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 3f7f_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 DNSYLKCLTR FFSRSSKSDY DSVISCKLFH ERYLIVLTQN CHLKIWDLTS DATA SEQUENCE FTLIQDYDMV SQSDSDPSHF RKVEAVGEYL SLYNNTLVTL LPLENGLFQM DATA SEQUENCE GTLLVXXXXX 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 A N 0.090 122.916 122.820 0.010 0.000 2.253 2 A HA 0.552 4.872 4.320 -0.000 0.000 0.316 2 A C 0.621 178.187 177.584 -0.032 0.000 1.327 2 A CA -0.378 51.649 52.037 -0.017 0.000 0.917 2 A CB 0.103 19.083 19.000 -0.032 0.000 1.162 2 A HN 0.709 nan 8.150 nan 0.000 0.535 3 C N 2.304 121.575 119.300 -0.048 0.000 2.912 3 C HA 0.370 4.830 4.460 -0.000 0.000 0.274 3 C C 0.427 175.353 174.990 -0.108 0.000 1.248 3 C CA 0.094 59.070 59.018 -0.069 0.000 1.694 3 C CB -1.533 26.166 27.740 -0.068 0.000 2.024 3 C HN 0.716 nan 8.230 nan 0.000 0.605 4 L N 0.801 121.962 121.223 -0.104 0.000 2.333 4 L HA 0.575 4.915 4.340 -0.000 0.000 0.269 4 L C 0.280 177.063 176.870 -0.146 0.000 1.010 4 L CA 0.305 55.082 54.840 -0.105 0.000 0.818 4 L CB 1.639 43.686 42.059 -0.021 0.000 1.306 4 L HN 0.100 nan 8.230 nan 0.000 0.430 5 S N 0.375 115.973 115.700 -0.171 0.000 2.677 5 S HA 0.777 5.247 4.470 -0.000 0.000 0.304 5 S C -0.642 173.798 174.600 -0.267 0.000 1.108 5 S CA -0.976 57.047 58.200 -0.296 0.000 0.944 5 S CB 1.940 64.954 63.200 -0.310 0.000 1.127 5 S HN 0.557 nan 8.310 nan 0.000 0.511 6 R N 0.745 121.042 120.500 -0.337 0.000 2.294 6 R HA 0.542 4.882 4.340 -0.000 0.000 0.319 6 R C -1.279 174.852 176.300 -0.281 0.000 0.984 6 R CA -0.638 55.155 56.100 -0.511 0.000 0.861 6 R CB 0.428 30.422 30.300 -0.510 0.000 1.104 6 R HN 0.642 nan 8.270 nan 0.000 0.451 7 I N 4.426 124.830 120.570 -0.275 0.000 2.420 7 I HA 0.243 4.413 4.170 -0.000 0.000 0.282 7 I C -0.689 175.356 176.117 -0.120 0.000 1.019 7 I CA -0.794 60.413 61.300 -0.155 0.000 1.130 7 I CB 1.341 39.258 38.000 -0.138 0.000 1.262 7 I HN 0.580 nan 8.210 nan 0.000 0.454 8 D N 5.620 125.973 120.400 -0.078 0.000 2.264 8 D HA 0.504 5.144 4.640 -0.000 0.000 0.250 8 D C 0.096 176.396 176.300 0.000 0.000 1.113 8 D CA 0.007 53.992 54.000 -0.025 0.000 0.871 8 D CB 2.367 43.161 40.800 -0.011 0.000 1.167 8 D HN 0.587 nan 8.370 nan 0.000 0.447 9 A N 3.063 125.924 122.820 0.070 0.000 2.291 9 A HA 0.291 4.611 4.320 -0.000 0.000 0.311 9 A C -0.205 177.469 177.584 0.150 0.000 1.224 9 A CA -0.796 51.296 52.037 0.093 0.000 0.821 9 A CB 0.611 19.717 19.000 0.177 0.000 1.172 9 A HN 0.441 nan 8.150 nan 0.000 0.494 10 N N 3.862 122.604 118.700 0.070 0.000 2.621 10 N HA 0.200 4.940 4.740 -0.000 0.000 0.237 10 N C 0.634 176.177 175.510 0.055 0.000 0.997 10 N CA -0.389 52.724 53.050 0.106 0.000 0.918 10 N CB 0.758 39.294 38.487 0.081 0.000 1.122 10 N HN 0.671 nan 8.380 nan 0.000 0.510 11 L N 2.408 123.724 121.223 0.155 0.000 2.369 11 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 11 L C 1.351 178.253 176.870 0.054 0.000 1.119 11 L CA 1.206 56.118 54.840 0.120 0.000 0.780 11 L CB -0.094 42.094 42.059 0.214 0.000 0.906 11 L HN 0.555 nan 8.230 nan 0.000 0.442 12 L N -1.268 119.964 121.223 0.015 0.000 2.808 12 L HA 0.071 4.411 4.340 -0.000 0.000 0.246 12 L C 2.109 178.992 176.870 0.022 0.000 1.153 12 L CA -0.137 54.748 54.840 0.076 0.000 0.956 12 L CB -0.011 42.027 42.059 -0.035 0.000 1.270 12 L HN 0.203 nan 8.230 nan 0.000 0.528 13 Q N 0.763 120.486 119.800 -0.127 0.000 2.096 13 Q HA -0.252 4.087 4.340 -0.000 0.000 0.208 13 Q C 1.624 177.471 176.000 -0.256 0.000 0.993 13 Q CA 2.231 57.905 55.803 -0.214 0.000 0.862 13 Q CB -0.104 28.437 28.738 -0.328 0.000 0.915 13 Q HN 0.458 nan 8.270 nan 0.000 0.416 14 Y N -1.032 119.019 120.300 -0.415 0.000 2.639 14 Y HA -0.020 4.530 4.550 -0.000 0.000 0.297 14 Y C -0.110 175.236 175.900 -0.924 0.000 1.151 14 Y CA 0.128 57.806 58.100 -0.704 0.000 1.335 14 Y CB -0.322 37.602 38.460 -0.893 0.000 0.994 14 Y HN 0.110 nan 8.280 nan 0.000 0.548 15 Y N -0.952 119.239 120.300 -0.182 0.000 2.528 15 Y HA 0.303 4.853 4.550 -0.000 0.000 0.335 15 Y C 1.447 177.262 175.900 -0.141 0.000 1.093 15 Y CA -1.479 56.438 58.100 -0.305 0.000 1.134 15 Y CB 0.930 38.908 38.460 -0.803 0.000 1.253 15 Y HN -0.185 nan 8.280 nan 0.000 0.478 16 E N 0.396 120.639 120.200 0.072 0.000 2.051 16 E HA -0.033 4.317 4.350 -0.000 0.000 0.189 16 E C 0.116 176.785 176.600 0.116 0.000 0.979 16 E CA 0.541 56.981 56.400 0.067 0.000 0.803 16 E CB 0.232 29.968 29.700 0.060 0.000 0.761 16 E HN 0.275 nan 8.360 nan 0.000 0.451 17 K N 2.094 122.600 120.400 0.177 0.000 2.382 17 K HA 0.018 4.338 4.320 -0.000 0.000 0.286 17 K C -2.119 174.585 176.600 0.173 0.000 1.062 17 K CA -1.252 55.140 56.287 0.175 0.000 1.000 17 K CB 0.737 33.354 32.500 0.196 0.000 0.954 17 K HN 0.144 nan 8.250 nan 0.000 0.470 18 P HA -0.016 nan 4.420 nan 0.000 0.254 18 P C -1.052 176.277 177.300 0.048 0.000 1.631 18 P CA 0.154 63.313 63.100 0.098 0.000 0.861 18 P CB -0.192 31.580 31.700 0.121 0.000 1.663 19 E N -1.304 118.899 120.200 0.004 0.000 2.649 19 E HA 0.334 4.684 4.350 -0.000 0.000 0.308 19 E C -3.372 173.117 176.600 -0.186 0.000 1.017 19 E CA -2.091 54.258 56.400 -0.086 0.000 0.848 19 E CB -0.024 29.671 29.700 -0.009 0.000 1.240 19 E HN -0.171 nan 8.360 nan 0.000 0.421 20 P HA 0.016 nan 4.420 nan 0.000 0.267 20 P C -0.037 177.051 177.300 -0.354 0.000 1.201 20 P CA -0.049 62.747 63.100 -0.506 0.000 0.775 20 P CB 0.565 32.034 31.700 -0.385 0.000 0.854 21 N N 1.327 119.773 118.700 -0.422 0.000 2.333 21 N HA -0.094 4.646 4.740 -0.000 0.000 0.178 21 N C 0.362 175.781 175.510 -0.152 0.000 1.018 21 N CA 0.578 53.491 53.050 -0.228 0.000 0.882 21 N CB -0.341 38.024 38.487 -0.203 0.000 0.984 21 N HN 0.270 nan 8.380 nan 0.000 0.434 22 N N 0.118 118.714 118.700 -0.174 0.000 2.602 22 N HA 0.136 4.875 4.740 -0.000 0.000 0.238 22 N C -1.692 173.766 175.510 -0.087 0.000 1.084 22 N CA 0.138 53.123 53.050 -0.109 0.000 0.952 22 N CB 0.131 38.556 38.487 -0.102 0.000 1.244 22 N HN -0.091 nan 8.380 nan 0.000 0.512 23 T N 2.660 117.184 114.554 -0.050 0.000 2.890 23 T HA 0.354 4.704 4.350 -0.000 0.000 0.295 23 T C -0.521 174.186 174.700 0.012 0.000 0.993 23 T CA -0.681 61.410 62.100 -0.015 0.000 0.979 23 T CB 0.814 69.683 68.868 0.002 0.000 0.967 23 T HN 0.258 nan 8.240 nan 0.000 0.441 24 V N 0.508 120.432 119.914 0.017 0.000 2.547 24 V HA 0.684 4.804 4.120 -0.000 0.000 0.299 24 V C -0.652 175.492 176.094 0.082 0.000 1.040 24 V CA -0.809 61.525 62.300 0.056 0.000 0.913 24 V CB 1.885 33.742 31.823 0.058 0.000 0.992 24 V HN 0.712 nan 8.190 nan 0.000 0.449 25 D N 4.940 125.424 120.400 0.141 0.000 2.441 25 D HA 0.452 5.092 4.640 -0.000 0.000 0.231 25 D C -0.485 175.936 176.300 0.201 0.000 1.073 25 D CA -0.029 54.070 54.000 0.165 0.000 0.850 25 D CB 2.030 43.008 40.800 0.297 0.000 1.062 25 D HN 0.539 nan 8.370 nan 0.000 0.524 26 L N 2.660 123.915 121.223 0.054 0.000 2.292 26 L HA 0.332 4.672 4.340 -0.000 0.000 0.284 26 L C -0.530 176.452 176.870 0.187 0.000 1.065 26 L CA -0.674 54.196 54.840 0.050 0.000 0.806 26 L CB 0.439 42.249 42.059 -0.416 0.000 1.175 26 L HN 0.215 nan 8.230 nan 0.000 0.431 27 Y N 1.764 122.250 120.300 0.309 0.000 2.446 27 Y HA 0.522 5.072 4.550 -0.000 0.000 0.338 27 Y C 0.128 176.115 175.900 0.145 0.000 1.055 27 Y CA -0.831 57.411 58.100 0.236 0.000 1.101 27 Y CB 2.005 40.519 38.460 0.091 0.000 1.221 27 Y HN 0.142 nan 8.280 nan 0.000 0.460 28 V N 2.650 122.584 119.914 0.033 0.000 2.513 28 V HA 0.481 4.601 4.120 -0.000 0.000 0.299 28 V C -0.067 175.864 176.094 -0.272 0.000 1.035 28 V CA -0.849 61.140 62.300 -0.517 0.000 0.889 28 V CB 1.704 33.199 31.823 -0.547 0.000 0.988 28 V HN 0.939 nan 8.190 nan 0.000 0.440 54 S N 0.843 116.486 115.700 -0.095 0.000 2.506 54 S HA 0.226 4.696 4.470 -0.000 0.000 0.245 54 S C 0.934 175.192 174.600 -0.571 0.000 1.088 54 S CA -0.217 57.866 58.200 -0.196 0.000 1.099 54 S CB 0.834 63.997 63.200 -0.062 0.000 0.805 54 S HN 0.762 nan 8.310 nan 0.000 0.461 55 E N 0.405 120.266 120.200 -0.564 0.000 2.500 55 E HA 0.246 4.596 4.350 -0.000 0.000 0.217 55 E C -0.686 175.594 176.600 -0.533 0.000 0.848 55 E CA -0.112 55.885 56.400 -0.672 0.000 1.217 55 E CB 0.736 30.225 29.700 -0.352 0.000 1.217 55 E HN 0.390 nan 8.360 nan 0.000 0.573 56 Y N 0.146 120.145 120.300 -0.501 0.000 2.521 56 Y HA 0.439 4.989 4.550 -0.000 0.000 0.328 56 Y C -1.827 173.812 175.900 -0.436 0.000 1.151 56 Y CA -0.674 57.214 58.100 -0.354 0.000 1.054 56 Y CB 1.711 40.059 38.460 -0.186 0.000 1.338 56 Y HN 0.004 nan 8.280 nan 0.000 0.453 57 S N 5.226 120.128 115.700 -1.329 0.000 2.535 57 S HA 0.697 5.167 4.470 -0.000 0.000 0.272 57 S C -2.005 171.826 174.600 -1.283 0.000 1.149 57 S CA -0.810 56.592 58.200 -1.329 0.000 0.888 57 S CB 2.265 64.480 63.200 -1.643 0.000 1.110 57 S HN 0.772 nan 8.310 nan 0.000 0.463 58 N N -0.318 117.638 118.700 -1.240 0.000 2.934 58 N HA 0.591 5.331 4.740 -0.000 0.000 0.253 58 N C -1.970 173.112 175.510 -0.713 0.000 1.466 58 N CA -0.292 52.229 53.050 -0.883 0.000 0.858 58 N CB 2.043 40.075 38.487 -0.758 0.000 1.459 58 N HN 0.805 nan 8.380 nan 0.000 0.532 59 C N 1.503 120.630 119.300 -0.289 0.000 2.396 59 C HA 0.650 5.110 4.460 -0.000 0.000 0.321 59 C C -0.571 174.505 174.990 0.144 0.000 1.233 59 C CA -0.603 58.381 59.018 -0.056 0.000 1.440 59 C CB 0.346 28.070 27.740 -0.028 0.000 2.110 59 C HN 0.552 nan 8.230 nan 0.000 0.473 60 L N 4.831 126.192 121.223 0.230 0.000 2.346 60 L HA 0.751 5.091 4.340 -0.000 0.000 0.276 60 L C -0.606 176.317 176.870 0.090 0.000 1.006 60 L CA -0.365 54.595 54.840 0.200 0.000 0.817 60 L CB 1.313 43.502 42.059 0.216 0.000 1.272 60 L HN 0.588 nan 8.230 nan 0.000 0.421 61 L N 5.025 126.206 121.223 -0.071 0.000 2.395 61 L HA 0.536 4.876 4.340 -0.000 0.000 0.269 61 L C -0.647 176.106 176.870 -0.195 0.000 1.133 61 L CA 0.262 54.864 54.840 -0.396 0.000 0.812 61 L CB 0.722 42.500 42.059 -0.469 0.000 1.125 61 L HN 0.678 nan 8.230 nan 0.000 0.452 62 L N 2.024 123.126 121.223 -0.201 0.000 2.422 62 L HA 0.488 4.828 4.340 -0.000 0.000 0.263 62 L C 1.335 178.138 176.870 -0.112 0.000 1.110 62 L CA -0.715 54.069 54.840 -0.093 0.000 1.065 62 L CB 0.857 42.918 42.059 0.005 0.000 1.701 62 L HN 0.599 nan 8.230 nan 0.000 0.548 63 S N 0.391 116.048 115.700 -0.072 0.000 2.371 63 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 63 S C 1.205 175.740 174.600 -0.107 0.000 1.029 63 S CA 1.297 59.450 58.200 -0.078 0.000 0.978 63 S CB -0.429 62.743 63.200 -0.047 0.000 0.833 63 S HN 0.752 nan 8.310 nan 0.000 0.466 64 N N 1.157 119.778 118.700 -0.133 0.000 2.501 64 N HA 0.113 4.853 4.740 -0.000 0.000 0.195 64 N C 0.058 175.455 175.510 -0.189 0.000 1.213 64 N CA 0.444 53.385 53.050 -0.181 0.000 0.864 64 N CB -0.456 37.858 38.487 -0.289 0.000 0.999 64 N HN 0.064 nan 8.380 nan 0.000 0.454 65 S N -1.454 114.134 115.700 -0.186 0.000 3.380 65 S HA -0.161 4.308 4.470 -0.000 0.000 0.300 65 S C -0.263 174.211 174.600 -0.210 0.000 1.255 65 S CA 0.800 58.880 58.200 -0.200 0.000 0.963 65 S CB -1.019 62.103 63.200 -0.130 0.000 1.106 65 S HN 0.573 nan 8.310 nan 0.000 0.629 66 E N -0.447 119.622 120.200 -0.219 0.000 2.227 66 E HA 0.512 4.861 4.350 -0.000 0.000 0.268 66 E C -0.588 175.940 176.600 -0.121 0.000 0.990 66 E CA -0.364 55.965 56.400 -0.119 0.000 0.856 66 E CB 0.722 30.300 29.700 -0.202 0.000 1.159 66 E HN 0.348 nan 8.360 nan 0.000 0.401 67 Y N 0.744 121.081 120.300 0.062 0.000 2.335 67 Y HA 0.346 4.896 4.550 -0.000 0.000 0.338 67 Y C 0.040 175.996 175.900 0.094 0.000 0.977 67 Y CA -0.720 57.409 58.100 0.047 0.000 1.114 67 Y CB 1.275 39.726 38.460 -0.016 0.000 1.182 67 Y HN 0.332 nan 8.280 nan 0.000 0.463 68 I N 3.396 124.107 120.570 0.234 0.000 2.441 68 I HA 0.536 4.706 4.170 -0.000 0.000 0.295 68 I C -1.042 175.117 176.117 0.069 0.000 0.994 68 I CA -0.558 60.838 61.300 0.160 0.000 1.144 68 I CB 0.607 38.712 38.000 0.175 0.000 1.314 68 I HN 0.620 nan 8.210 nan 0.000 0.445 69 C N 6.960 126.151 119.300 -0.182 0.000 2.391 69 C HA 0.752 5.211 4.460 -0.000 0.000 0.339 69 C C -0.915 173.869 174.990 -0.344 0.000 1.205 69 C CA -0.487 58.288 59.018 -0.405 0.000 1.937 69 C CB 0.599 27.799 27.740 -0.899 0.000 2.341 69 C HN 0.691 nan 8.230 nan 0.000 0.516 70 Y N -0.485 119.610 120.300 -0.340 0.000 2.492 70 Y HA 0.682 5.232 4.550 -0.000 0.000 0.346 70 Y C -0.647 175.104 175.900 -0.249 0.000 0.997 70 Y CA -0.948 56.865 58.100 -0.478 0.000 1.025 70 Y CB 0.850 38.894 38.460 -0.694 0.000 1.263 70 Y HN 0.697 nan 8.280 nan 0.000 0.454 71 H N 3.797 122.703 119.070 -0.273 0.000 2.589 71 H HA 0.361 4.916 4.556 -0.000 0.000 0.351 71 H C -1.808 173.516 175.328 -0.006 0.000 1.074 71 H CA -0.898 55.046 56.048 -0.174 0.000 1.203 71 H CB 2.543 32.188 29.762 -0.195 0.000 1.558 71 H HN 0.827 nan 8.280 nan 0.000 0.522 72 F N 3.395 123.328 119.950 -0.028 0.000 2.385 72 F HA 0.108 4.635 4.527 -0.000 0.000 0.360 72 F C 0.959 176.708 175.800 -0.084 0.000 1.122 72 F CA -0.880 57.095 58.000 -0.042 0.000 1.090 72 F CB 0.905 39.904 39.000 -0.003 0.000 1.150 72 F HN 0.562 nan 8.300 nan 0.000 0.472 73 S N 3.257 118.991 115.700 0.056 0.000 2.589 73 S HA -0.068 4.402 4.470 -0.000 0.000 0.256 73 S C 1.183 175.642 174.600 -0.234 0.000 1.383 73 S CA -0.011 58.128 58.200 -0.101 0.000 0.983 73 S CB 1.157 64.304 63.200 -0.088 0.000 0.908 73 S HN 0.750 nan 8.310 nan 0.000 0.572 74 S N 1.380 116.967 115.700 -0.189 0.000 2.353 74 S HA -0.114 4.356 4.470 -0.000 0.000 0.222 74 S C 1.860 176.323 174.600 -0.228 0.000 1.035 74 S CA 1.513 59.594 58.200 -0.198 0.000 1.025 74 S CB -0.515 62.613 63.200 -0.120 0.000 0.902 74 S HN 0.729 nan 8.310 nan 0.000 0.440 75 R N 1.273 121.656 120.500 -0.195 0.000 2.339 75 R HA 0.159 4.499 4.340 -0.000 0.000 0.199 75 R C 0.435 176.550 176.300 -0.308 0.000 1.018 75 R CA 0.457 56.445 56.100 -0.187 0.000 1.036 