0.609 69.301 68.868 -0.295 0.000 1.673 337 T HN 0.936 nan 8.240 nan 0.000 0.498 338 R N 1.538 121.607 120.500 -0.719 0.000 2.903 338 R HA 0.051 4.391 4.340 -0.000 0.000 0.277 338 R C -2.314 173.856 176.300 -0.217 0.000 0.973 338 R CA -0.313 55.572 56.100 -0.359 0.000 1.149 338 R CB -1.428 28.803 30.300 -0.114 0.000 1.068 338 R HN 0.587 nan 8.270 nan 0.000 0.470 339 P HA 0.022 nan 4.420 nan 0.000 0.274 339 P C -0.058 177.228 177.300 -0.023 0.000 1.246 339 P CA -0.407 62.651 63.100 -0.069 0.000 0.795 339 P CB 0.828 32.506 31.700 -0.037 0.000 1.006 340 L N 0.745 121.972 121.223 0.008 0.000 3.277 340 L HA 0.364 4.704 4.340 -0.000 0.000 0.178 340 L C 0.008 176.922 176.870 0.074 0.000 1.384 340 L CA 1.214 56.090 54.840 0.060 0.000 1.254 340 L CB -0.668 41.437 42.059 0.078 0.000 1.593 340 L HN 0.703 nan 8.230 nan 0.000 0.748 341 E N -0.331 119.905 120.200 0.061 0.000 2.391 341 E HA 0.185 4.535 4.350 -0.000 0.000 0.238 341 E C -1.368 175.247 176.600 0.026 0.000 1.153 341 E CA -0.019 56.412 56.400 0.052 0.000 0.530 341 E CB -1.351 28.398 29.700 0.082 0.000 1.038 341 E HN 0.326 nan 8.360 nan 0.000 0.416 342 L N 0.440 121.670 121.223 0.012 0.000 2.798 342 L HA 0.537 4.876 4.340 -0.000 0.000 0.230 342 L C 1.284 178.154 176.870 -0.000 0.000 1.868 342 L CA -1.032 53.804 54.840 -0.007 0.000 2.126 342 L CB -0.299 41.754 42.059 -0.009 0.000 2.569 342 L HN 0.072 nan 8.230 nan 0.000 0.592 343 N N -0.104 118.596 118.700 0.001 0.000 2.048 343 N HA -0.038 4.701 4.740 -0.000 0.000 0.193 343 N C 0.528 176.048 175.510 0.016 0.000 1.061 343 N CA 0.629 53.683 53.050 0.008 0.000 0.849 343 N CB -0.497 37.997 38.487 0.011 0.000 1.044 343 N HN 0.174 nan 8.380 nan 0.000 0.429 344 V N 0.898 120.824 119.914 0.021 0.000 3.625 344 V HA -0.068 4.052 4.120 -0.000 0.000 0.302 344 V C 1.636 177.745 176.094 0.025 0.000 1.112 344 V CA 0.398 62.712 62.300 0.024 0.000 1.173 344 V CB 0.761 32.601 31.823 0.028 0.000 1.096 344 V HN 0.364 nan 8.190 nan 0.000 0.486 345 E N 1.182 121.399 120.200 0.027 0.000 2.152 345 E HA 0.221 4.571 4.350 -0.000 0.000 0.195 345 E C 1.180 177.803 176.600 0.038 0.000 0.934 345 E CA 0.626 57.044 56.400 0.030 0.000 0.869 345 E CB -0.298 29.419 29.700 0.027 0.000 0.842 345 E HN 0.875 nan 8.360 nan 0.000 0.472 346 A N 1.187 124.029 122.820 0.037 0.000 2.504 346 A HA 0.191 4.511 4.320 -0.000 0.000 0.280 346 A C 0.223 177.845 177.584 0.063 0.000 1.125 346 A CA 1.121 53.185 52.037 0.046 0.000 0.873 346 A CB -0.864 18.159 19.000 0.037 0.000 0.997 346 A HN 0.160 nan 8.150 nan 0.000 0.542 347 S N 1.192 116.942 115.700 0.084 0.000 2.588 347 S HA 0.762 5.232 4.470 -0.000 0.000 0.275 347 S C -0.371 174.347 174.600 0.197 0.000 1.130 347 S CA -0.187 58.076 58.200 0.105 0.000 0.855 347 S CB 1.218 64.456 63.200 0.064 0.000 1.116 347 S HN 0.989 nan 8.310 nan 0.000 0.472 348 Y N 2.208 122.518 120.300 0.017 0.000 3.004 348 Y HA 0.524 5.074 4.550 -0.000 0.000 0.236 348 Y C -1.228 174.674 175.900 0.003 0.000 1.097 348 Y CA -0.016 58.102 58.100 0.029 0.000 1.351 348 Y CB -0.011 38.484 38.460 0.059 0.000 1.406 348 Y HN 0.610 nan 8.280 nan 0.000 0.460 349 L N 1.267 122.506 121.223 0.026 0.000 2.415 349 L HA 0.538 4.878 4.340 -0.000 0.000 0.256 349 L C -1.694 175.096 176.870 -0.133 0.000 1.010 349 L CA -0.897 53.864 54.840 -0.132 0.000 0.826 349 L CB 2.246 44.276 42.059 -0.049 0.000 1.405 349 L HN 0.084 nan 8.230 nan 0.000 0.410 350 N N 2.300 120.875 118.700 -0.208 0.000 2.480 350 N HA 0.417 5.157 4.740 -0.000 0.000 0.289 350 N C -1.426 173.942 175.510 -0.236 0.000 1.073 350 N CA -0.314 52.621 53.050 -0.192 0.000 0.885 350 N CB 2.167 40.571 38.487 -0.138 0.000 1.421 350 N HN 0.280 nan 8.380 nan 0.000 0.503 351 L N 3.976 125.032 121.223 -0.278 0.000 2.314 351 L HA 0.553 4.892 4.340 -0.000 0.000 0.275 351 L C -0.846 175.870 176.870 -0.256 0.000 1.068 351 L CA -0.299 54.352 54.840 -0.315 0.000 0.894 351 L CB -0.206 41.584 42.059 -0.448 0.000 1.275 351 L HN 0.507 nan 8.230 nan 0.000 0.432 352 I N 5.557 126.018 120.570 -0.181 0.000 2.505 352 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 352 I C -0.294 175.737 176.117 -0.142 0.000 1.104 352 I CA -0.160 61.068 61.300 -0.120 0.000 1.387 352 I CB 0.405 38.364 38.000 -0.068 0.000 1.404 352 I HN 0.264 nan 8.210 nan 0.000 0.528 353 V N 7.464 127.314 119.914 -0.108 0.000 2.628 353 V HA 0.511 4.631 4.120 -0.000 0.000 0.306 353 V C -0.356 175.620 176.094 -0.198 0.000 1.045 353 V CA -0.802 61.391 62.300 -0.177 0.000 0.905 353 V CB 2.184 33.986 31.823 -0.034 0.000 0.997 353 V HN 0.503 nan 8.190 nan 0.000 0.436 354 L N 4.140 125.160 121.223 -0.338 0.000 2.406 354 L HA 0.744 5.083 4.340 -0.000 0.000 0.272 354 L C -1.479 175.242 176.870 -0.249 0.000 0.980 354 L CA 0.089 54.811 54.840 -0.197 0.000 0.831 354 L CB 1.433 43.443 42.059 -0.081 0.000 1.253 354 L HN 0.697 nan 8.230 nan 0.000 0.406 355 W N 4.003 125.359 121.300 0.092 0.000 2.671 355 W HA 0.764 5.424 4.660 -0.000 0.000 0.360 355 W C -0.289 176.403 176.519 0.287 0.000 1.128 355 W CA -0.648 56.813 57.345 0.193 0.000 1.184 355 W CB 1.240 30.823 29.460 0.206 0.000 1.415 355 W HN 0.416 nan 8.180 nan 0.000 0.604 356 K N 0.395 121.157 120.400 0.603 0.000 2.433 356 K HA 0.719 5.039 4.320 -0.000 0.000 0.252 356 K C -1.225 175.533 176.600 0.263 0.000 1.015 356 K CA -0.821 55.705 56.287 0.398 0.000 0.860 356 K CB 2.008 34.624 32.500 0.193 0.000 1.359 356 K HN 0.330 nan 8.250 nan 0.000 0.452 357 S N 1.346 117.044 115.700 -0.002 0.000 2.325 357 S HA 0.476 4.946 4.470 -0.000 0.000 0.228 357 S C -0.149 174.343 174.600 -0.180 0.000 0.942 357 S CA 0.286 58.306 58.200 -0.300 0.000 1.070 357 S CB -0.158 62.443 63.200 -0.999 0.000 1.232 357 S HN 1.242 nan 8.310 nan 0.000 0.405 358 G N 3.997 112.740 108.800 -0.095 0.000 2.552 358 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.265 358 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.265 358 G C 0.972 175.855 174.900 -0.028 0.000 1.234 358 G CA 0.958 46.026 45.100 -0.053 0.000 0.944 358 G HN 1.909 nan 8.290 nan 0.000 0.568 359 T N -0.473 114.070 114.554 -0.019 0.000 2.770 359 T HA 0.421 4.771 4.350 -0.000 0.000 0.263 359 T C 1.894 176.591 174.700 -0.004 0.000 1.039 359 T CA 2.008 64.092 62.100 -0.026 0.000 1.142 359 T CB -0.767 68.098 68.868 -0.006 0.000 0.868 359 T HN 2.341 nan 8.240 nan 0.000 0.435 360 A N 1.924 124.760 122.820 0.026 0.000 2.613 360 A HA 0.445 4.765 4.320 -0.000 0.000 0.230 360 A C 0.711 178.413 177.584 0.196 0.000 1.051 360 A CA 0.260 52.356 52.037 0.099 0.000 0.754 360 A CB -0.333 18.719 19.000 0.086 0.000 0.979 360 A HN 1.137 nan 8.150 nan 0.000 0.510 361 S N 0.634 116.512 115.700 0.297 0.000 2.607 361 S HA 0.778 5.247 4.470 -0.000 0.000 0.273 361 S C -0.869 173.931 174.600 0.333 0.000 1.148 361 S CA -0.869 57.565 58.200 0.391 0.000 0.833 361 S CB 1.795 65.133 63.200 0.230 0.000 1.130 361 S HN 0.934 nan 8.310 nan 0.000 0.470 362 K N 0.571 121.116 120.400 0.241 0.000 2.443 362 K HA 0.672 4.991 4.320 -0.000 0.000 0.252 362 K C -2.105 174.522 176.600 0.046 0.000 0.933 362 K CA -0.863 55.424 56.287 0.001 0.000 0.792 362 K CB 1.827 34.076 32.500 -0.419 0.000 1.185 362 K HN 0.741 nan 8.250 nan 0.000 0.425 363 L N 3.465 124.619 121.223 -0.114 0.000 2.362 363 L HA 0.453 4.793 4.340 -0.000 0.000 0.275 363 L C -1.500 175.309 176.870 -0.101 0.000 0.998 363 L CA -0.039 54.694 54.840 -0.177 0.000 0.820 363 L CB 1.785 43.508 42.059 -0.560 0.000 1.270 363 L HN 0.712 nan 8.230 nan 0.000 0.415 364 Q N 5.036 124.865 119.800 0.048 0.000 2.423 364 Q HA 0.616 4.956 4.340 -0.000 0.000 0.278 364 Q C -1.430 174.626 176.000 0.093 0.000 1.097 364 Q CA -0.754 55.139 55.803 0.150 0.000 0.809 364 Q CB 3.191 32.195 28.738 0.443 0.000 1.391 364 Q HN 0.580 nan 8.270 nan 0.000 0.428 365 I N 2.185 122.793 120.570 0.064 0.000 2.406 365 I HA 0.251 4.420 4.170 -0.000 0.000 0.290 365 I C -1.104 174.952 176.117 -0.102 0.000 0.999 365 I CA -0.981 60.296 61.300 -0.038 0.000 1.124 365 I CB 1.536 39.515 38.000 -0.034 0.000 1.289 365 I HN 0.350 nan 8.210 nan 0.000 0.441 366 L N 7.268 128.299 121.223 -0.320 0.000 2.287 366 L HA 0.383 4.723 4.340 -0.000 0.000 0.280 366 L C -0.135 176.500 176.870 -0.390 0.000 1.055 366 L CA -0.157 54.292 54.840 -0.650 0.000 0.863 366 L CB 0.230 41.614 42.059 -1.125 0.000 1.245 366 L HN 0.523 nan 8.230 nan 0.000 0.432 367 N N 3.303 121.871 118.700 -0.220 0.000 2.497 367 N HA 0.270 5.010 4.740 -0.000 0.000 0.268 367 N C -0.663 174.815 175.510 -0.053 0.000 1.171 367 N CA -0.175 52.816 53.050 -0.098 0.000 0.948 367 N CB 1.096 39.569 38.487 -0.022 0.000 1.069 367 N HN 0.419 nan 8.380 nan 0.000 0.460 368 V N 2.161 122.069 119.914 -0.010 0.000 2.311 368 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 368 V C 0.617 176.786 176.094 0.124 0.000 1.022 368 V CA -0.734 61.610 62.300 0.074 0.000 0.830 368 V CB 0.683 32.565 31.823 0.099 0.000 1.012 368 V HN 0.654 nan 8.190 nan 0.000 0.452 369 N N 3.724 122.488 118.700 0.106 0.000 2.036 369 N HA -0.114 4.626 4.740 -0.000 0.000 0.195 369 N C 0.232 175.791 175.510 0.081 0.000 1.037 369 N CA 2.230 55.330 53.050 0.082 0.000 0.855 369 N CB -0.174 38.345 38.487 0.052 0.000 1.033 369 N HN 1.040 nan 8.380 nan 0.000 0.423 370 D N -1.790 118.646 120.400 0.061 0.000 2.523 370 D HA 0.270 4.910 4.640 -0.000 0.000 0.236 370 D C -0.034 176.200 176.300 -0.110 0.000 1.094 370 D CA -0.720 53.262 54.000 -0.030 0.000 0.942 370 D CB 0.913 41.686 40.800 -0.046 0.000 1.447 370 D HN -0.070 nan 8.370 nan 0.000 0.479 371 E N -0.228 119.739 120.200 -0.389 0.000 2.171 371 E HA -0.147 4.202 4.350 -0.000 0.000 0.197 371 E C 0.365 176.728 176.600 -0.395 0.000 0.997 371 E CA 0.826 56.872 56.400 -0.590 0.000 0.810 371 E CB 0.016 29.304 29.700 -0.688 0.000 0.738 371 E HN 0.382 nan 8.360 nan 0.000 0.467 372 S N 0.215 115.777 115.700 -0.231 0.000 2.515 372 S HA 0.004 4.473 4.470 -0.000 0.000 0.285 372 S C -0.035 174.612 174.600 0.078 0.000 1.265 372 S CA -0.383 57.720 58.200 -0.162 0.000 1.079 372 S CB -0.086 63.058 63.200 -0.093 0.000 0.877 372 S HN 0.130 nan 8.310 nan 0.000 0.493 373 F N 5.454 125.370 119.950 -0.057 0.000 2.662 373 F HA 0.202 4.729 4.527 -0.000 0.000 0.365 373 F C 1.469 177.304 175.800 0.059 0.000 1.222 373 F CA -0.355 57.644 58.000 -0.001 0.000 1.315 373 F CB -0.040 38.940 39.000 -0.033 0.000 1.711 373 F HN 0.680 nan 8.300 nan 0.000 0.651 374 K N -0.489 120.069 120.400 0.264 0.000 2.648 374 K HA 0.034 4.354 4.320 -0.000 0.000 0.194 374 K C 0.132 176.786 176.600 0.089 0.000 1.721 374 K CA -0.136 56.268 56.287 0.196 0.000 1.183 374 K CB 0.470 33.027 32.500 0.095 0.000 1.618 374 K HN 0.024 nan 8.250 nan 0.000 0.595 375 N N 1.821 120.569 118.700 0.079 0.000 2.767 375 N HA 0.121 4.861 4.740 -0.000 0.000 0.238 375 N C -1.535 174.014 175.510 0.064 0.000 1.083 375 N CA 0.011 53.056 53.050 -0.008 0.000 0.964 375 N CB 0.301 38.790 38.487 0.003 0.000 1.252 375 N HN 0.118 nan 8.380 nan 0.000 0.512 376 Y N -0.666 119.658 120.300 0.041 0.000 2.524 376 Y HA 0.694 5.243 4.550 -0.000 0.000 0.344 376 Y C -0.422 175.496 175.900 0.030 0.000 1.012 376 Y CA -1.221 56.881 58.100 0.004 0.000 1.068 376 Y CB 1.410 39.846 38.460 -0.040 0.000 1.249 376 Y HN 0.040 nan 8.280 nan 0.000 0.468 377 E N 2.449 122.796 120.200 0.245 0.000 2.260 377 E HA 0.221 4.571 4.350 -0.000 0.000 0.266 377 E C -2.133 174.592 176.600 0.209 0.000 0.887 377 E CA -0.611 55.922 56.400 0.222 0.000 0.777 377 E CB 1.130 30.897 29.700 0.113 0.000 1.205 377 E HN 0.819 nan 8.360 nan 0.000 0.414 378 W N 4.380 125.781 121.300 0.169 0.000 2.315 378 W HA 0.412 5.072 4.660 -0.000 0.000 0.316 378 W C 0.263 176.812 176.519 0.051 0.000 1.211 378 W CA -0.173 57.234 57.345 0.103 0.000 1.201 378 W CB 0.678 30.196 29.460 0.097 0.000 1.184 378 W HN 0.313 nan 8.180 nan 0.000 0.544 379 I N 2.966 123.704 120.570 0.280 0.000 2.509 379 I HA 0.288 4.458 4.170 -0.000 0.000 0.293 379 I C 0.068 176.271 176.117 0.143 0.000 1.020 379 I CA -1.012 60.380 61.300 0.153 0.000 1.088 379 I CB 1.786 39.826 38.000 0.067 0.000 1.267 379 I HN 0.390 nan 8.210 nan 0.000 0.430 380 E N 3.258 123.504 120.200 0.077 0.000 2.316 380 E HA 0.659 5.009 4.350 -0.000 0.000 0.258 380 E C -1.041 175.545 176.600 -0.024 0.000 0.952 380 E CA -0.700 55.716 56.400 0.026 0.000 0.818 380 E CB 2.496 32.196 29.700 0.001 0.000 1.260 380 E HN 0.661 nan 8.360 nan 0.000 0.416 381 S N -1.162 114.501 115.700 -0.061 0.000 2.588 381 S HA 0.388 4.858 4.470 -0.000 0.000 0.275 381 S C -0.553 174.019 174.600 -0.047 0.000 1.130 381 S CA -0.950 57.204 58.200 -0.076 0.000 0.855 381 S CB 1.100 64.231 63.200 -0.115 0.000 1.116 381 S HN 0.204 nan 8.310 nan 0.000 0.472 382 V N 3.666 123.550 119.914 -0.049 0.000 2.493 382 V HA 0.091 4.211 4.120 -0.000 0.000 0.292 382 V C 1.444 177.604 176.094 0.110 0.000 1.016 382 V CA -0.063 62.238 62.300 0.003 0.000 1.097 382 V CB -0.534 31.227 31.823 -0.104 0.000 0.947 382 V HN 1.008 nan 8.190 nan 0.000 0.479 383 N N 3.489 122.263 118.700 0.124 0.000 2.449 383 N HA 0.003 4.743 4.740 -0.000 0.000 0.191 383 N C 0.149 175.770 175.510 0.186 0.000 1.161 383 N CA 0.077 53.236 53.050 0.182 0.000 0.863 383 N CB 0.359 38.938 38.487 0.153 0.000 0.980 383 N HN 0.480 nan 8.380 nan 0.000 0.458 384 K N 0.691 121.185 120.400 0.157 0.000 2.468 384 K HA 0.171 4.491 4.320 -0.000 0.000 0.252 384 K C -0.601 176.074 176.600 0.125 0.000 0.932 384 K CA -0.519 55.848 56.287 0.134 0.000 0.794 384 K CB 2.684 35.260 32.500 0.126 0.000 1.241 384 K HN 0.162 nan 8.250 nan 0.000 0.428 385 S N 1.833 117.588 115.700 0.092 0.000 2.560 385 S HA -0.030 4.440 4.470 -0.000 0.000 0.276 385 S C 1.452 176.138 174.600 0.142 0.000 1.350 385 S CA -0.095 58.156 58.200 0.085 0.000 1.024 385 S CB 0.362 63.589 63.200 0.045 0.000 0.864 385 S HN 0.630 nan 8.310 nan 0.000 0.536 386 L N 4.182 125.512 121.223 0.178 0.000 2.093 386 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 386 L C 2.116 179.065 176.870 0.132 0.000 1.085 386 L CA 1.619 56.579 54.840 0.200 0.000 0.755 386 L CB -0.484 41.659 42.059 0.140 0.000 0.904 386 L HN 0.704 nan 8.230 nan 0.000 0.435 387 V N 0.056 120.043 119.914 0.122 0.000 2.237 387 