75 R CB -0.237 29.999 30.300 -0.106 0.000 0.899 75 R HN 0.222 nan 8.270 nan 0.000 0.473 76 S N -0.800 114.553 115.700 -0.578 0.000 3.521 76 S HA -0.172 4.298 4.470 -0.000 0.000 0.328 76 S C 1.069 175.346 174.600 -0.538 0.000 1.165 76 S CA 1.391 58.895 58.200 -1.160 0.000 0.941 76 S CB -1.460 61.235 63.200 -0.842 0.000 0.951 76 S HN 0.742 nan 8.310 nan 0.000 0.539 77 T N -2.750 111.669 114.554 -0.225 0.000 3.001 77 T HA 0.566 4.916 4.350 -0.000 0.000 0.251 77 T C 0.113 174.863 174.700 0.083 0.000 1.040 77 T CA -0.041 62.057 62.100 -0.004 0.000 0.985 77 T CB 0.281 69.147 68.868 -0.002 0.000 1.011 77 T HN 0.329 nan 8.240 nan 0.000 0.509 78 L N 1.029 122.303 121.223 0.086 0.000 2.408 78 L HA 0.806 5.146 4.340 -0.000 0.000 0.268 78 L C -1.774 175.206 176.870 0.182 0.000 0.986 78 L CA -1.235 53.627 54.840 0.037 0.000 0.820 78 L CB 2.222 44.217 42.059 -0.107 0.000 1.303 78 L HN 0.147 nan 8.230 nan 0.000 0.411 79 L N 3.445 124.686 121.223 0.030 0.000 2.341 79 L HA 0.780 5.120 4.340 -0.000 0.000 0.278 79 L C -0.630 176.133 176.870 -0.179 0.000 1.005 79 L CA 0.242 55.031 54.840 -0.084 0.000 0.818 79 L CB 2.161 44.124 42.059 -0.158 0.000 1.259 79 L HN 0.732 nan 8.230 nan 0.000 0.418 80 T N 4.245 118.619 114.554 -0.301 0.000 2.863 80 T HA 0.657 5.006 4.350 -0.000 0.000 0.285 80 T C -1.072 173.360 174.700 -0.447 0.000 1.009 80 T CA -0.169 61.791 62.100 -0.233 0.000 0.989 80 T CB 0.912 69.696 68.868 -0.139 0.000 1.004 80 T HN 0.186 nan 8.240 nan 0.000 0.455 81 F N 2.605 122.558 119.950 0.006 0.000 2.540 81 F HA 0.688 5.215 4.527 -0.000 0.000 0.317 81 F C -0.663 175.167 175.800 0.051 0.000 1.104 81 F CA -0.967 57.018 58.000 -0.025 0.000 0.913 81 F CB 1.820 40.784 39.000 -0.060 0.000 1.170 81 F HN 0.655 nan 8.300 nan 0.000 0.450 82 Y N 1.242 121.635 120.300 0.154 0.000 2.565 82 Y HA 0.607 5.157 4.550 -0.000 0.000 0.330 82 Y C -3.489 172.491 175.900 0.133 0.000 1.150 82 Y CA -3.438 54.731 58.100 0.115 0.000 1.055 82 Y CB 1.104 39.664 38.460 0.166 0.000 1.337 82 Y HN 0.260 nan 8.280 nan 0.000 0.457 83 P HA 0.080 nan 4.420 nan 0.000 0.282 83 P C 0.589 178.114 177.300 0.375 0.000 1.262 83 P CA -0.277 63.013 63.100 0.318 0.000 0.773 83 P CB 2.202 34.114 31.700 0.354 0.000 0.879 84 L N 4.664 126.028 121.223 0.235 0.000 2.013 84 L HA -0.230 4.109 4.340 -0.000 0.000 0.212 84 L C 2.276 179.227 176.870 0.135 0.000 1.073 84 L CA 2.858 57.759 54.840 0.101 0.000 0.753 84 L CB -1.107 40.872 42.059 -0.134 0.000 0.890 84 L HN 0.471 nan 8.230 nan 0.000 0.432 85 S N -2.655 113.154 115.700 0.182 0.000 2.562 85 S HA -0.014 4.456 4.470 -0.000 0.000 0.221 85 S C 0.813 175.509 174.600 0.161 0.000 0.975 85 S CA 0.503 58.803 58.200 0.168 0.000 0.918 85 S CB -0.183 63.105 63.200 0.147 0.000 0.772 85 S HN 0.555 nan 8.310 nan 0.000 0.531 86 D N 0.207 120.738 120.400 0.218 0.000 3.060 86 D HA 0.582 5.222 4.640 -0.000 0.000 0.326 86 D C 0.816 177.237 176.300 0.203 0.000 1.253 86 D CA 0.145 54.281 54.000 0.227 0.000 0.737 86 D CB 0.559 41.505 40.800 0.242 0.000 1.260 86 D HN 0.163 nan 8.370 nan 0.000 0.542 87 A N 0.466 123.394 122.820 0.180 0.000 1.930 87 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 87 A C 1.799 179.315 177.584 -0.113 0.000 1.175 87 A CA 1.072 53.148 52.037 0.065 0.000 0.627 87 A CB -0.566 18.435 19.000 0.000 0.000 0.815 87 A HN 0.520 nan 8.150 nan 0.000 0.443 88 Y N -0.102 120.027 120.300 -0.285 0.000 2.114 88 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 88 Y C 2.597 178.202 175.900 -0.492 0.000 1.119 88 Y CA 2.127 59.883 58.100 -0.573 0.000 1.108 88 Y CB -0.324 37.463 38.460 -1.121 0.000 0.995 88 Y HN 0.458 nan 8.280 nan 0.000 0.491 89 H N -0.502 118.516 119.070 -0.086 0.000 2.482 89 H HA 0.159 4.715 4.556 -0.000 0.000 0.286 89 H C 1.262 176.549 175.328 -0.068 0.000 1.017 89 H CA 0.613 56.592 56.048 -0.114 0.000 1.322 89 H CB -0.744 29.046 29.762 0.047 0.000 1.426 89 H HN 0.339 nan 8.280 nan 0.000 0.546 90 G N 0.993 109.850 108.800 0.095 0.000 2.699 90 G HA2 0.113 4.073 3.960 -0.000 0.000 0.246 90 G HA3 0.113 4.073 3.960 -0.000 0.000 0.246 90 G C -0.080 174.823 174.900 0.005 0.000 1.219 90 G CA -0.496 44.657 45.100 0.090 0.000 0.866 90 G HN 0.175 nan 8.290 nan 0.000 0.572 91 K N -0.389 120.000 120.400 -0.018 0.000 2.211 91 K HA 0.426 4.746 4.320 -0.000 0.000 0.275 91 K C 0.124 176.717 176.600 -0.011 0.000 1.024 91 K CA -0.488 55.758 56.287 -0.068 0.000 0.887 91 K CB 0.822 33.221 32.500 -0.169 0.000 1.084 91 K HN 0.565 nan 8.250 nan 0.000 0.463 92 T N 2.406 116.982 114.554 0.036 0.000 2.829 92 T HA 0.480 4.830 4.350 -0.000 0.000 0.282 92 T C 0.049 174.788 174.700 0.066 0.000 0.990 92 T CA -0.824 61.357 62.100 0.135 0.000 1.028 92 T CB 0.390 69.387 68.868 0.215 0.000 0.951 92 T HN 0.464 nan 8.240 nan 0.000 0.460 93 I N 3.541 124.175 120.570 0.106 0.000 2.355 93 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 93 I C -0.212 175.971 176.117 0.110 0.000 0.999 93 I CA -1.061 60.296 61.300 0.095 0.000 1.163 93 I CB 1.309 39.376 38.000 0.111 0.000 1.316 93 I HN 0.561 nan 8.210 nan 0.000 0.454 94 N N 7.640 126.346 118.700 0.011 0.000 2.439 94 N HA 0.442 5.182 4.740 -0.000 0.000 0.249 94 N C -0.583 174.815 175.510 -0.188 0.000 1.003 94 N CA -0.226 52.751 53.050 -0.122 0.000 0.942 94 N CB 1.955 40.310 38.487 -0.220 0.000 1.115 94 N HN 0.521 nan 8.380 nan 0.000 0.505 95 I N 3.806 124.302 120.570 -0.123 0.000 2.307 95 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 95 I C 0.670 176.693 176.117 -0.156 0.000 1.054 95 I CA -0.543 60.719 61.300 -0.063 0.000 1.218 95 I CB 0.278 38.349 38.000 0.118 0.000 1.398 95 I HN 0.258 nan 8.210 nan 0.000 0.475 96 H N 6.651 125.625 119.070 -0.159 0.000 2.690 96 H HA 0.449 5.005 4.556 -0.000 0.000 0.365 96 H C -0.315 174.987 175.328 -0.044 0.000 1.142 96 H CA 0.054 56.008 56.048 -0.157 0.000 1.417 96 H CB 1.432 30.955 29.762 -0.397 0.000 1.446 96 H HN 0.390 nan 8.280 nan 0.000 0.599 97 L N 2.744 124.035 121.223 0.113 0.000 2.388 97 L HA 0.210 4.550 4.340 -0.000 0.000 0.264 97 L C -1.193 175.721 176.870 0.072 0.000 0.998 97 L CA -1.901 52.984 54.840 0.074 0.000 0.817 97 L CB 2.462 44.580 42.059 0.097 0.000 1.338 97 L HN 0.419 nan 8.230 nan 0.000 0.414 98 P HA -0.148 nan 4.420 nan 0.000 0.215 98 P C -0.049 177.283 177.300 0.054 0.000 1.157 98 P CA 1.449 64.577 63.100 0.046 0.000 0.874 98 P CB 0.380 32.100 31.700 0.033 0.000 0.790 99 N N -2.511 116.222 118.700 0.055 0.000 2.961 99 N HA 0.354 5.093 4.740 -0.000 0.000 0.245 99 N C -1.216 174.325 175.510 0.051 0.000 1.404 99 N CA -0.339 52.741 53.050 0.049 0.000 0.880 99 N CB 1.783 40.299 38.487 0.048 0.000 1.461 99 N HN -0.036 nan 8.380 nan 0.000 0.510 100 A N 0.646 123.481 122.820 0.025 0.000 2.567 100 A HA 0.266 4.586 4.320 -0.000 0.000 0.236 100 A C 0.790 178.404 177.584 0.050 0.000 1.088 100 A CA 0.539 52.577 52.037 0.000 0.000 0.776 100 A CB -0.425 18.550 19.000 -0.041 0.000 1.033 100 A HN 0.718 nan 8.150 nan 0.000 0.513 101 S N 0.609 116.351 115.700 0.070 0.000 2.655 101 S HA 0.366 4.836 4.470 -0.000 0.000 0.265 101 S C 1.052 175.695 174.600 0.072 0.000 1.240 101 S CA 0.229 58.498 58.200 0.115 0.000 0.986 101 S CB 0.552 63.882 63.200 0.218 0.000 0.985 101 S HN 0.773 nan 8.310 nan 0.000 0.562 102 M N 1.104 120.748 119.600 0.073 0.000 2.065 102 M HA 0.016 4.496 4.480 -0.000 0.000 0.259 102 M C 0.627 176.975 176.300 0.080 0.000 1.071 102 M CA 1.932 57.270 55.300 0.062 0.000 1.109 102 M CB -0.971 31.646 32.600 0.029 0.000 1.313 102 M HN 0.829 nan 8.290 nan 0.000 0.408 103 N N 0.575 119.344 118.700 0.115 0.000 2.765 103 N HA 0.260 5.000 4.740 -0.000 0.000 0.277 103 N C -1.162 174.461 175.510 0.188 0.000 1.750 103 N CA -0.109 53.036 53.050 0.159 0.000 0.827 103 N CB 0.209 38.819 38.487 0.205 0.000 1.200 103 N HN 0.494 nan 8.380 nan 0.000 0.494 104 Q N -0.586 119.258 119.800 0.074 0.000 0.976 104 Q HA -0.354 3.986 4.340 -0.000 0.000 0.388 104 Q C 0.728 176.763 176.000 0.058 0.000 1.040 104 Q CA 1.982 57.768 55.803 -0.029 0.000 0.466 104 Q CB -0.487 28.203 28.738 -0.080 0.000 5.189 104 Q HN 0.671 nan 8.270 nan 0.000 0.463 105 R N -0.476 119.962 120.500 -0.103 0.000 2.397 105 R HA -0.117 4.223 4.340 -0.000 0.000 0.213 105 R C 1.240 177.364 176.300 -0.294 0.000 1.102 105 R CA 2.023 58.028 56.100 -0.158 0.000 1.040 105 R CB -0.408 29.552 30.300 -0.566 0.000 0.844 105 R HN 0.490 nan 8.270 nan 0.000 0.478 106 Y N 0.747 121.054 120.300 0.011 0.000 2.420 106 Y HA 0.027 4.577 4.550 -0.000 0.000 0.292 106 Y C 1.907 177.924 175.900 0.195 0.000 1.119 106 Y CA 1.245 59.395 58.100 0.082 0.000 1.229 106 Y CB -0.105 38.343 38.460 -0.019 0.000 1.026 106 Y HN 0.303 nan 8.280 nan 0.000 0.554 107 T N -1.883 112.814 114.554 0.238 0.000 3.206 107 T HA 0.290 4.640 4.350 -0.000 0.000 0.253 107 T C -0.027 174.723 174.700 0.083 0.000 1.042 107 T CA -0.146 62.051 62.100 0.161 0.000 0.931 107 T CB -0.733 68.207 68.868 0.121 0.000 1.029 107 T HN 0.142 nan 8.240 nan 0.000 0.564 108 L N 0.368 121.618 121.223 0.046 0.000 2.341 108 L HA 0.837 5.177 4.340 -0.000 0.000 0.267 108 L C -0.943 175.871 176.870 -0.093 0.000 1.009 108 L CA -0.415 54.379 54.840 -0.077 0.000 0.819 108 L CB 2.508 44.449 42.059 -0.198 0.000 1.323 108 L HN 0.138 nan 8.230 nan 0.000 0.425 109 T N 3.955 118.421 114.554 -0.147 0.000 2.916 109 T HA 0.676 5.026 4.350 -0.000 0.000 0.305 109 T C -1.296 173.270 174.700 -0.224 0.000 1.119 109 T CA -0.402 61.608 62.100 -0.150 0.000 1.008 109 T CB 1.135 69.954 68.868 -0.082 0.000 1.129 109 T HN 0.505 nan 8.240 nan 0.000 0.480 110 I N 4.346 124.755 120.570 -0.269 0.000 2.560 110 I HA 0.349 4.519 4.170 -0.000 0.000 0.283 110 I C -0.722 175.211 176.117 -0.306 0.000 1.115 110 I CA -0.751 60.370 61.300 -0.297 0.000 1.066 110 I CB 1.693 39.432 38.000 -0.435 0.000 1.221 110 I HN 0.461 nan 8.210 nan 0.000 0.450 111 Q N 4.137 123.724 119.800 -0.354 0.000 2.458 111 Q HA 0.455 4.795 4.340 -0.000 0.000 0.282 111 Q C -0.939 174.918 176.000 -0.238 0.000 1.106 111 Q CA -0.781 54.778 55.803 -0.408 0.000 0.814 111 Q CB 3.167 31.361 28.738 -0.907 0.000 1.425 111 Q HN 0.530 nan 8.270 nan 0.000 0.437 112 E N 1.569 121.668 120.200 -0.168 0.000 2.055 112 E HA 0.241 4.591 4.350 -0.000 0.000 0.274 112 E C 0.695 177.264 176.600 -0.051 0.000 0.949 112 E CA -0.274 56.073 56.400 -0.088 0.000 0.775 112 E CB 0.863 30.528 29.700 -0.058 0.000 1.097 112 E HN 0.522 nan 8.360 nan 0.000 0.404 113 V N 2.585 122.487 119.914 -0.020 0.000 2.267 113 V HA 0.012 4.132 4.120 -0.000 0.000 0.228 113 V C 0.491 176.596 176.094 0.019 0.000 1.040 113 V CA 0.860 63.175 62.300 0.026 0.000 1.010 113 V CB -0.512 31.341 31.823 0.050 0.000 0.649 113 V HN 0.735 nan 8.190 nan 0.000 0.464 114 E N 0.112 120.322 120.200 0.018 0.000 2.373 114 E HA 0.324 4.674 4.350 -0.000 0.000 0.251 114 E C -0.895 175.713 176.600 0.014 0.000 0.923 114 E CA -0.778 55.630 56.400 0.014 0.000 0.798 114 E CB 1.404 31.114 29.700 0.016 0.000 1.303 114 E HN 0.485 nan 8.360 nan 0.000 0.412 115 Q N 0.443 120.251 119.800 0.012 0.000 2.494 115 Q HA -0.239 4.101 4.340 -0.000 0.000 0.266 115 Q C -0.722 175.293 176.000 0.025 0.000 1.053 115 Q CA 1.288 57.104 55.803 0.022 0.000 1.029 115 Q CB -2.099 26.653 28.738 0.024 0.000 1.423 115 Q HN 0.863 nan 8.270 nan 0.000 0.516 116 Q N -0.730 119.077 119.800 0.011 0.000 2.482 116 Q HA 0.614 4.954 4.340 -0.000 0.000 0.286 116 Q C -0.775 175.204 176.000 -0.035 0.000 1.007 116 Q CA -0.836 54.965 55.803 -0.003 0.000 0.801 116 Q CB 1.741 30.485 28.738 0.010 0.000 1.455 116 Q HN 0.191 nan 8.270 nan 0.000 0.398 117 L N 2.797 123.976 121.223 -0.073 0.000 2.264 117 L HA 0.336 4.676 4.340 -0.000 0.000 0.287 117 L C -0.953 175.857 176.870 -0.100 0.000 1.039 117 L CA -0.634 54.132 54.840 -0.123 0.000 0.829 117 L CB 0.688 42.603 42.059 -0.240 0.000 1.211 117 L HN 0.375 nan 8.230 nan 0.000 0.427 118 L N 5.738 126.912 121.223 -0.081 0.000 2.260 118 L HA 0.364 4.703 4.340 -0.000 0.000 0.289 118 L C -0.384 176.438 176.870 -0.080 0.000 1.057 118 L CA -0.006 54.810 54.840 -0.041 0.000 0.811 118 L CB 1.395 43.458 42.059 0.006 0.000 1.184 118 L HN 0.183 nan 8.230 nan 0.000 0.429 119 V N 5.702 125.578 119.914 -0.062 0.000 2.357 119 V HA 0.513 4.633 4.120 -0.000 0.000 0.284 119 V C -0.214 175.806 176.094 -0.123 0.000 1.018 119 V CA -0.794 61.445 62.300 -0.102 0.000 0.841 119 V CB 1.303 33.084 31.823 -0.070 0.000 0.991 119 V HN 0.714 nan 8.190 nan 0.000 0.437 120 N N 3.331 121.923 118.700 -0.181 0.000 2.362 120 N HA 0.704 5.444 4.740 -0.000 0.000 0.298 120 N C -1.103 174.199 175.510 -0.346 0.000 1.048 120 N CA -0.325 52.517 53.050 -0.347 0.000 0.858 120 N CB 2.626 40.923 38.487 -0.317 0.000 1.218 120 N HN 0.395 nan 8.380 nan 0.000 0.488 121 V N 2.984 122.630 119.914 -0.446 0.000 2.555 121 V HA 0.288 4.408 4.120 -0.000 0.000 0.283 121 V C 0.115 176.106 176.094 -0.172 0.000 1.020 121 V CA -0.645 61.516 62.300 -0.232 0.000 0.883 121 V CB 1.224 32.968 31.823 -0.130 0.000 1.030 121 V HN 0.555 nan 8.190 nan 0.000 0.448 122 I N 5.516 126.061 120.570 -0.042 0.000 2.578 122 I HA 0.097 4.266 4.170 -0.000 0.000 0.286 122 I C 0.451 176.610 176.117 0.069 0.000 1.126 122 I CA 0.452 61.813 61.300 0.102 0.000 1.380 122 I CB 0.208 38.256 38.000 0.081 0.000 1.408 122 I HN 0.434 nan 8.210 nan 0.000 0.532 123 L N 6.987 128.266 121.223 0.092 0.000 2.479 123 L HA 0.183 4.522 4.340 -0.000 0.000 0.248 123 L C 1.695 178.620 176.870 0.092 0.000 1.205 123 L CA -0.401 54.493 54.840 0.090 0.000 0.817 123 L CB 0.344 42.457 42.059 0.090 0.000 1.162 123 L HN 0.577 nan 8.230 nan 0.000 0.486 124 K N 0.572 121.020 120.400 0.080 0.000 1.991 124 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 124 K C 1.609 178.268 176.600 0.098 0.000 1.049 124 K CA 2.219 58.552 56.287 0.076 0.000 0.932 124 K CB -0.256 32.280 32.500 0.060 