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 387 V C 2.281 178.401 176.094 0.044 0.000 1.046 387 V CA 2.082 64.434 62.300 0.087 0.000 1.007 387 V CB -0.994 30.846 31.823 0.028 0.000 0.638 387 V HN 0.455 nan 8.190 nan 0.000 0.445 388 D N 0.182 120.606 120.400 0.040 0.000 2.133 388 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 388 D C 2.127 178.467 176.300 0.066 0.000 1.001 388 D CA 1.437 55.471 54.000 0.058 0.000 0.844 388 D CB -0.387 40.459 40.800 0.077 0.000 0.944 388 D HN 0.342 nan 8.370 nan 0.000 0.447 389 L N 0.581 121.838 121.223 0.055 0.000 2.083 389 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 389 L C 2.638 179.490 176.870 -0.030 0.000 1.083 389 L CA 1.185 56.010 54.840 -0.024 0.000 0.752 389 L CB -0.226 41.824 42.059 -0.016 0.000 0.899 389 L HN 0.055 nan 8.230 nan 0.000 0.433 390 Q N -1.334 118.490 119.800 0.039 0.000 2.050 390 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 390 Q C 2.452 178.499 176.000 0.078 0.000 0.980 390 Q CA 1.841 57.681 55.803 0.061 0.000 0.840 390 Q CB -0.273 28.512 28.738 0.078 0.000 0.898 390 Q HN 0.381 nan 8.270 nan 0.000 0.424 391 S N 0.362 116.107 115.700 0.075 0.000 2.359 391 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 391 S C 1.693 176.365 174.600 0.120 0.000 1.035 391 S CA 1.217 59.470 58.200 0.088 0.000 1.018 391 S CB -0.079 63.174 63.200 0.089 0.000 0.876 391 S HN 0.300 nan 8.310 nan 0.000 0.448 392 E N -0.076 120.215 120.200 0.152 0.000 2.019 392 E HA -0.193 4.157 4.350 -0.000 0.000 0.208 392 E C 1.234 178.006 176.600 0.287 0.000 1.030 392 E CA 1.626 58.164 56.400 0.229 0.000 0.856 392 E CB -0.347 29.551 29.700 0.330 0.000 0.781 392 E HN 0.582 nan 8.360 nan 0.000 0.471 393 H N 0.750 119.852 119.070 0.052 0.000 2.689 393 H HA 0.062 4.618 4.556 -0.000 0.000 0.290 393 H C -0.600 174.751 175.328 0.039 0.000 1.089 393 H CA 0.443 56.515 56.048 0.041 0.000 1.194 393 H CB -1.189 28.598 29.762 0.041 0.000 1.289 393 H HN 0.204 nan 8.280 nan 0.000 0.616 394 D N 0.601 121.092 120.400 0.152 0.000 3.061 394 D HA -0.207 4.433 4.640 -0.000 0.000 0.203 394 D C 0.154 176.512 176.300 0.096 0.000 1.245 394 D CA 0.399 54.458 54.000 0.098 0.000 0.812 394 D CB -0.733 40.108 40.800 0.068 0.000 0.857 394 D HN 0.504 nan 8.370 nan 0.000 0.387 395 L N 0.915 122.197 121.223 0.098 0.000 3.086 395 L HA 0.193 4.533 4.340 -0.000 0.000 0.274 395 L C 0.676 177.600 176.870 0.091 0.000 1.184 395 L CA -0.472 54.424 54.840 0.093 0.000 1.002 395 L CB 0.406 42.526 42.059 0.100 0.000 1.383 395 L HN 0.236 nan 8.230 nan 0.000 0.582 396 D N 1.404 121.853 120.400 0.082 0.000 2.325 396 D HA 0.167 4.807 4.640 -0.000 0.000 0.251 396 D C 0.655 177.005 176.300 0.083 0.000 1.196 396 D CA 0.166 54.213 54.000 0.080 0.000 0.866 396 D CB 1.296 42.129 40.800 0.055 0.000 1.101 396 D HN 0.201 nan 8.370 nan 0.000 0.476 397 I N 3.028 123.670 120.570 0.121 0.000 4.018 397 I HA -0.044 4.126 4.170 -0.000 0.000 0.337 397 I C 1.519 177.731 176.117 0.158 0.000 1.327 397 I CA -0.084 61.304 61.300 0.146 0.000 1.100 397 I CB 0.728 38.845 38.000 0.194 0.000 1.025 397 I HN 0.241 nan 8.210 nan 0.000 0.396 398 V N -1.115 118.839 119.914 0.068 0.000 2.672 398 V HA 0.037 4.156 4.120 -0.000 0.000 0.242 398 V C 1.157 177.188 176.094 -0.105 0.000 1.059 398 V CA 0.563 62.812 62.300 -0.085 0.000 1.081 398 V CB -0.623 31.006 31.823 -0.324 0.000 0.752 398 V HN 0.264 nan 8.190 nan 0.000 0.472 399 T N 2.616 117.128 114.554 -0.069 0.000 2.849 399 T HA 0.003 4.353 4.350 -0.000 0.000 0.289 399 T C 0.249 174.927 174.700 -0.036 0.000 1.010 399 T CA 0.462 62.521 62.100 -0.069 0.000 1.161 399 T CB -0.123 68.715 68.868 -0.050 0.000 0.989 399 T HN 0.347 nan 8.240 nan 0.000 0.523 400 K N 3.755 124.127 120.400 -0.047 0.000 2.419 400 K HA 0.127 4.446 4.320 -0.000 0.000 0.282 400 K C 1.046 177.639 176.600 -0.012 0.000 1.056 400 K CA -0.078 56.197 56.287 -0.021 0.000 1.035 400 K CB 0.147 32.626 32.500 -0.035 0.000 0.921 400 K HN 0.715 nan 8.250 nan 0.000 0.472 401 T N -0.499 114.056 114.554 0.003 0.000 2.936 401 T HA 0.774 5.124 4.350 -0.000 0.000 0.282 401 T C 0.833 175.536 174.700 0.005 0.000 1.003 401 T CA -0.115 61.989 62.100 0.007 0.000 1.005 401 T CB 2.039 70.915 68.868 0.014 0.000 1.097 401 T HN 0.681 nan 8.240 nan 0.000 0.532 402 G N 0.907 109.712 108.800 0.008 0.000 1.695 402 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.089 402 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.089 402 G C -0.150 174.755 174.900 0.009 0.000 1.061 402 G CA 0.178 45.281 45.100 0.006 0.000 1.207 402 G HN 0.943 nan 8.290 nan 0.000 0.389 403 D N -0.164 120.240 120.400 0.006 0.000 2.054 403 D HA 0.267 4.907 4.640 -0.000 0.000 0.241 403 D C 1.539 177.849 176.300 0.017 0.000 1.276 403 D CA 1.461 55.465 54.000 0.008 0.000 0.947 403 D CB 0.857 41.660 40.800 0.005 0.000 1.340 403 D HN 0.848 nan 8.370 nan 0.000 0.538 404 V N -0.816 119.108 119.914 0.016 0.000 3.159 404 V HA 0.118 4.238 4.120 -0.000 0.000 0.234 404 V C 1.693 177.831 176.094 0.073 0.000 1.313 404 V CA 0.585 62.905 62.300 0.033 0.000 1.271 404 V CB -0.319 31.493 31.823 -0.018 0.000 1.053 404 V HN 0.499 nan 8.190 nan 0.000 0.476 405 E N 0.317 120.529 120.200 0.021 0.000 2.338 405 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 405 E C 1.993 178.670 176.600 0.128 0.000 1.007 405 E CA 1.110 57.537 56.400 0.045 0.000 0.849 405 E CB 0.111 29.803 29.700 -0.012 0.000 0.774 405 E HN 0.517 nan 8.360 nan 0.000 0.506 406 R N 0.505 121.053 120.500 0.080 0.000 2.048 406 R HA -0.016 4.324 4.340 -0.000 0.000 0.224 406 R C 2.291 178.633 176.300 0.069 0.000 1.163 406 R CA 1.696 57.828 56.100 0.052 0.000 0.956 406 R CB -1.025 29.286 30.300 0.019 0.000 0.849 406 R HN 0.097 nan 8.270 nan 0.000 0.435 407 G N -0.587 108.259 108.800 0.076 0.000 2.516 407 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.221 407 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.221 407 G C 1.187 176.150 174.900 0.105 0.000 1.107 407 G CA 0.767 45.909 45.100 0.070 0.000 0.747 407 G HN 0.352 nan 8.290 nan 0.000 0.567 408 F N 0.091 120.032 119.950 -0.016 0.000 2.179 408 F HA 0.083 4.610 4.527 -0.000 0.000 0.292 408 F C 2.753 178.515 175.800 -0.064 0.000 1.089 408 F CA 0.626 58.628 58.000 0.004 0.000 1.295 408 F CB -0.591 38.430 39.000 0.034 0.000 1.041 408 F HN 0.197 nan 8.300 nan 0.000 0.487 409 C N 0.821 120.160 119.300 0.064 0.000 2.413 409 C HA -0.222 4.238 4.460 -0.000 0.000 0.277 409 C C 2.653 177.530 174.990 -0.189 0.000 1.228 409 C CA 1.686 60.658 59.018 -0.076 0.000 1.731 409 C CB -1.502 26.225 27.740 -0.022 0.000 2.042 409 C HN 0.538 nan 8.230 nan 0.000 0.468 410 N N 1.076 119.699 118.700 -0.128 0.000 2.020 410 N HA -0.176 4.564 4.740 -0.000 0.000 0.200 410 N C 1.517 176.912 175.510 -0.191 0.000 1.054 410 N CA 1.792 54.753 53.050 -0.147 0.000 0.874 410 N CB -1.063 37.372 38.487 -0.087 0.000 1.075 410 N HN 0.455 nan 8.380 nan 0.000 0.446 411 L N 0.725 121.862 121.223 -0.143 0.000 2.085 411 L HA -0.289 4.051 4.340 -0.000 0.000 0.218 411 L C 2.392 179.127 176.870 -0.224 0.000 1.080 411 L CA 1.588 56.390 54.840 -0.064 0.000 0.776 411 L CB -0.415 41.620 42.059 -0.040 0.000 0.891 411 L HN 0.314 nan 8.230 nan 0.000 0.437 412 K N -0.711 119.298 120.400 -0.652 0.000 2.097 412 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 412 K C 2.167 178.478 176.600 -0.481 0.000 1.049 412 K CA 1.607 57.268 56.287 -1.043 0.000 0.933 412 K CB 0.087 31.904 32.500 -1.138 0.000 0.717 412 K HN 0.210 nan 8.250 nan 0.000 0.442 413 S N 0.286 115.774 115.700 -0.353 0.000 2.336 413 S HA -0.071 4.399 4.470 -0.000 0.000 0.216 413 S C 1.769 176.188 174.600 -0.302 0.000 1.032 413 S CA 0.773 58.794 58.200 -0.299 0.000 0.973 413 S CB -0.271 62.748 63.200 -0.301 0.000 0.888 413 S HN 0.357 nan 8.310 nan 0.000 0.455 414 R N -0.490 119.818 120.500 -0.319 0.000 2.211 414 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 414 R C 1.205 177.174 176.300 -0.553 0.000 1.144 414 R CA 1.482 57.325 56.100 -0.427 0.000 0.992 414 R CB -0.152 29.903 30.300 -0.409 0.000 0.869 414 R HN 0.450 nan 8.270 nan 0.000 0.462 415 Y N -1.347 118.866 120.300 -0.145 0.000 2.581 415 Y HA 0.302 4.852 4.550 -0.000 0.000 0.271 415 Y C 0.888 176.763 175.900 -0.041 0.000 1.100 415 Y CA 0.705 58.767 58.100 -0.064 0.000 1.281 415 Y CB 0.733 39.187 38.460 -0.009 0.000 1.237 415 Y HN 0.247 nan 8.280 nan 0.000 0.514 416 G N 0.577 109.389 108.800 0.020 0.000 2.854 416 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.686 416 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.686 416 G C 0.666 175.625 174.900 0.098 0.000 1.202 416 G CA 0.048 45.147 45.100 -0.002 0.000 0.878 416 G HN 0.245 nan 8.290 nan 0.000 0.583 417 T N 0.836 115.429 114.554 0.064 0.000 2.327 417 T HA -0.475 3.875 4.350 -0.000 0.000 0.205 417 T C 2.254 177.074 174.700 0.200 0.000 1.544 417 T CA 3.002 65.184 62.100 0.137 0.000 1.023 417 T CB -0.712 68.210 68.868 0.091 0.000 0.802 417 T HN 0.969 nan 8.240 nan 0.000 0.450 418 Q N 0.083 119.994 119.800 0.184 0.000 1.978 418 Q HA -0.180 4.160 4.340 -0.000 0.000 0.211 418 Q C 2.433 178.622 176.000 0.316 0.000 1.013 418 Q CA 2.452 58.397 55.803 0.236 0.000 0.869 418 Q CB -0.422 28.454 28.738 0.230 0.000 0.953 418 Q HN 0.689 nan 8.270 nan 0.000 0.415 419 I N -0.079 120.708 120.570 0.362 0.000 2.264 419 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 419 I C 2.219 178.400 176.117 0.107 0.000 1.111 419 I CA 0.906 62.345 61.300 0.232 0.000 1.382 419 I CB -0.281 37.850 38.000 0.219 0.000 1.060 419 I HN 0.306 nan 8.210 nan 0.000 0.418 420 F N 1.574 121.527 119.950 0.005 0.000 2.259 420 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 420 F C 2.346 178.112 175.800 -0.057 0.000 1.088 420 F CA 1.521 59.475 58.000 -0.076 0.000 1.358 420 F CB -0.091 38.868 39.000 -0.069 0.000 1.040 420 F HN 0.010 nan 8.300 nan 0.000 0.505 421 E N -0.618 119.638 120.200 0.093 0.000 2.170 421 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 421 E C 2.136 178.716 176.600 -0.034 0.000 0.981 421 E CA 0.348 56.753 56.400 0.009 0.000 0.830 421 E CB -0.029 29.736 29.700 0.108 0.000 0.775 421 E HN 0.089 nan 8.360 nan 0.000 0.470 422 R N 1.116 121.625 120.500 0.014 0.000 2.096 422 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 422 R C 1.822 178.060 176.300 -0.104 0.000 1.127 422 R CA 1.675 57.776 56.100 0.002 0.000 0.968 422 R CB -0.535 29.796 30.300 0.051 0.000 0.861 422 R HN 0.114 nan 8.270 nan 0.000 0.440 423 A N -0.087 122.615 122.820 -0.197 0.000 2.066 423 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 423 A C 1.905 179.338 177.584 -0.251 0.000 1.157 423 A CA 1.026 52.911 52.037 -0.253 0.000 0.670 423 A CB -0.273 18.520 19.000 -0.345 0.000 0.804 423 A HN 0.465 nan 8.150 nan 0.000 0.453 424 Q N -0.959 118.665 119.800 -0.293 0.000 2.389 424 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 424 Q C 2.157 178.116 176.000 -0.069 0.000 0.944 424 Q CA 1.000 56.672 55.803 -0.218 0.000 0.908 424 Q CB 0.063 28.619 28.738 -0.304 0.000 1.002 424 Q HN 0.901 nan 8.270 nan 0.000 0.493 425 Q N 1.047 120.811 119.800 -0.061 0.000 1.961 425 Q HA -0.110 4.230 4.340 -0.000 0.000 0.197 425 Q C 2.034 178.023 176.000 -0.017 0.000 0.977 425 Q CA 0.766 56.559 55.803 -0.018 0.000 0.830 425 Q CB -0.120 28.615 28.738 -0.004 0.000 0.896 425 Q HN 0.316 nan 8.270 nan 0.000 0.437 426 I N 1.397 121.947 120.570 -0.034 0.000 2.367 426 I HA -0.312 3.857 4.170 -0.000 0.000 0.256 426 I C 2.200 178.306 176.117 -0.018 0.000 1.132 426 I CA 0.952 62.233 61.300 -0.032 0.000 1.397 426 I CB -0.213 37.752 38.000 -0.059 0.000 1.074 426 I HN 0.399 nan 8.210 nan 0.000 0.435 427 L N -0.145 121.074 121.223 -0.007 0.000 2.341 427 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 427 L C 2.639 179.536 176.870 0.045 0.000 1.115 427 L CA 1.315 56.183 54.840 0.046 0.000 0.820 427 L CB -0.283 41.861 42.059 0.141 0.000 0.944 427 L HN 0.403 nan 8.230 nan 0.000 0.452 428 S N -1.062 114.652 115.700 0.024 0.000 2.398 428 S HA -0.092 4.378 4.470 -0.000 0.000 0.220 428 S C 1.573 176.174 174.600 0.002 0.000 1.046 428 S CA 0.170 58.374 58.200 0.006 0.000 0.953 428 S CB -0.201 63.003 63.200 0.007 0.000 0.856 428 S HN 0.325 nan 8.310 nan 0.000 0.506 429 E N 2.123 122.325 120.200 0.003 0.000 2.136 429 E HA -0.188 4.162 4.350 -0.000 0.000 0.202 429 E C 0.970 177.570 176.600 0.001 0.000 1.019 429 E CA 1.468 57.869 56.400 0.002 0.000 0.819 429 E CB -0.544 29.157 29.700 0.002 0.000 0.739 429 E HN 0.671 nan 8.360 nan 0.000 0.458 430 N N 1.139 119.840 118.700 0.001 0.000 2.375 430 N HA -0.011 4.729 4.740 -0.000 0.000 0.220 430 N C -0.844 174.665 175.510 -0.000 0.000 1.170 430 N CA -0.069 52.982 53.050 0.001 0.000 0.833 430 N CB 0.347 38.834 38.487 0.001 0.000 1.069 430 N HN -0.035 nan 8.380 nan 0.000 0.479 431 K N 0.999 121.397 120.400 -0.004 0.000 4.838 431 K HA -0.174 4.146 4.320 -0.000 0.000 0.300 431 K C -0.760 175.830 176.600 -0.017 0.000 0.861 431 K CA 0.951 57.230 56.287 -0.013 0.000 0.929 431 K CB -1.329 31.164 32.500 -0.011 0.000 1.772 431 K HN 0.466 nan 8.250 nan 0.000 0.422 432 I N 2.176 122.730 120.570 -0.026 0.000 2.649 432 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 432 I C 0.372 176.408 176.117 -0.135 0.000 1.222 432 I CA -0.969 60.305 61.300 -0.043 0.000 1.046 432 I CB 1.647 39.661 38.000 0.022 0.000 1.272 432 I HN 0.274 nan 8.210 nan 0.000 0.425 433 I N 1.639 122.069 120.570 -0.234 0.000 3.264 433 I HA 0.623 4.793 4.170 -0.000 0.000 0.315 433 I C -0.840 174.929 176.117 -0.580 0.000 1.154 433 I CA -1.205 59.846 61.300 -0.415 0.000 0.962 433 I CB 2.315 40.178 38.000 -0.229 0.000 1.265 433 I HN 0.593 nan 8.210 nan 0.000 0.463 434 M N 2.999 122.195 119.600 -0.673 0.000 2.120 434 M HA 0.529 5.009 4.480 -0.000 0.000 0.354 434 M C 0.489 176.665 176.300 -0.206 0.000 1.287 434 M CA -0.073 54.932 55.300 -0.492 0.000 1.103 434 M CB 1.350 33.712 32.600 -0.396 0.000 1.623 434 M HN 0.942 nan 8.290 nan 0.000 0.471 435 A N 4.743 127.500 122.820 -0.106 0.000 3.289 435 A HA 0.057 4.376 4.320 -0.000 0.000 0.157 435 A C 0.572 178.193 177.584 0.062 0.000 1.293 435 A CA 0.744 52.796 52.037 0.024 0.000 0.896 435 A CB -0.656 18.439 19.000 0.159 0.000 0.998 435 A HN 0.922 nan 8.150 nan 0.000 0.519 436 H N -1.090 117.951 119.070 -0.049 0.000 2.548 436 H HA 0.201 4.757 4.556 -0.000 0.000 0.366 436 H C 0.018 175.316 175.328 -0.050 0.000 1.433 436 H CA -0.110 55.913 56.048 -0.043 0.000 1.443 436 H CB -0.141 29.604 29.762 -0.028 0.000 1.594 436 H HN 0.459 nan 8.280 nan 0.000 0.608 437 N N -0.489 118.190 118.700 -0.035 0.000 2.567 437 N HA -0.089 4.651 4.740 -0.000 0.000 0.195 437 N C -0.280 175.100 175.510 -0.217 0.000 1.242 437 N CA 0.409 53.383 53.050 -0.127 0.000 0.884 437 N CB -0.135 38.317 38.487 -0.058 0.000 1.007 437 N HN 0.547 nan 8.380 nan 0.000 0.450 438 E N -0.696 119.216 120.200 -0.480 0.000 3.428 438 E HA 0.084 4.434 4.350 -0.000 0.000 0.191 438 E C -1.092 175.135 176.600 -0.621 0.000 0.980 438 E CA -0.180 55.943 56.400 -0.461 0.000 1.305 438 E CB 0.076 29.633 29.700 -0.238 0.000 1.105 438 E HN 0.036 nan 8.360 nan 0.000 0.455 439 D N 1.200 121.310 120.400 -0.484 0.000 2.662 439 D HA -0.040 4.600 4.640 -0.000 0.000 0.228 439 D C 0.481 176.763 176.300 -0.030 0.000 1.090 439 D CA 0.304 54.169 54.000 -0.225 0.000 1.118 439 D CB 0.076 40.825 40.800 -0.084 0.000 1.129 439 D HN 0.280 nan 8.370 nan 0.000 0.472 440 E N 0.313 120.488 120.200 -0.041 0.000 2.352 440 E HA -0.242 4.108 4.350 -0.000 0.000 0.203 440 E C 1.285 177.918 176.600 0.055 0.000 1.024 440 E CA 0.806 57.218 56.400 0.020 0.000 0.842 440 E CB 0.252 29.965 29.700 0.022 0.000 0.753 440 E HN 0.572 nan 8.360 nan 0.000 0.508 441 E N -0.548 119.696 120.200 0.074 0.000 2.190 441 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 441 E C 1.540 178.231 176.600 0.150 0.000 0.978 441 E CA -0.024 56.429 56.400 0.089 0.000 0.839 441 E CB 0.036 29.781 29.700 0.076 0.000 0.787 441 E HN 0.387 nan 8.360 nan 0.000 0.473 442 Y N 1.100 121.407 120.300 0.012 0.000 2.128 442 Y HA -0.316 4.234 4.550 -0.000 0.000 0.284 442 Y C 2.015 177.954 175.900 0.065 0.000 1.154 442 Y CA 0.861 58.981 58.100 0.032 0.000 1.149 442 Y CB 0.076 38.554 38.460 0.030 0.000 0.976 442 Y HN 0.034 nan 8.280 nan 0.000 0.505 443 L N 0.193 121.470 121.223 0.090 0.000 1.929 443 L HA -0.377 3.963 4.340 -0.000 0.000 0.229 443 L C 2.822 179.684 176.870 -0.014 0.000 1.086 443 L CA 1.617 56.467 54.840 0.017 0.000 0.798 443 L CB -1.062 41.036 42.059 0.065 0.000 0.898 443 L HN 0.360 nan 8.230 nan 0.000 0.436 444 A N -0.448 122.383 122.820 0.018 0.000 2.067 444 A HA -0.297 4.023 4.320 -0.000 0.000 0.224 444 A C 1.940 179.518 177.584 -0.010 0.000 1.172 444 A CA 2.388 54.430 52.037 0.008 0.000 0.662 444 A CB -0.799 18.213 19.000 0.022 0.000 0.814 444 A HN 0.635 nan 8.150 nan 0.000 0.468 445 N N -0.398 118.299 118.700 -0.006 0.000 2.124 445 N HA -0.031 4.709 4.740 -0.000 0.000 0.189 445 N C 1.813 177.265 175.510 -0.097 0.000 1.050 445 N CA 1.121 54.161 53.050 -0.016 0.000 0.848 445 N CB -0.731 37.794 38.487 0.063 0.000 1.027 445 N HN 0.472 nan 8.380 nan 0.000 0.435 446 L N 1.948 123.056 121.223 -0.191 0.000 2.034 446 L HA -0.253 4.087 4.340 -0.000 0.000 0.217 446 L C 2.374 179.105 176.870 -0.233 0.000 1.077 446 L CA 1.644 56.302 54.840 -0.302 0.000 0.769 446 L CB -0.198 41.590 42.059 -0.450 0.000 0.890 446 L HN 0.250 nan 8.230 nan 0.000 0.435 447 E N -0.511 119.597 120.200 -0.154 0.000 2.033 447 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 447 E C 1.968 178.493 176.600 -0.125 0.000 1.011 447 E CA 2.303 58.636 56.400 -0.111 0.000 0.815 447 E CB -0.288 29.389 29.700 -0.037 0.000 0.755 447 E HN 0.567 nan 8.360 nan 0.000 0.451 448 T N 1.643 116.142 114.554 -0.092 0.000 2.867 448 T HA -0.084 4.265 4.350 -0.000 0.000 0.268 448 T C 1.926 176.553 174.700 -0.121 0.000 1.057 448 T CA 0.623 62.675 62.100 -0.079 0.000 1.136 448 T CB 0.003 68.843 68.868 -0.047 0.000 0.874 448 T HN 0.055 nan 8.240 nan 0.000 0.466 449 I N 1.146 121.624 120.570 -0.154 0.000 2.315 449 I HA -0.035 4.135 4.170 -0.000 0.000 0.248 449 I C 2.275 178.230 176.117 -0.269 0.000 1.117 449 I CA 0.940 62.131 61.300 -0.182 0.000 1.404 449 I CB -1.311 36.581 38.000 -0.180 0.000 1.071 449 I HN 0.270 nan 8.210 nan 0.000 0.419 450 L N 0.042 121.042 121.223 -0.372 0.000 1.994 450 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 450 L C 2.838 179.409 176.870 -0.499 0.000 1.071 450 L CA 1.188 55.640 54.840 -0.648 0.000 0.745 450 L CB -0.589 40.842 42.059 -1.048 0.000 0.892 450 L HN 0.141 nan 8.230 nan 0.000 0.431 451 R N 0.352 120.698 120.500 -0.257 0.000 2.113 451 R HA -0.209 4.131 4.340 -0.000 0.000 0.244 451 R C 1.839 178.101 176.300 -0.063 0.000 1.142 451 R CA 1.822 57.899 56.100 -0.038 0.000 0.953 451 R CB -1.230 29.074 30.300 0.007 0.000 0.860 451 R HN 0.520 nan 8.270 nan 0.000 0.438 452 D N 0.170 120.500 120.400 -0.116 0.000 2.078 452 D HA -0.102 4.538 4.640 -0.000 0.000 0.193 452 D C 2.063 178.263 176.300 -0.167 0.000 0.990 452 D CA 1.356 55.290 54.000 -0.110 0.000 0.827 452 D CB -0.135 40.604 40.800 -0.102 0.000 0.975 452 D HN 0.004 nan 8.370 nan 0.000 0.451 453 V N 1.483 121.233 119.914 -0.274 0.000 2.380 453 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 453 V C 2.439 178.207 176.094 -0.544 0.000 1.063 453 V CA 1.828 63.848 62.300 -0.467 0.000 1.055 453 V CB -0.535 30.949 31.823 -0.565 0.000 0.657 453 V HN 0.118 nan 8.190 nan 0.000 0.455 454 K N 1.001 121.239 120.400 -0.270 0.000 2.025 454 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 454 K C 2.079 178.709 176.600 0.049 0.000 1.049 454 K CA 2.206 58.477 56.287 -0.026 0.000 0.933 454 K CB -0.698 31.917 32.500 0.192 0.000 0.714 454 K HN 0.564 nan 8.250 nan 0.000 0.438 455 T N -0.052 114.516 114.554 0.023 0.000 2.867 455 T HA -0.038 4.312 4.350 -0.000 0.000 0.268 455 T C 1.964 176.690 174.700 0.042 0.000 1.057 455 T CA 0.980 63.107 62.100 0.044 0.000 1.136 455 T CB -0.515 68.373 68.868 0.033 0.000 0.874 455 T HN 0.330 nan 8.240 nan 0.000 0.466 456 A N 1.801 124.630 122.820 0.015 0.000 1.845 456 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 456 A C 2.013 179.733 177.584 0.226 0.000 1.195 456 A CA 1.178 53.257 52.037 0.071 0.000 0.616 456 A CB -1.007 17.991 19.000 -0.003 0.000 0.832 456 A HN 0.370 nan 8.150 nan 0.000 0.443 457 F N 0.715 120.694 119.950 0.049 0.000 2.126 457 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 457 F C 1.754 177.561 175.800 0.012 0.000 1.096 457 F CA 0.939 58.972 58.000 0.054 0.000 1.255 457 F CB -1.001 38.033 39.000 0.057 0.000 0.997 457 F HN 0.230 nan 8.300 nan 0.000 0.479 458 N N 1.198 120.022 118.700 0.207 0.000 2.466 458 N HA -0.081 4.659 4.740 -0.000 0.000 0.211 458 N C 0.137 175.629 175.510 -0.030 0.000 1.256 458 N CA 0.121 53.217 53.050 0.076 0.000 0.840 458 N CB -0.444 38.092 38.487 0.082 0.000 1.079 458 N HN 0.433 nan 8.380 nan 0.000 0.466 459 E N 0.660 120.778 120.200 -0.136 0.000 2.290 459 E HA 0.285 4.635 4.350 -0.000 0.000 0.277 459 E C 0.027 176.335 176.600 -0.486 0.000 1.035 459 E CA -0.535 55.637 56.400 -0.380 0.000 0.873 459 E CB 0.808 30.069 29.700 -0.731 0.000 1.029 459 E HN 0.225 nan 8.360 nan 0.000 0.419 460 A N 3.433 126.084 122.820 -0.281 0.000 2.504 460 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 460 A C 0.871 178.307 177.584 -0.246 0.000 1.100 460 A CA 0.785 52.722 52.037 -0.166 0.000 0.786 460 A CB 0.572 19.557 19.000 -0.024 0.000 1.050 460 A HN 0.706 nan 8.150 nan 0.000 0.512 461 S N -2.122 113.527 115.700 -0.086 0.000 2.067 461 S HA 0.219 4.689 4.470 -0.000 0.000 0.249 461 S C -0.296 174.309 174.600 0.009 0.000 0.916 461 S CA 1.062 59.269 58.200 0.011 0.000 1.458 461 S CB -0.685 62.538 63.200 0.038 0.000 1.037 461 S HN 2.503 nan 8.310 nan 0.000 0.483 462 S N 0.813 116.485 115.700 -0.046 0.000 2.604 462 S HA 0.495 4.965 4.470 -0.000 0.000 0.296 462 S C -0.764 173.824 174.600 -0.021 0.000 1.097 462 S CA -0.932 57.254 58.200 -0.024 0.000 0.883 462 S CB 0.055 63.196 63.200 -0.097 0.000 1.081 462 S HN 0.352 nan 8.310 nan 0.000 0.448 463 I N 1.748 122.325 120.570 0.012 0.000 3.378 463 I HA 0.582 4.752 4.170 -0.000 0.000 0.284 463 I C 0.562 176.692 176.117 0.023 0.000 1.157 463 I CA -0.110 61.209 61.300 0.031 0.000 1.193 463 I CB 1.108 39.126 38.000 0.030 0.000 1.461 463 I HN 0.850 nan 8.210 nan 0.000 0.674 464 T N 2.328 116.906 114.554 0.040 0.000 3.289 464 T HA 0.320 4.670 4.350 -0.000 0.000 0.370 464 T C -0.947 173.787 174.700 0.057 0.000 1.546 464 T CA -0.635 61.487 62.100 0.037 0.000 1.144 464 T CB 0.899 69.755 68.868 -0.021 0.000 1.379 464 T HN 0.260 nan 8.240 nan 0.000 0.478 465 L N 3.984 125.259 121.223 0.087 0.000 2.314 465 L HA 0.418 4.758 4.340 -0.000 0.000 0.275 465 L C -0.395 176.551 176.870 0.126 0.000 1.068 465 L CA -0.884 54.017 54.840 0.102 0.000 0.894 465 L CB 0.095 42.212 42.059 0.097 0.000 1.275 465 L HN 0.665 nan 8.230 nan 0.000 0.432 466 Y N 4.002 124.254 120.300 -0.081 0.000 2.650 466 Y HA 0.378 4.928 4.550 -0.000 0.000 0.342 466 Y C 1.123 177.104 175.900 0.135 0.000 1.110 466 Y CA 1.210 59.208 58.100 -0.170 0.000 1.438 466 Y CB 0.082 38.391 38.460 -0.251 0.000 1.181 466 Y HN 0.774 nan 8.280 nan 0.000 0.526 467 G N 5.229 113.999 108.800 -0.049 0.000 2.498 467 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.245 467 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.245 467 G C 0.398 175.357 174.900 0.098 0.000 1.204 467 G CA 0.167 45.347 45.100 0.134 0.000 0.933 467 G HN 0.543 nan 8.290 nan 0.000 0.574 468 D N 1.747 122.204 120.400 0.094 0.000 2.074 468 D HA 0.155 4.794 4.640 -0.000 0.000 0.221 468 D C 1.395 177.721 176.300 0.043 0.000 0.972 468 D CA 1.939 55.965 54.000 0.043 0.000 0.901 468 D CB -0.341 40.481 40.800 0.038 0.000 1.047 468 D HN 0.716 nan 8.370 nan 0.000 0.453 469 E N 0.427 120.636 120.200 0.015 0.000 3.167 469 E HA 0.377 4.726 4.350 -0.000 0.000 0.212 469 E C -0.706 175.823 176.600 -0.118 0.000 1.143 469 E CA -0.306 56.096 56.400 0.004 0.000 1.002 469 E CB 0.559 30.282 29.700 0.039 0.000 1.315 469 E HN 0.069 nan 8.360 nan 0.000 0.422 470 I N 2.620 123.139 120.570 -0.084 0.000 2.418 470 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 470 I C -0.110 176.073 176.117 0.109 0.000 1.008 470 I CA -1.135 60.056 61.300 -0.182 0.000 1.104 470 I CB 1.403 39.380 38.000 -0.038 0.000 1.264 470 I HN 0.447 nan 8.210 nan 0.000 0.438 471 I N 6.828 127.564 120.570 0.277 0.000 2.379 471 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 471 I C -0.251 176.017 176.117 0.251 0.000 1.063 471 I CA -0.287 61.175 61.300 0.270 0.000 1.351 471 I CB 0.687 38.882 38.000 0.325 0.000 1.410 471 I HN 0.299 nan 8.210 nan 0.000 0.505 472 L N 8.238 129.562 121.223 0.168 0.000 2.356 472 L HA 0.561 4.901 4.340 -0.000 0.000 0.277 472 L C -0.661 176.281 176.870 0.120 0.000 0.996 472 L CA -0.405 54.506 54.840 0.118 0.000 0.822 472 L CB 1.775 43.835 42.059 0.003 0.000 1.256 472 L HN 0.283 nan 8.230 nan 0.000 0.413 473 V N 4.998 124.996 119.914 0.140 0.000 2.427 473 V HA 0.499 4.619 4.120 -0.000 0.000 0.286 473 V C -0.273 175.869 176.094 0.080 0.000 1.034 473 V CA -0.811 61.564 62.300 0.125 0.000 0.893 473 V CB 1.521 33.468 31.823 0.207 0.000 0.982 473 V HN 0.755 nan 8.190 nan 0.000 0.452 474 N N 2.725 121.434 118.700 0.015 0.000 2.479 474 N HA 0.455 5.195 4.740 -0.000 0.000 0.285 474 N C -0.576 174.845 175.510 -0.149 0.000 1.075 474 N CA -0.264 52.750 53.050 -0.061 0.000 0.967 474 N CB 1.589 39.988 38.487 -0.146 0.000 1.137 474 N HN 0.590 nan 8.380 nan 0.000 0.472 475 C N 0.897 120.069 119.300 -0.214 0.000 2.486 475 C HA 0.418 4.878 4.460 -0.000 0.000 0.348 475 C C 2.246 177.196 174.990 -0.067 0.000 1.203 475 C CA -0.808 58.120 59.018 -0.150 0.000 1.911 475 C CB 0.471 28.146 27.740 -0.109 0.000 2.340 475 C HN 0.755 nan 8.230 nan 0.000 0.511 476 F N 0.186 120.035 119.950 -0.168 0.000 2.027 476 F HA -0.205 4.322 4.527 -0.000 0.000 0.297 476 F C 1.760 177.463 175.800 -0.161 0.000 1.129 476 F CA 1.250 59.135 58.000 -0.192 0.000 1.195 476 F CB -0.235 38.727 39.000 -0.063 0.000 0.960 476 F HN 0.547 nan 8.300 nan 0.000 0.485 477 Q N 2.977 122.838 119.800 0.103 0.000 2.281 477 Q HA 0.118 4.458 4.340 -0.000 0.000 0.267 477 Q C -2.285 173.630 176.000 -0.142 0.000 1.053 477 Q CA -2.252 53.453 55.803 -0.164 0.000 0.905 477 Q CB 0.422 28.718 28.738 -0.737 0.000 1.195 477 Q HN -0.082 nan 8.270 nan 0.000 0.398 478 P HA -0.157 nan 4.420 nan 0.000 0.267 478 P C -0.838 176.119 177.300 -0.572 0.000 1.201 478 P CA 0.371 63.159 63.100 -0.520 0.000 0.775 478 P CB 0.272 31.303 31.700 -1.115 0.000 0.854 479 Y N -2.414 117.730 120.300 -0.258 0.000 4.841 479 Y HA -0.192 4.358 4.550 -0.000 0.000 0.242 479 Y C 0.295 176.121 175.900 -0.123 0.000 1.002 479 Y CA 0.225 58.150 58.100 -0.291 0.000 2.011 479 Y CB -2.785 35.476 38.460 -0.331 0.000 1.554 479 Y HN 0.445 nan 8.280 nan 0.000 0.618 480 N N 1.315 119.918 118.700 -0.162 0.000 2.354 480 N HA 0.449 5.189 4.740 -0.000 0.000 0.287 480 N C -0.485 174.751 175.510 -0.457 0.000 1.016 480 N CA -0.428 52.531 53.050 -0.151 0.000 0.871 480 N CB 1.665 40.090 38.487 -0.102 0.000 1.299 480 N HN 0.280 nan 8.380 nan 0.000 0.482 481 H N -0.258 118.842 119.070 0.049 0.000 2.960 481 H HA 0.469 5.025 4.556 -0.000 0.000 0.338 481 H C -0.839 174.494 175.328 0.008 0.000 1.261 481 H CA -0.578 55.486 56.048 0.027 0.000 1.136 481 H CB 2.168 31.949 29.762 0.033 0.000 1.875 481 H HN 0.343 nan 8.280 nan 0.000 0.550 482 S N 1.482 117.235 115.700 0.089 0.000 2.677 482 S HA 0.278 4.748 4.470 -0.000 0.000 0.283 482 S C -0.721 173.790 174.600 -0.148 0.000 1.159 482 S CA -0.669 57.480 58.200 -0.084 0.000 1.001 482 S CB 1.613 64.703 63.200 -0.185 0.000 1.032 482 S HN 0.417 nan 8.310 nan 0.000 0.487 483 L N 3.898 125.028 121.223 -0.155 0.000 2.295 483 L HA 0.609 4.949 4.340 -0.000 0.000 0.285 483 L C -1.674 175.063 176.870 -0.221 0.000 1.035 483 L CA -0.693 54.102 54.840 -0.076 0.000 0.806 483 L CB 0.552 42.626 42.059 0.025 0.000 1.214 483 L HN 0.651 nan 8.230 nan 0.000 0.426 484 Y N 5.076 125.441 120.300 0.109 0.000 2.454 484 Y HA 0.303 4.853 4.550 -0.000 0.000 0.345 484 Y C 0.188 176.125 175.900 0.062 0.000 0.970 484 Y CA -0.288 57.846 58.100 0.056 0.000 1.204 484 Y CB 0.871 39.358 38.460 0.044 0.000 1.122 484 Y HN 