0.000 0.717 124 K HN 0.839 nan 8.250 nan 0.000 0.441 125 D N -1.377 119.083 120.400 0.099 0.000 2.203 125 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 125 D C 1.105 177.499 176.300 0.157 0.000 0.997 125 D CA 1.850 55.916 54.000 0.110 0.000 0.863 125 D CB -0.162 40.695 40.800 0.095 0.000 0.928 125 D HN 0.429 nan 8.370 nan 0.000 0.458 126 G N -1.773 107.148 108.800 0.201 0.000 2.227 126 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.168 126 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.168 126 G C 0.212 175.338 174.900 0.378 0.000 1.006 126 G CA 0.066 45.374 45.100 0.347 0.000 0.684 126 G HN 0.438 nan 8.290 nan 0.000 0.489 127 S N -0.321 115.532 115.700 0.255 0.000 2.600 127 S HA 0.615 5.084 4.470 -0.000 0.000 0.265 127 S C -0.460 174.334 174.600 0.322 0.000 1.325 127 S CA 0.097 58.446 58.200 0.248 0.000 1.002 127 S CB 1.190 64.488 63.200 0.164 0.000 0.921 127 S HN 0.745 nan 8.310 nan 0.000 0.554 128 F N 2.237 122.267 119.950 0.134 0.000 2.531 128 F HA 0.398 4.925 4.527 -0.000 0.000 0.333 128 F C -0.601 175.255 175.800 0.094 0.000 1.292 128 F CA -1.046 57.014 58.000 0.101 0.000 1.184 128 F CB 0.106 39.163 39.000 0.095 0.000 1.426 128 F HN 0.371 nan 8.300 nan 0.000 0.559 129 L N 3.318 124.454 121.223 -0.145 0.000 2.514 129 L HA 0.291 4.631 4.340 -0.000 0.000 0.280 129 L C -0.223 176.515 176.870 -0.220 0.000 1.223 129 L CA 1.025 55.810 54.840 -0.092 0.000 0.864 129 L CB 0.568 42.602 42.059 -0.042 0.000 1.118 129 L HN 0.517 nan 8.230 nan 0.000 0.494 130 T N 6.500 121.058 114.554 0.005 0.000 2.847 130 T HA 0.484 4.834 4.350 -0.000 0.000 0.291 130 T C -0.280 174.531 174.700 0.184 0.000 0.998 130 T CA -0.444 61.681 62.100 0.041 0.000 0.967 130 T CB 0.647 69.579 68.868 0.107 0.000 0.954 130 T HN 0.442 nan 8.240 nan 0.000 0.441 131 L N 3.269 124.561 121.223 0.116 0.000 2.295 131 L HA 0.493 4.833 4.340 -0.000 0.000 0.285 131 L C 0.183 177.147 176.870 0.157 0.000 1.035 131 L CA -0.663 54.292 54.840 0.191 0.000 0.806 131 L CB 1.470 43.617 42.059 0.145 0.000 1.214 131 L HN 0.515 nan 8.230 nan 0.000 0.426 132 Q N 5.321 125.255 119.800 0.224 0.000 2.394 132 Q HA 0.470 4.810 4.340 -0.000 0.000 0.261 132 Q C -1.307 174.754 176.000 0.101 0.000 1.023 132 Q CA -0.356 55.534 55.803 0.146 0.000 0.720 132 Q CB 2.233 31.083 28.738 0.187 0.000 1.241 132 Q HN 0.537 nan 8.270 nan 0.000 0.483 133 L N 4.179 125.393 121.223 -0.014 0.000 2.276 133 L HA 0.456 4.796 4.340 -0.000 0.000 0.286 133 L C -2.325 174.516 176.870 -0.050 0.000 1.024 133 L CA -2.216 52.571 54.840 -0.089 0.000 0.826 133 L CB 1.095 43.017 42.059 -0.229 0.000 1.211 133 L HN 0.215 nan 8.230 nan 0.000 0.422 134 P HA -0.023 nan 4.420 nan 0.000 0.267 134 P C 0.665 178.005 177.300 0.066 0.000 1.209 134 P CA -0.256 62.868 63.100 0.041 0.000 0.763 134 P CB 0.828 32.562 31.700 0.057 0.000 0.816 135 L N 4.454 125.714 121.223 0.061 0.000 2.137 135 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 135 L C 2.181 179.165 176.870 0.190 0.000 1.085 135 L CA 2.525 57.431 54.840 0.111 0.000 0.760 135 L CB -1.153 40.984 42.059 0.129 0.000 0.893 135 L HN 0.419 nan 8.230 nan 0.000 0.434 136 S N -1.234 114.562 115.700 0.161 0.000 2.343 136 S HA -0.289 4.181 4.470 -0.000 0.000 0.219 136 S C 2.096 176.779 174.600 0.138 0.000 1.033 136 S CA 1.197 59.501 58.200 0.174 0.000 1.014 136 S CB -1.440 61.835 63.200 0.126 0.000 0.915 136 S HN 0.413 nan 8.310 nan 0.000 0.435 137 F N 2.799 122.730 119.950 -0.031 0.000 2.141 137 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 137 F C 1.921 177.628 175.800 -0.155 0.000 1.079 137 F CA 1.434 59.381 58.000 -0.088 0.000 1.264 137 F CB -0.514 38.409 39.000 -0.130 0.000 1.011 137 F HN 0.184 nan 8.300 nan 0.000 0.487 138 L N -1.541 119.514 121.223 -0.280 0.000 2.191 138 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 138 L C 1.400 177.789 176.870 -0.802 0.000 1.103 138 L CA 1.008 55.473 54.840 -0.625 0.000 0.769 138 L CB -0.560 41.046 42.059 -0.754 0.000 0.908 138 L HN 0.103 nan 8.230 nan 0.000 0.438 139 F N -1.428 118.452 119.950 -0.116 0.000 2.661 139 F HA 0.146 4.672 4.527 -0.000 0.000 0.306 139 F C 1.612 177.360 175.800 -0.087 0.000 1.094 139 F CA -0.464 57.491 58.000 -0.075 0.000 1.254 139 F CB -0.171 38.811 39.000 -0.029 0.000 1.040 139 F HN -0.056 nan 8.300 nan 0.000 0.562 140 S N -1.215 114.456 115.700 -0.049 0.000 2.546 140 S HA 0.242 4.711 4.470 -0.000 0.000 0.265 140 S C 1.325 175.866 174.600 -0.097 0.000 1.190 140 S CA 0.265 58.437 58.200 -0.047 0.000 1.014 140 S CB 1.118 64.284 63.200 -0.057 0.000 1.087 140 S HN 0.009 nan 8.310 nan 0.000 0.525 141 S N -1.008 114.648 115.700 -0.073 0.000 2.559 141 S HA 0.476 4.945 4.470 -0.000 0.000 0.226 141 S C 0.659 175.212 174.600 -0.077 0.000 1.030 141 S CA 0.097 58.256 58.200 -0.067 0.000 0.956 141 S CB -0.827 62.360 63.200 -0.022 0.000 0.900 141 S HN 1.069 nan 8.310 nan 0.000 0.510 142 A N 1.724 124.504 122.820 -0.067 0.000 2.565 142 A HA 0.213 4.533 4.320 -0.000 0.000 0.237 142 A C 0.431 178.022 177.584 0.010 0.000 1.053 142 A CA 0.309 52.356 52.037 0.018 0.000 0.755 142 A CB -0.143 18.949 19.000 0.154 0.000 0.980 142 A HN 0.553 nan 8.150 nan 0.000 0.506 143 N N 0.091 118.841 118.700 0.082 0.000 2.204 143 N HA 0.188 4.928 4.740 -0.000 0.000 0.219 143 N C -0.750 174.853 175.510 0.155 0.000 1.151 143 N CA 0.298 53.404 53.050 0.093 0.000 0.867 143 N CB 0.954 39.470 38.487 0.048 0.000 1.043 143 N HN 0.584 nan 8.380 nan 0.000 0.516 144 T N 0.065 114.742 114.554 0.206 0.000 2.906 144 T HA 0.551 4.901 4.350 -0.000 0.000 0.295 144 T C -1.547 173.171 174.700 0.030 0.000 1.061 144 T CA -0.515 61.649 62.100 0.105 0.000 1.000 144 T CB 2.246 71.157 68.868 0.071 0.000 1.103 144 T HN -0.163 nan 8.240 nan 0.000 0.486 145 L N 3.021 124.123 121.223 -0.202 0.000 2.438 145 L HA 0.583 4.923 4.340 -0.000 0.000 0.270 145 L C -1.205 175.575 176.870 -0.150 0.000 0.972 145 L CA -0.565 54.007 54.840 -0.447 0.000 0.831 145 L CB 1.752 43.161 42.059 -1.084 0.000 1.273 145 L HN 0.535 nan 8.230 nan 0.000 0.405 146 N N 3.098 121.753 118.700 -0.076 0.000 2.489 146 N HA 0.805 5.545 4.740 -0.000 0.000 0.284 146 N C 0.261 175.810 175.510 0.065 0.000 1.158 146 N CA 0.299 53.362 53.050 0.023 0.000 0.965 146 N CB 1.684 40.181 38.487 0.018 0.000 1.195 146 N HN 0.965 nan 8.380 nan 0.000 0.506 147 G N 0.799 109.643 108.800 0.073 0.000 2.615 147 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 147 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 147 G C -1.252 173.671 174.900 0.038 0.000 1.339 147 G CA -0.650 44.479 45.100 0.049 0.000 0.884 147 G HN 0.606 nan 8.290 nan 0.000 0.559 148 E N 1.422 121.589 120.200 -0.055 0.000 2.042 148 E HA 0.261 4.611 4.350 -0.000 0.000 0.260 148 E C 0.907 177.394 176.600 -0.188 0.000 0.975 148 E CA -0.542 55.675 56.400 -0.304 0.000 0.799 148 E CB 0.259 29.694 29.700 -0.442 0.000 1.131 148 E HN 0.622 nan 8.360 nan 0.000 0.423 149 W N 3.421 124.645 121.300 -0.126 0.000 3.256 149 W HA 0.177 4.837 4.660 -0.000 0.000 0.269 149 W C -0.188 176.414 176.519 0.139 0.000 1.310 149 W CA -0.505 56.842 57.345 0.003 0.000 1.673 149 W CB -0.757 28.689 29.460 -0.023 0.000 1.115 149 W HN 0.228 nan 8.180 nan 0.000 0.686 150 F N 0.789 120.399 119.950 -0.568 0.000 2.650 150 F HA 0.567 5.094 4.527 -0.000 0.000 0.310 150 F C -1.857 173.619 175.800 -0.540 0.000 1.112 150 F CA -1.669 56.079 58.000 -0.421 0.000 0.986 150 F CB 0.661 39.296 39.000 -0.608 0.000 1.285 150 F HN -0.138 nan 8.300 nan 0.000 0.440 151 H N 4.122 123.139 119.070 -0.088 0.000 3.078 151 H HA 0.498 5.054 4.556 -0.000 0.000 0.319 151 H C -0.731 174.607 175.328 0.016 0.000 0.995 151 H CA -0.873 55.093 56.048 -0.136 0.000 1.417 151 H CB 1.369 31.072 29.762 -0.099 0.000 1.598 151 H HN 0.779 nan 8.280 nan 0.000 0.515 152 L N 2.338 123.646 121.223 0.142 0.000 2.452 152 L HA 0.315 4.655 4.340 -0.000 0.000 0.267 152 L C 0.206 177.152 176.870 0.126 0.000 1.188 152 L CA 0.249 55.178 54.840 0.150 0.000 0.821 152 L CB 0.827 42.970 42.059 0.140 0.000 1.102 152 L HN 0.638 nan 8.230 nan 0.000 0.470 153 Q N 1.923 121.822 119.800 0.165 0.000 2.479 153 Q HA 0.266 4.605 4.340 -0.000 0.000 0.276 153 Q C -1.705 174.408 176.000 0.189 0.000 0.989 153 Q CA -0.693 55.201 55.803 0.151 0.000 0.864 153 Q CB 1.849 30.701 28.738 0.191 0.000 1.444 153 Q HN 0.580 nan 8.270 nan 0.000 0.388 154 N N 4.287 123.058 118.700 0.119 0.000 2.904 154 N HA 0.220 4.960 4.740 -0.000 0.000 0.257 154 N C -2.191 173.346 175.510 0.045 0.000 1.363 154 N CA -0.820 52.291 53.050 0.101 0.000 0.856 154 N CB 1.652 40.176 38.487 0.061 0.000 1.166 154 N HN 0.453 nan 8.380 nan 0.000 0.499 155 P HA -0.089 nan 4.420 nan 0.000 0.210 155 P C -0.086 177.188 177.300 -0.043 0.000 1.191 155 P CA 1.163 64.268 63.100 0.008 0.000 0.917 155 P CB 0.211 31.897 31.700 -0.024 0.000 0.778 156 Y N -0.383 119.706 120.300 -0.351 0.000 2.567 156 Y HA 0.406 4.956 4.550 -0.000 0.000 0.333 156 Y C -0.532 174.977 175.900 -0.652 0.000 1.106 156 Y CA -1.498 56.282 58.100 -0.533 0.000 1.157 156 Y CB 1.006 39.023 38.460 -0.739 0.000 1.277 156 Y HN -0.230 nan 8.280 nan 0.000 0.490 157 D N 2.428 122.141 120.400 -1.145 0.000 2.411 157 D HA 0.130 4.769 4.640 -0.000 0.000 0.225 157 D C -0.682 175.303 176.300 -0.524 0.000 1.156 157 D CA 0.080 53.663 54.000 -0.694 0.000 0.874 157 D CB -0.208 40.256 40.800 -0.560 0.000 1.034 157 D HN 0.395 nan 8.370 nan 0.000 0.502 158 F N 1.923 121.900 119.950 0.044 0.000 2.692 158 F HA 0.113 4.640 4.527 -0.000 0.000 0.303 158 F C 2.169 178.018 175.800 0.082 0.000 1.114 158 F CA -0.007 58.080 58.000 0.144 0.000 1.361 158 F CB -0.134 38.969 39.000 0.171 0.000 1.063 158 F HN 0.329 nan 8.300 nan 0.000 0.550 159 T N -0.671 113.969 114.554 0.144 0.000 2.904 159 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 159 T C 2.187 176.944 174.700 0.096 0.000 1.059 159 T CA 1.492 63.654 62.100 0.104 0.000 1.137 159 T CB -0.377 68.517 68.868 0.043 0.000 0.879 159 T HN 0.230 nan 8.240 nan 0.000 0.467 160 V N 0.298 120.258 119.914 0.077 0.000 2.300 160 V HA 0.201 4.321 4.120 -0.000 0.000 0.233 160 V C 0.894 177.073 176.094 0.141 0.000 1.052 160 V CA 0.296 62.645 62.300 0.082 0.000 1.026 160 V CB -0.657 31.189 31.823 0.038 0.000 0.661 160 V HN 0.129 nan 8.190 nan 0.000 0.470 161 R N 1.339 121.961 120.500 0.205 0.000 2.419 161 R HA 0.514 4.854 4.340 -0.000 0.000 0.305 161 R C -0.464 176.014 176.300 0.298 0.000 1.242 161 R CA -0.212 56.021 56.100 0.223 0.000 1.105 161 R CB 0.966 31.409 30.300 0.238 0.000 1.116 161 R HN 0.453 nan 8.270 nan 0.000 0.523 162 V N 5.714 125.746 119.914 0.197 0.000 2.540 162 V HA 0.117 4.237 4.120 -0.000 0.000 0.297 162 V C -1.766 174.384 176.094 0.094 0.000 1.024 162 V CA -1.393 61.008 62.300 0.168 0.000 1.105 162 V CB 0.692 32.579 31.823 0.107 0.000 0.938 162 V HN 0.579 nan 8.190 nan 0.000 0.482 163 P HA 0.326 nan 4.420 nan 0.000 0.278 163 P C -0.579 176.798 177.300 0.129 0.000 1.266 163 P CA 0.125 63.217 63.100 -0.013 0.000 0.807 163 P CB 1.024 32.484 31.700 -0.399 0.000 1.094 164 H N -1.405 117.691 119.070 0.043 0.000 3.854 164 H HA 0.300 4.856 4.556 -0.000 0.000 0.264 164 H C -1.394 174.091 175.328 0.262 0.000 1.170 164 H CA -0.116 55.995 56.048 0.104 0.000 1.167 164 H CB 0.156 29.953 29.762 0.059 0.000 1.558 164 H HN 0.268 nan 8.280 nan 0.000 0.751 165 F N 2.444 122.280 119.950 -0.190 0.000 2.915 165 F HA 0.461 4.988 4.527 -0.000 0.000 0.350 165 F C -1.909 173.986 175.800 0.159 0.000 1.248 165 F CA -1.635 56.289 58.000 -0.126 0.000 1.084 165 F CB 1.143 39.882 39.000 -0.436 0.000 1.391 165 F HN 0.031 nan 8.300 nan 0.000 0.548 166 L N 6.948 128.198 121.223 0.046 0.000 2.326 166 L HA 0.597 4.937 4.340 -0.000 0.000 0.278 166 L C -1.716 175.047 176.870 -0.178 0.000 1.092 166 L CA -0.238 54.569 54.840 -0.056 0.000 0.810 166 L CB 0.997 43.089 42.059 0.055 0.000 1.153 166 L HN 0.539 nan 8.230 nan 0.000 0.439 167 F N 5.330 125.096 119.950 -0.305 0.000 2.612 167 F HA 0.321 4.848 4.527 -0.000 0.000 0.332 167 F C -1.002 174.733 175.800 -0.108 0.000 1.167 167 F CA -0.748 57.103 58.000 -0.248 0.000 0.970 167 F CB 0.759 39.589 39.000 -0.285 0.000 1.234 167 F HN 0.543 nan 8.300 nan 0.000 0.453 168 Y N 5.244 125.153 120.300 -0.653 0.000 2.457 168 Y HA 0.373 4.923 4.550 -0.000 0.000 0.341 168 Y C 0.036 175.559 175.900 -0.628 0.000 1.240 168 Y CA 0.635 58.435 58.100 -0.499 0.000 1.437 168 Y CB 1.066 39.307 38.460 -0.364 0.000 1.328 168 Y HN 0.501 nan 8.280 nan 0.000 0.588 169 V N 1.426 120.845 119.914 -0.825 0.000 3.155 169 V HA 0.223 4.343 4.120 -0.000 0.000 0.225 169 V C -0.335 175.397 176.094 -0.603 0.000 1.462 169 V CA 0.553 62.551 62.300 -0.503 0.000 1.270 169 V CB 0.555 32.107 31.823 -0.451 0.000 1.112 169 V HN 0.663 nan 8.190 nan 0.000 0.479 170 S N -0.888 114.204 115.700 -1.013 0.000 2.587 170 S HA 0.434 4.904 4.470 -0.000 0.000 0.269 170 S C -2.490 171.757 174.600 -0.589 0.000 1.154 170 S CA -0.497 57.342 58.200 -0.602 0.000 0.824 170 S CB 2.048 65.161 63.200 -0.147 0.000 1.118 170 S HN -0.056 nan 8.310 nan 0.000 0.462 171 P HA -0.205 nan 4.420 nan 0.000 0.217 171 P C 1.278 178.653 177.300 0.125 0.000 1.151 171 P CA 1.411 64.602 63.100 0.151 0.000 0.849 171 P CB 0.188 31.967 31.700 0.131 0.000 0.787 172 Q N -2.441 117.407 119.800 0.081 0.000 2.402 172 Q HA 0.085 4.425 4.340 -0.000 0.000 0.231 172 Q C 0.164 176.328 176.000 0.272 0.000 0.888 172 Q CA 0.454 56.337 55.803 0.134 0.000 0.938 172 Q CB -0.243 28.531 28.738 0.060 0.000 1.086 172 Q HN 0.224 nan 8.270 nan 0.000 0.543 173 F N 2.965 122.901 119.950 -0.023 0.000 2.467 173 F HA 0.609 5.136 4.527 -0.000 0.000 0.336 173 F C -1.109 174.621 175.800 -0.116 0.000 1.123 173 F CA -1.301 56.688 58.000 -0.018 0.000 0.964 173 F CB 1.833 40.828 39.000 -0.009 0.000 1.136 173 F HN 0.092 nan 