0.481 nan 8.280 nan 0.000 0.514 485 K N 3.989 124.436 120.400 0.078 0.000 2.143 485 K HA 0.389 4.709 4.320 -0.000 0.000 0.272 485 K C -0.788 175.667 176.600 -0.243 0.000 1.001 485 K CA -0.808 55.462 56.287 -0.028 0.000 0.915 485 K CB 0.850 33.345 32.500 -0.008 0.000 1.047 485 K HN 0.718 nan 8.250 nan 0.000 0.458 486 L N 5.101 126.005 121.223 -0.532 0.000 2.433 486 L HA 0.100 4.439 4.340 -0.000 0.000 0.275 486 L C -0.441 176.300 176.870 -0.215 0.000 1.128 486 L CA -0.312 54.264 54.840 -0.441 0.000 0.875 486 L CB 0.200 41.902 42.059 -0.596 0.000 1.171 486 L HN 0.664 nan 8.230 nan 0.000 0.463 487 N N 2.851 121.456 118.700 -0.158 0.000 2.407 487 N HA 0.017 4.756 4.740 -0.000 0.000 0.250 487 N C 0.242 175.695 175.510 -0.095 0.000 1.236 487 N CA 0.421 53.414 53.050 -0.095 0.000 0.879 487 N CB 0.659 39.116 38.487 -0.049 0.000 1.088 487 N HN 0.718 nan 8.380 nan 0.000 0.450 488 T N -1.685 112.816 114.554 -0.088 0.000 2.771 488 T HA 0.150 4.500 4.350 -0.000 0.000 0.290 488 T C 1.457 176.053 174.700 -0.174 0.000 1.005 488 T CA -0.298 61.738 62.100 -0.107 0.000 0.944 488 T CB 0.319 69.132 68.868 -0.091 0.000 1.147 488 T HN 0.408 nan 8.240 nan 0.000 0.534 489 T N 0.743 115.147 114.554 -0.250 0.000 2.622 489 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 489 T C 2.135 176.363 174.700 -0.786 0.000 1.047 489 T CA 1.731 63.528 62.100 -0.504 0.000 1.159 489 T CB -0.756 67.798 68.868 -0.523 0.000 0.863 489 T HN 0.508 nan 8.240 nan 0.000 0.422 490 V N 1.993 121.584 119.914 -0.538 0.000 2.252 490 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 490 V C 2.437 178.503 176.094 -0.047 0.000 1.056 490 V CA 1.905 64.035 62.300 -0.283 0.000 1.022 490 V CB -0.915 30.928 31.823 0.034 0.000 0.641 490 V HN 0.560 nan 8.190 nan 0.000 0.445 491 E N 0.464 120.654 120.200 -0.015 0.000 2.284 491 E HA -0.258 4.092 4.350 -0.000 0.000 0.200 491 E C 1.978 178.776 176.600 0.330 0.000 1.008 491 E CA 1.390 57.890 56.400 0.167 0.000 0.829 491 E CB -0.327 29.450 29.700 0.129 0.000 0.744 491 E HN 0.659 nan 8.360 nan 0.000 0.491 492 N N -0.331 118.433 118.700 0.107 0.000 2.290 492 N HA -0.086 4.654 4.740 -0.000 0.000 0.179 492 N C 1.499 177.229 175.510 0.367 0.000 1.016 492 N CA 0.688 53.841 53.050 0.172 0.000 0.871 492 N CB -0.026 38.458 38.487 -0.004 0.000 0.987 492 N HN 0.285 nan 8.380 nan 0.000 0.431 493 W N 1.342 122.826 121.300 0.305 0.000 2.379 493 W HA -0.045 4.615 4.660 -0.000 0.000 0.307 493 W C 2.148 178.824 176.519 0.262 0.000 1.200 493 W CA -0.068 57.521 57.345 0.407 0.000 1.297 493 W CB -1.525 28.174 29.460 0.398 0.000 1.140 493 W HN -0.044 nan 8.180 nan 0.000 0.507 494 F N 0.451 120.574 119.950 0.288 0.000 2.011 494 F HA -0.310 4.217 4.527 -0.000 0.000 0.296 494 F C 2.250 178.060 175.800 0.017 0.000 1.144 494 F CA 1.955 59.977 58.000 0.036 0.000 1.185 494 F CB -1.322 37.590 39.000 -0.146 0.000 0.961 494 F HN -0.217 nan 8.300 nan 0.000 0.485 495 Y N 0.285 120.701 120.300 0.195 0.000 2.651 495 Y HA -0.091 4.459 4.550 -0.000 0.000 0.296 495 Y C 1.255 177.187 175.900 0.054 0.000 1.150 495 Y CA 1.175 59.310 58.100 0.059 0.000 1.348 495 Y CB -0.610 37.958 38.460 0.180 0.000 0.983 495 Y HN 0.226 nan 8.280 nan 0.000 0.555 496 N N -1.386 117.470 118.700 0.259 0.000 2.305 496 N HA 0.079 4.819 4.740 -0.000 0.000 0.248 496 N C 1.049 176.736 175.510 0.296 0.000 1.290 496 N CA 0.110 53.309 53.050 0.249 0.000 0.873 496 N CB 0.332 38.972 38.487 0.255 0.000 1.261 496 N HN 0.204 nan 8.380 nan 0.000 0.504 497 M N 0.770 120.455 119.600 0.142 0.000 2.443 497 M HA -0.143 4.336 4.480 -0.000 0.000 0.267 497 M C 1.760 178.071 176.300 0.019 0.000 1.069 497 M CA 1.768 57.058 55.300 -0.016 0.000 1.085 497 M CB -1.335 31.001 32.600 -0.439 0.000 1.243 497 M HN 0.259 nan 8.290 nan 0.000 0.464 498 H N -1.103 118.017 119.070 0.084 0.000 2.489 498 H HA -0.028 4.528 4.556 -0.000 0.000 0.293 498 H C 2.174 177.565 175.328 0.105 0.000 1.066 498 H CA 1.426 57.522 56.048 0.079 0.000 1.305 498 H CB -0.506 29.278 29.762 0.036 0.000 1.386 498 H HN 0.365 nan 8.280 nan 0.000 0.551 499 S N -0.301 115.522 115.700 0.205 0.000 2.603 499 S HA -0.028 4.442 4.470 -0.000 0.000 0.229 499 S C 0.648 175.324 174.600 0.127 0.000 0.972 499 S CA 0.210 58.503 58.200 0.154 0.000 0.935 499 S CB 0.221 63.505 63.200 0.139 0.000 0.769 499 S HN 0.523 nan 8.310 nan 0.000 0.536 500 E N -1.557 118.735 120.200 0.154 0.000 2.449 500 E HA 0.414 4.764 4.350 -0.000 0.000 0.278 500 E C -1.519 175.139 176.600 0.097 0.000 1.059 500 E CA -0.634 55.812 56.400 0.077 0.000 0.854 500 E CB 1.518 31.199 29.700 -0.032 0.000 1.465 500 E HN 0.162 nan 8.360 nan 0.000 0.462 501 T N 0.693 115.253 114.554 0.009 0.000 2.883 501 T HA 0.425 4.775 4.350 -0.000 0.000 0.301 501 T C -1.540 173.122 174.700 -0.063 0.000 1.158 501 T CA -0.519 61.603 62.100 0.036 0.000 1.007 501 T CB 1.254 70.152 68.868 0.050 0.000 1.186 501 T HN 0.663 nan 8.240 nan 0.000 0.499 502 D N -0.443 119.942 120.400 -0.025 0.000 9.948 502 D HA 0.170 4.810 4.640 -0.000 0.000 0.354 502 D C 0.220 176.418 176.300 -0.171 0.000 2.964 502 D CA 1.737 55.706 54.000 -0.051 0.000 2.324 502 D CB -0.987 39.788 40.800 -0.042 0.000 1.175 502 D HN 1.408 nan 8.370 nan 0.000 1.063 503 G N -1.160 107.582 108.800 -0.096 0.000 2.570 503 G HA2 0.426 4.386 3.960 -0.000 0.000 0.686 503 G HA3 0.426 4.386 3.960 -0.000 0.000 0.686 503 G C 0.144 175.053 174.900 0.015 0.000 1.257 503 G CA 0.669 45.713 45.100 -0.093 0.000 0.846 503 G HN 1.486 nan 8.290 nan 0.000 0.627 504 S N -0.002 115.749 115.700 0.085 0.000 2.586 504 S HA 0.148 4.618 4.470 -0.000 0.000 0.256 504 S C 1.334 175.981 174.600 0.078 0.000 1.392 504 S CA 0.994 59.252 58.200 0.095 0.000 0.983 504 S CB 0.774 64.066 63.200 0.153 0.000 0.897 504 S HN 0.773 nan 8.310 nan 0.000 0.566 505 E N -0.001 120.255 120.200 0.092 0.000 2.023 505 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 505 E C 1.980 178.624 176.600 0.073 0.000 1.003 505 E CA 1.117 57.607 56.400 0.150 0.000 0.809 505 E CB -0.606 29.185 29.700 0.151 0.000 0.755 505 E HN 0.613 nan 8.360 nan 0.000 0.449 506 L N 0.954 122.153 121.223 -0.041 0.000 2.030 506 L HA -0.255 4.085 4.340 -0.000 0.000 0.222 506 L C 2.322 178.967 176.870 -0.375 0.000 1.082 506 L CA 1.864 56.603 54.840 -0.169 0.000 0.785 506 L CB -1.010 40.965 42.059 -0.140 0.000 0.895 506 L HN 0.128 nan 8.230 nan 0.000 0.439 507 F N 0.424 119.886 119.950 -0.815 0.000 2.027 507 F HA -0.356 4.171 4.527 -0.000 0.000 0.297 507 F C 2.391 177.934 175.800 -0.428 0.000 1.129 507 F CA 2.548 59.969 58.000 -0.964 0.000 1.195 507 F CB -0.455 37.996 39.000 -0.915 0.000 0.960 507 F HN 0.088 nan 8.300 nan 0.000 0.485 508 K N -0.904 119.460 120.400 -0.060 0.000 2.034 508 K HA -0.312 4.008 4.320 -0.000 0.000 0.214 508 K C 2.001 178.428 176.600 -0.289 0.000 1.051 508 K CA 2.234 58.520 56.287 -0.003 0.000 0.931 508 K CB -1.071 31.670 32.500 0.402 0.000 0.715 508 K HN 0.462 nan 8.250 nan 0.000 0.446 509 Y N 1.968 121.851 120.300 -0.695 0.000 2.040 509 Y HA -0.267 4.283 4.550 -0.000 0.000 0.275 509 Y C 1.872 177.410 175.900 -0.603 0.000 1.171 509 Y CA 1.628 59.081 58.100 -1.079 0.000 1.123 509 Y CB -0.543 37.389 38.460 -0.880 0.000 0.963 509 Y HN -0.033 nan 8.280 nan 0.000 0.493 510 L N -0.037 120.868 121.223 -0.529 0.000 2.187 510 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 510 L C 2.752 179.315 176.870 -0.512 0.000 1.100 510 L CA 1.788 56.325 54.840 -0.505 0.000 0.765 510 L CB -0.528 41.318 42.059 -0.354 0.000 0.904 510 L HN 0.241 nan 8.230 nan 0.000 0.437 511 R N -0.071 120.078 120.500 -0.585 0.000 2.100 511 R HA -0.105 4.235 4.340 -0.000 0.000 0.220 511 R C 2.453 178.583 176.300 -0.284 0.000 1.091 511 R CA 1.503 57.316 56.100 -0.479 0.000 0.986 511 R CB -0.098 29.859 30.300 -0.571 0.000 0.888 511 R HN 0.425 nan 8.270 nan 0.000 0.444 512 T N -0.764 113.630 114.554 -0.266 0.000 2.962 512 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 512 T C 1.734 176.341 174.700 -0.156 0.000 1.088 512 T CA 0.697 62.716 62.100 -0.135 0.000 1.127 512 T CB -0.077 68.758 68.868 -0.054 0.000 0.883 512 T HN 0.042 nan 8.240 nan 0.000 0.493 513 L N 2.020 123.061 121.223 -0.304 0.000 2.049 513 L HA 0.156 4.496 4.340 -0.000 0.000 0.203 513 L C 2.685 179.509 176.870 -0.077 0.000 1.074 513 L CA 1.543 56.242 54.840 -0.235 0.000 0.749 513 L CB -1.140 40.669 42.059 -0.416 0.000 0.907 513 L HN 0.417 nan 8.230 nan 0.000 0.439 514 N N -0.316 118.299 118.700 -0.141 0.000 2.104 514 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 514 N C 1.734 177.237 175.510 -0.013 0.000 1.024 514 N CA 1.165 54.162 53.050 -0.089 0.000 0.853 514 N CB -0.163 38.219 38.487 -0.175 0.000 1.008 514 N HN 0.396 nan 8.380 nan 0.000 0.424 515 G N -0.873 107.922 108.800 -0.007 0.000 2.615 515 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.213 515 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.213 515 G C 0.873 175.856 174.900 0.138 0.000 1.135 515 G CA 0.316 45.458 45.100 0.070 0.000 0.772 515 G HN 0.433 nan 8.290 nan 0.000 0.542 516 F N 0.420 120.350 119.950 -0.033 0.000 2.522 516 F HA 0.494 5.021 4.527 -0.000 0.000 0.275 516 F C 2.509 178.291 175.800 -0.031 0.000 0.890 516 F CA 0.671 58.654 58.000 -0.029 0.000 1.157 516 F CB -0.435 38.539 39.000 -0.044 0.000 1.117 516 F HN 0.095 nan 8.300 nan 0.000 0.787 517 A N 0.851 123.665 122.820 -0.009 0.000 1.940 517 A HA -0.318 4.002 4.320 -0.000 0.000 0.221 517 A C 2.303 179.799 177.584 -0.147 0.000 1.190 517 A CA 3.130 55.106 52.037 -0.101 0.000 0.647 517 A CB -1.710 17.296 19.000 0.009 0.000 0.821 517 A HN 0.637 nan 8.150 nan 0.000 0.457 518 S N -0.389 115.264 115.700 -0.079 0.000 2.407 518 S HA -0.249 4.220 4.470 -0.000 0.000 0.235 518 S C 1.762 176.309 174.600 -0.089 0.000 1.036 518 S CA 2.218 60.390 58.200 -0.047 0.000 1.013 518 S CB -1.634 61.572 63.200 0.009 0.000 0.820 518 S HN 1.081 nan 8.310 nan 0.000 0.476 519 T N -0.049 114.403 114.554 -0.171 0.000 3.148 519 T HA 0.374 4.724 4.350 -0.000 0.000 0.253 519 T C 0.495 175.085 174.700 -0.184 0.000 1.134 519 T CA -0.392 61.605 62.100 -0.172 0.000 1.051 519 T CB -0.666 68.086 68.868 -0.193 0.000 0.959 519 T HN 0.400 nan 8.240 nan 0.000 0.525 520 L N 1.907 123.011 121.223 -0.198 0.000 2.387 520 L HA 0.599 4.939 4.340 -0.000 0.000 0.266 520 L C 0.780 177.605 176.870 -0.076 0.000 1.059 520 L CA -1.232 53.527 54.840 -0.135 0.000 0.801 520 L CB 1.319 43.293 42.059 -0.142 0.000 1.223 520 L HN 0.205 nan 8.230 nan 0.000 0.456 521 S N -0.606 115.064 115.700 -0.051 0.000 2.652 521 S HA 0.226 4.696 4.470 -0.000 0.000 0.270 521 S C 0.567 175.154 174.600 -0.022 0.000 1.243 521 S CA -0.728 57.453 58.200 -0.032 0.000 0.999 521 S CB 1.206 64.390 63.200 -0.027 0.000 0.973 521 S HN 0.579 nan 8.310 nan 0.000 0.544 522 N N 1.480 120.177 118.700 -0.005 0.000 2.142 522 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 522 N C 0.995 176.509 175.510 0.007 0.000 1.023 522 N CA 1.672 54.728 53.050 0.010 0.000 0.852 522 N CB -0.918 37.585 38.487 0.027 0.000 0.998 522 N HN 0.748 nan 8.380 nan 0.000 0.424 523 D N -0.028 120.372 120.400 -0.000 0.000 2.172 523 D HA -0.119 4.520 4.640 -0.000 0.000 0.196 523 D C 1.865 178.154 176.300 -0.020 0.000 0.999 523 D CA 0.731 54.728 54.000 -0.006 0.000 0.856 523 D CB -0.144 40.648 40.800 -0.013 0.000 0.934 523 D HN 0.046 nan 8.370 nan 0.000 0.453 524 V N 0.369 120.266 119.914 -0.028 0.000 2.323 524 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 524 V C 2.380 178.442 176.094 -0.053 0.000 1.041 524 V CA 1.130 63.403 62.300 -0.045 0.000 1.025 524 V CB -0.454 31.343 31.823 -0.042 0.000 0.656 524 V HN 0.249 nan 8.190 nan 0.000 0.451 525 L N -0.302 120.901 121.223 -0.034 0.000 1.976 525 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 525 L C 2.845 179.705 176.870 -0.016 0.000 1.071 525 L CA 1.904 56.725 54.840 -0.031 0.000 0.746 525 L CB -0.816 41.241 42.059 -0.002 0.000 0.890 525 L HN 0.264 nan 8.230 nan 0.000 0.432 526 R N 0.538 121.056 120.500 0.030 0.000 2.136 526 R HA -0.248 4.092 4.340 -0.000 0.000 0.242 526 R C 2.468 178.767 176.300 -0.002 0.000 1.131 526 R CA 2.115 58.253 56.100 0.064 0.000 0.937 526 R CB -1.225 29.114 30.300 0.064 0.000 0.863 526 R HN 0.530 nan 8.270 nan 0.000 0.435 527 S N 0.737 116.412 115.700 -0.041 0.000 2.392 527 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 527 S C 2.008 176.511 174.600 -0.162 0.000 1.041 527 S CA 1.476 59.627 58.200 -0.082 0.000 1.026 527 S CB -0.476 62.677 63.200 -0.080 0.000 0.845 527 S HN 0.318 nan 8.310 nan 0.000 0.465 528 I N 1.152 121.583 120.570 -0.232 0.000 2.206 528 I HA -0.089 4.080 4.170 -0.000 0.000 0.239 528 I C 2.964 178.702 176.117 -0.632 0.000 1.078 528 I CA 1.085 62.087 61.300 -0.496 0.000 1.367 528 I CB -0.800 36.860 38.000 -0.566 0.000 1.078 528 I HN 0.435 nan 8.210 nan 0.000 0.413 529 S N 1.033 116.543 115.700 -0.317 0.000 2.389 529 S HA -0.344 4.126 4.470 -0.000 0.000 0.231 529 S C 2.095 176.657 174.600 -0.063 0.000 1.052 529 S CA 2.296 60.525 58.200 0.049 0.000 1.053 529 S CB -0.258 63.156 63.200 0.357 0.000 0.886 529 S HN 0.207 nan 8.310 nan 0.000 0.456 530 K N 1.389 121.720 120.400 -0.115 0.000 2.001 530 K HA -0.093 4.227 4.320 -0.000 0.000 0.214 530 K C 2.180 178.699 176.600 -0.136 0.000 1.050 530 K CA 1.780 57.996 56.287 -0.119 0.000 0.934 530 K CB -0.439 32.011 32.500 -0.084 0.000 0.718 530 K HN 0.184 nan 8.250 nan 0.000 0.443 531 K N -0.182 120.097 120.400 -0.202 0.000 2.032 531 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 531 K C 2.188 178.749 176.600 -0.065 0.000 1.048 531 K CA 1.402 57.591 56.287 -0.163 0.000 0.927 531 K CB -0.606 31.749 32.500 -0.241 0.000 0.712 531 K HN 0.155 nan 8.250 nan 0.000 0.441 532 F N 1.526 121.328 119.950 -0.246 0.000 2.120 532 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 532 F C 2.374 178.026 175.800 -0.247 0.000 1.095 532 F CA 0.635 58.420 58.000 -0.358 0.000 1.249 532 F CB -1.175 37.403 39.000 -0.703 0.000 0.995 532 F HN -0.044 nan 8.300 nan 0.000 0.480 533 L N -0.345 120.892 121.223 0.022 0.000 2.079 533 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 533 L C 2.145 179.064 176.870 0.082 0.000 