8.300 nan 0.000 0.447 174 S N 5.981 121.376 115.700 -0.508 0.000 2.563 174 S HA 0.611 5.081 4.470 -0.000 0.000 0.279 174 S C -0.958 173.395 174.600 -0.412 0.000 1.155 174 S CA -0.555 57.288 58.200 -0.595 0.000 0.928 174 S CB 0.530 63.554 63.200 -0.293 0.000 1.107 174 S HN 1.152 nan 8.310 nan 0.000 0.462 175 V N 1.085 120.755 119.914 -0.407 0.000 3.214 175 V HA 0.911 5.031 4.120 -0.000 0.000 0.306 175 V C -0.282 175.608 176.094 -0.339 0.000 1.078 175 V CA -0.468 61.644 62.300 -0.314 0.000 1.077 175 V CB 1.111 32.619 31.823 -0.525 0.000 1.121 175 V HN 0.889 nan 8.190 nan 0.000 0.468 176 V N 1.976 121.641 119.914 -0.415 0.000 2.588 176 V HA 0.525 4.645 4.120 -0.000 0.000 0.304 176 V C -0.842 174.973 176.094 -0.466 0.000 1.042 176 V CA -0.221 61.895 62.300 -0.307 0.000 0.877 176 V CB 1.499 33.249 31.823 -0.122 0.000 0.996 176 V HN 0.778 nan 8.190 nan 0.000 0.425 177 F N 4.441 124.349 119.950 -0.070 0.000 2.427 177 F HA 0.624 5.151 4.527 -0.000 0.000 0.346 177 F C 0.144 176.067 175.800 0.205 0.000 1.120 177 F CA -0.469 57.554 58.000 0.039 0.000 1.033 177 F CB 1.416 40.480 39.000 0.107 0.000 1.126 177 F HN 0.194 nan 8.300 nan 0.000 0.462 178 L N 3.283 124.658 121.223 0.254 0.000 2.343 178 L HA 0.327 4.667 4.340 -0.000 0.000 0.275 178 L C 1.413 178.220 176.870 -0.106 0.000 1.056 178 L CA -0.444 54.466 54.840 0.117 0.000 0.804 178 L CB 1.205 43.282 42.059 0.030 0.000 1.203 178 L HN 0.666 nan 8.230 nan 0.000 0.440 179 E N 0.957 120.985 120.200 -0.286 0.000 2.160 179 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 179 E C 0.920 177.022 176.600 -0.830 0.000 0.991 179 E CA 1.617 57.662 56.400 -0.591 0.000 0.810 179 E CB 0.043 29.515 29.700 -0.380 0.000 0.742 179 E HN 0.767 nan 8.360 nan 0.000 0.466 180 D N -0.990 118.979 120.400 -0.718 0.000 2.347 180 D HA -0.022 4.618 4.640 -0.000 0.000 0.215 180 D C 1.376 177.485 176.300 -0.318 0.000 0.976 180 D CA 1.048 54.515 54.000 -0.888 0.000 0.884 180 D CB 0.300 40.913 40.800 -0.311 0.000 0.915 180 D HN 0.248 nan 8.370 nan 0.000 0.526 181 G N -1.100 107.597 108.800 -0.171 0.000 2.296 181 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.188 181 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.188 181 G C 0.624 175.566 174.900 0.070 0.000 1.000 181 G CA -0.124 44.981 45.100 0.009 0.000 0.672 181 G HN 0.715 nan 8.290 nan 0.000 0.483 182 G N 0.322 109.137 108.800 0.026 0.000 2.467 182 G HA2 0.570 4.530 3.960 -0.000 0.000 0.257 182 G HA3 0.570 4.530 3.960 -0.000 0.000 0.257 182 G C 0.083 174.936 174.900 -0.077 0.000 1.227 182 G CA -0.388 44.714 45.100 0.003 0.000 0.835 182 G HN 0.739 nan 8.290 nan 0.000 0.556 183 L N 2.187 123.279 121.223 -0.219 0.000 2.294 183 L HA 0.385 4.725 4.340 -0.000 0.000 0.283 183 L C -0.177 176.570 176.870 -0.204 0.000 1.015 183 L CA -0.823 53.721 54.840 -0.493 0.000 0.831 183 L CB 1.245 42.636 42.059 -1.113 0.000 1.217 183 L HN 0.296 nan 8.230 nan 0.000 0.420 184 L N 2.148 123.271 121.223 -0.166 0.000 2.454 184 L HA 0.790 5.129 4.340 -0.000 0.000 0.256 184 L C 0.564 177.549 176.870 0.192 0.000 1.136 184 L CA 0.286 55.103 54.840 -0.037 0.000 0.804 184 L CB 1.659 43.612 42.059 -0.175 0.000 1.181 184 L HN 0.584 nan 8.230 nan 0.000 0.469 185 G N 1.358 110.245 108.800 0.146 0.000 2.568 185 G HA2 0.626 4.586 3.960 -0.000 0.000 0.313 185 G HA3 0.626 4.586 3.960 -0.000 0.000 0.313 185 G C -1.948 173.044 174.900 0.155 0.000 1.227 185 G CA -0.364 44.891 45.100 0.259 0.000 0.979 185 G HN 0.460 nan 8.290 nan 0.000 0.486 186 L N 0.656 122.071 121.223 0.320 0.000 2.628 186 L HA 0.337 4.676 4.340 -0.000 0.000 0.258 186 L C -0.193 176.923 176.870 0.410 0.000 1.027 186 L CA -0.636 54.315 54.840 0.185 0.000 0.910 186 L CB 1.378 43.381 42.059 -0.093 0.000 1.157 186 L HN 0.752 nan 8.230 nan 0.000 0.452 187 K N 1.832 122.385 120.400 0.255 0.000 2.156 187 K HA 0.579 4.899 4.320 -0.000 0.000 0.271 187 K C -0.539 176.141 176.600 0.134 0.000 0.995 187 K CA -0.763 55.632 56.287 0.179 0.000 0.890 187 K CB 2.173 34.635 32.500 -0.063 0.000 1.073 187 K HN 0.241 nan 8.250 nan 0.000 0.454 188 K N 3.073 123.495 120.400 0.038 0.000 2.211 188 K HA 0.135 4.455 4.320 -0.000 0.000 0.275 188 K C 0.141 176.661 176.600 -0.133 0.000 1.024 188 K CA -0.607 55.535 56.287 -0.242 0.000 0.887 188 K CB 1.427 33.723 32.500 -0.340 0.000 1.084 188 K HN 0.603 nan 8.250 nan 0.000 0.463 189 V N 3.359 123.192 119.914 -0.135 0.000 2.423 189 V HA -0.142 3.978 4.120 -0.000 0.000 0.233 189 V C 1.716 177.753 176.094 -0.094 0.000 1.067 189 V CA 1.272 63.514 62.300 -0.096 0.000 1.073 189 V CB -0.340 31.431 31.823 -0.085 0.000 0.715 189 V HN 0.927 nan 8.190 nan 0.000 0.485 190 D N 0.856 121.197 120.400 -0.098 0.000 2.083 190 D HA 0.034 4.674 4.640 -0.000 0.000 0.225 190 D C 1.449 177.699 176.300 -0.083 0.000 0.974 190 D CA 1.753 55.703 54.000 -0.084 0.000 0.906 190 D CB -0.159 40.590 40.800 -0.085 0.000 1.028 190 D HN 0.484 nan 8.370 nan 0.000 0.446 191 G N -1.520 107.227 108.800 -0.088 0.000 3.912 191 G HA2 0.270 4.230 3.960 -0.000 0.000 0.203 191 G HA3 0.270 4.230 3.960 -0.000 0.000 0.203 191 G C 0.633 175.439 174.900 -0.158 0.000 1.112 191 G CA 0.231 45.268 45.100 -0.105 0.000 0.871 191 G HN 0.327 nan 8.290 nan 0.000 0.549 192 V N -0.008 119.827 119.914 -0.132 0.000 3.309 192 V HA 0.300 4.420 4.120 -0.000 0.000 0.268 192 V C 0.018 176.007 176.094 -0.175 0.000 1.631 192 V CA -0.004 62.188 62.300 -0.180 0.000 1.018 192 V CB 0.291 32.050 31.823 -0.106 0.000 0.841 192 V HN 0.225 nan 8.190 nan 0.000 0.418 193 H N -0.453 118.473 119.070 -0.241 0.000 2.463 193 H HA 0.689 5.245 4.556 -0.000 0.000 0.332 193 H C -1.343 173.815 175.328 -0.283 0.000 1.127 193 H CA -0.515 55.439 56.048 -0.157 0.000 1.238 193 H CB 0.909 30.623 29.762 -0.080 0.000 1.478 193 H HN 0.155 nan 8.280 nan 0.000 0.499 194 Y N 0.704 121.036 120.300 0.053 0.000 2.393 194 Y HA 0.366 4.915 4.550 -0.000 0.000 0.341 194 Y C -0.056 175.829 175.900 -0.025 0.000 0.988 194 Y CA -0.716 57.377 58.100 -0.012 0.000 1.078 194 Y CB 1.712 40.097 38.460 -0.124 0.000 1.203 194 Y HN 0.575 nan 8.280 nan 0.000 0.453 195 E N 4.603 124.879 120.200 0.127 0.000 2.224 195 E HA 0.297 4.647 4.350 -0.000 0.000 0.265 195 E C -2.747 173.861 176.600 0.013 0.000 0.878 195 E CA -2.550 53.877 56.400 0.045 0.000 0.759 195 E CB 1.880 31.582 29.700 0.003 0.000 1.164 195 E HN 0.242 nan 8.360 nan 0.000 0.414 196 P HA 0.010 nan 4.420 nan 0.000 0.268 196 P C -0.475 176.769 177.300 -0.093 0.000 1.282 196 P CA 0.253 63.324 63.100 -0.048 0.000 0.880 196 P CB 0.242 31.912 31.700 -0.050 0.000 0.971 197 L N 5.100 126.244 121.223 -0.131 0.000 2.389 197 L HA 0.225 4.565 4.340 -0.000 0.000 0.265 197 L C 0.953 177.625 176.870 -0.330 0.000 1.167 197 L CA -0.753 53.931 54.840 -0.261 0.000 1.045 197 L CB -0.066 41.770 42.059 -0.372 0.000 1.351 197 L HN 0.249 nan 8.230 nan 0.000 0.419 198 L N 2.300 123.394 121.223 -0.214 0.000 2.525 198 L HA 0.026 4.366 4.340 -0.000 0.000 0.278 198 L C -0.049 176.744 176.870 -0.128 0.000 1.218 198 L CA 0.410 55.177 54.840 -0.121 0.000 0.878 198 L CB 0.136 42.165 42.059 -0.051 0.000 1.127 198 L HN 0.249 nan 8.230 nan 0.000 0.492 199 F N 1.830 121.777 119.950 -0.004 0.000 2.378 199 F HA 0.242 4.769 4.527 -0.000 0.000 0.325 199 F C 0.743 176.591 175.800 0.079 0.000 1.097 199 F CA -1.134 56.899 58.000 0.055 0.000 1.079 199 F CB 0.403 39.301 39.000 -0.170 0.000 1.240 199 F HN 0.507 nan 8.300 nan 0.000 0.519 200 N N 1.480 120.411 118.700 0.385 0.000 2.475 200 N HA 0.027 4.767 4.740 -0.000 0.000 0.267 200 N C -1.325 174.423 175.510 0.397 0.000 1.169 200 N CA -0.045 53.197 53.050 0.321 0.000 0.947 200 N CB 1.454 40.117 38.487 0.293 0.000 1.061 200 N HN 0.640 nan 8.380 nan 0.000 0.466 201 D N 1.670 122.271 120.400 0.334 0.000 2.736 201 D HA 0.225 4.865 4.640 -0.000 0.000 0.243 201 D C -0.739 175.797 176.300 0.393 0.000 1.304 201 D CA -0.430 53.791 54.000 0.369 0.000 0.934 201 D CB 0.917 41.910 40.800 0.321 0.000 1.382 201 D HN 0.484 nan 8.370 nan 0.000 0.571 202 N N 1.356 120.176 118.700 0.199 0.000 2.177 202 N HA 0.020 4.759 4.740 -0.000 0.000 0.218 202 N C 0.786 176.126 175.510 -0.284 0.000 1.182 202 N CA -0.117 52.862 53.050 -0.119 0.000 0.882 202 N CB 0.863 39.288 38.487 -0.104 0.000 1.052 202 N HN 0.181 nan 8.380 nan 0.000 0.519 203 S N 0.545 116.219 115.700 -0.042 0.000 2.547 203 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 203 S C 1.555 176.108 174.600 -0.078 0.000 0.980 203 S CA 0.374 58.530 58.200 -0.074 0.000 0.941 203 S CB -0.350 62.858 63.200 0.013 0.000 0.763 203 S HN 0.598 nan 8.310 nan 0.000 0.532 204 Y N 0.354 120.662 120.300 0.014 0.000 2.475 204 Y HA 0.292 4.842 4.550 -0.000 0.000 0.289 204 Y C 1.429 177.334 175.900 0.008 0.000 1.121 204 Y CA 0.135 58.249 58.100 0.022 0.000 1.257 204 Y CB -0.765 37.727 38.460 0.054 0.000 1.026 204 Y HN 0.086 nan 8.280 nan 0.000 0.555 205 L N 0.879 121.711 121.223 -0.651 0.000 2.549 205 L HA -0.117 4.222 4.340 -0.000 0.000 0.230 205 L C 1.746 178.528 176.870 -0.146 0.000 1.162 205 L CA 1.115 55.726 54.840 -0.382 0.000 0.834 205 L CB -0.467 41.312 42.059 -0.467 0.000 0.947 205 L HN 0.267 nan 8.230 nan 0.000 0.452 206 K N -0.207 120.100 120.400 -0.155 0.000 2.555 206 K HA -0.105 4.215 4.320 -0.000 0.000 0.193 206 K C 2.068 178.672 176.600 0.007 0.000 1.032 206 K CA 1.019 57.219 56.287 -0.146 0.000 1.004 206 K CB -0.280 31.984 32.500 -0.393 0.000 0.804 206 K HN 0.570 nan 8.250 nan 0.000 0.496 207 C N -0.715 118.621 119.300 0.061 0.000 2.456 207 C HA 0.124 4.584 4.460 -0.000 0.000 0.279 207 C C 1.969 177.026 174.990 0.112 0.000 1.427 207 C CA -0.268 58.837 59.018 0.145 0.000 1.778 207 C CB -1.071 26.762 27.740 0.156 0.000 1.842 207 C HN 0.325 nan 8.230 nan 0.000 0.531 208 L N 1.508 122.775 121.223 0.073 0.000 2.551 208 L HA 0.035 4.375 4.340 -0.000 0.000 0.228 208 L C 1.011 177.905 176.870 0.039 0.000 1.153 208 L CA 0.525 55.392 54.840 0.046 0.000 0.851 208 L CB -0.838 41.236 42.059 0.025 0.000 0.959 208 L HN 0.390 nan 8.230 nan 0.000 0.451 209 T N -0.408 114.200 114.554 0.090 0.000 2.909 209 T HA 0.153 4.502 4.350 -0.000 0.000 0.286 209 T C 1.252 175.901 174.700 -0.086 0.000 1.002 209 T CA -0.672 61.471 62.100 0.072 0.000 1.074 209 T CB 1.477 70.539 68.868 0.324 0.000 0.984 209 T HN 0.305 nan 8.240 nan 0.000 0.495 210 R N 0.685 120.932 120.500 -0.422 0.000 2.357 210 R HA 0.030 4.370 4.340 -0.000 0.000 0.202 210 R C 0.160 176.038 176.300 -0.704 0.000 1.047 210 R CA 1.158 56.919 56.100 -0.566 0.000 1.034 210 R CB -0.484 29.403 30.300 -0.689 0.000 0.875 210 R HN 0.464 nan 8.270 nan 0.000 0.473 211 F N -0.193 119.722 119.950 -0.058 0.000 2.721 211 F HA 0.393 4.920 4.527 -0.000 0.000 0.301 211 F C -0.218 175.111 175.800 -0.785 0.000 1.096 211 F CA -0.686 57.076 58.000 -0.398 0.000 1.308 211 F CB 0.430 39.158 39.000 -0.453 0.000 1.086 211 F HN -0.163 nan 8.300 nan 0.000 0.587 212 F N -1.255 118.741 119.950 0.077 0.000 2.596 212 F HA 0.525 5.051 4.527 -0.000 0.000 0.311 212 F C -0.196 175.612 175.800 0.013 0.000 1.116 212 F CA -1.285 56.744 58.000 0.049 0.000 0.957 212 F CB 1.640 40.682 39.000 0.071 0.000 1.250 212 F HN -0.482 nan 8.300 nan 0.000 0.444 213 S N 1.813 117.607 115.700 0.156 0.000 2.519 213 S HA 0.422 4.891 4.470 -0.000 0.000 0.309 213 S C 0.836 175.484 174.600 0.079 0.000 1.100 213 S CA -0.967 57.285 58.200 0.086 0.000 1.059 213 S CB 2.008 65.221 63.200 0.022 0.000 1.008 213 S HN 0.672 nan 8.310 nan 0.000 0.478 214 R N 1.528 122.089 120.500 0.101 0.000 2.117 214 R HA -0.120 4.220 4.340 -0.000 0.000 0.243 214 R C 2.041 178.381 176.300 0.067 0.000 1.143 214 R CA 1.798 57.967 56.100 0.115 0.000 0.968 214 R CB -0.362 30.012 30.300 0.123 0.000 0.863 214 R HN 0.730 nan 8.270 nan 0.000 0.444 215 S N -0.112 115.610 115.700 0.037 0.000 2.603 215 S HA -0.001 4.469 4.470 -0.000 0.000 0.229 215 S C 0.812 175.387 174.600 -0.041 0.000 0.972 215 S CA -0.180 58.028 58.200 0.014 0.000 0.935 215 S CB 0.148 63.358 63.200 0.016 0.000 0.769 215 S HN 0.090 nan 8.310 nan 0.000 0.536 216 S N 0.984 116.627 115.700 -0.096 0.000 2.565 216 S HA 0.304 4.774 4.470 -0.000 0.000 0.274 216 S C 0.917 175.311 174.600 -0.344 0.000 1.309 216 S CA -0.727 57.373 58.200 -0.165 0.000 1.043 216 S CB 0.754 63.873 63.200 -0.133 0.000 0.939 216 S HN 0.458 nan 8.310 nan 0.000 0.504 217 K N 2.105 122.363 120.400 -0.236 0.000 2.366 217 K HA 0.041 4.360 4.320 -0.000 0.000 0.198 217 K C 1.243 177.667 176.600 -0.294 0.000 1.044 217 K CA 0.323 56.473 56.287 -0.227 0.000 0.973 217 K CB 0.010 32.465 32.500 -0.074 0.000 0.767 217 K HN 0.451 nan 8.250 nan 0.000 0.475 218 S N -0.423 115.119 115.700 -0.263 0.000 2.496 218 S HA 0.067 4.537 4.470 -0.000 0.000 0.260 218 S C -0.063 174.410 174.600 -0.212 0.000 1.122 218 S CA -0.246 57.855 58.200 -0.165 0.000 1.019 218 S CB 0.414 63.565 63.200 -0.081 0.000 1.226 218 S HN 0.267 nan 8.310 nan 0.000 0.502 219 D N -1.128 119.264 120.400 -0.014 0.000 2.531 219 D HA -0.194 4.446 4.640 -0.000 0.000 0.176 219 D C -0.294 176.142 176.300 0.228 0.000 1.217 219 D CA 1.670 55.779 54.000 0.181 0.000 1.125 219 D CB -1.447 39.481 40.800 0.214 0.000 1.148 219 D HN 0.638 nan 8.370 nan 0.000 0.430 220 Y N 0.666 121.026 120.300 0.100 0.000 2.712 220 Y HA 0.093 4.643 4.550 -0.000 0.000 0.333 220 Y C 1.221 177.143 175.900 0.037 0.000 1.225 220 Y CA 0.067 58.199 58.100 0.053 0.000 1.499 220 Y CB 0.437 38.905 38.460 0.014 0.000 1.288 220 Y HN -0.172 nan 8.280 nan 0.000 0.575 221 D N 2.109 122.625 120.400 0.193 0.000 2.886 221 D HA 0.108 4.748 4.640 -0.000 0.000 0.355 221 D C -0.696 175.651 176.300 0.078 0.000 1.274 221 D CA -0.356 53.707 54.000 0.106 0.000 0.836 221 D CB 0.003 40.844 40.800 0.069 0.000 1.109 221 D HN 0.408 nan 8.370 nan 0.000 0.488 222 S N -0.986 114.739 115.700 0.042 0.000 2.585 