1.081 533 L CA 1.490 56.388 54.840 0.096 0.000 0.752 533 L CB -0.641 41.388 42.059 -0.051 0.000 0.896 533 L HN 0.134 nan 8.230 nan 0.000 0.433 534 D N 0.219 120.634 120.400 0.026 0.000 2.097 534 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 534 D C 2.214 178.518 176.300 0.008 0.000 0.984 534 D CA 1.091 55.100 54.000 0.016 0.000 0.826 534 D CB -0.113 40.689 40.800 0.003 0.000 0.973 534 D HN 0.322 nan 8.370 nan 0.000 0.460 535 I N 0.895 121.477 120.570 0.019 0.000 2.462 535 I HA -0.270 3.900 4.170 -0.000 0.000 0.259 535 I C 2.104 178.211 176.117 -0.018 0.000 1.156 535 I CA 0.903 62.217 61.300 0.023 0.000 1.417 535 I CB -0.068 37.960 38.000 0.047 0.000 1.088 535 I HN 0.039 nan 8.210 nan 0.000 0.442 536 I N -0.591 119.942 120.570 -0.061 0.000 2.947 536 I HA -0.137 4.033 4.170 -0.000 0.000 0.263 536 I C 2.573 178.581 176.117 -0.182 0.000 1.130 536 I CA 1.127 62.331 61.300 -0.161 0.000 1.448 536 I CB -0.381 37.436 38.000 -0.304 0.000 1.222 536 I HN 0.222 nan 8.210 nan 0.000 0.453 537 T N -1.226 113.249 114.554 -0.132 0.000 2.881 537 T HA 0.004 4.354 4.350 -0.000 0.000 0.270 537 T C 1.663 176.343 174.700 -0.033 0.000 1.068 537 T CA 1.225 63.284 62.100 -0.069 0.000 1.131 537 T CB -0.102 68.784 68.868 0.030 0.000 0.871 537 T HN 0.565 nan 8.240 nan 0.000 0.479 538 G N 0.903 109.688 108.800 -0.024 0.000 2.238 538 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 538 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 538 G C 0.682 175.586 174.900 0.006 0.000 0.996 538 G CA 0.635 45.730 45.100 -0.008 0.000 0.632 538 G HN 0.517 nan 8.290 nan 0.000 0.503 539 E N 0.143 120.349 120.200 0.010 0.000 2.233 539 E HA -0.040 4.309 4.350 -0.000 0.000 0.199 539 E C 1.310 177.919 176.600 0.013 0.000 1.004 539 E CA 0.991 57.398 56.400 0.013 0.000 0.819 539 E CB -0.159 29.549 29.700 0.013 0.000 0.738 539 E HN 0.572 nan 8.360 nan 0.000 0.478 540 L N 1.536 122.769 121.223 0.016 0.000 2.417 540 L HA 0.305 4.645 4.340 -0.000 0.000 0.258 540 L C -2.231 174.656 176.870 0.029 0.000 1.088 540 L CA -2.304 52.551 54.840 0.025 0.000 0.975 540 L CB 0.692 42.770 42.059 0.033 0.000 1.341 540 L HN -0.078 nan 8.230 nan 0.000 0.431 541 P HA -0.225 nan 4.420 nan 0.000 0.262 541 P C 0.310 177.626 177.300 0.025 0.000 1.126 541 P CA 0.685 63.798 63.100 0.022 0.000 0.755 541 P CB 0.530 32.243 31.700 0.021 0.000 0.716 542 D N 3.870 124.281 120.400 0.018 0.000 2.126 542 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 542 D C 1.713 178.026 176.300 0.022 0.000 1.001 542 D CA 2.483 56.494 54.000 0.018 0.000 0.841 542 D CB -0.436 40.369 40.800 0.008 0.000 0.949 542 D HN 0.403 nan 8.370 nan 0.000 0.446 543 S N 0.259 115.970 115.700 0.018 0.000 2.433 543 S HA -0.373 4.097 4.470 -0.000 0.000 0.276 543 S C 1.312 175.926 174.600 0.023 0.000 1.122 543 S CA 1.571 59.782 58.200 0.018 0.000 1.277 543 S CB -1.348 61.862 63.200 0.016 0.000 1.198 543 S HN 0.478 nan 8.310 nan 0.000 0.440 544 M N 2.743 122.362 119.600 0.032 0.000 2.189 544 M HA 0.004 4.483 4.480 -0.000 0.000 0.319 544 M C 0.783 177.109 176.300 0.043 0.000 0.991 544 M CA 0.741 56.066 55.300 0.043 0.000 1.000 544 M CB -0.403 32.234 32.600 0.060 0.000 1.542 544 M HN 0.646 nan 8.290 nan 0.000 0.442 545 T N -1.405 113.173 114.554 0.041 0.000 2.897 545 T HA 0.156 4.506 4.350 -0.000 0.000 0.294 545 T C 0.541 175.266 174.700 0.042 0.000 1.004 545 T CA -0.953 61.163 62.100 0.026 0.000 1.106 545 T CB 0.759 69.632 68.868 0.009 0.000 0.949 545 T HN 0.641 nan 8.240 nan 0.000 0.520 546 T N 3.080 117.640 114.554 0.010 0.000 4.210 546 T HA 0.274 4.624 4.350 -0.000 0.000 0.229 546 T C 0.782 175.365 174.700 -0.195 0.000 0.813 546 T CA -0.092 62.000 62.100 -0.013 0.000 0.888 546 T CB -0.957 67.883 68.868 -0.046 0.000 1.327 546 T HN 0.629 nan 8.240 nan 0.000 0.739 547 V N -0.839 119.050 119.914 -0.043 0.000 3.289 547 V HA 0.139 4.259 4.120 -0.000 0.000 0.262 547 V C 1.641 177.780 176.094 0.076 0.000 1.707 547 V CA -0.243 62.026 62.300 -0.052 0.000 1.024 547 V CB 0.416 32.209 31.823 -0.051 0.000 0.871 547 V HN 0.375 nan 8.190 nan 0.000 0.397 548 E N 1.081 121.347 120.200 0.111 0.000 2.132 548 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 548 E C 1.781 178.489 176.600 0.179 0.000 0.951 548 E CA 0.576 57.046 56.400 0.118 0.000 0.843 548 E CB 0.117 29.865 29.700 0.080 0.000 0.807 548 E HN 0.515 nan 8.360 nan 0.000 0.467 549 K N 0.815 121.350 120.400 0.224 0.000 2.001 549 K HA -0.169 4.151 4.320 -0.000 0.000 0.214 549 K C 1.781 178.551 176.600 0.284 0.000 1.050 549 K CA 1.572 58.000 56.287 0.235 0.000 0.934 549 K CB -0.408 32.262 32.500 0.282 0.000 0.718 549 K HN 0.006 nan 8.250 nan 0.000 0.443 550 F N 1.540 121.561 119.950 0.119 0.000 2.411 550 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 550 F C 2.171 178.061 175.800 0.149 0.000 1.077 550 F CA 1.192 59.285 58.000 0.156 0.000 1.439 550 F CB -0.626 38.462 39.000 0.147 0.000 1.085 550 F HN 0.090 nan 8.300 nan 0.000 0.564 551 T N -2.022 112.697 114.554 0.276 0.000 3.034 551 T HA -0.085 4.265 4.350 -0.000 0.000 0.248 551 T C 1.815 176.656 174.700 0.236 0.000 1.040 551 T CA 0.657 62.880 62.100 0.205 0.000 1.107 551 T CB -0.090 68.840 68.868 0.104 0.000 0.932 551 T HN 0.280 nan 8.240 nan 0.000 0.474 552 D N 2.416 122.920 120.400 0.173 0.000 2.092 552 D HA -0.113 4.526 4.640 -0.000 0.000 0.193 552 D C 1.384 177.752 176.300 0.114 0.000 0.994 552 D CA 0.964 55.039 54.000 0.124 0.000 0.828 552 D CB -0.306 40.548 40.800 0.090 0.000 0.963 552 D HN 0.341 nan 8.370 nan 0.000 0.450 553 I N 0.361 120.990 120.570 0.098 0.000 3.443 553 I HA -0.075 4.095 4.170 -0.000 0.000 0.312 553 I C 0.898 177.087 176.117 0.119 0.000 1.155 553 I CA 0.091 61.408 61.300 0.029 0.000 1.210 553 I CB -0.515 37.451 38.000 -0.058 0.000 0.999 553 I HN 0.057 nan 8.210 nan 0.000 0.537 554 F N 0.186 120.143 119.950 0.012 0.000 2.557 554 F HA 0.143 4.670 4.527 -0.000 0.000 0.300 554 F C 1.905 177.724 175.800 0.032 0.000 0.867 554 F CA 0.107 58.130 58.000 0.039 0.000 1.085 554 F CB 0.239 39.279 39.000 0.066 0.000 0.907 554 F HN -0.247 nan 8.300 nan 0.000 0.700 555 K N 0.757 121.224 120.400 0.111 0.000 2.076 555 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 555 K C 1.240 177.790 176.600 -0.083 0.000 1.051 555 K CA 1.206 57.493 56.287 0.001 0.000 0.949 555 K CB -0.660 31.898 32.500 0.096 0.000 0.726 555 K HN 0.246 nan 8.250 nan 0.000 0.443 556 N N -0.023 118.652 118.700 -0.041 0.000 2.396 556 N HA -0.074 4.666 4.740 -0.000 0.000 0.180 556 N C 1.358 176.812 175.510 -0.094 0.000 1.028 556 N CA 0.826 53.842 53.050 -0.057 0.000 0.893 556 N CB 0.018 38.485 38.487 -0.033 0.000 0.967 556 N HN 0.157 nan 8.380 nan 0.000 0.440 557 C N -2.026 117.200 119.300 -0.123 0.000 3.480 557 C HA 0.413 4.873 4.460 -0.000 0.000 0.480 557 C C 1.691 176.596 174.990 -0.141 0.000 1.410 557 C CA -0.359 58.581 59.018 -0.130 0.000 2.172 557 C CB -0.070 27.585 27.740 -0.141 0.000 3.162 557 C HN 0.246 nan 8.230 nan 0.000 0.635 558 L N 0.405 121.494 121.223 -0.223 0.000 2.920 558 L HA 0.265 4.605 4.340 -0.000 0.000 0.257 558 L C 0.597 177.231 176.870 -0.392 0.000 1.150 558 L CA 0.433 55.172 54.840 -0.168 0.000 0.959 558 L CB 0.388 42.453 42.059 0.010 0.000 1.321 558 L HN 0.253 nan 8.230 nan 0.000 0.555 559 E N 1.679 121.471 120.200 -0.680 0.000 2.217 559 E HA 0.008 4.358 4.350 -0.000 0.000 0.279 559 E C -0.194 176.154 176.600 -0.420 0.000 1.068 559 E CA 0.047 56.053 56.400 -0.657 0.000 0.882 559 E CB 0.169 29.553 29.700 -0.526 0.000 1.039 559 E HN 0.197 nan 8.360 nan 0.000 0.418 560 N N 3.916 122.313 118.700 -0.505 0.000 2.818 560 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 560 N C -0.383 174.922 175.510 -0.342 0.000 1.108 560 N CA 0.517 53.331 53.050 -0.393 0.000 0.745 560 N CB -0.740 37.606 38.487 -0.234 0.000 1.104 560 N HN 0.611 nan 8.380 nan 0.000 0.557 561 Q N -0.749 118.804 119.800 -0.411 0.000 2.149 561 Q HA 0.276 4.616 4.340 -0.000 0.000 0.221 561 Q C -0.032 175.928 176.000 -0.066 0.000 0.807 561 Q CA 0.260 55.952 55.803 -0.185 0.000 1.000 561 Q CB 0.441 29.126 28.738 -0.089 0.000 1.157 561 Q HN 0.524 nan 8.270 nan 0.000 0.487 562 F N -2.373 117.532 119.950 -0.074 0.000 2.678 562 F HA 0.519 5.046 4.527 -0.000 0.000 0.308 562 F C -0.622 175.172 175.800 -0.010 0.000 1.118 562 F CA -1.404 56.554 58.000 -0.069 0.000 0.959 562 F CB 0.828 39.789 39.000 -0.065 0.000 1.305 562 F HN -0.309 nan 8.300 nan 0.000 0.443 563 E N 2.125 122.478 120.200 0.256 0.000 2.257 563 E HA 0.142 4.492 4.350 -0.000 0.000 0.278 563 E C 0.790 177.634 176.600 0.407 0.000 1.049 563 E CA -0.207 56.312 56.400 0.199 0.000 0.876 563 E CB 1.404 31.180 29.700 0.126 0.000 1.035 563 E HN 0.734 nan 8.360 nan 0.000 0.419 564 I N 3.962 124.703 120.570 0.285 0.000 2.248 564 I HA -0.342 3.828 4.170 -0.000 0.000 0.248 564 I C 2.482 178.771 176.117 0.288 0.000 1.107 564 I CA 1.830 63.338 61.300 0.347 0.000 1.373 564 I CB -0.515 37.589 38.000 0.173 0.000 1.055 564 I HN 0.656 nan 8.210 nan 0.000 0.418 565 T N 0.497 115.176 114.554 0.208 0.000 2.635 565 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 565 T C 1.819 176.642 174.700 0.204 0.000 1.040 565 T CA 2.257 64.459 62.100 0.170 0.000 1.156 565 T CB -0.411 68.532 68.868 0.125 0.000 0.863 565 T HN 0.463 nan 8.240 nan 0.000 0.430 566 N N 1.257 120.109 118.700 0.254 0.000 2.364 566 N HA -0.042 4.698 4.740 -0.000 0.000 0.183 566 N C 1.770 177.486 175.510 0.344 0.000 1.022 566 N CA 0.733 53.965 53.050 0.303 0.000 0.883 566 N CB -0.584 38.102 38.487 0.333 0.000 0.965 566 N HN 0.366 nan 8.380 nan 0.000 0.438 567 L N 1.544 122.962 121.223 0.326 0.000 2.141 567 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 567 L C 2.217 179.199 176.870 0.188 0.000 1.094 567 L CA 1.660 56.585 54.840 0.143 0.000 0.763 567 L CB -0.410 41.755 42.059 0.176 0.000 0.908 567 L HN -0.051 nan 8.230 nan 0.000 0.437 568 K N -0.097 120.425 120.400 0.204 0.000 2.031 568 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 568 K C 1.908 178.632 176.600 0.207 0.000 1.049 568 K CA 1.643 58.059 56.287 0.215 0.000 0.939 568 K CB -0.308 32.289 32.500 0.162 0.000 0.717 568 K HN 0.398 nan 8.250 nan 0.000 0.438 569 I N 0.804 121.473 120.570 0.167 0.000 2.069 569 I HA -0.315 3.854 4.170 -0.000 0.000 0.237 569 I C 2.276 178.461 176.117 0.114 0.000 1.053 569 I CA 1.281 62.660 61.300 0.133 0.000 1.311 569 I CB -0.689 37.395 38.000 0.140 0.000 1.030 569 I HN 0.197 nan 8.210 nan 0.000 0.398 570 L N 0.700 121.986 121.223 0.105 0.000 1.997 570 L HA -0.288 4.052 4.340 -0.000 0.000 0.216 570 L C 2.407 179.295 176.870 0.030 0.000 1.074 570 L CA 1.939 56.799 54.840 0.033 0.000 0.763 570 L CB -0.897 41.071 42.059 -0.152 0.000 0.890 570 L HN 0.174 nan 8.230 nan 0.000 0.434 571 F N 0.891 120.824 119.950 -0.028 0.000 2.025 571 F HA -0.287 4.240 4.527 -0.000 0.000 0.297 571 F C 2.351 178.057 175.800 -0.158 0.000 1.132 571 F CA 2.348 60.212 58.000 -0.227 0.000 1.191 571 F CB -0.746 38.219 39.000 -0.057 0.000 0.963 571 F HN 0.283 nan 8.300 nan 0.000 0.481 572 D N 0.024 120.393 120.400 -0.052 0.000 2.104 572 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 572 D C 2.210 178.417 176.300 -0.154 0.000 0.994 572 D CA 1.691 55.606 54.000 -0.142 0.000 0.830 572 D CB -0.672 40.143 40.800 0.024 0.000 0.959 572 D HN 0.503 nan 8.370 nan 0.000 0.452 573 E N 0.015 120.186 120.200 -0.047 0.000 2.085 573 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 573 E C 2.114 178.778 176.600 0.107 0.000 0.994 573 E CA 0.365 56.778 56.400 0.021 0.000 0.801 573 E CB -0.061 29.694 29.700 0.093 0.000 0.743 573 E HN 0.028 nan 8.360 nan 0.000 0.453 574 L N 1.391 122.637 121.223 0.037 0.000 2.191 574 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 574 L C 1.500 178.391 176.870 0.036 0.000 1.103 574 L CA 1.491 56.397 54.840 0.110 0.000 0.769 574 L CB -0.467 41.482 42.059 -0.184 0.000 0.908 574 L HN 0.068 nan 8.230 nan 0.000 0.438 575 N N -0.232 118.318 118.700 -0.251 0.000 2.013 575 N HA -0.182 4.558 4.740 -0.000 0.000 0.195 575 N C 1.397 176.795 175.510 -0.187 0.000 1.051 575 N CA 1.716 54.588 53.050 -0.297 0.000 0.851 575 N CB -0.542 37.714 38.487 -0.385 0.000 1.044 575 N HN 0.462 nan 8.380 nan 0.000 0.422 576 S N -0.270 115.266 115.700 -0.273 0.000 3.170 576 S HA 0.002 4.472 4.470 -0.000 0.000 0.252 576 S C -0.452 173.775 174.600 -0.622 0.000 1.047 576 S CA 0.215 58.180 58.200 -0.392 0.000 1.194 576 S CB -1.335 61.607 63.200 -0.430 0.000 0.916 576 S HN 0.116 nan 8.310 nan 0.000 0.506 577 F N 0.636 120.534 119.950 -0.087 0.000 2.561 577 F HA 0.334 4.860 4.527 -0.000 0.000 0.313 577 F C 0.237 175.981 175.800 -0.093 0.000 1.126 577 F CA -1.687 56.268 58.000 -0.075 0.000 0.918 577 F CB 1.624 40.600 39.000 -0.040 0.000 1.199 577 F HN 0.031 nan 8.300 nan 0.000 0.444 578 D N 4.363 124.829 120.400 0.110 0.000 2.982 578 D HA 0.105 4.744 4.640 -0.000 0.000 0.238 578 D C 1.760 178.071 176.300 0.017 0.000 1.168 578 D CA 0.460 54.486 54.000 0.042 0.000 0.947 578 D CB -0.270 40.546 40.800 0.026 0.000 1.147 578 D HN 0.555 nan 8.370 nan 0.000 0.450 579 I N 0.918 121.487 120.570 -0.002 0.000 2.181 579 I HA -0.374 3.796 4.170 -0.000 0.000 0.240 579 I C -0.586 175.551 176.117 0.032 0.000 1.006 579 I CA 1.580 62.810 61.300 -0.116 0.000 1.284 579 I CB -1.655 36.301 38.000 -0.073 0.000 0.990 579 I HN 0.258 nan 8.210 nan 0.000 0.408 580 P HA -0.165 nan 4.420 nan 0.000 0.217 580 P C 1.785 179.202 177.300 0.195 0.000 1.151 580 P CA 1.489 64.806 63.100 0.362 0.000 0.849 580 P CB 0.035 31.823 31.700 0.148 0.000 0.787 581 V N -0.838 119.124 119.914 0.080 0.000 2.251 581 V HA -0.166 3.954 4.120 -0.000 0.000 0.237 581 V C 2.419 178.507 176.094 -0.009 0.000 1.040 581 V CA 1.495 63.822 62.300 0.044 0.000 1.005 581 V CB -1.359 30.480 31.823 0.026 0.000 0.645 581 V HN -0.117 nan 8.190 nan 0.000 0.458 582 V N 0.080 119.942 119.914 -0.087 0.000 2.311 582 V HA -0.370 3.750 4.120 -0.000 0.000 0.256 582 V C 2.339 178.310 176.094 -0.204 0.000 1.077 582 V CA 2.447 64.641 62.300 -0.176 0.000 1.067 582 V CB -0.708 30.891 31.823 -0.373 0.000 0.659 582 V HN 0.466 nan 8.190 nan 0.000 0.451 583 L N -0.250 