222 S HA 0.298 4.767 4.470 -0.000 0.000 0.273 222 S C 0.606 175.262 174.600 0.094 0.000 1.339 222 S CA -0.867 57.352 58.200 0.032 0.000 1.028 222 S CB 1.473 64.570 63.200 -0.171 0.000 0.906 222 S HN 0.060 nan 8.310 nan 0.000 0.528 223 V N 2.342 122.340 119.914 0.140 0.000 2.740 223 V HA 0.111 4.231 4.120 -0.000 0.000 0.303 223 V C 1.126 177.194 176.094 -0.043 0.000 1.054 223 V CA 0.260 62.545 62.300 -0.025 0.000 1.106 223 V CB 0.445 32.034 31.823 -0.390 0.000 0.957 223 V HN 0.930 nan 8.190 nan 0.000 0.486 224 I N 0.618 121.109 120.570 -0.131 0.000 4.327 224 I HA 0.466 4.636 4.170 -0.000 0.000 0.331 224 I C 0.480 176.444 176.117 -0.255 0.000 1.348 224 I CA 0.151 61.333 61.300 -0.196 0.000 1.152 224 I CB 0.734 38.689 38.000 -0.074 0.000 1.151 224 I HN 0.448 nan 8.210 nan 0.000 0.410 225 S N 0.269 115.859 115.700 -0.184 0.000 2.547 225 S HA 0.602 5.072 4.470 -0.000 0.000 0.270 225 S C -1.544 173.039 174.600 -0.027 0.000 1.150 225 S CA -0.635 57.520 58.200 -0.075 0.000 0.850 225 S CB 2.337 65.569 63.200 0.054 0.000 1.118 225 S HN 0.343 nan 8.310 nan 0.000 0.461 226 C N 2.984 122.332 119.300 0.080 0.000 3.006 226 C HA 0.769 5.229 4.460 -0.000 0.000 0.359 226 C C -2.224 172.737 174.990 -0.048 0.000 1.103 226 C CA -0.575 58.355 59.018 -0.146 0.000 1.286 226 C CB 1.038 28.466 27.740 -0.520 0.000 1.694 226 C HN 0.797 nan 8.230 nan 0.000 0.511 227 K N 4.279 124.651 120.400 -0.047 0.000 2.507 227 K HA 0.477 4.797 4.320 -0.000 0.000 0.251 227 K C -1.170 175.584 176.600 0.256 0.000 0.943 227 K CA -0.534 55.879 56.287 0.210 0.000 0.794 227 K CB 1.967 34.585 32.500 0.196 0.000 1.188 227 K HN 0.719 nan 8.250 nan 0.000 0.428 228 L N 4.165 125.691 121.223 0.505 0.000 2.313 228 L HA 0.383 4.723 4.340 -0.000 0.000 0.282 228 L C -0.847 176.278 176.870 0.425 0.000 1.092 228 L CA -0.074 55.028 54.840 0.437 0.000 0.831 228 L CB -0.049 42.298 42.059 0.481 0.000 1.159 228 L HN 0.450 nan 8.230 nan 0.000 0.442 229 F N 4.421 124.524 119.950 0.256 0.000 2.450 229 F HA 0.363 4.890 4.527 -0.000 0.000 0.332 229 F C 0.550 176.566 175.800 0.361 0.000 1.093 229 F CA -0.513 57.670 58.000 0.305 0.000 1.003 229 F CB 0.543 39.718 39.000 0.292 0.000 1.151 229 F HN 0.697 nan 8.300 nan 0.000 0.474 230 H N 4.124 122.822 119.070 -0.619 0.000 2.458 230 H HA -0.197 4.358 4.556 -0.000 0.000 0.322 230 H C 0.918 176.129 175.328 -0.194 0.000 1.038 230 H CA 1.132 56.899 56.048 -0.468 0.000 1.120 230 H CB -0.969 28.446 29.762 -0.579 0.000 1.489 230 H HN 0.643 nan 8.280 nan 0.000 0.399 231 E N -2.601 117.591 120.200 -0.013 0.000 3.449 231 E HA -0.387 3.963 4.350 -0.000 0.000 0.289 231 E C 1.752 178.346 176.600 -0.011 0.000 0.870 231 E CA 1.740 58.142 56.400 0.003 0.000 0.946 231 E CB -0.562 29.121 29.700 -0.029 0.000 1.476 231 E HN 0.825 nan 8.360 nan 0.000 0.466 232 R N -0.787 119.664 120.500 -0.082 0.000 2.196 232 R HA 0.050 4.390 4.340 -0.000 0.000 0.186 232 R C 0.243 176.439 176.300 -0.174 0.000 1.163 232 R CA 0.099 56.061 56.100 -0.230 0.000 1.146 232 R CB 0.376 30.335 30.300 -0.568 0.000 1.113 232 R HN -0.005 nan 8.270 nan 0.000 0.513 233 Y N 1.490 121.929 120.300 0.231 0.000 2.359 233 Y HA 0.260 4.810 4.550 -0.000 0.000 0.330 233 Y C -0.089 175.960 175.900 0.249 0.000 1.143 233 Y CA -0.577 57.676 58.100 0.255 0.000 1.318 233 Y CB 0.692 39.340 38.460 0.312 0.000 1.234 233 Y HN 0.089 nan 8.280 nan 0.000 0.522 234 L N 5.453 126.887 121.223 0.351 0.000 2.371 234 L HA 0.473 4.813 4.340 -0.000 0.000 0.262 234 L C -1.135 175.859 176.870 0.206 0.000 1.054 234 L CA -0.625 54.348 54.840 0.222 0.000 0.924 234 L CB -0.433 41.705 42.059 0.132 0.000 1.295 234 L HN 0.427 nan 8.230 nan 0.000 0.441 235 I N 4.837 125.494 120.570 0.144 0.000 2.598 235 I HA 0.219 4.389 4.170 -0.000 0.000 0.284 235 I C 0.385 176.506 176.117 0.007 0.000 1.140 235 I CA 0.360 61.693 61.300 0.055 0.000 1.420 235 I CB 0.595 38.580 38.000 -0.026 0.000 1.387 235 I HN 0.379 nan 8.210 nan 0.000 0.553 236 V N 5.329 125.261 119.914 0.031 0.000 3.001 236 V HA 0.781 4.901 4.120 -0.000 0.000 0.314 236 V C -1.143 174.942 176.094 -0.015 0.000 1.099 236 V CA -1.047 61.242 62.300 -0.018 0.000 0.989 236 V CB 2.106 33.958 31.823 0.049 0.000 1.040 236 V HN 0.557 nan 8.190 nan 0.000 0.434 237 L N 3.726 124.922 121.223 -0.044 0.000 2.376 237 L HA 0.817 5.157 4.340 -0.000 0.000 0.275 237 L C 0.354 177.219 176.870 -0.009 0.000 0.987 237 L CA 0.357 55.187 54.840 -0.016 0.000 0.828 237 L CB 1.784 43.832 42.059 -0.019 0.000 1.249 237 L HN 1.179 nan 8.230 nan 0.000 0.409 238 T N 0.524 115.106 114.554 0.047 0.000 2.881 238 T HA 0.291 4.641 4.350 -0.000 0.000 0.278 238 T C 0.795 175.513 174.700 0.029 0.000 0.982 238 T CA -0.457 61.678 62.100 0.059 0.000 0.989 238 T CB 0.772 69.712 68.868 0.120 0.000 1.058 238 T HN 0.695 nan 8.240 nan 0.000 0.529 239 Q N 0.280 120.089 119.800 0.015 0.000 2.364 239 Q HA -0.053 4.287 4.340 -0.000 0.000 0.209 239 Q C 0.922 176.890 176.000 -0.054 0.000 0.977 239 Q CA 0.854 56.634 55.803 -0.039 0.000 0.885 239 Q CB -0.154 28.566 28.738 -0.030 0.000 0.941 239 Q HN 0.533 nan 8.270 nan 0.000 0.464 240 N N -0.266 118.460 118.700 0.044 0.000 2.251 240 N HA 0.100 4.840 4.740 -0.000 0.000 0.217 240 N C -0.457 175.245 175.510 0.320 0.000 1.124 240 N CA 0.066 53.158 53.050 0.069 0.000 0.843 240 N CB 0.405 39.006 38.487 0.190 0.000 1.024 240 N HN 0.132 nan 8.380 nan 0.000 0.501 241 C N 1.987 121.430 119.300 0.238 0.000 4.167 241 C HA -0.173 4.287 4.460 -0.000 0.000 0.302 241 C C 0.148 175.152 174.990 0.023 0.000 1.384 241 C CA 0.062 59.165 59.018 0.140 0.000 2.041 241 C CB -2.720 25.120 27.740 0.166 0.000 1.303 241 C HN 0.447 nan 8.230 nan 0.000 0.718 242 H N -0.398 118.722 119.070 0.084 0.000 2.467 242 H HA 0.426 4.982 4.556 -0.000 0.000 0.326 242 H C 0.045 175.401 175.328 0.047 0.000 1.094 242 H CA -0.316 55.775 56.048 0.072 0.000 1.253 242 H CB 1.406 31.203 29.762 0.058 0.000 1.439 242 H HN 0.331 nan 8.280 nan 0.000 0.479 243 L N 5.296 126.615 121.223 0.160 0.000 2.397 243 L HA 0.180 4.520 4.340 -0.000 0.000 0.263 243 L C -0.083 176.873 176.870 0.144 0.000 1.136 243 L CA -0.262 54.626 54.840 0.080 0.000 1.019 243 L CB -0.401 41.612 42.059 -0.077 0.000 1.352 243 L HN 0.354 nan 8.230 nan 0.000 0.420 244 K N 4.984 125.433 120.400 0.081 0.000 2.312 244 K HA 0.390 4.710 4.320 -0.000 0.000 0.287 244 K C -0.621 175.934 176.600 -0.075 0.000 1.062 244 K CA -0.088 56.176 56.287 -0.039 0.000 0.934 244 K CB 1.110 33.569 32.500 -0.067 0.000 1.027 244 K HN 0.474 nan 8.250 nan 0.000 0.478 245 I N 3.303 123.794 120.570 -0.131 0.000 2.321 245 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 245 I C -0.632 175.402 176.117 -0.139 0.000 0.998 245 I CA -0.784 60.491 61.300 -0.041 0.000 1.227 245 I CB 0.709 38.731 38.000 0.037 0.000 1.368 245 I HN 0.418 nan 8.210 nan 0.000 0.466 246 W N 4.920 126.280 121.300 0.101 0.000 2.469 246 W HA 0.309 4.968 4.660 -0.000 0.000 0.320 246 W C 0.102 176.733 176.519 0.187 0.000 1.086 246 W CA -0.387 57.018 57.345 0.100 0.000 1.211 246 W CB 0.899 30.350 29.460 -0.014 0.000 1.298 246 W HN 0.325 nan 8.180 nan 0.000 0.525 247 D N 3.298 123.960 120.400 0.436 0.000 2.373 247 D HA 0.168 4.808 4.640 -0.000 0.000 0.227 247 D C 0.548 176.975 176.300 0.212 0.000 1.091 247 D CA -0.163 54.048 54.000 0.352 0.000 0.840 247 D CB 1.254 42.266 40.800 0.353 0.000 1.060 247 D HN 0.438 nan 8.370 nan 0.000 0.502 248 L N 2.907 124.161 121.223 0.052 0.000 2.622 248 L HA -0.039 4.301 4.340 -0.000 0.000 0.233 248 L C 1.803 178.615 176.870 -0.098 0.000 1.156 248 L CA 0.403 55.113 54.840 -0.217 0.000 0.866 248 L CB -0.084 41.928 42.059 -0.078 0.000 0.980 248 L HN 0.352 nan 8.230 nan 0.000 0.448 249 T N -1.404 113.217 114.554 0.111 0.000 2.837 249 T HA -0.060 4.290 4.350 -0.000 0.000 0.248 249 T C 2.041 176.958 174.700 0.363 0.000 1.033 249 T CA 1.342 63.568 62.100 0.209 0.000 1.150 249 T CB 0.181 69.123 68.868 0.123 0.000 0.865 249 T HN 0.292 nan 8.240 nan 0.000 0.425 250 S N 0.758 116.648 115.700 0.315 0.000 2.406 250 S HA 0.078 4.548 4.470 -0.000 0.000 0.228 250 S C 0.561 175.475 174.600 0.524 0.000 1.020 250 S CA 0.245 58.644 58.200 0.332 0.000 0.965 250 S CB -0.386 62.970 63.200 0.260 0.000 0.798 250 S HN 0.441 nan 8.310 nan 0.000 0.488 251 F N 1.516 121.631 119.950 0.275 0.000 3.043 251 F HA -0.184 4.343 4.527 -0.000 0.000 0.290 251 F C -0.003 176.125 175.800 0.546 0.000 0.844 251 F CA 0.529 58.773 58.000 0.407 0.000 1.184 251 F CB -2.319 36.724 39.000 0.072 0.000 1.246 251 F HN 0.041 nan 8.300 nan 0.000 0.536 252 T N 0.938 115.863 114.554 0.618 0.000 2.841 252 T HA 0.571 4.921 4.350 -0.000 0.000 0.283 252 T C -0.359 174.520 174.700 0.298 0.000 1.000 252 T CA -0.750 61.646 62.100 0.494 0.000 0.977 252 T CB 2.018 71.050 68.868 0.273 0.000 0.979 252 T HN 0.157 nan 8.240 nan 0.000 0.446 253 L N 4.669 125.807 121.223 -0.141 0.000 2.615 253 L HA 0.136 4.476 4.340 -0.000 0.000 0.271 253 L C 0.610 177.262 176.870 -0.363 0.000 1.183 253 L CA 0.388 54.675 54.840 -0.923 0.000 0.933 253 L CB -0.313 41.078 42.059 -1.113 0.000 1.199 253 L HN 0.606 nan 8.230 nan 0.000 0.487 254 I N 2.968 123.372 120.570 -0.276 0.000 3.265 254 I HA 0.170 4.340 4.170 -0.000 0.000 0.282 254 I C 0.712 176.731 176.117 -0.163 0.000 1.207 254 I CA 0.590 61.818 61.300 -0.119 0.000 1.449 254 I CB -0.575 37.430 38.000 0.009 0.000 1.121 254 I HN 0.607 nan 8.210 nan 0.000 0.442 255 Q N 0.196 119.859 119.800 -0.229 0.000 2.553 255 Q HA 0.399 4.739 4.340 -0.000 0.000 0.293 255 Q C -1.319 174.515 176.000 -0.278 0.000 1.038 255 Q CA -0.382 55.267 55.803 -0.256 0.000 0.777 255 Q CB 3.064 31.759 28.738 -0.072 0.000 1.487 255 Q HN -0.044 nan 8.270 nan 0.000 0.426 256 D N 0.740 120.926 120.400 -0.355 0.000 2.474 256 D HA 0.227 4.867 4.640 -0.000 0.000 0.234 256 D C -1.639 174.589 176.300 -0.119 0.000 1.323 256 D CA -0.022 53.880 54.000 -0.163 0.000 0.915 256 D CB -0.135 40.563 40.800 -0.169 0.000 1.487 256 D HN 0.312 nan 8.370 nan 0.000 0.524 257 Y N 0.586 120.924 120.300 0.063 0.000 2.354 257 Y HA 0.422 4.972 4.550 -0.000 0.000 0.322 257 Y C 0.890 176.833 175.900 0.072 0.000 1.253 257 Y CA -0.790 57.356 58.100 0.077 0.000 1.272 257 Y CB 1.024 39.548 38.460 0.106 0.000 1.255 257 Y HN 0.100 nan 8.280 nan 0.000 0.500 258 D N 2.225 122.704 120.400 0.133 0.000 2.477 258 D HA 0.169 4.808 4.640 -0.000 0.000 0.239 258 D C 0.673 176.907 176.300 -0.108 0.000 1.102 258 D CA -0.276 53.622 54.000 -0.170 0.000 0.901 258 D CB 0.489 41.209 40.800 -0.133 0.000 1.026 258 D HN 0.469 nan 8.370 nan 0.000 0.515 259 M N 2.069 121.608 119.600 -0.102 0.000 2.143 259 M HA -0.176 4.304 4.480 -0.000 0.000 0.258 259 M C 2.032 178.244 176.300 -0.147 0.000 1.071 259 M CA 1.316 56.574 55.300 -0.070 0.000 1.088 259 M CB -0.973 31.584 32.600 -0.071 0.000 1.360 259 M HN 0.435 nan 8.290 nan 0.000 0.404 260 V N -1.543 118.230 119.914 -0.235 0.000 2.591 260 V HA -0.109 4.011 4.120 -0.000 0.000 0.249 260 V C 2.464 178.433 176.094 -0.209 0.000 1.053 260 V CA 1.684 63.801 62.300 -0.305 0.000 1.068 260 V CB -1.442 30.073 31.823 -0.514 0.000 0.689 260 V HN 0.517 nan 8.190 nan 0.000 0.462 261 S N 0.111 115.717 115.700 -0.157 0.000 2.399 261 S HA -0.279 4.191 4.470 -0.000 0.000 0.231 261 S C 1.982 176.485 174.600 -0.161 0.000 1.022 261 S CA 1.435 59.560 58.200 -0.125 0.000 0.983 261 S CB -0.750 62.397 63.200 -0.088 0.000 0.803 261 S HN 0.665 nan 8.310 nan 0.000 0.480 262 Q N 1.841 121.512 119.800 -0.214 0.000 2.118 262 Q HA -0.134 4.206 4.340 -0.000 0.000 0.211 262 Q C 1.777 177.605 176.000 -0.287 0.000 0.998 262 Q CA 1.836 57.425 55.803 -0.356 0.000 0.872 262 Q CB -0.889 27.563 28.738 -0.478 0.000 0.925 262 Q HN 0.871 nan 8.270 nan 0.000 0.414 263 S N 0.865 116.454 115.700 -0.184 0.000 2.748 263 S HA 0.188 4.658 4.470 -0.000 0.000 0.299 263 S C -0.215 174.332 174.600 -0.090 0.000 1.119 263 S CA -0.831 57.302 58.200 -0.112 0.000 0.997 263 S CB 0.923 64.084 63.200 -0.064 0.000 1.223 263 S HN 0.282 nan 8.310 nan 0.000 0.541 264 D N 0.867 121.234 120.400 -0.055 0.000 2.661 264 D HA -0.097 4.543 4.640 -0.000 0.000 0.244 264 D C -0.107 176.163 176.300 -0.050 0.000 1.196 264 D CA 0.349 54.325 54.000 -0.041 0.000 0.881 264 D CB -0.121 40.666 40.800 -0.020 0.000 1.141 264 D HN 0.432 nan 8.370 nan 0.000 0.530 265 S N 2.357 118.030 115.700 -0.045 0.000 3.232 265 S HA -0.054 4.416 4.470 -0.000 0.000 0.298 265 S C -0.460 174.127 174.600 -0.023 0.000 1.159 265 S CA -0.579 57.598 58.200 -0.039 0.000 1.240 265 S CB -0.667 62.513 63.200 -0.032 0.000 1.584 265 S HN 0.300 nan 8.310 nan 0.000 0.558 266 D N 5.293 125.681 120.400 -0.021 0.000 2.352 266 D HA 0.234 4.874 4.640 -0.000 0.000 0.245 266 D C -0.706 175.602 176.300 0.013 0.000 1.224 266 D CA -1.537 52.463 54.000 -0.000 0.000 0.879 266 D CB 1.304 42.109 40.800 0.008 0.000 1.057 266 D HN 0.367 nan 8.370 nan 0.000 0.491 267 P HA -0.127 nan 4.420 nan 0.000 0.221 267 P C 1.237 178.510 177.300 -0.045 0.000 1.155 267 P CA 0.468 63.554 63.100 -0.023 0.000 0.812 267 P CB 0.267 31.949 31.700 -0.031 0.000 0.801 268 S N -0.083 115.607 115.700 -0.017 0.000 2.521 268 S HA -0.206 4.264 4.470 -0.000 0.000 0.246 268 S C 0.916 175.497 174.600 -0.031 0.000 1.059 268 S CA 1.076 59.273 58.200 -0.006 0.000 1.302 268 S CB -1.237 61.989 63.200 0.045 0.000 1.216 268 S HN 0.274 nan 8.310 nan 0.000 0.421 269 H N -0.468 118.635 119.070 0.056 0.000 3.042 269 H HA 0.426 4.982 4.556 -0.000 0.000 0.345 269 H C -1.969 173.455 175.328 0.159 0.000 1.052 269 H CA -0.857 55.240 56.048 0.083 0.000 1.311 269 H CB 1.360 31.154 29.762 0.052 0.000 1.810 269 H HN 0.521 nan 8.280 nan 0.000 0.505 270 F N 5.435 125.516 119.950 0.220 0.000 2.366 270 F HA 0.346 4.873 4.527 -0.000 0.000 0.366 270 F C 0.094 175.975 175.800 0.136 0.000 1.096 270 F CA -0.983 57.083 58.000 0.110 0.000 1.060 270 F CB 0.630 39.655 39.000 0.041 0.000 1.282 270 F HN 0.394 nan 8.300 nan 0.000 0.450 271 R N 7.332 128.079 120.500 0.412 0.000 2.488 271 R HA 0.016 4.356 4.340 -0.000 0.000 0.306 271 R C -0.066 176.211 176.300 -0.037 0.000 1.271 271 R CA -0.298 55.867 56.100 0.108 0.000 1.022 271 R CB 0.162 30.500 30.300 0.063 0.000 1.054 271 R HN 0.676 nan 8.270 nan 0.000 0.500 272 K N 2.975 123.190 120.400 -0.309 0.000 2.402 272 K HA 0.027 4.347 4.320 -0.000 0.000 0.279 272 K C -0.289 176.210 176.600 -0.169 0.000 1.082 272 K CA -0.482 55.565 56.287 -0.400 0.000 1.080 272 K CB 0.662 32.949 32.500 -0.355 0.000 0.899 272 K HN 0.147 nan 8.250 nan 0.000 0.469 273 V N 3.301 123.127 119.914 -0.147 0.000 2.621 273 V HA -0.117 4.003 4.120 -0.000 0.000 0.300 273 V C 1.077 177.115 176.094 -0.093 0.000 1.031 273 V CA 0.683 62.885 62.300 -0.164 0.000 1.210 273 V CB -0.319 31.288 31.823 -0.359 0.000 0.864 273 V HN 0.859 nan 8.190 nan 0.000 0.477 274 E N 3.189 123.363 120.200 -0.044 0.000 2.370 274 E HA 0.528 4.878 4.350 -0.000 0.000 0.194 274 E C 0.136 176.737 176.600 0.002 0.000 1.057 274 E CA 0.578 56.968 56.400 -0.016 0.000 1.011 274 E CB 0.249 29.945 29.700 -0.007 0.000 1.132 274 E HN 0.908 nan 8.360 nan 0.000 0.450 275 A N -0.924 121.894 122.820 -0.003 0.000 2.585 275 A HA 0.366 4.686 4.320 -0.000 0.000 0.299 275 A C -1.029 176.507 177.584 -0.079 0.000 1.047 275 A CA -0.750 51.268 52.037 -0.031 0.000 0.723 275 A CB 0.616 19.619 19.000 0.004 0.000 1.275 275 A HN -0.035 nan 8.150 nan 0.000 0.408 276 V N 1.459 121.174 119.914 -0.331 0.000 2.599 276 V HA 0.510 4.630 4.120 -0.000 0.000 0.300 276 V C 1.108 176.893 176.094 -0.516 0.000 1.034 276 V CA 1.229 63.176 62.300 -0.589 0.000 1.115 276 V CB 0.424 31.523 31.823 -1.208 0.000 0.934 276 V HN 1.697 nan 8.190 nan 0.000 0.485 277 G N 3.307 111.975 108.800 -0.220 0.000 2.682 277 G HA2 0.545 4.505 3.960 -0.000 0.000 0.303 277 G HA3 0.545 4.505 3.960 -0.000 0.000 0.303 277 G C -1.071 173.570 174.900 -0.431 0.000 1.341 277 G CA -0.581 44.343 45.100 -0.293 0.000 0.784 277 G HN 0.455 nan 8.290 nan 0.000 0.497 278 E N 1.010 120.900 120.200 -0.516 0.000 1.964 278 E HA 0.242 4.592 4.350 -0.000 0.000 0.264 278 E C -0.555 175.772 176.600 -0.455 0.000 1.120 278 E CA -0.312 55.895 56.400 -0.322 0.000 1.061 278 E CB 0.435 30.045 29.700 -0.150 0.000 1.190 278 E HN 0.483 nan 8.360 nan 0.000 0.459 279 Y N 1.024 121.315 120.300 -0.016 0.000 2.457 279 Y HA 0.127 4.676 4.550 -0.000 0.000 0.263 279 Y C 0.372 176.266 175.900 -0.011 0.000 1.164 279 Y CA -0.361 57.722 58.100 -0.028 0.000 1.274 279 Y CB 0.282 38.715 38.460 -0.046 0.000 1.097 279 Y HN 0.274 nan 8.280 nan 0.000 0.523 280 L N -2.586 118.697 121.223 0.100 0.000 2.724 280 L HA 0.812 5.152 4.340 -0.000 0.000 0.258 280 L C -0.650 176.274 176.870 0.091 0.000 0.967 280 L CA -1.544 53.351 54.840 0.091 0.000 0.891 280 L CB 1.700 43.792 42.059 0.055 0.000 1.456 280 L HN -0.224 nan 8.230 nan 0.000 0.416 281 S N 1.251 117.010 115.700 0.097 0.000 2.537 281 S HA 0.891 5.360 4.470 -0.000 0.000 0.271 281 S C -1.168 173.505 174.600 0.122 0.000 1.148 281 S CA -0.601 57.669 58.200 0.116 0.000 0.868 281 S CB 1.437 64.702 63.200 0.109 0.000 1.115 281 S HN 1.712 nan 8.310 nan 0.000 0.461 282 L N 1.078 122.395 121.223 0.157 0.000 2.354 282 L HA 0.775 5.115 4.340 -0.000 0.000 0.269 282 L C -0.133 176.898 176.870 0.269 0.000 1.005 282 L CA -1.025 53.925 54.840 0.183 0.000 0.819 282 L CB 1.263 43.417 42.059 0.158 0.000 1.311 282 L HN 0.770 nan 8.230 nan 0.000 0.423 283 Y N 2.094 122.462 120.300 0.114 0.000 2.762 283 Y HA 0.303 4.853 4.550 -0.000 0.000 0.218 283 Y C 1.524 177.520 175.900 0.159 0.000 0.960 283 Y CA 0.529 58.692 58.100 0.106 0.000 1.070 283 Y CB -0.053 38.442 38.460 0.058 0.000 1.045 283 Y HN 0.754 nan 8.280 nan 0.000 0.466 284 N N 0.629 119.274 118.700 -0.092 0.000 2.187 284 N HA -0.106 4.633 4.740 -0.000 0.000 0.191 284 N C 0.720 176.383 175.510 0.254 0.000 1.057 284 N CA 1.500 54.517 53.050 -0.056 0.000 0.913 284 N CB -0.739 37.693 38.487 -0.092 0.000 1.089 284 N HN 0.604 nan 8.380 nan 0.000 0.472 285 N N -0.061 118.786 118.700 0.245 0.000 2.200 285 N HA 0.064 4.803 4.740 -0.000 0.000 0.224 285 N C -0.571 175.007 175.510 0.113 0.000 1.179 285 N CA -0.014 53.177 53.050 0.235 0.000 0.877 285 N CB 0.287 38.915 38.487 0.235 0.000 1.072 285 N HN 0.002 nan 8.380 nan 0.000 0.519 286 T N 1.473 116.130 114.554 0.172 0.000 2.928 286 T HA 0.592 4.942 4.350 -0.000 0.000 0.284 286 T C -0.572 174.181 174.700 0.088 0.000 1.008 286 T CA -0.462 61.728 62.100 0.150 0.000 1.057 286 T CB 1.924 70.979 68.868 0.313 0.000 1.018 286 T HN 0.209 nan 8.240 nan 0.000 0.493 287 L N 3.171 124.403 121.223 0.014 0.000 2.493 287 L HA 0.738 5.078 4.340 -0.000 0.000 0.265 287 L C -1.037 175.828 176.870 -0.009 0.000 0.954 287 L CA -0.809 54.028 54.840 -0.005 0.000 0.844 287 L CB 1.735 43.730 42.059 -0.107 0.000 1.302 287 L HN 0.553 nan 8.230 nan 0.000 0.405 288 V N 0.519 120.455 119.914 0.038 0.000 2.769 288 V HA 0.894 5.014 4.120 -0.000 0.000 0.312 288 V C -0.416 175.734 176.094 0.094 0.000 1.058 288 V CA -0.157 62.194 62.300 0.084 0.000 0.952 288 V CB 1.794 33.712 31.823 0.157 0.000 1.019 288 V HN 0.813 nan 8.190 nan 0.000 0.445 289 T N 4.531 119.149 114.554 0.107 0.000 2.912 289 T HA 0.588 4.938 4.350 -0.000 0.000 0.299 289 T C -1.007 173.701 174.700 0.013 0.000 1.052 289 T CA -0.293 61.841 62.100 0.056 0.000 0.996 289 T CB 1.674 70.535 68.868 -0.012 0.000 1.070 289 T HN 0.867 nan 8.240 nan 0.000 0.465 290 L N 3.799 125.008 121.223 -0.024 0.000 2.272 290 L HA 0.538 4.878 4.340 -0.000 0.000 0.284 290 L C -1.088 175.734 176.870 -0.081 0.000 1.045 290 L CA -0.372 54.354 54.840 -0.191 0.000 0.842 290 L CB -0.230 41.739 42.059 -0.150 0.000 1.224 290 L HN 0.550 nan 8.230 nan 0.000 0.430 291 L N 6.456 127.609 121.223 -0.116 0.000 2.325 291 L HA 0.515 4.855 4.340 -0.000 0.000 0.279 291 L C -2.066 174.761 176.870 -0.071 0.000 1.054 291 L CA -1.917 52.859 54.840 -0.107 0.000 0.804 291 L CB 1.153 43.124 42.059 -0.146 0.000 1.200 291 L HN 0.437 nan 8.230 nan 0.000 0.436 292 P HA 0.234 nan 4.420 nan 0.000 0.277 292 P C -0.802 176.511 177.300 0.021 0.000 1.354 292 P CA -0.006 63.119 63.100 0.041 0.000 0.891 292 P CB 0.400 32.180 31.700 0.133 0.000 1.058 293 L N 2.897 124.128 121.223 0.013 0.000 2.527 293 L HA 0.268 4.608 4.340 -0.000 0.000 0.261 293 L C 0.688 177.574 176.870 0.025 0.000 1.534 293 L CA 0.238 55.086 54.840 0.013 0.000 0.757 293 L CB -0.023 42.028 42.059 -0.013 0.000 0.999 293 L HN 0.355 nan 8.230 nan 0.000 0.517 294 E N 1.462 121.679 120.200 0.028 0.000 3.435 294 E HA -0.266 4.083 4.350 -0.000 0.000 0.312 294 E C -0.027 176.574 176.600 0.002 0.000 0.869 294 E CA 0.673 57.081 56.400 0.012 0.000 1.112 294 E CB -0.622 29.084 29.700 0.011 0.000 1.561 294 E HN 0.728 nan 8.360 nan 0.000 0.417 295 N N -1.389 117.325 118.700 0.024 0.000 2.699 295 N HA -0.164 4.576 4.740 -0.000 0.000 0.257 295 N C -0.183 175.336 175.510 0.014 0.000 1.077 295 N CA 1.673 54.748 53.050 0.040 0.000 0.702 295 N CB -1.189 37.312 38.487 0.024 0.000 0.886 295 N HN 0.559 nan 8.380 nan 0.000 0.549 296 G N 0.017 108.845 108.800 0.047 0.000 4.765 296 G HA2 0.389 4.349 3.960 -0.000 0.000 0.276 296 G HA3 0.389 4.349 3.960 -0.000 0.000 0.276 296 G C -0.418 174.564 174.900 0.137 0.000 0.986 296 G CA -0.255 44.903 45.100 0.096 0.000 0.755 296 G HN 0.243 nan 8.290 nan 0.000 0.391 297 L N 0.727 121.978 121.223 0.047 0.000 2.376 297 L HA 0.567 4.907 4.340 -0.000 0.000 0.275 297 L C -1.201 175.634 176.870 -0.058 0.000 0.987 297 L CA -0.852 54.019 54.840 0.053 0.000 0.828 297 L CB 2.112 44.179 42.059 0.013 0.000 1.249 297 L HN 0.008 nan 8.230 nan 0.000 0.409 298 F N 2.487 122.522 119.950 0.141 0.000 2.363 298 F HA 0.301 4.828 4.527 -0.000 0.000 0.366 298 F C 0.536 176.357 175.800 0.035 0.000 1.083 298 F CA -0.333 57.730 58.000 0.105 0.000 1.176 298 F CB 1.252 40.325 39.000 0.123 0.000 1.432 298 F HN 0.438 nan 8.300 nan 0.000 0.482 299 Q N 5.043 124.938 119.800 0.158 0.000 2.288 299 Q HA 0.548 4.887 4.340 -0.000 0.000 0.254 299 Q C -0.632 175.402 176.000 0.057 0.000 0.932 299 Q CA -0.410 55.461 55.803 0.113 0.000 0.902 299 Q CB 0.963 29.797 28.738 0.160 0.000 1.203 299 Q HN 0.674 nan 8.270 nan 0.000 0.415 300 M N 2.359 121.899 119.600 -0.100 0.000 2.149 300 M HA 0.605 5.085 4.480 -0.000 0.000 0.273 300 M C -0.756 175.202 176.300 -0.569 0.000 0.972 300 M CA -0.831 54.320 55.300 -0.249 0.000 0.984 300 M CB 1.618 34.064 32.600 -0.258 0.000 1.699 300 M HN 0.567 nan 8.290 nan 0.000 0.462 301 G N 1.861 110.491 108.800 -0.284 0.000 3.008 301 G HA2 0.898 4.858 3.960 -0.000 0.000 0.181 301 G HA3 0.898 4.858 3.960 -0.000 0.000 0.181 301 G C -0.871 173.841 174.900 -0.314 0.000 1.309 301 G CA -0.330 44.493 45.100 -0.461 0.000 1.009 301 G HN 0.867 nan 8.290 nan 0.000 0.584 302 T N -2.049 112.369 114.554 -0.227 0.000 2.956 302 T HA 0.625 4.975 4.350 -0.000 0.000 0.312 302 T C -0.627 174.037 174.700 -0.060 0.000 1.151 302 T CA -0.683 61.363 62.100 -0.090 0.000 1.024 302 T CB 1.370 70.205 68.868 -0.055 0.000 1.140 302 T HN 0.365 nan 8.240 nan 0.000 0.473 303 L N 2.492 123.656 121.223 -0.099 0.000 2.399 303 L HA 0.808 5.148 4.340 -0.000 0.000 0.266 303 L C -0.766 176.045 176.870 -0.099 0.000 1.114 303 L CA -1.092 53.629 54.840 -0.199 0.000 0.804 303 L CB 1.343 43.028 42.059 -0.623 0.000 1.146 303 L HN 0.641 nan 8.230 nan 0.000 0.451 304 L N 3.336 124.514 121.223 -0.075 0.000 2.705 304 L HA 0.734 5.074 4.340 -0.000 0.000 0.260 304 L C -1.038 175.829 176.870 -0.006 0.000 0.921 304 L CA -0.081 54.753 54.840 -0.009 0.000 0.948 304 L CB 1.721 43.778 42.059 -0.003 0.000 1.427 304 L HN 0.404 nan 8.230 nan 0.000 0.432 312 T N 3.859 118.375 114.554 -0.063 0.000 2.921 312 T HA 0.443 4.793 4.350 -0.000 0.000 0.297 312 T C -1.744 172.968 174.700 0.019 0.000 1.013 312 T CA -0.313 61.812 62.100 0.042 0.000 0.990 312 T CB 1.247 70.133 68.868 0.031 0.000 1.023 312 T HN 0.425 nan 8.240 nan 0.000 0.447 313 Y N 3.300 123.529 120.300 -0.119 0.000 2.328 313 Y HA 0.575 5.125 4.550 -0.000 0.000 0.337 313 Y C -0.200 175.535 175.900 -0.274 0.000 1.008 313 Y CA -0.933 56.947 58.100 -0.366 0.000 1.129 313 Y CB 0.910 38.901 38.460 -0.782 0.000 1.185 313 Y HN 0.674 nan 8.280 nan 0.000 0.476 314 T N 5.318 119.426 114.554 -0.744 0.000 2.890 314 T HA 0.295 4.644 4.350 -0.000 0.000 0.295 314 T C -0.583 173.718 174.700 -0.666 0.000 0.993 314 T CA -0.654 61.091 62.100 -0.592 0.000 0.979 314 T CB 0.459 69.179 68.868 -0.246 0.000 0.967 314 T HN 0.587 nan 8.240 nan 0.000 0.441 315 F N 2.890 122.397 119.950 -0.738 0.000 2.654 315 F HA 0.043 4.570 4.527 -0.000 0.000 0.338 315 F C 1.231 176.836 175.800 -0.325 0.000 1.126 315 F CA 0.856 58.560 58.000 -0.493 0.000 1.352 315 F CB 0.625 39.452 39.000 -0.288 0.000 1.013 315 F HN 0.635 nan 8.300 nan 0.000 0.632 316 Q N 1.318 120.305 119.800 -1.356 0.000 2.451 316 Q HA 0.140 4.480 4.340 -0.000 0.000 0.216 316 Q C -0.735 174.644 176.000 -1.035 0.000 0.746 316 Q CA 0.197 55.466 55.803 -0.889 0.000 0.940 316 Q CB 0.424 28.754 28.738 -0.680 0.000 1.311 316 Q HN 0.754 nan 8.270 nan 0.000 0.481 317 N N -0.228 117.619 118.700 -1.421 0.000 4.409 317 N HA 0.060 4.800 4.740 -0.000 0.000 0.208 317 N C -2.182 173.174 175.510 -0.257 0.000 1.233 317 N CA -0.198 52.461 53.050 -0.651 0.000 0.881 317 N CB 0.278 38.662 38.487 -0.173 0.000 1.507 317 N HN -0.128 nan 8.380 nan 0.000 0.511 318 N N 0.913 119.670 118.700 0.095 0.000 2.469 318 N HA 0.527 5.266 4.740 -0.000 0.000 0.253 318 N C -0.973 174.590 175.510 0.089 0.000 0.970 318 N CA -0.258 52.879 53.050 0.146 0.000 0.940 318 N CB 0.894 39.516 38.487 0.224 0.000 1.128 318 N HN 0.437 nan 8.380 nan 0.000 0.503 319 I N 4.918 125.509 120.570 0.035 0.000 2.297 319 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 319 I C -1.743 174.496 176.117 0.203 0.000 1.033 319 I CA -1.851 59.410 61.300 -0.066 0.000 1.253 319 I CB 1.224 38.957 38.000 -0.445 0.000 1.396 319 I HN 0.306 nan 8.210 nan 0.000 0.476 320 P HA 0.110 nan 4.420 nan 0.000 0.275 320 P C -0.422 177.201 177.300 0.538 0.000 1.270 320 P CA -0.184 63.116 63.100 0.334 0.000 0.791 320 P CB 0.584 32.441 31.700 0.262 0.000 1.089 321 T N -2.445 112.359 114.554 0.417 0.000 2.918 321 T HA 0.370 4.720 4.350 -0.000 0.000 0.286 321 T C 0.288 175.005 174.700 0.029 0.000 1.026 321 T CA -0.932 61.359 62.100 0.319 0.000 1.031 321 T CB 0.456 69.474 68.868 0.249 0.000 1.046 321 T HN 0.458 nan 8.240 nan 0.000 0.479 322 N N 3.536 122.052 118.700 -0.307 0.000 3.105 322 N HA 0.266 5.005 4.740 -0.000 0.000 0.256 322 N C -0.928 174.404 175.510 -0.296 0.000 1.174 322 N CA -0.532 52.384 53.050 -0.223 0.000 1.030 322 N CB 0.074 38.439 38.487 -0.203 0.000 1.305 322 N HN 0.603 nan 8.380 nan 0.000 0.509 323 L N 0.583 121.669 121.223 -0.228 0.000 2.362 323 L HA 0.543 4.883 4.340 -0.000 0.000 0.271 323 L C 0.354 177.177 176.870 -0.079 0.000 1.002 323 L CA -0.540 54.162 54.840 -0.229 0.000 0.818 323 L CB 2.031 43.878 42.059 -0.354 0.000 1.298 323 L HN 0.528 nan 8.230 nan 0.000 0.420 324 S N 0.995 116.691 115.700 -0.007 0.000 3.132 324 S HA 0.824 5.294 4.470 -0.000 0.000 0.322 324 S C 0.259 174.892 174.600 0.055 0.000 1.124 324 S CA -0.099 58.113 58.200 0.019 0.000 0.906 324 S CB 1.522 64.729 63.200 0.010 0.000 1.349 324 S HN 1.442 nan 8.310 nan 0.000 0.686 325 A N -0.359 122.478 122.820 0.028 0.000 2.905 325 A HA 0.056 4.376 4.320 -0.000 0.000 0.260 325 A C 1.218 178.785 177.584 -0.029 0.000 1.398 325 A CA 1.693 53.736 52.037 0.010 0.000 0.840 325 A CB -2.376 16.645 19.000 0.035 0.000 1.059 325 A HN 2.599 nan 8.150 nan 0.000 0.647 326 S N -3.821 111.865 115.700 -0.023 0.000 1.794 326 S HA 0.187 4.657 4.470 -0.000 0.000 