120.830 121.223 -0.239 0.000 2.217 583 L HA -0.104 4.235 4.340 -0.000 0.000 0.211 583 L C 2.382 179.165 176.870 -0.144 0.000 1.107 583 L CA 1.164 55.893 54.840 -0.186 0.000 0.783 583 L CB -0.358 41.636 42.059 -0.109 0.000 0.919 583 L HN 0.417 nan 8.230 nan 0.000 0.442 584 N N -0.267 118.435 118.700 0.004 0.000 2.376 584 N HA -0.179 4.561 4.740 -0.000 0.000 0.177 584 N C 1.389 176.912 175.510 0.023 0.000 1.024 584 N CA 1.096 54.183 53.050 0.062 0.000 0.893 584 N CB 0.202 38.788 38.487 0.166 0.000 0.980 584 N HN 0.333 nan 8.380 nan 0.000 0.439 585 D N 0.321 120.732 120.400 0.019 0.000 2.137 585 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 585 D C 2.103 178.433 176.300 0.050 0.000 0.970 585 D CA 0.365 54.393 54.000 0.046 0.000 0.837 585 D CB -0.117 40.720 40.800 0.063 0.000 0.981 585 D HN 0.125 nan 8.370 nan 0.000 0.475 586 L N 0.574 121.813 121.223 0.027 0.000 1.989 586 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 586 L C 2.237 179.105 176.870 -0.002 0.000 1.071 586 L CA 1.698 56.568 54.840 0.049 0.000 0.749 586 L CB -0.498 41.581 42.059 0.032 0.000 0.890 586 L HN 0.142 nan 8.230 nan 0.000 0.431 587 I N -0.274 120.249 120.570 -0.077 0.000 2.546 587 I HA -0.162 4.008 4.170 -0.000 0.000 0.255 587 I C 1.138 177.233 176.117 -0.036 0.000 1.163 587 I CA 0.837 62.077 61.300 -0.101 0.000 1.457 587 I CB -0.395 37.470 38.000 -0.225 0.000 1.092 587 I HN 0.433 nan 8.210 nan 0.000 0.434 588 N N 0.040 118.738 118.700 -0.004 0.000 2.171 588 N HA 0.092 4.832 4.740 -0.000 0.000 0.212 588 N C 0.617 176.151 175.510 0.039 0.000 1.184 588 N CA 0.213 53.281 53.050 0.028 0.000 0.888 588 N CB 0.524 39.039 38.487 0.047 0.000 1.038 588 N HN 0.349 nan 8.380 nan 0.000 0.517 589 N N -0.255 118.472 118.700 0.044 0.000 2.113 589 N HA 0.088 4.828 4.740 -0.000 0.000 0.223 589 N C 0.964 176.509 175.510 0.058 0.000 1.310 589 N CA 0.202 53.283 53.050 0.052 0.000 0.896 589 N CB 1.149 39.674 38.487 0.064 0.000 1.097 589 N HN 0.024 nan 8.380 nan 0.000 0.507 590 Q N 0.057 119.894 119.800 0.063 0.000 2.581 590 Q HA 0.380 4.720 4.340 -0.000 0.000 0.222 590 Q C 1.817 177.835 176.000 0.030 0.000 0.904 590 Q CA 0.758 56.604 55.803 0.072 0.000 0.923 590 Q CB 0.529 29.358 28.738 0.151 0.000 1.117 590 Q HN 0.138 nan 8.270 nan 0.000 0.618 591 M N -0.364 119.218 119.600 -0.030 0.000 2.329 591 M HA 0.120 4.600 4.480 -0.000 0.000 0.244 591 M C 0.342 176.655 176.300 0.022 0.000 1.156 591 M CA 0.611 55.816 55.300 -0.157 0.000 1.192 591 M CB 0.028 32.476 32.600 -0.253 0.000 1.241 591 M HN -0.214 nan 8.290 nan 0.000 0.465 592 K N 2.952 123.394 120.400 0.071 0.000 2.351 592 K HA 0.122 4.442 4.320 -0.000 0.000 0.287 592 K C -2.238 174.415 176.600 0.088 0.000 1.068 592 K CA -1.218 55.152 56.287 0.138 0.000 0.998 592 K CB 0.147 32.702 32.500 0.092 0.000 0.968 592 K HN 0.052 nan 8.250 nan 0.000 0.464 593 P HA 0.030 nan 4.420 nan 0.000 0.274 593 P C 0.180 177.503 177.300 0.038 0.000 1.237 593 P CA -0.303 62.831 63.100 0.056 0.000 0.793 593 P CB 1.164 32.908 31.700 0.073 0.000 0.977 594 G N 1.061 109.862 108.800 0.001 0.000 2.832 594 G HA2 0.325 4.285 3.960 -0.000 0.000 0.187 594 G HA3 0.325 4.285 3.960 -0.000 0.000 0.187 594 G C -0.412 174.448 174.900 -0.067 0.000 1.817 594 G CA 0.012 45.099 45.100 -0.022 0.000 0.896 594 G HN 0.459 nan 8.290 nan 0.000 0.453 595 I N -0.751 119.725 120.570 -0.157 0.000 2.534 595 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 595 I C -1.570 174.383 176.117 -0.273 0.000 1.077 595 I CA -0.409 60.723 61.300 -0.280 0.000 1.051 595 I CB 2.576 40.218 38.000 -0.596 0.000 1.234 595 I HN 0.119 nan 8.210 nan 0.000 0.425 596 F N 5.391 125.246 119.950 -0.158 0.000 2.375 596 F HA 0.222 4.749 4.527 -0.000 0.000 0.362 596 F C 0.315 176.107 175.800 -0.013 0.000 1.129 596 F CA -0.120 57.884 58.000 0.007 0.000 1.154 596 F CB 0.650 39.721 39.000 0.119 0.000 1.205 596 F HN 0.506 nan 8.300 nan 0.000 0.513 597 W N 6.355 127.812 121.300 0.260 0.000 2.979 597 W HA 0.051 4.711 4.660 -0.000 0.000 0.425 597 W C 0.549 177.227 176.519 0.264 0.000 0.884 597 W CA -0.127 57.341 57.345 0.206 0.000 2.044 597 W CB -0.583 28.946 29.460 0.115 0.000 0.872 597 W HN 0.502 nan 8.180 nan 0.000 0.759 598 K N 1.732 122.431 120.400 0.500 0.000 5.294 598 K HA -0.245 4.075 4.320 -0.000 0.000 0.344 598 K C -0.325 176.495 176.600 0.367 0.000 0.909 598 K CA 0.774 57.344 56.287 0.473 0.000 1.081 598 K CB -0.598 32.130 32.500 0.379 0.000 1.814 598 K HN 0.187 nan 8.250 nan 0.000 0.407 599 K N 3.616 124.176 120.400 0.265 0.000 2.206 599 K HA 0.067 4.387 4.320 -0.000 0.000 0.268 599 K C -0.560 175.791 176.600 -0.415 0.000 1.111 599 K CA -0.659 55.632 56.287 0.006 0.000 0.955 599 K CB 0.477 33.035 32.500 0.097 0.000 1.406 599 K HN 0.386 nan 8.250 nan 0.000 0.427 600 D N 1.892 122.226 120.400 -0.110 0.000 5.010 600 D HA -0.212 4.428 4.640 -0.000 0.000 0.147 600 D C 0.253 176.372 176.300 -0.301 0.000 1.020 600 D CA 1.257 55.228 54.000 -0.048 0.000 0.651 600 D CB 0.246 41.075 40.800 0.049 0.000 1.217 600 D HN 0.396 nan 8.370 nan 0.000 0.663 601 F N 2.137 121.972 119.950 -0.192 0.000 2.724 601 F HA 0.212 4.739 4.527 -0.000 0.000 0.306 601 F C 1.004 176.703 175.800 -0.168 0.000 1.100 601 F CA -0.492 57.352 58.000 -0.261 0.000 1.255 601 F CB 0.346 38.977 39.000 -0.616 0.000 1.072 601 F HN 0.168 nan 8.300 nan 0.000 0.589 602 I N 0.685 121.329 120.570 0.125 0.000 6.421 602 I HA -0.224 3.946 4.170 -0.000 0.000 0.126 602 I C 0.523 176.754 176.117 0.189 0.000 1.825 602 I CA -0.363 61.030 61.300 0.156 0.000 2.037 602 I CB -1.942 36.140 38.000 0.136 0.000 3.486 602 I HN 0.124 nan 8.210 nan 0.000 0.169 603 S N 3.712 119.650 115.700 0.397 0.000 3.106 603 S HA 0.193 4.663 4.470 -0.000 0.000 0.363 603 S C 1.080 175.861 174.600 0.302 0.000 1.191 603 S CA 0.418 58.963 58.200 0.576 0.000 1.191 603 S CB -0.011 63.456 63.200 0.445 0.000 0.884 603 S HN 0.847 nan 8.310 nan 0.000 0.526 604 A N 6.036 129.016 122.820 0.267 0.000 2.444 604 A HA 0.336 4.656 4.320 -0.000 0.000 0.273 604 A C 1.403 179.102 177.584 0.191 0.000 1.136 604 A CA -0.389 51.754 52.037 0.177 0.000 0.799 604 A CB -0.236 18.841 19.000 0.129 0.000 1.081 604 A HN 0.997 nan 8.150 nan 0.000 0.509 605 I N 1.344 121.934 120.570 0.033 0.000 2.094 605 I HA -0.025 4.144 4.170 -0.000 0.000 0.234 605 I C 1.088 177.008 176.117 -0.329 0.000 1.063 605 I CA 1.025 62.222 61.300 -0.172 0.000 1.328 605 I CB -0.318 37.603 38.000 -0.132 0.000 1.058 605 I HN 0.528 nan 8.210 nan 0.000 0.400 606 K N 1.174 121.496 120.400 -0.129 0.000 2.174 606 K HA 0.137 4.457 4.320 -0.000 0.000 0.275 606 K C -0.530 176.147 176.600 0.129 0.000 1.015 606 K CA -0.830 55.427 56.287 -0.051 0.000 0.933 606 K CB 0.824 33.312 32.500 -0.020 0.000 1.025 606 K HN 0.165 nan 8.250 nan 0.000 0.463 607 F N 4.311 124.313 119.950 0.087 0.000 2.539 607 F HA -0.049 4.478 4.527 -0.000 0.000 0.393 607 F C -0.069 175.829 175.800 0.163 0.000 1.032 607 F CA 0.230 58.342 58.000 0.187 0.000 1.120 607 F CB 0.048 39.176 39.000 0.213 0.000 1.014 607 F HN 0.472 nan 8.300 nan 0.000 0.546 608 D N 5.153 125.359 120.400 -0.325 0.000 2.412 608 D HA 0.220 4.859 4.640 -0.000 0.000 0.224 608 D C 1.096 177.041 176.300 -0.593 0.000 1.093 608 D CA 0.166 53.956 54.000 -0.351 0.000 0.850 608 D CB 1.427 42.151 40.800 -0.128 0.000 1.046 608 D HN 0.776 nan 8.370 nan 0.000 0.507 609 G N 3.240 111.627 108.800 -0.688 0.000 2.443 609 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 609 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 609 G C 1.162 175.979 174.900 -0.139 0.000 1.131 609 G CA 0.169 45.005 45.100 -0.440 0.000 0.775 609 G HN 0.498 nan 8.290 nan 0.000 0.547 610 F N 2.988 122.801 119.950 -0.228 0.000 1.990 610 F HA -0.142 4.385 4.527 -0.000 0.000 0.294 610 F C 3.068 178.759 175.800 -0.181 0.000 1.177 610 F CA 2.512 60.381 58.000 -0.217 0.000 1.167 610 F CB -1.017 37.817 39.000 -0.276 0.000 0.971 610 F HN 0.199 nan 8.300 nan 0.000 0.483 611 T N -1.851 112.497 114.554 -0.344 0.000 2.792 611 T HA -0.323 4.027 4.350 -0.000 0.000 0.268 611 T C 2.247 176.896 174.700 -0.086 0.000 1.059 611 T CA 1.705 63.603 62.100 -0.338 0.000 1.136 611 T CB -1.373 67.210 68.868 -0.475 0.000 0.846 611 T HN 0.402 nan 8.240 nan 0.000 0.489 612 S N 1.694 117.355 115.700 -0.065 0.000 2.348 612 S HA -0.086 4.384 4.470 -0.000 0.000 0.221 612 S C 2.088 176.753 174.600 0.110 0.000 1.033 612 S CA 1.380 59.647 58.200 0.111 0.000 1.010 612 S CB -0.621 62.719 63.200 0.233 0.000 0.891 612 S HN 0.760 nan 8.310 nan 0.000 0.442 613 I N -1.033 119.514 120.570 -0.038 0.000 2.617 613 I HA 0.018 4.187 4.170 -0.000 0.000 0.256 613 I C 1.726 177.764 176.117 -0.131 0.000 1.167 613 I CA 0.952 62.221 61.300 -0.052 0.000 1.469 613 I CB -0.420 37.381 38.000 -0.332 0.000 1.098 613 I HN 0.211 nan 8.210 nan 0.000 0.436 614 I N 1.743 122.148 120.570 -0.274 0.000 2.423 614 I HA -0.201 3.969 4.170 -0.000 0.000 0.254 614 I C 2.528 178.554 176.117 -0.152 0.000 1.151 614 I CA 1.112 62.250 61.300 -0.270 0.000 1.421 614 I CB -1.214 36.539 38.000 -0.412 0.000 1.079 614 I HN 0.331 nan 8.210 nan 0.000 0.431 615 S N 0.766 116.422 115.700 -0.074 0.000 2.317 615 S HA -0.090 4.380 4.470 -0.000 0.000 0.212 615 S C 1.936 176.440 174.600 -0.160 0.000 1.030 615 S CA 0.578 58.704 58.200 -0.123 0.000 0.970 615 S CB -0.542 62.644 63.200 -0.023 0.000 0.928 615 S HN 0.283 nan 8.310 nan 0.000 0.451 616 L N 2.501 123.672 121.223 -0.085 0.000 2.051 616 L HA -0.164 4.176 4.340 -0.000 0.000 0.214 616 L C 2.216 178.994 176.870 -0.155 0.000 1.076 616 L CA 1.865 56.646 54.840 -0.099 0.000 0.758 616 L CB -0.839 41.238 42.059 0.031 0.000 0.890 616 L HN 0.165 nan 8.230 nan 0.000 0.433 617 E N -0.604 119.539 120.200 -0.096 0.000 2.051 617 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 617 E C 2.284 178.810 176.600 -0.123 0.000 0.991 617 E CA 1.526 57.869 56.400 -0.095 0.000 0.799 617 E CB -0.413 29.255 29.700 -0.054 0.000 0.748 617 E HN 0.523 nan 8.360 nan 0.000 0.449 618 S N 1.154 116.764 115.700 -0.151 0.000 2.382 618 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 618 S C 1.903 176.362 174.600 -0.235 0.000 1.027 618 S CA 0.717 58.811 58.200 -0.176 0.000 0.991 618 S CB -0.255 62.833 63.200 -0.187 0.000 0.823 618 S HN 0.130 nan 8.310 nan 0.000 0.469 619 L N 2.366 123.433 121.223 -0.259 0.000 1.970 619 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 619 L C 2.234 178.908 176.870 -0.326 0.000 1.071 619 L CA 2.139 56.798 54.840 -0.301 0.000 0.751 619 L CB -1.174 40.708 42.059 -0.295 0.000 0.889 619 L HN 0.448 nan 8.230 nan 0.000 0.432 620 H N -0.320 118.473 119.070 -0.462 0.000 2.265 620 H HA -0.312 4.244 4.556 -0.000 0.000 0.293 620 H C 2.171 177.255 175.328 -0.406 0.000 1.089 620 H CA 2.523 58.237 56.048 -0.558 0.000 1.244 620 H CB -0.241 28.958 29.762 -0.938 0.000 1.355 620 H HN 0.628 nan 8.280 nan 0.000 0.485 621 Q N 0.008 119.547 119.800 -0.434 0.000 2.173 621 Q HA -0.193 4.147 4.340 -0.000 0.000 0.208 621 Q C 2.507 178.214 176.000 -0.489 0.000 0.989 621 Q CA 1.991 57.540 55.803 -0.424 0.000 0.872 621 Q CB -0.089 28.544 28.738 -0.176 0.000 0.909 621 Q HN 0.448 nan 8.270 nan 0.000 0.420 622 L N 0.021 120.968 121.223 -0.459 0.000 2.007 622 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 622 L C 2.121 178.580 176.870 -0.685 0.000 1.073 622 L CA 1.487 55.998 54.840 -0.550 0.000 0.744 622 L CB -0.563 41.179 42.059 -0.528 0.000 0.898 622 L HN 0.291 nan 8.230 nan 0.000 0.435 623 L N -0.673 120.208 121.223 -0.570 0.000 2.129 623 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 623 L C 2.475 179.205 176.870 -0.234 0.000 1.087 623 L CA 1.524 56.156 54.840 -0.348 0.000 0.757 623 L CB -0.797 41.120 42.059 -0.236 0.000 0.896 623 L HN 0.252 nan 8.230 nan 0.000 0.434 624 S N -0.103 115.346 115.700 -0.417 0.000 2.353 624 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 624 S C 1.964 176.410 174.600 -0.256 0.000 1.035 624 S CA 1.560 59.548 58.200 -0.353 0.000 1.025 624 S CB -0.371 62.464 63.200 -0.608 0.000 0.902 624 S HN 0.345 nan 8.310 nan 0.000 0.440 625 I N 0.755 121.049 120.570 -0.460 0.000 2.315 625 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 625 I C 2.340 178.430 176.117 -0.046 0.000 1.117 625 I CA 1.310 62.347 61.300 -0.438 0.000 1.404 625 I CB -0.548 37.080 38.000 -0.621 0.000 1.071 625 I HN 0.407 nan 8.210 nan 0.000 0.419 626 H N -0.663 118.363 119.070 -0.072 0.000 2.270 626 H HA -0.251 4.305 4.556 -0.000 0.000 0.299 626 H C 2.257 177.632 175.328 0.078 0.000 1.077 626 H CA 1.769 57.844 56.048 0.046 0.000 1.294 626 H CB -0.189 29.654 29.762 0.134 0.000 1.371 626 H HN 0.220 nan 8.280 nan 0.000 0.491 627 Y N 2.138 122.493 120.300 0.092 0.000 2.102 627 Y HA -0.347 4.203 4.550 -0.000 0.000 0.280 627 Y C 2.760 178.677 175.900 0.029 0.000 1.178 627 Y CA 2.008 60.116 58.100 0.014 0.000 1.146 627 Y CB -0.403 38.024 38.460 -0.054 0.000 0.968 627 Y HN 0.013 nan 8.280 nan 0.000 0.504 628 R N 0.312 120.772 120.500 -0.065 0.000 2.080 628 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 628 R C 2.342 178.595 176.300 -0.079 0.000 1.137 628 R CA 2.393 58.417 56.100 -0.127 0.000 0.943 628 R CB -0.641 29.677 30.300 0.029 0.000 0.846 628 R HN 0.516 nan 8.270 nan 0.000 0.431 629 I N 0.708 121.284 120.570 0.010 0.000 2.127 629 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 629 I C 2.272 178.384 176.117 -0.008 0.000 1.075 629 I CA 2.003 63.315 61.300 0.019 0.000 1.334 629 I CB -0.788 37.260 38.000 0.080 0.000 1.040 629 I HN 0.338 nan 8.210 nan 0.000 0.405 630 T N 1.585 116.142 114.554 0.006 0.000 2.597 630 T HA -0.282 4.068 4.350 -0.000 0.000 0.267 630 T C 1.908 176.605 174.700 -0.004 0.000 1.053 630 T CA 1.891 63.989 62.100 -0.003 0.000 1.165 630 T CB -0.689 68.209 68.868 0.050 0.000 0.863 630 T HN 0.197 nan 8.240 nan 0.000 0.427 631 L N 0.956 122.166 121.223 -0.021 0.000 2.013 631 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 631 L C 2.736 179.658 176.870 0.087 0.000 1.073 631 L CA 1.848 56.728 54.840 0.067 0.000 0.753 631 L CB -0.569 41.390 42.059 -0.167 0.000 0.890 631 L HN 0.329 nan 8.230 nan 0.000 0.432 632 Q N -1.572 118.234 119.800 0.010 