0.246 326 S C 0.802 175.377 174.600 -0.041 0.000 1.023 326 S CA 1.358 59.536 58.200 -0.038 0.000 1.311 326 S CB -2.016 61.148 63.200 -0.061 0.000 1.603 326 S HN 2.850 nan 8.310 nan 0.000 0.545 327 A N -0.390 122.411 122.820 -0.032 0.000 2.839 327 A HA -0.114 4.206 4.320 -0.000 0.000 0.290 327 A C 0.057 177.597 177.584 -0.073 0.000 1.436 327 A CA 0.906 52.934 52.037 -0.016 0.000 0.731 327 A CB -2.652 16.326 19.000 -0.037 0.000 1.068 327 A HN 1.693 nan 8.150 nan 0.000 0.457 328 I N -3.188 117.255 120.570 -0.212 0.000 3.555 328 I HA 0.558 4.728 4.170 -0.000 0.000 0.343 328 I C 0.078 175.922 176.117 -0.455 0.000 1.426 328 I CA -1.093 60.028 61.300 -0.299 0.000 1.157 328 I CB -0.969 36.840 38.000 -0.319 0.000 1.526 328 I HN 0.354 nan 8.210 nan 0.000 0.461 329 W N 0.628 121.840 121.300 -0.147 0.000 2.570 329 W HA 0.752 5.411 4.660 -0.000 0.000 0.337 329 W C 0.137 176.700 176.519 0.073 0.000 1.067 329 W CA -0.577 56.716 57.345 -0.086 0.000 1.229 329 W CB 1.583 30.855 29.460 -0.312 0.000 1.355 329 W HN -0.053 nan 8.180 nan 0.000 0.555 330 S N 2.385 118.374 115.700 0.481 0.000 2.482 330 S HA 0.429 4.899 4.470 -0.000 0.000 0.303 330 S C -0.856 174.090 174.600 0.577 0.000 1.091 330 S CA -0.740 57.726 58.200 0.443 0.000 1.057 330 S CB 1.566 64.924 63.200 0.264 0.000 1.031 330 S HN 0.369 nan 8.310 nan 0.000 0.485 331 I N 3.338 124.192 120.570 0.474 0.000 2.618 331 I HA 0.092 4.262 4.170 -0.000 0.000 0.284 331 I C 0.711 176.851 176.117 0.040 0.000 1.146 331 I CA 0.609 61.978 61.300 0.114 0.000 1.425 331 I CB 0.641 38.581 38.000 -0.101 0.000 1.383 331 I HN 0.530 nan 8.210 nan 0.000 0.562 332 V N 4.902 124.810 119.914 -0.010 0.000 2.788 332 V HA 0.295 4.415 4.120 -0.000 0.000 0.241 332 V C 0.067 176.154 176.094 -0.012 0.000 1.083 332 V CA 0.661 62.980 62.300 0.032 0.000 1.103 332 V CB -0.267 31.590 31.823 0.057 0.000 0.800 332 V HN 0.848 nan 8.190 nan 0.000 0.476 333 D N -0.524 119.830 120.400 -0.076 0.000 2.722 333 D HA 0.431 5.071 4.640 -0.000 0.000 0.231 333 D C -1.735 174.502 176.300 -0.106 0.000 1.218 333 D CA -0.409 53.555 54.000 -0.060 0.000 0.753 333 D CB 1.800 42.597 40.800 -0.005 0.000 1.471 333 D HN 0.148 nan 8.370 nan 0.000 0.455 334 L N 0.621 121.804 121.223 -0.067 0.000 2.371 334 L HA 0.953 5.293 4.340 -0.000 0.000 0.262 334 L C -1.359 175.504 176.870 -0.012 0.000 1.006 334 L CA -1.135 53.670 54.840 -0.059 0.000 0.818 334 L CB 1.901 43.959 42.059 -0.002 0.000 1.354 334 L HN 0.174 nan 8.230 nan 0.000 0.415 335 V N 2.848 122.748 119.914 -0.024 0.000 2.577 335 V HA 0.560 4.680 4.120 -0.000 0.000 0.294 335 V C -1.558 174.517 176.094 -0.031 0.000 1.052 335 V CA -0.452 61.848 62.300 0.000 0.000 0.891 335 V CB 1.698 33.526 31.823 0.008 0.000 1.017 335 V HN 0.941 nan 8.190 nan 0.000 0.436 336 L N 6.630 127.848 121.223 -0.008 0.000 2.305 336 L HA 0.909 5.249 4.340 -0.000 0.000 0.281 336 L C 0.088 176.865 176.870 -0.156 0.000 1.085 336 L CA 1.393 56.198 54.840 -0.059 0.000 0.813 336 L CB 1.353 43.428 42.059 0.026 0.000 1.157 336 L HN 0.989 nan 8.230 nan 0.000 0.436 337 T N 3.906 118.236 114.554 -0.373 0.000 2.711 337 T HA 0.468 4.818 4.350 -0.000 0.000 0.302 337 T C -0.973 173.199 174.700 -0.881 0.000 1.373 337 T CA -0.907 60.751 62.100 -0.737 0.000 1.000 337 T CB 0.897 69.576 68.868 -0.314 0.000 1.483 337 T HN 0.752 nan 8.240 nan 0.000 0.499 338 R N 1.773 121.725 120.500 -0.914 0.000 2.758 338 R HA 0.231 4.571 4.340 -0.000 0.000 0.263 338 R C -2.138 173.998 176.300 -0.272 0.000 1.010 338 R CA -1.039 54.785 56.100 -0.461 0.000 1.114 338 R CB -0.774 29.450 30.300 -0.127 0.000 0.985 338 R HN 0.458 nan 8.270 nan 0.000 0.439 339 P HA -0.063 nan 4.420 nan 0.000 0.271 339 P C -0.504 176.761 177.300 -0.059 0.000 1.238 339 P CA -0.178 62.846 63.100 -0.128 0.000 0.794 339 P CB 0.624 32.265 31.700 -0.097 0.000 0.959 340 L N 0.355 121.561 121.223 -0.029 0.000 2.464 340 L HA 0.335 4.675 4.340 -0.000 0.000 0.264 340 L C 0.668 177.552 176.870 0.024 0.000 1.062 340 L CA -0.278 54.579 54.840 0.028 0.000 0.935 340 L CB 0.592 42.677 42.059 0.043 0.000 1.603 340 L HN 0.434 nan 8.230 nan 0.000 0.528 341 E N 0.656 120.881 120.200 0.042 0.000 2.947 341 E HA 0.289 4.639 4.350 -0.000 0.000 0.229 341 E C -0.534 176.055 176.600 -0.019 0.000 1.158 341 E CA -0.150 56.262 56.400 0.019 0.000 1.441 341 E CB -0.083 29.645 29.700 0.047 0.000 1.414 341 E HN 0.321 nan 8.360 nan 0.000 0.432 342 L N 0.586 121.791 121.223 -0.030 0.000 2.425 342 L HA 0.063 4.403 4.340 -0.000 0.000 0.225 342 L C 1.090 177.937 176.870 -0.039 0.000 1.222 342 L CA -0.324 54.489 54.840 -0.046 0.000 0.832 342 L CB 0.150 42.183 42.059 -0.043 0.000 1.238 342 L HN 0.199 nan 8.230 nan 0.000 0.533 343 N N -1.167 117.509 118.700 -0.042 0.000 2.571 343 N HA 0.032 4.772 4.740 -0.000 0.000 0.189 343 N C -0.906 174.589 175.510 -0.025 0.000 1.154 343 N CA 0.270 53.299 53.050 -0.035 0.000 0.907 343 N CB 0.009 38.474 38.487 -0.037 0.000 0.977 343 N HN 0.155 nan 8.380 nan 0.000 0.449 344 V N 0.738 120.638 119.914 -0.025 0.000 2.482 344 V HA 0.101 4.220 4.120 -0.000 0.000 0.295 344 V C 0.917 177.000 176.094 -0.019 0.000 1.026 344 V CA -0.882 61.405 62.300 -0.022 0.000 0.856 344 V CB 1.784 33.592 31.823 -0.026 0.000 1.001 344 V HN 0.236 nan 8.190 nan 0.000 0.424 345 E N 4.383 124.575 120.200 -0.013 0.000 2.150 345 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 345 E C 1.178 177.774 176.600 -0.008 0.000 0.985 345 E CA 1.074 57.470 56.400 -0.008 0.000 0.814 345 E CB 0.110 29.808 29.700 -0.003 0.000 0.752 345 E HN 0.731 nan 8.360 nan 0.000 0.466 346 A N 1.763 124.575 122.820 -0.014 0.000 2.898 346 A HA 0.166 4.485 4.320 -0.000 0.000 0.288 346 A C -0.072 177.502 177.584 -0.016 0.000 1.771 346 A CA 0.345 52.373 52.037 -0.016 0.000 1.383 346 A CB -0.413 18.571 19.000 -0.026 0.000 1.028 346 A HN 0.174 nan 8.150 nan 0.000 0.595 347 S N 0.610 116.310 115.700 -0.001 0.000 2.540 347 S HA 0.607 5.077 4.470 -0.000 0.000 0.275 347 S C -0.302 174.330 174.600 0.053 0.000 1.123 347 S CA -0.421 57.779 58.200 0.000 0.000 0.907 347 S CB 1.127 64.312 63.200 -0.025 0.000 1.081 347 S HN 0.754 nan 8.310 nan 0.000 0.476 348 Y N 4.426 124.664 120.300 -0.104 0.000 2.784 348 Y HA 0.618 5.167 4.550 -0.000 0.000 0.267 348 Y C -0.663 175.180 175.900 -0.095 0.000 1.117 348 Y CA 0.185 58.224 58.100 -0.102 0.000 1.231 348 Y CB 0.191 38.553 38.460 -0.163 0.000 1.441 348 Y HN 0.610 nan 8.280 nan 0.000 0.469 349 L N 0.819 121.837 121.223 -0.342 0.000 2.359 349 L HA 0.457 4.797 4.340 -0.000 0.000 0.256 349 L C -1.487 175.237 176.870 -0.243 0.000 1.026 349 L CA -1.140 53.460 54.840 -0.399 0.000 0.828 349 L CB 2.236 44.058 42.059 -0.395 0.000 1.406 349 L HN -0.021 nan 8.230 nan 0.000 0.413 350 N N 1.249 119.797 118.700 -0.254 0.000 2.310 350 N HA 0.588 5.328 4.740 -0.000 0.000 0.292 350 N C -1.737 173.655 175.510 -0.197 0.000 1.049 350 N CA -0.349 52.581 53.050 -0.200 0.000 0.849 350 N CB 2.517 40.909 38.487 -0.159 0.000 1.532 350 N HN 0.277 nan 8.380 nan 0.000 0.479 351 L N 3.397 124.501 121.223 -0.199 0.000 2.316 351 L HA 0.625 4.964 4.340 -0.000 0.000 0.280 351 L C -1.145 175.632 176.870 -0.155 0.000 1.006 351 L CA -0.369 54.355 54.840 -0.194 0.000 0.836 351 L CB 0.555 42.441 42.059 -0.288 0.000 1.221 351 L HN 0.538 nan 8.230 nan 0.000 0.418 352 I N 5.807 126.308 120.570 -0.115 0.000 2.325 352 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 352 I C -0.587 175.453 176.117 -0.129 0.000 1.019 352 I CA -0.547 60.696 61.300 -0.096 0.000 1.302 352 I CB 1.273 39.232 38.000 -0.069 0.000 1.401 352 I HN 0.267 nan 8.210 nan 0.000 0.485 353 V N 7.500 127.321 119.914 -0.155 0.000 2.540 353 V HA 0.391 4.510 4.120 -0.000 0.000 0.302 353 V C -0.479 175.389 176.094 -0.376 0.000 1.035 353 V CA -0.697 61.429 62.300 -0.290 0.000 0.873 353 V CB 2.095 33.720 31.823 -0.331 0.000 0.992 353 V HN 0.416 nan 8.190 nan 0.000 0.428 354 L N 5.460 126.445 121.223 -0.397 0.000 2.319 354 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 354 L C -1.132 175.586 176.870 -0.254 0.000 1.005 354 L CA -0.058 54.615 54.840 -0.279 0.000 0.828 354 L CB 1.030 42.996 42.059 -0.155 0.000 1.227 354 L HN 0.658 nan 8.230 nan 0.000 0.415 355 W N 4.662 125.939 121.300 -0.038 0.000 2.576 355 W HA 0.728 5.388 4.660 -0.000 0.000 0.360 355 W C -0.334 176.296 176.519 0.185 0.000 1.109 355 W CA -0.688 56.699 57.345 0.069 0.000 1.237 355 W CB 1.389 30.838 29.460 -0.018 0.000 1.369 355 W HN 0.417 nan 8.180 nan 0.000 0.609 356 K N 0.324 121.108 120.400 0.641 0.000 2.527 356 K HA 0.596 4.915 4.320 -0.000 0.000 0.260 356 K C -1.426 175.432 176.600 0.430 0.000 0.937 356 K CA -0.645 55.944 56.287 0.503 0.000 0.826 356 K CB 2.055 34.700 32.500 0.243 0.000 1.359 356 K HN 0.281 nan 8.250 nan 0.000 0.434 357 S N 2.311 118.105 115.700 0.158 0.000 2.356 357 S HA 0.545 5.015 4.470 -0.000 0.000 0.171 357 S C -0.041 174.468 174.600 -0.151 0.000 1.399 357 S CA 0.491 58.542 58.200 -0.249 0.000 1.225 357 S CB -0.020 62.538 63.200 -1.071 0.000 1.271 357 S HN 1.248 nan 8.310 nan 0.000 0.427 358 G N 2.994 111.758 108.800 -0.061 0.000 2.496 358 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.243 358 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.243 358 G C 0.663 175.546 174.900 -0.029 0.000 1.176 358 G CA 0.588 45.662 45.100 -0.043 0.000 0.940 358 G HN 1.517 nan 8.290 nan 0.000 0.573 359 T N -0.633 113.905 114.554 -0.026 0.000 3.122 359 T HA 0.677 5.027 4.350 -0.000 0.000 0.250 359 T C 0.850 175.562 174.700 0.019 0.000 1.067 359 T CA 1.465 63.542 62.100 -0.038 0.000 0.966 359 T CB 0.271 69.122 68.868 -0.028 0.000 1.002 359 T HN 1.981 nan 8.240 nan 0.000 0.542 360 A N 1.746 124.608 122.820 0.069 0.000 2.304 360 A HA 0.754 5.074 4.320 -0.000 0.000 0.301 360 A C 0.443 178.205 177.584 0.296 0.000 1.132 360 A CA -0.634 51.504 52.037 0.168 0.000 0.819 360 A CB 0.855 19.964 19.000 0.182 0.000 1.094 360 A HN 0.614 nan 8.150 nan 0.000 0.492 361 S N 1.122 116.997 115.700 0.292 0.000 2.634 361 S HA 0.811 5.281 4.470 -0.000 0.000 0.296 361 S C -0.814 173.865 174.600 0.132 0.000 1.104 361 S CA -0.814 57.548 58.200 0.270 0.000 0.920 361 S CB 1.761 65.058 63.200 0.163 0.000 1.111 361 S HN 0.706 nan 8.310 nan 0.000 0.493 362 K N 0.665 121.057 120.400 -0.014 0.000 2.565 362 K HA 0.553 4.872 4.320 -0.000 0.000 0.249 362 K C -2.111 174.405 176.600 -0.140 0.000 0.958 362 K CA -0.578 55.581 56.287 -0.212 0.000 0.806 362 K CB 1.759 33.841 32.500 -0.696 0.000 1.194 362 K HN 0.711 nan 8.250 nan 0.000 0.434 363 L N 3.400 124.493 121.223 -0.216 0.000 2.341 363 L HA 0.463 4.802 4.340 -0.000 0.000 0.278 363 L C -1.245 175.506 176.870 -0.199 0.000 1.005 363 L CA -0.012 54.639 54.840 -0.315 0.000 0.818 363 L CB 1.598 43.213 42.059 -0.739 0.000 1.259 363 L HN 0.678 nan 8.230 nan 0.000 0.418 364 Q N 4.556 124.283 119.800 -0.121 0.000 2.528 364 Q HA 0.651 4.991 4.340 -0.000 0.000 0.289 364 Q C -1.511 174.530 176.000 0.068 0.000 1.091 364 Q CA -0.856 54.954 55.803 0.012 0.000 0.797 364 Q CB 3.169 31.940 28.738 0.054 0.000 1.466 364 Q HN 0.570 nan 8.270 nan 0.000 0.436 365 I N 1.880 122.548 120.570 0.163 0.000 2.512 365 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 365 I C -1.418 174.734 176.117 0.059 0.000 1.069 365 I CA -0.831 60.509 61.300 0.067 0.000 1.056 365 I CB 1.799 39.797 38.000 -0.003 0.000 1.229 365 I HN 0.342 nan 8.210 nan 0.000 0.429 366 L N 6.947 128.055 121.223 -0.192 0.000 2.260 366 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 366 L C -0.270 176.385 176.870 -0.359 0.000 1.057 366 L CA 0.136 54.595 54.840 -0.634 0.000 0.811 366 L CB 0.682 42.076 42.059 -1.108 0.000 1.184 366 L HN 0.540 nan 8.230 nan 0.000 0.429 367 N N 4.135 122.679 118.700 -0.260 0.000 2.444 367 N HA 0.411 5.151 4.740 -0.000 0.000 0.262 367 N C -1.159 174.278 175.510 -0.121 0.000 0.974 367 N CA -0.638 52.319 53.050 -0.156 0.000 0.933 367 N CB 1.333 39.764 38.487 -0.094 0.000 1.137 367 N HN 0.391 nan 8.380 nan 0.000 0.498 368 V N 2.095 121.940 119.914 -0.115 0.000 2.383 368 V HA 0.456 4.576 4.120 -0.000 0.000 0.275 368 V C 0.701 176.767 176.094 -0.047 0.000 1.036 368 V CA -0.618 61.635 62.300 -0.078 0.000 0.889 368 V CB 0.859 32.596 31.823 -0.144 0.000 0.985 368 V HN 0.593 nan 8.190 nan 0.000 0.459 369 N N 3.650 122.324 118.700 -0.044 0.000 2.048 369 N HA -0.064 4.676 4.740 -0.000 0.000 0.193 369 N C 0.323 175.804 175.510 -0.049 0.000 1.061 369 N CA 1.878 54.904 53.050 -0.040 0.000 0.849 369 N CB -0.250 38.205 38.487 -0.053 0.000 1.044 369 N HN 1.004 nan 8.380 nan 0.000 0.429 370 D N -0.509 119.816 120.400 -0.125 0.000 2.478 370 D HA 0.194 4.834 4.640 -0.000 0.000 0.263 370 D C 0.038 176.060 176.300 -0.464 0.000 1.153 370 D CA -0.548 53.320 54.000 -0.220 0.000 1.038 370 D CB 0.479 41.178 40.800 -0.168 0.000 1.120 370 D HN 0.108 nan 8.370 nan 0.000 0.564 371 E N -0.853 118.974 120.200 -0.623 0.000 2.516 371 E HA -0.062 4.287 4.350 -0.000 0.000 0.199 371 E C 0.052 176.355 176.600 -0.496 0.000 1.069 371 E CA 0.318 56.197 56.400 -0.868 0.000 0.876 371 E CB 0.082 29.381 29.700 -0.667 0.000 0.843 371 E HN 0.328 nan 8.360 nan 0.000 0.530 372 S N 0.471 115.976 115.700 -0.324 0.000 2.411 372 S HA 0.138 4.608 4.470 -0.000 0.000 0.294 372 S C -0.007 174.514 174.600 -0.131 0.000 1.115 372 S CA -0.745 57.388 58.200 -0.112 0.000 1.071 372 S CB 0.047 63.206 63.200 -0.068 0.000 0.967 372 S HN 0.017 nan 8.310 nan 0.000 0.488 373 F N 4.372 124.270 119.950 -0.088 0.000 2.763 373 F HA 0.282 4.809 4.527 -0.000 0.000 0.309 373 F C 1.520 177.302 175.800 -0.030 0.000 1.267 373 F CA -0.022 57.935 58.000 -0.072 0.000 1.417 373 F CB -0.352 38.568 39.000 -0.134 0.000 1.223 373 F HN 0.624 nan 8.300 nan 0.000 0.539 374 K N -0.803 119.674 120.400 0.128 0.000 2.435 374 K HA 0.142 4.462 4.320 -0.000 