0.000 2.084 632 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 632 Q C 2.208 178.228 176.000 0.035 0.000 0.978 632 Q CA 1.770 57.587 55.803 0.023 0.000 0.844 632 Q CB -0.345 28.373 28.738 -0.034 0.000 0.898 632 Q HN 0.449 nan 8.270 nan 0.000 0.426 633 V N 1.295 121.209 119.914 0.000 0.000 2.214 633 V HA -0.318 3.801 4.120 -0.000 0.000 0.247 633 V C 2.287 178.434 176.094 0.089 0.000 1.051 633 V CA 1.969 64.296 62.300 0.044 0.000 1.003 633 V CB -0.670 31.160 31.823 0.010 0.000 0.635 633 V HN 0.299 nan 8.190 nan 0.000 0.447 634 L N -0.778 120.378 121.223 -0.113 0.000 2.064 634 L HA -0.265 4.075 4.340 -0.000 0.000 0.216 634 L C 2.356 179.338 176.870 0.188 0.000 1.077 634 L CA 1.767 56.464 54.840 -0.240 0.000 0.766 634 L CB -0.931 40.692 42.059 -0.728 0.000 0.890 634 L HN 0.353 nan 8.230 nan 0.000 0.435 635 L N -0.391 120.998 121.223 0.277 0.000 2.189 635 L HA -0.232 4.108 4.340 -0.000 0.000 0.214 635 L C 2.602 179.629 176.870 0.262 0.000 1.097 635 L CA 2.428 57.447 54.840 0.298 0.000 0.764 635 L CB -0.808 41.381 42.059 0.217 0.000 0.900 635 L HN 0.588 nan 8.230 nan 0.000 0.436 636 T N -4.905 109.837 114.554 0.313 0.000 3.014 636 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 636 T C 1.621 176.568 174.700 0.412 0.000 1.078 636 T CA 0.564 62.862 62.100 0.329 0.000 1.135 636 T CB -0.720 68.334 68.868 0.311 0.000 0.895 636 T HN 0.188 nan 8.240 nan 0.000 0.480 637 F N 2.157 122.242 119.950 0.224 0.000 2.546 637 F HA 0.160 4.687 4.527 -0.000 0.000 0.298 637 F C 2.407 178.497 175.800 0.482 0.000 1.120 637 F CA 0.175 58.366 58.000 0.318 0.000 1.456 637 F CB -0.343 38.908 39.000 0.419 0.000 1.088 637 F HN 0.261 nan 8.300 nan 0.000 0.572 638 V N -2.801 117.435 119.914 0.536 0.000 3.085 638 V HA 0.117 4.237 4.120 -0.000 0.000 0.245 638 V C 1.524 177.729 176.094 0.185 0.000 1.114 638 V CA 0.745 63.301 62.300 0.426 0.000 1.108 638 V CB -0.344 31.658 31.823 0.299 0.000 0.798 638 V HN 0.216 nan 8.190 nan 0.000 0.471 639 L N -0.098 121.144 121.223 0.031 0.000 2.612 639 L HA 0.409 4.749 4.340 -0.000 0.000 0.230 639 L C -0.451 175.938 176.870 -0.801 0.000 1.140 639 L CA 0.413 55.046 54.840 -0.346 0.000 0.896 639 L CB -0.053 41.648 42.059 -0.596 0.000 1.065 639 L HN 0.313 nan 8.230 nan 0.000 0.447 640 F N -1.508 118.457 119.950 0.026 0.000 2.635 640 F HA 0.176 4.703 4.527 -0.000 0.000 0.314 640 F C -0.021 175.772 175.800 -0.011 0.000 1.119 640 F CA -1.661 56.338 58.000 -0.001 0.000 1.000 640 F CB 1.096 40.120 39.000 0.039 0.000 1.278 640 F HN -0.214 nan 8.300 nan 0.000 0.446 641 D N 4.769 125.273 120.400 0.172 0.000 2.344 641 D HA 0.340 4.979 4.640 -0.000 0.000 0.253 641 D C -0.899 175.455 176.300 0.091 0.000 1.255 641 D CA 0.386 54.436 54.000 0.083 0.000 0.894 641 D CB 0.466 41.287 40.800 0.034 0.000 1.067 641 D HN 0.465 nan 8.370 nan 0.000 0.492 642 L N 2.350 123.606 121.223 0.055 0.000 2.323 642 L HA 0.237 4.577 4.340 -0.000 0.000 0.265 642 L C 0.436 177.338 176.870 0.053 0.000 1.012 642 L CA -1.136 53.742 54.840 0.064 0.000 0.820 642 L CB 1.903 43.951 42.059 -0.019 0.000 1.334 642 L HN 0.259 nan 8.230 nan 0.000 0.427 643 D N 0.970 121.407 120.400 0.062 0.000 2.356 643 D HA -0.070 4.570 4.640 -0.000 0.000 0.272 643 D C 1.081 177.387 176.300 0.011 0.000 1.337 643 D CA 0.360 54.354 54.000 -0.009 0.000 0.970 643 D CB 1.066 41.812 40.800 -0.090 0.000 1.092 643 D HN 0.560 nan 8.370 nan 0.000 0.516 644 T N 2.201 116.744 114.554 -0.018 0.000 3.139 644 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 644 T C 1.201 175.885 174.700 -0.028 0.000 1.164 644 T CA 1.101 63.180 62.100 -0.035 0.000 1.075 644 T CB 0.051 68.851 68.868 -0.113 0.000 0.904 644 T HN 0.504 nan 8.240 nan 0.000 0.540 645 E N -0.819 119.354 120.200 -0.046 0.000 2.413 645 E HA 0.132 4.482 4.350 -0.000 0.000 0.203 645 E C 1.707 178.248 176.600 -0.099 0.000 0.957 645 E CA -0.008 56.355 56.400 -0.062 0.000 0.950 645 E CB 0.225 29.886 29.700 -0.065 0.000 0.957 645 E HN 0.560 nan 8.360 nan 0.000 0.497 646 I N 0.141 120.617 120.570 -0.158 0.000 2.315 646 I HA -0.144 4.026 4.170 -0.000 0.000 0.233 646 I C 1.621 177.563 176.117 -0.292 0.000 1.067 646 I CA 0.773 61.888 61.300 -0.310 0.000 1.376 646 I CB -0.278 37.381 38.000 -0.569 0.000 1.143 646 I HN 0.046 nan 8.210 nan 0.000 0.421 647 F N 1.432 121.352 119.950 -0.051 0.000 2.604 647 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 647 F C 2.418 178.263 175.800 0.075 0.000 1.131 647 F CA 0.712 58.728 58.000 0.027 0.000 1.457 647 F CB -1.408 37.693 39.000 0.167 0.000 1.095 647 F HN 0.053 nan 8.300 nan 0.000 0.574 648 G N -0.118 108.781 108.800 0.164 0.000 2.562 648 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.223 648 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.223 648 G C 1.593 176.529 174.900 0.059 0.000 1.102 648 G CA 1.212 46.368 45.100 0.093 0.000 0.742 648 G HN 0.339 nan 8.290 nan 0.000 0.587 649 Q N 0.488 120.286 119.800 -0.004 0.000 2.020 649 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 649 Q C 2.292 178.335 176.000 0.072 0.000 0.982 649 Q CA 1.894 57.681 55.803 -0.028 0.000 0.838 649 Q CB -0.707 27.947 28.738 -0.139 0.000 0.899 649 Q HN 0.592 nan 8.270 nan 0.000 0.423 650 H N 0.396 119.534 119.070 0.113 0.000 2.253 650 H HA -0.100 4.456 4.556 -0.000 0.000 0.296 650 H C 2.273 177.591 175.328 -0.016 0.000 1.067 650 H CA 1.649 57.743 56.048 0.076 0.000 1.245 650 H CB -0.887 28.973 29.762 0.164 0.000 1.364 650 H HN 0.289 nan 8.280 nan 0.000 0.494 651 I N 0.619 121.264 120.570 0.124 0.000 2.345 651 I HA -0.427 3.743 4.170 -0.000 0.000 0.228 651 I C 2.393 178.483 176.117 -0.046 0.000 0.960 651 I CA 2.057 63.313 61.300 -0.073 0.000 1.262 651 I CB -0.703 37.310 38.000 0.022 0.000 0.969 651 I HN 0.138 nan 8.210 nan 0.000 0.385 652 S N -0.383 115.321 115.700 0.006 0.000 2.461 652 S HA -0.213 4.257 4.470 -0.000 0.000 0.249 652 S C 1.805 176.395 174.600 -0.016 0.000 1.012 652 S CA 1.892 60.089 58.200 -0.005 0.000 0.982 652 S CB -0.433 62.771 63.200 0.007 0.000 0.764 652 S HN 0.534 nan 8.310 nan 0.000 0.506 653 T N 1.812 116.363 114.554 -0.005 0.000 2.901 653 T HA 0.219 4.568 4.350 -0.000 0.000 0.252 653 T C 1.758 176.415 174.700 -0.072 0.000 1.035 653 T CA 0.377 62.465 62.100 -0.019 0.000 1.142 653 T CB -0.222 68.661 68.868 0.024 0.000 0.869 653 T HN 0.218 nan 8.240 nan 0.000 0.442 654 L N 0.990 122.151 121.223 -0.103 0.000 1.990 654 L HA -0.147 4.193 4.340 -0.000 0.000 0.213 654 L C 2.496 179.290 176.870 -0.126 0.000 1.072 654 L CA 1.459 56.203 54.840 -0.160 0.000 0.755 654 L CB -0.748 41.144 42.059 -0.279 0.000 0.889 654 L HN 0.263 nan 8.230 nan 0.000 0.432 655 L N -0.578 120.555 121.223 -0.149 0.000 1.990 655 L HA -0.310 4.029 4.340 -0.000 0.000 0.213 655 L C 2.507 179.390 176.870 0.021 0.000 1.072 655 L CA 1.788 56.560 54.840 -0.113 0.000 0.755 655 L CB -0.916 41.072 42.059 -0.119 0.000 0.889 655 L HN 0.468 nan 8.230 nan 0.000 0.432 656 D N 0.523 120.917 120.400 -0.010 0.000 2.106 656 D HA -0.225 4.414 4.640 -0.000 0.000 0.191 656 D C 2.288 178.611 176.300 0.038 0.000 0.997 656 D CA 1.644 55.657 54.000 0.021 0.000 0.834 656 D CB 0.086 40.873 40.800 -0.021 0.000 0.956 656 D HN 0.284 nan 8.370 nan 0.000 0.448 657 L N 0.326 121.497 121.223 -0.086 0.000 1.961 657 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 657 L C 2.823 179.694 176.870 0.003 0.000 1.072 657 L CA 1.556 56.252 54.840 -0.239 0.000 0.749 657 L CB -1.211 40.616 42.059 -0.387 0.000 0.889 657 L HN 0.326 nan 8.230 nan 0.000 0.432 658 H N -0.119 118.950 119.070 -0.002 0.000 2.272 658 H HA -0.359 4.197 4.556 -0.000 0.000 0.289 658 H C 2.226 177.684 175.328 0.217 0.000 1.100 658 H CA 2.827 58.968 56.048 0.154 0.000 1.209 658 H CB -0.796 29.026 29.762 0.099 0.000 1.348 658 H HN 0.411 nan 8.280 nan 0.000 0.481 659 Y N 1.601 122.123 120.300 0.371 0.000 2.241 659 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 659 Y C 2.618 178.623 175.900 0.175 0.000 1.166 659 Y CA 2.160 60.419 58.100 0.265 0.000 1.203 659 Y CB -0.060 38.482 38.460 0.137 0.000 0.977 659 Y HN 0.187 nan 8.280 nan 0.000 0.529 660 K N -0.257 120.245 120.400 0.172 0.000 2.044 660 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 660 K C 2.107 178.735 176.600 0.047 0.000 1.049 660 K CA 1.553 57.891 56.287 0.085 0.000 0.945 660 K CB -0.190 32.391 32.500 0.135 0.000 0.724 660 K HN 0.431 nan 8.250 nan 0.000 0.440 661 Q N 0.379 120.234 119.800 0.093 0.000 2.014 661 Q HA -0.225 4.115 4.340 -0.000 0.000 0.207 661 Q C 1.993 177.913 176.000 -0.134 0.000 0.993 661 Q CA 2.103 57.951 55.803 0.074 0.000 0.850 661 Q CB -0.432 28.400 28.738 0.155 0.000 0.916 661 Q HN 0.240 nan 8.270 nan 0.000 0.417 662 F N 1.021 120.730 119.950 -0.401 0.000 2.063 662 F HA -0.313 4.214 4.527 -0.000 0.000 0.298 662 F C 1.983 177.576 175.800 -0.346 0.000 1.109 662 F CA 1.420 59.100 58.000 -0.534 0.000 1.212 662 F CB -0.249 38.499 39.000 -0.421 0.000 0.973 662 F HN 0.027 nan 8.300 nan 0.000 0.480 663 L N -0.284 120.918 121.223 -0.035 0.000 2.043 663 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 663 L C 2.277 179.064 176.870 -0.137 0.000 1.075 663 L CA 1.611 56.389 54.840 -0.103 0.000 0.752 663 L CB -0.781 41.167 42.059 -0.185 0.000 0.891 663 L HN 0.371 nan 8.230 nan 0.000 0.432 664 L N -1.369 119.779 121.223 -0.124 0.000 2.027 664 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 664 L C 2.269 179.054 176.870 -0.141 0.000 1.074 664 L CA 1.579 56.354 54.840 -0.107 0.000 0.745 664 L CB -0.349 41.660 42.059 -0.084 0.000 0.898 664 L HN 0.156 nan 8.230 nan 0.000 0.433 665 L N -0.305 120.780 121.223 -0.230 0.000 1.956 665 L HA -0.310 4.030 4.340 -0.000 0.000 0.216 665 L C 2.354 179.088 176.870 -0.227 0.000 1.073 665 L CA 2.025 56.729 54.840 -0.228 0.000 0.762 665 L CB -1.011 40.778 42.059 -0.451 0.000 0.889 665 L HN 0.355 nan 8.230 nan 0.000 0.433 666 N N -0.156 118.284 118.700 -0.432 0.000 2.091 666 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 666 N C 1.842 177.246 175.510 -0.177 0.000 1.021 666 N CA 1.260 54.103 53.050 -0.345 0.000 0.862 666 N CB -0.296 37.972 38.487 -0.365 0.000 1.018 666 N HN 0.220 nan 8.380 nan 0.000 0.429 667 L N -0.856 120.288 121.223 -0.132 0.000 2.083 667 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 667 L C 2.037 178.875 176.870 -0.053 0.000 1.083 667 L CA 1.113 55.902 54.840 -0.085 0.000 0.752 667 L CB -0.635 41.382 42.059 -0.070 0.000 0.899 667 L HN 0.320 nan 8.230 nan 0.000 0.433 668 Y N 1.571 121.755 120.300 -0.192 0.000 2.151 668 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 668 Y C 2.686 178.451 175.900 -0.224 0.000 1.166 668 Y CA 1.630 59.605 58.100 -0.208 0.000 1.163 668 Y CB -0.334 37.995 38.460 -0.220 0.000 0.974 668 Y HN 0.064 nan 8.280 nan 0.000 0.511 669 R N -0.600 119.741 120.500 -0.264 0.000 2.055 669 R HA -0.143 4.197 4.340 -0.000 0.000 0.228 669 R C 2.255 178.390 176.300 -0.274 0.000 1.143 669 R CA 1.249 57.125 56.100 -0.373 0.000 0.945 669 R CB -0.656 29.484 30.300 -0.268 0.000 0.841 669 R HN 0.226 nan 8.270 nan 0.000 0.429 670 Q N 0.883 120.571 119.800 -0.187 0.000 1.991 670 Q HA -0.189 4.151 4.340 -0.000 0.000 0.213 670 Q C 0.116 176.016 176.000 -0.167 0.000 1.022 670 Q CA 1.864 57.579 55.803 -0.147 0.000 0.877 670 Q CB -0.059 28.615 28.738 -0.106 0.000 0.970 670 Q HN 0.159 nan 8.270 nan 0.000 0.414 671 D N -2.157 118.137 120.400 -0.177 0.000 2.337 671 D HA 0.117 4.757 4.640 -0.000 0.000 0.238 671 D C -0.305 175.860 176.300 -0.225 0.000 1.331 671 D CA -0.093 53.790 54.000 -0.195 0.000 0.967 671 D CB 0.463 41.162 40.800 -0.169 0.000 1.382 671 D HN 0.056 nan 8.370 nan 0.000 0.549 672 K N 0.895 121.141 120.400 -0.257 0.000 2.044 672 K HA -0.156 4.163 4.320 -0.000 0.000 0.210 672 K C 2.014 178.294 176.600 -0.532 0.000 1.049 672 K CA 1.722 57.849 56.287 -0.268 0.000 0.927 672 K CB -0.251 32.151 32.500 -0.164 0.000 0.713 672 K HN 0.498 nan 8.250 nan 0.000 0.443 673 C N 1.168 120.088 119.300 -0.633 0.000 2.413 673 C HA -0.128 4.331 4.460 -0.000 0.000 0.276 673 C C 2.488 177.153 174.990 -0.543 0.000 1.236 673 C CA 0.631 59.128 59.018 -0.869 0.000 1.735 673 C CB -0.903 26.506 27.740 -0.552 0.000 2.031 673 C HN 0.444 nan 8.230 nan 0.000 0.474 674 L N 0.700 121.713 121.223 -0.351 0.000 1.955 674 L HA -0.057 4.283 4.340 -0.000 0.000 0.213 674 L C 2.408 179.144 176.870 -0.224 0.000 1.072 674 L CA 2.279 56.972 54.840 -0.245 0.000 0.755 674 L CB -1.055 40.889 42.059 -0.192 0.000 0.888 674 L HN 0.458 nan 8.230 nan 0.000 0.432 675 L N -0.291 120.807 121.223 -0.207 0.000 2.137 675 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 675 L C 2.374 179.143 176.870 -0.168 0.000 1.085 675 L CA 2.197 56.944 54.840 -0.155 0.000 0.760 675 L CB -0.996 40.998 42.059 -0.108 0.000 0.893 675 L HN 0.323 nan 8.230 nan 0.000 0.434 676 A N -0.949 121.720 122.820 -0.252 0.000 1.898 676 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 676 A C 2.089 179.593 177.584 -0.132 0.000 1.181 676 A CA 1.445 53.359 52.037 -0.205 0.000 0.620 676 A CB -0.489 18.294 19.000 -0.361 0.000 0.819 676 A HN 0.564 nan 8.150 nan 0.000 0.442 677 E N 0.215 120.313 120.200 -0.169 0.000 2.106 677 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 677 E C 2.099 178.636 176.600 -0.106 0.000 0.984 677 E CA 1.644 57.966 56.400 -0.130 0.000 0.806 677 E CB -0.877 28.727 29.700 -0.159 0.000 0.750 677 E HN 0.671 nan 8.360 nan 0.000 0.458 678 V N -1.307 118.542 119.914 -0.109 0.000 3.510 678 V HA -0.011 4.109 4.120 -0.000 0.000 0.270 678 V C 1.577 177.629 176.094 -0.071 0.000 1.201 678 V CA 0.865 63.113 62.300 -0.087 0.000 1.166 678 V CB -0.259 31.514 31.823 -0.083 0.000 0.825 678 V HN 0.003 nan 8.190 nan 0.000 0.484 679 L N -0.811 120.369 121.223 -0.070 0.000 2.858 679 L HA 0.529 4.869 4.340 -0.000 0.000 0.251 679 L C 1.138 178.000 176.870 -0.013 0.000 1.149 679 L CA 0.783 55.588 54.840 -0.058 0.000 0.955 679 L CB 0.778 42.785 42.059 -0.087 0.000 1.289 679 L HN 0.293 nan 8.230 nan 0.000 0.542 680 L N -1.159 120.065 121.223 0.001 0.000 3.168 680 L HA 0.295 4.635 4.340 -0.000 0.000 0.277 680 L C 1.180 178.041 176.870 -0.016 0.000 1.245 680 L CA 0.329 55.205 54.840 0.061 0.000 1.035 680 L CB 0.158 42.292 42.059 0.126 0.000 1.399 680 L HN 0.067 nan 8.230 nan 0.000 0.580 681 K N -1.727 118.638 120.400 -0.059 0.000 2.590 681 K HA 0.049 4.369 4.320 -0.000 0.000 0.218 681 K C 1.080 177.627 176.600 -0.088 0.000 1.536 681 K CA 0.228 56.440 56.287 -0.125 0.000 1.013 681 K CB 0.624 33.035 32.500 -0.149 0.000 1.265 681 K HN 0.002 nan 8.250 nan 0.000 0.603 682 D N 1.206 121.576 120.400 -0.050 0.000 2.178 682 D HA -0.067 4.573 4.640 -0.000 0.000 0.202 682 D C 0.443 176.733 176.300 -0.016 0.000 0.974 682 D CA 1.171 55.150 54.000 -0.036 0.000 0.841 682 D CB 0.155 40.938 40.800 -0.029 0.000 0.953 682 D HN 0.202 nan 8.370 nan 0.000 0.478 683 S N -0.196 115.516 115.700 0.019 0.000 3.697 683 S HA 0.168 4.638 4.470 -0.000 0.000 0.207 683 S C 1.546 176.170 174.600 0.040 0.000 1.459 683 S CA 0.211 58.473 58.200 0.103 0.000 1.122 683 S CB -0.206 63.107 63.200 0.188 0.000 1.311 683 S HN 0.256 nan 8.310 nan 0.000 0.487 684 S N 2.773 118.426 115.700 -0.080 0.000 2.445 684 S HA -0.453 4.017 4.470 -0.000 0.000 0.293 684 S C 1.592 176.003 174.600 -0.315 0.000 1.163 684 S CA 2.122 60.214 58.200 -0.180 0.000 1.287 684 S CB -1.238 61.876 63.200 -0.143 0.000 1.234 684 S HN 0.759 nan 8.310 nan 0.000 0.446 685 E N 1.253 121.157 120.200 -0.493 0.000 2.187 685 E HA -0.152 4.198 4.350 -0.000 0.000 0.199 685 E C 0.716 176.875 176.600 -0.735 0.000 1.004 685 E CA 1.453 57.415 56.400 -0.730 0.000 0.813 685 E CB -0.495 28.490 29.700 -1.192 0.000 0.736 685 E HN 0.830 nan 8.360 nan 0.000 0.468 686 F N 0.831 120.731 119.950 -0.083 0.000 2.987 686 F HA 0.169 4.696 4.527 -0.000 0.000 0.302 686 F C 0.874 176.556 175.800 -0.197 0.000 1.221 686 F CA -0.493 57.462 58.000 -0.075 0.000 1.307 686 F CB 0.113 39.033 39.000 -0.133 0.000 1.108 686 F HN -0.160 nan 8.300 nan 0.000 0.521 687 S N -1.176 114.252 115.700 -0.454 0.000 2.967 687 S HA 0.145 4.615 4.470 -0.000 0.000 0.254 687 S C 0.316 174.213 174.600 -1.172 0.000 1.089 687 S CA 0.045 57.791 58.200 -0.757 0.000 1.183 687 S CB -1.114 61.569 63.200 -0.861 0.000 0.848 687 S HN 0.382 nan 8.310 nan 0.000 0.477 688 F N -0.583 119.453 119.950 0.144 0.000 2.959 688 F HA 0.509 5.035 4.527 -0.000 0.000 0.393 688 F C 1.138 177.099 175.800 0.269 0.000 0.957 688 F CA -0.039 58.094 58.000 0.222 0.000 1.049 688 F CB 0.374 39.479 39.000 0.175 0.000 1.189 688 F HN 0.553 nan 8.300 nan 0.000 0.563 689 G N 0.654 109.636 108.800 0.303 0.000 2.343 689 G HA2 0.246 4.206 3.960 -0.000 0.000 0.562 689 G HA3 0.246 4.206 3.960 -0.000 0.000 0.562 689 G C -1.714 173.239 174.900 0.088 0.000 1.269 689 G CA -0.582 44.645 45.100 0.211 0.000 1.011 689 G HN 0.055 nan 8.290 nan 0.000 0.498 690 V N 0.376 120.246 119.914 -0.073 0.000 3.166 690 V HA 0.854 4.974 4.120 -0.000 0.000 0.317 690 V C -0.443 175.407 176.094 -0.408 0.000 1.136 690 V CA -0.897 61.266 62.300 -0.228 0.000 1.035 690 V CB 2.078 33.681 31.823 -0.366 0.000 1.110 690 V HN 0.695 nan 8.190 nan 0.000 0.450 691 K N 2.157 122.303 120.400 -0.423 0.000 2.827 691 K HA 0.372 4.692 4.320 -0.000 0.000 0.186 691 K C -1.048 175.071 176.600 -0.802 0.000 1.093 691 K CA -0.180 55.729 56.287 -0.630 0.000 0.993 691 K CB 0.660 32.965 32.500 -0.324 0.000 1.199 691 K HN 0.454 nan 8.250 nan 0.000 0.598 692 F N -0.163 119.563 119.950 -0.372 0.000 2.490 692 F HA 0.236 4.763 4.527 -0.000 0.000 0.336 692 F C 1.101 176.506 175.800 -0.659 0.000 1.178 692 F CA -0.468 57.333 58.000 -0.331 0.000 1.301 692 F CB 0.057 39.014 39.000 -0.073 0.000 1.175 692 F HN 0.164 nan 8.300 nan 0.000 0.593 693 F N -0.466 119.602 119.950 0.197 0.000 2.974 693 F HA 0.203 4.730 4.527 -0.000 0.000 0.357 693 F C -0.576 175.228 175.800 0.006 0.000 1.114 693 F CA -0.755 57.269 58.000 0.040 0.000 1.099 693 F CB -0.111 38.876 39.000 -0.021 0.000 1.205 693 F HN 0.541 nan 8.300 nan 0.000 0.535 694 N N -2.981 115.806 118.700 0.145 0.000 2.504 694 N HA 0.168 4.908 4.740 -0.000 0.000 0.268 694 N C -0.163 175.343 175.510 -0.007 0.000 1.184 694 N CA -0.742 52.314 53.050 0.010 0.000 0.875 694 N CB 0.338 38.869 38.487 0.074 0.000 1.630 694 N HN -0.174 nan 8.380 nan 0.000 0.486 695 Y N 0.541 120.895 120.300 0.089 0.000 2.348 695 Y HA -0.050 4.500 4.550 -0.000 0.000 0.285 695 Y C 2.266 178.177 175.900 0.019 0.000 1.173 695 Y CA 1.967 60.091 58.100 0.040 0.000 1.263 695 Y CB -0.584 37.896 38.460 0.033 0.000 0.974 695 Y HN 0.878 nan 8.280 nan 0.000 0.547 696 G N -0.771 108.125 108.800 0.161 0.000 2.394 696 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 696 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 696 G C 1.456 176.399 174.900 0.071 0.000 1.165 696 G CA 0.600 45.762 45.100 0.105 0.000 0.784 696 G HN 0.413 nan 8.290 nan 0.000 0.535 697 Q N -0.554 119.281 119.800 0.058 0.000 2.119 697 Q HA 0.001 4.341 4.340 -0.000 0.000 0.201 697 Q C 2.409 178.403 176.000 -0.010 0.000 0.972 697 Q CA 0.753 56.571 55.803 0.024 0.000 0.847 697 Q CB -0.244 28.551 28.738 0.096 0.000 0.903 697 Q HN 0.394 nan 8.270 nan 0.000 0.433 698 L N 1.134 122.316 121.223 -0.068 0.000 1.948 698 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 698 L C 2.045 178.833 176.870 -0.136 0.000 1.074 698 L CA 1.669 56.344 54.840 -0.275 0.000 0.753 698 L CB -0.708 41.237 42.059 -0.190 0.000 0.888 698 L HN 0.191 nan 8.230 nan 0.000 0.432 699 I N -0.095 120.460 120.570 -0.025 0.000 2.145 699 I HA -0.394 3.776 4.170 -0.000 0.000 0.244 699 I C 2.627 178.784 176.117 0.067 0.000 1.075 699 I CA 1.362 62.661 61.300 -0.001 0.000 1.332 699 I CB -0.945 37.074 38.000 0.031 0.000 1.033 699 I HN 0.449 nan 8.210 nan 0.000 0.410 700 A N 0.806 123.709 122.820 0.138 0.000 1.870 700 A HA -0.333 3.987 4.320 -0.000 0.000 0.219 700 A C 2.340 180.056 177.584 0.219 0.000 1.224 700 A CA 2.338 54.549 52.037 0.290 0.000 0.650 700 A CB -1.393 17.685 19.000 0.130 0.000 0.836 700 A HN 0.503 nan 8.150 nan 0.000 0.454 701 Y N 0.681 121.007 120.300 0.043 0.000 2.030 701 Y HA -0.255 4.294 4.550 -0.000 0.000 0.274 701 Y C 2.234 178.067 175.900 -0.112 0.000 1.153 701 Y CA 1.355 59.476 58.100 0.034 0.000 1.115 701 Y CB -0.806 37.636 38.460 -0.029 0.000 0.969 701 Y HN 0.272 nan 8.280 nan 0.000 0.488 702 I N 1.015 121.429 120.570 -0.261 0.000 2.094 702 I HA -0.419 3.751 4.170 -0.000 0.000 0.236 702 I C 2.339 178.312 176.117 -0.240 0.000 1.016 702 I CA 2.070 63.158 61.300 -0.352 0.000 1.294 702 I CB -1.626 36.224 38.000 -0.250 0.000 1.006 702 I HN 0.317 nan 8.210 nan 0.000 0.397 703 D N 0.148 120.503 120.400 -0.074 0.000 2.172 703 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 703 D C 2.279 178.597 176.300 0.030 0.000 0.999 703 D CA 1.924 55.934 54.000 0.017 0.000 0.856 703 D CB -0.023 40.883 40.800 0.177 0.000 0.934 703 D HN 0.401 nan 8.370 nan 0.000 0.453 704 S N 0.460 116.163 115.700 0.005 0.000 2.359 704 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 704 S C 2.160 176.688 174.600 -0.121 0.000 1.039 704 S CA 1.098 59.254 58.200 -0.073 0.000 1.042 704 S CB -0.175 62.894 63.200 -0.219 0.000 0.915 704 S HN 0.102 nan 8.310 nan 0.000 0.439 705 L N 2.273 123.352 121.223 -0.240 0.000 2.109 705 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 705 L C 2.373 179.113 176.870 -0.217 0.000 1.086 705 L CA 1.722 56.416 54.840 -0.244 0.000 0.760 705 L CB -1.213 40.629 42.059 -0.361 0.000 0.910 705 L HN 0.486 nan 8.230 nan 0.000 0.437 706 N N -0.532 118.018 118.700 -0.249 0.000 2.184 706 N HA -0.244 4.495 4.740 -0.000 0.000 0.190 706 N C 1.763 177.065 175.510 -0.347 0.000 1.011 706 N CA 1.323 54.169 53.050 -0.341 0.000 0.867 706 N CB 0.140 38.460 38.487 -0.279 0.000 0.993 706 N HN 0.340 nan 8.380 nan 0.000 0.433 707 S N 0.741 116.351 115.700 -0.150 0.000 2.317 707 S HA -0.034 4.436 4.470 -0.000 0.000 0.212 707 S C 1.409 176.012 174.600 0.005 0.000 1.030 707 S CA 0.930 59.111 58.200 -0.031 0.000 0.970 707 S CB -0.561 62.660 63.200 0.035 0.000 0.928 707 S HN 0.437 nan 8.310 nan 0.000 0.451 708 N N 1.313 120.002 118.700 -0.018 0.000 2.202 708 N HA -0.147 4.593 4.740 -0.000 0.000 0.197 708 N C 1.423 176.949 175.510 0.026 0.000 0.995 708 N CA 1.297 54.346 53.050 -0.002 0.000 0.894 708 N CB -0.720 37.747 38.487 -0.033 0.000 1.010 708 N HN 0.206 nan 8.380 nan 0.000 0.453 709 V N -0.539 119.382 119.914 0.012 0.000 2.255 709 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 709 V C 1.598 177.843 176.094 0.252 0.000 1.038 709 V CA 1.283 63.632 62.300 0.081 0.000 1.008 709 V CB -0.690 31.142 31.823 0.016 0.000 0.645 709 V HN 0.252 nan 8.190 nan 0.000 0.449 710 Y N 0.734 121.051 120.300 0.028 0.000 2.421 710 Y HA 0.003 4.553 4.550 -0.000 0.000 0.292 710 Y C 1.989 177.912 175.900 0.040 0.000 1.136 710 Y CA 0.469 58.594 58.100 0.042 0.000 1.255 710 Y CB -0.563 37.921 38.460 0.039 0.000 0.991 710 Y HN 0.365 nan 8.280 nan 0.000 0.552 711 N N -0.324 118.489 118.700 0.188 0.000 2.238 711 N HA 0.237 4.977 4.740 -0.000 0.000 0.222 711 N C -0.024 175.537 175.510 0.084 0.000 1.133 711 N CA 0.175 53.292 53.050 0.111 0.000 0.854 711 N CB 0.461 38.997 38.487 0.081 0.000 1.041 711 N HN 0.019 nan 8.380 nan 0.000 0.510 712 A N 0.282 123.160 122.820 0.097 0.000 2.306 712 A HA 0.441 4.761 4.320 -0.000 0.000 0.314 712 A C 0.569 178.202 177.584 0.082 0.000 1.164 712 A CA -0.400 51.684 52.037 0.077 0.000 0.822 712 A CB 0.794 19.838 19.000 0.074 0.000 1.130 712 A HN 0.104 nan 8.150 nan 0.000 0.496 713 S N 0.610 116.350 115.700 0.067 0.000 2.560 713 S HA 0.304 4.774 4.470 -0.000 0.000 0.284 713 S C 0.311 174.966 174.600 0.092 0.000 1.327 713 S CA 0.294 58.533 58.200 0.066 0.000 1.055 713 S CB -0.284 62.945 63.200 0.049 0.000 0.868 713 S HN 1.132 nan 8.310 nan 0.000 0.506 714 I N 1.896 122.522 120.570 0.093 0.000 2.900 714 I HA 0.394 4.564 4.170 -0.000 0.000 0.331 714 I C -0.551 175.609 176.117 0.072 0.000 1.427 714 I CA -0.643 60.739 61.300 0.136 0.000 0.836 714 I CB 0.514 38.642 38.000 0.214 0.000 2.115 714 I HN 0.514 nan 8.210 nan 0.000 0.578 715 T N -2.113 112.476 114.554 0.058 0.000 2.881 715 T HA 0.473 4.823 4.350 -0.000 0.000 0.291 715 T C -0.458 174.266 174.700 0.040 0.000 0.990 715 T CA -0.492 61.627 62.100 0.031 0.000 0.976 715 T CB 1.919 70.796 68.868 0.015 0.000 0.970 715 T HN 0.280 nan 8.240 nan 0.000 0.438 716 E N 3.175 123.399 120.200 0.040 0.000 2.081 716 E HA 0.108 4.458 4.350 -0.000 0.000 0.270 716 E C 1.080 177.688 176.600 0.013 0.000 1.180 716 E CA -0.369 56.052 56.400 0.036 0.000 0.926 716 E CB 0.253 29.983 29.700 0.050 0.000 1.035 716 E HN 0.605 nan 8.360 nan 0.000 0.418 717 N N 1.921 120.623 118.700 0.003 0.000 2.501 717 N HA -0.069 4.671 4.740 -0.000 0.000 0.195 717 N C -0.412 175.078 175.510 -0.034 0.000 1.213 717 N CA 0.118 53.163 53.050 -0.009 0.000 0.864 717 N CB -0.020 38.464 38.487 -0.005 0.000 0.999 717 N HN 0.328 nan 8.380 nan 0.000 0.454 718 S N -1.153 114.515 115.700 -0.054 0.000 2.683 718 S HA 0.198 4.668 4.470 -0.000 0.000 0.264 718 S C 0.303 174.827 174.600 -0.127 0.000 1.066 718 S CA -0.783 57.339 58.200 -0.130 0.000 0.846 718 S CB -0.474 62.580 63.200 -0.243 0.000 1.114 718 S HN 0.007 nan 8.310 nan 0.000 0.476 719 F N 0.296 120.130 119.950 -0.194 0.000 2.149 719 F HA 0.339 4.865 4.527 -0.000 0.000 0.294 719 F C 1.816 177.478 175.800 -0.231 0.000 1.095 719 F CA 0.497 58.369 58.000 -0.213 0.000 1.276 719 F CB -1.151 37.670 39.000 -0.298 0.000 1.023 719 F HN 0.440 nan 8.300 nan 0.000 0.480 720 F N 0.746 120.223 119.950 -0.788 0.000 2.204 720 F HA -0.273 4.254 4.527 -0.000 0.000 0.301 720 F C 2.238 177.434 175.800 -1.007 0.000 1.058 720 F CA 1.490 58.998 58.000 -0.819 0.000 1.313 720 F CB -0.813 37.660 39.000 -0.879 0.000 1.051 720 F HN 0.102 nan 8.300 nan 0.000 0.505 721 M N -1.459 117.934 119.600 -0.347 0.000 2.447 721 M HA -0.003 4.477 4.480 -0.000 0.000 0.266 721 M C 2.126 178.448 176.300 0.037 0.000 1.120 721 M CA 1.135 56.321 55.300 -0.190 0.000 1.166 721 M CB -1.518 31.048 32.600 -0.056 0.000 1.349 721 M HN -0.010 nan 8.290 nan 0.000 0.463 722 T N 0.752 115.354 114.554 0.080 0.000 2.788 722 T HA -0.123 4.226 4.350 -0.000 0.000 0.268 722 T C 1.576 176.422 174.700 0.243 0.000 1.044 722 T CA 1.123 63.315 62.100 0.154 0.000 1.139 722 T CB -0.444 68.509 68.868 0.142 0.000 0.867 722 T HN 0.196 nan 8.240 nan 0.000 0.454 723 F N 1.785 121.797 119.950 0.103 0.000 2.014 723 F HA -0.096 4.431 4.527 -0.000 0.000 0.295 723 F C 1.884 177.878 175.800 0.323 0.000 1.145 723 F CA 1.246 59.363 58.000 0.195 0.000 1.178 723 F CB -0.569 38.543 39.000 0.188 0.000 0.972 723 F HN 0.014 nan 8.300 nan 0.000 0.476 724 F N 1.007 121.201 119.950 0.406 0.000 2.135 724 F HA -0.304 4.223 4.527 -0.000 0.000 0.300 724 F C 2.684 178.564 175.800 0.132 0.000 1.074 724 F CA 1.912 60.035 58.000 0.204 0.000 1.262 724 F CB -1.535 37.570 39.000 0.174 0.000 1.013 724 F HN 0.134 nan 8.300 nan 0.000 0.489 725 R N 0.013 120.719 120.500 0.343 0.000 2.055 725 R HA -0.081 4.259 4.340 -0.000 0.000 0.226 725 R C 2.405 178.819 176.300 0.191 0.000 1.135 725 R CA 1.423 57.672 56.100 0.249 0.000 0.959 725 R CB -0.421 30.024 30.300 0.241 0.000 0.854 725 R HN 0.143 nan 8.270 nan 0.000 0.431 726 S N 0.283 116.072 115.700 0.148 0.000 2.387 726 S HA -0.192 4.278 4.470 -0.000 0.000 0.230 726 S C 1.390 176.016 174.600 0.044 0.000 1.035 726 S CA 1.471 59.719 58.200 0.080 0.000 1.014 726 S CB -0.415 62.810 63.200 0.042 0.000 0.836 726 S HN 0.376 nan 8.310 nan 0.000 0.466 727 Y N 1.886 122.103 120.300 -0.139 0.000 2.337 727 Y HA -0.090 4.460 4.550 -0.000 0.000 0.247 727 Y C 2.118 177.986 175.900 -0.053 0.000 1.036 727 Y CA 1.367 59.368 58.100 -0.165 0.000 1.041 727 Y CB -0.750 37.552 38.460 -0.263 0.000 1.021 727 Y HN 0.067 nan 8.280 nan 0.000 0.473 728 I N 0.580 121.363 120.570 0.354 0.000 2.141 728 I HA -0.378 3.792 4.170 -0.000 0.000 0.243 728 I C 1.728 177.906 176.117 0.102 0.000 1.035 728 I CA 1.473 62.889 61.300 0.193 0.000 1.302 728 I CB -0.844 37.234 38.000 0.130 0.000 1.006 728 I HN 0.319 nan 8.210 nan 0.000 0.413 729 I N 0.000 120.646 120.570 0.126 0.000 2.984 729 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 729 I CA 0.000 61.402 61.300 0.170 0.000 1.566 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