0.000 0.199 374 K C 0.152 176.877 176.600 0.207 0.000 1.153 374 K CA 0.055 56.445 56.287 0.171 0.000 0.974 374 K CB 0.490 33.043 32.500 0.088 0.000 0.997 374 K HN 0.044 nan 8.250 nan 0.000 0.547 375 N N 1.226 119.994 118.700 0.114 0.000 2.446 375 N HA 0.223 4.963 4.740 -0.000 0.000 0.265 375 N C -1.224 174.311 175.510 0.043 0.000 0.975 375 N CA -0.208 52.840 53.050 -0.002 0.000 0.928 375 N CB 1.148 39.602 38.487 -0.054 0.000 1.160 375 N HN 0.065 nan 8.380 nan 0.000 0.495 376 Y N -0.932 119.305 120.300 -0.106 0.000 2.705 376 Y HA 0.657 5.207 4.550 -0.000 0.000 0.332 376 Y C -0.939 174.872 175.900 -0.150 0.000 1.221 376 Y CA -1.126 56.877 58.100 -0.161 0.000 1.059 376 Y CB 1.630 39.952 38.460 -0.231 0.000 1.298 376 Y HN 0.229 nan 8.280 nan 0.000 0.459 377 E N 0.492 120.649 120.200 -0.071 0.000 2.321 377 E HA 0.265 4.614 4.350 -0.000 0.000 0.278 377 E C -2.393 174.201 176.600 -0.011 0.000 0.902 377 E CA -0.697 55.662 56.400 -0.069 0.000 0.758 377 E CB 1.511 31.178 29.700 -0.054 0.000 1.213 377 E HN 0.731 nan 8.360 nan 0.000 0.426 378 W N 5.257 126.606 121.300 0.082 0.000 2.358 378 W HA 0.377 5.037 4.660 -0.000 0.000 0.307 378 W C -0.069 176.455 176.519 0.008 0.000 1.203 378 W CA -0.439 56.940 57.345 0.057 0.000 1.279 378 W CB 0.656 30.163 29.460 0.078 0.000 1.264 378 W HN 0.303 nan 8.180 nan 0.000 0.474 379 I N 4.957 125.710 120.570 0.305 0.000 2.312 379 I HA 0.144 4.314 4.170 -0.000 0.000 0.290 379 I C 0.448 176.637 176.117 0.119 0.000 1.008 379 I CA -0.603 60.785 61.300 0.147 0.000 1.226 379 I CB 0.711 38.748 38.000 0.061 0.000 1.371 379 I HN 0.382 nan 8.210 nan 0.000 0.468 380 E N 4.581 124.817 120.200 0.059 0.000 2.302 380 E HA 0.593 4.943 4.350 -0.000 0.000 0.255 380 E C -0.490 176.097 176.600 -0.021 0.000 1.099 380 E CA -0.528 55.873 56.400 0.002 0.000 0.929 380 E CB 1.937 31.623 29.700 -0.022 0.000 1.203 380 E HN 0.645 nan 8.360 nan 0.000 0.459 381 S N -1.402 114.277 115.700 -0.036 0.000 2.596 381 S HA 0.373 4.843 4.470 -0.000 0.000 0.270 381 S C -0.641 173.946 174.600 -0.023 0.000 1.155 381 S CA -0.986 57.196 58.200 -0.029 0.000 0.827 381 S CB 0.892 64.107 63.200 0.025 0.000 1.130 381 S HN 0.193 nan 8.310 nan 0.000 0.467 382 V N 2.797 122.659 119.914 -0.087 0.000 2.572 382 V HA 0.271 4.391 4.120 -0.000 0.000 0.291 382 V C 0.511 176.628 176.094 0.038 0.000 1.039 382 V CA -0.392 61.849 62.300 -0.099 0.000 1.055 382 V CB 0.309 31.927 31.823 -0.342 0.000 0.969 382 V HN 0.941 nan 8.190 nan 0.000 0.482 383 N N 3.366 122.108 118.700 0.069 0.000 2.238 383 N HA 0.176 4.916 4.740 -0.000 0.000 0.222 383 N C -0.066 175.505 175.510 0.103 0.000 1.133 383 N CA -0.076 53.058 53.050 0.140 0.000 0.854 383 N CB 0.719 39.283 38.487 0.127 0.000 1.041 383 N HN 0.531 nan 8.380 nan 0.000 0.510 384 K N 0.839 121.274 120.400 0.057 0.000 2.469 384 K HA 0.274 4.594 4.320 -0.000 0.000 0.254 384 K C -0.180 176.436 176.600 0.027 0.000 0.939 384 K CA -0.427 55.895 56.287 0.057 0.000 0.812 384 K CB 2.643 35.197 32.500 0.091 0.000 1.301 384 K HN 0.027 nan 8.250 nan 0.000 0.433 385 S N 1.138 116.848 115.700 0.017 0.000 2.603 385 S HA 0.100 4.570 4.470 -0.000 0.000 0.268 385 S C 1.271 175.921 174.600 0.084 0.000 1.317 385 S CA -0.584 57.624 58.200 0.013 0.000 1.012 385 S CB 0.721 63.912 63.200 -0.015 0.000 0.926 385 S HN 0.564 nan 8.310 nan 0.000 0.539 386 L N 2.914 124.209 121.223 0.121 0.000 2.012 386 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 386 L C 2.385 179.311 176.870 0.093 0.000 1.073 386 L CA 1.677 56.604 54.840 0.144 0.000 0.748 386 L CB -1.255 40.853 42.059 0.082 0.000 0.891 386 L HN 0.719 nan 8.230 nan 0.000 0.431 387 V N 0.078 120.030 119.914 0.064 0.000 2.380 387 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 387 V C 2.325 178.439 176.094 0.033 0.000 1.063 387 V CA 2.027 64.353 62.300 0.043 0.000 1.055 387 V CB -0.785 31.032 31.823 -0.009 0.000 0.657 387 V HN 0.479 nan 8.190 nan 0.000 0.455 388 D N -0.161 120.263 120.400 0.041 0.000 2.097 388 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 388 D C 2.152 178.517 176.300 0.109 0.000 0.984 388 D CA 1.111 55.149 54.000 0.064 0.000 0.826 388 D CB -0.230 40.611 40.800 0.067 0.000 0.973 388 D HN 0.339 nan 8.370 nan 0.000 0.460 389 L N 0.628 121.919 121.223 0.114 0.000 2.083 389 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 389 L C 2.541 179.496 176.870 0.141 0.000 1.083 389 L CA 1.105 56.015 54.840 0.116 0.000 0.752 389 L CB -0.355 41.742 42.059 0.063 0.000 0.899 389 L HN 0.010 nan 8.230 nan 0.000 0.433 390 Q N -1.032 118.842 119.800 0.124 0.000 2.119 390 Q HA -0.200 4.140 4.340 -0.000 0.000 0.201 390 Q C 2.493 178.574 176.000 0.135 0.000 0.972 390 Q CA 1.721 57.602 55.803 0.130 0.000 0.847 390 Q CB -0.128 28.676 28.738 0.109 0.000 0.903 390 Q HN 0.404 nan 8.270 nan 0.000 0.433 391 S N 0.469 116.238 115.700 0.115 0.000 2.368 391 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 391 S C 1.707 176.380 174.600 0.122 0.000 1.029 391 S CA 1.075 59.336 58.200 0.101 0.000 0.988 391 S CB 0.010 63.258 63.200 0.080 0.000 0.838 391 S HN 0.307 nan 8.310 nan 0.000 0.462 392 E N -0.436 119.865 120.200 0.168 0.000 2.031 392 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 392 E C 1.172 177.846 176.600 0.123 0.000 0.994 392 E CA 1.345 57.845 56.400 0.167 0.000 0.800 392 E CB -0.152 29.710 29.700 0.269 0.000 0.752 392 E HN 0.631 nan 8.360 nan 0.000 0.447 393 H N 0.117 119.222 119.070 0.058 0.000 2.592 393 H HA 0.077 4.632 4.556 -0.000 0.000 0.291 393 H C -0.551 174.805 175.328 0.047 0.000 1.052 393 H CA 0.315 56.394 56.048 0.051 0.000 1.175 393 H CB -0.252 29.545 29.762 0.058 0.000 1.378 393 H HN 0.104 nan 8.280 nan 0.000 0.576 394 D N 0.569 121.048 120.400 0.132 0.000 2.740 394 D HA -0.200 4.440 4.640 -0.000 0.000 0.231 394 D C 0.014 176.377 176.300 0.105 0.000 1.194 394 D CA 0.367 54.423 54.000 0.094 0.000 0.673 394 D CB -0.948 39.886 40.800 0.057 0.000 0.995 394 D HN 0.501 nan 8.370 nan 0.000 0.411 395 L N -0.203 121.095 121.223 0.125 0.000 2.808 395 L HA 0.253 4.593 4.340 -0.000 0.000 0.246 395 L C 0.704 177.645 176.870 0.120 0.000 1.153 395 L CA -0.461 54.451 54.840 0.120 0.000 0.956 395 L CB 0.332 42.472 42.059 0.136 0.000 1.270 395 L HN 0.110 nan 8.230 nan 0.000 0.528 396 D N 0.744 121.210 120.400 0.109 0.000 2.316 396 D HA 0.231 4.870 4.640 -0.000 0.000 0.245 396 D C 0.730 177.100 176.300 0.116 0.000 1.171 396 D CA 0.132 54.197 54.000 0.108 0.000 0.856 396 D CB 1.175 42.026 40.800 0.084 0.000 1.090 396 D HN 0.087 nan 8.370 nan 0.000 0.476 397 I N 3.058 123.726 120.570 0.164 0.000 3.854 397 I HA -0.066 4.104 4.170 -0.000 0.000 0.312 397 I C 1.794 178.037 176.117 0.211 0.000 1.273 397 I CA 0.021 61.440 61.300 0.198 0.000 1.298 397 I CB 0.578 38.751 38.000 0.288 0.000 1.071 397 I HN 0.295 nan 8.210 nan 0.000 0.428 398 V N -0.243 119.753 119.914 0.137 0.000 2.302 398 V HA -0.093 4.027 4.120 -0.000 0.000 0.243 398 V C 1.102 177.183 176.094 -0.021 0.000 1.036 398 V CA 1.027 63.330 62.300 0.005 0.000 1.020 398 V CB -0.886 30.796 31.823 -0.235 0.000 0.657 398 V HN 0.310 nan 8.190 nan 0.000 0.453 399 T N 2.597 117.145 114.554 -0.010 0.000 2.819 399 T HA -0.013 4.337 4.350 -0.000 0.000 0.282 399 T C 0.224 174.930 174.700 0.010 0.000 1.013 399 T CA 0.471 62.563 62.100 -0.013 0.000 1.159 399 T CB -0.226 68.643 68.868 0.002 0.000 1.007 399 T HN 0.381 nan 8.240 nan 0.000 0.514 400 K N 2.903 123.300 120.400 -0.005 0.000 2.436 400 K HA 0.199 4.519 4.320 -0.000 0.000 0.275 400 K C 1.218 177.827 176.600 0.015 0.000 0.999 400 K CA -0.164 56.130 56.287 0.011 0.000 0.980 400 K CB 0.351 32.846 32.500 -0.009 0.000 0.919 400 K HN 0.752 nan 8.250 nan 0.000 0.484 401 T N -1.181 113.386 114.554 0.022 0.000 2.889 401 T HA 0.775 5.125 4.350 -0.000 0.000 0.278 401 T C 0.791 175.500 174.700 0.015 0.000 0.995 401 T CA -0.130 61.983 62.100 0.021 0.000 0.966 401 T CB 1.711 70.594 68.868 0.026 0.000 1.237 401 T HN 0.771 nan 8.240 nan 0.000 0.591 402 G N 0.478 109.288 108.800 0.017 0.000 2.659 402 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.214 402 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.214 402 G C -0.414 174.496 174.900 0.017 0.000 1.191 402 G CA 0.039 45.147 45.100 0.013 0.000 1.141 402 G HN 1.034 nan 8.290 nan 0.000 0.581 403 D N -0.122 120.286 120.400 0.012 0.000 2.438 403 D HA 0.152 4.791 4.640 -0.000 0.000 0.230 403 D C 1.727 178.041 176.300 0.023 0.000 1.248 403 D CA 1.011 55.019 54.000 0.013 0.000 0.883 403 D CB 1.228 42.032 40.800 0.007 0.000 1.233 403 D HN 1.100 nan 8.370 nan 0.000 0.500 404 V N 1.478 121.402 119.914 0.015 0.000 2.649 404 V HA -0.073 4.046 4.120 -0.000 0.000 0.248 404 V C 1.647 177.773 176.094 0.054 0.000 1.054 404 V CA 1.589 63.904 62.300 0.025 0.000 1.073 404 V CB -0.323 31.488 31.823 -0.019 0.000 0.699 404 V HN 0.553 nan 8.190 nan 0.000 0.463 405 E N 0.082 120.292 120.200 0.016 0.000 2.285 405 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 405 E C 2.196 178.858 176.600 0.104 0.000 0.997 405 E CA 0.736 57.155 56.400 0.032 0.000 0.845 405 E CB -0.067 29.613 29.700 -0.033 0.000 0.782 405 E HN 0.473 nan 8.360 nan 0.000 0.491 406 R N 1.355 121.892 120.500 0.062 0.000 2.075 406 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 406 R C 2.170 178.509 176.300 0.064 0.000 1.126 406 R CA 1.696 57.822 56.100 0.044 0.000 0.963 406 R CB -0.815 29.497 30.300 0.020 0.000 0.858 406 R HN 0.169 nan 8.270 nan 0.000 0.435 407 G N -1.373 107.481 108.800 0.090 0.000 2.598 407 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 407 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 407 G C 1.094 176.078 174.900 0.139 0.000 1.131 407 G CA 0.180 45.336 45.100 0.093 0.000 0.785 407 G HN 0.330 nan 8.290 nan 0.000 0.539 408 F N 0.537 120.485 119.950 -0.004 0.000 2.219 408 F HA 0.083 4.610 4.527 -0.000 0.000 0.294 408 F C 2.684 178.437 175.800 -0.078 0.000 1.086 408 F CA 0.500 58.510 58.000 0.016 0.000 1.330 408 F CB -0.221 38.802 39.000 0.039 0.000 1.047 408 F HN 0.149 nan 8.300 nan 0.000 0.495 409 C N 0.432 119.786 119.300 0.089 0.000 2.440 409 C HA -0.150 4.310 4.460 -0.000 0.000 0.278 409 C C 2.556 177.477 174.990 -0.116 0.000 1.295 409 C CA 0.959 59.948 59.018 -0.049 0.000 1.738 409 C CB -1.298 26.432 27.740 -0.017 0.000 1.987 409 C HN 0.469 nan 8.230 nan 0.000 0.492 410 N N 1.436 120.098 118.700 -0.063 0.000 2.043 410 N HA -0.084 4.656 4.740 -0.000 0.000 0.193 410 N C 1.602 177.056 175.510 -0.093 0.000 1.037 410 N CA 1.350 54.357 53.050 -0.072 0.000 0.851 410 N CB -0.709 37.764 38.487 -0.025 0.000 1.027 410 N HN 0.470 nan 8.380 nan 0.000 0.422 411 L N 0.880 122.068 121.223 -0.058 0.000 2.017 411 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 411 L C 2.463 179.291 176.870 -0.070 0.000 1.073 411 L CA 1.188 56.059 54.840 0.052 0.000 0.745 411 L CB -0.451 41.672 42.059 0.106 0.000 0.894 411 L HN 0.153 nan 8.230 nan 0.000 0.432 412 K N -0.023 120.068 120.400 -0.514 0.000 2.032 412 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 412 K C 2.475 178.828 176.600 -0.412 0.000 1.048 412 K CA 1.847 57.582 56.287 -0.919 0.000 0.927 412 K CB -0.179 31.629 32.500 -1.154 0.000 0.712 412 K HN 0.162 nan 8.250 nan 0.000 0.441 413 S N 0.404 115.918 115.700 -0.311 0.000 2.368 413 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 413 S C 2.119 176.559 174.600 -0.267 0.000 1.030 413 S CA 1.426 59.468 58.200 -0.262 0.000 0.999 413 S CB -0.335 62.721 63.200 -0.240 0.000 0.844 413 S HN 0.431 nan 8.310 nan 0.000 0.459 414 R N -1.244 119.107 120.500 -0.249 0.000 2.081 414 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 414 R C 1.805 177.863 176.300 -0.404 0.000 1.131 414 R CA 1.885 57.784 56.100 -0.335 0.000 0.960 414 R CB -0.406 29.673 30.300 -0.368 0.000 0.856 414 R HN 0.567 nan 8.270 nan 0.000 0.436 415 Y N -0.713 119.511 120.300 -0.127 0.000 2.436 415 Y HA 0.280 4.830 4.550 -0.000 0.000 0.288 415 Y C 1.038 176.897 175.900 -0.068 0.000 1.112 415 Y CA 0.904 58.958 58.100 -0.077 0.000 1.220 415 Y CB 0.523 38.968 38.460 -0.024 0.000 1.073 415 Y HN 0.398 nan 8.280 nan 0.000 0.552 416 G N -0.531 108.282 108.800 0.022 0.000 2.712 416 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 416 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 416 G C 0.484 175.427 174.900 0.072 0.000 1.181 416 G CA -0.239 44.861 45.100 0.001 0.000 0.762 416 G HN 0.077 nan 8.290 nan 0.000 0.641 417 T N 0.482 115.068 114.554 0.052 0.000 2.720 417 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 417 T C 2.318 177.122 174.700 0.172 0.000 1.037 417 T CA 2.269 64.436 62.100 0.113 0.000 1.144 417 T CB -0.255 68.663 68.868 0.084 0.000 0.864 417 T HN 0.693 nan 8.240 nan 0.000 0.444 418 Q N 0.168 120.073 119.800 0.176 0.000 2.077 418 Q HA -0.139 4.200 4.340 -0.000 0.000 0.206 418 Q C 2.283 178.460 176.000 0.295 0.000 0.989 418 Q CA 1.637 57.589 55.803 0.248 0.000 0.853 418 Q CB -0.269 28.647 28.738 0.297 0.000 0.907 418 Q HN 0.550 nan 8.270 nan 0.000 0.418 419 I N -0.320 120.379 120.570 0.216 0.000 2.233 419 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 419 I C 2.170 178.266 176.117 -0.034 0.000 1.093 419 I CA 0.660 61.933 61.300 -0.044 0.000 1.380 419 I CB -0.334 37.604 38.000 -0.104 0.000 1.067 419 I HN 0.212 nan 8.210 nan 0.000 0.413 420 F N 2.155 122.047 119.950 -0.096 0.000 2.091 420 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 420 F C 2.509 178.248 175.800 -0.102 0.000 1.103 420 F CA 1.921 59.834 58.000 -0.146 0.000 1.228 420 F CB -0.268 38.663 39.000 -0.114 0.000 0.984 420 F HN 0.074 nan 8.300 nan 0.000 0.477 421 E N -0.648 119.621 120.200 0.115 0.000 2.204 421 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 421 E C 2.141 178.733 176.600 -0.013 0.000 0.989 421 E CA 0.947 57.373 56.400 0.044 0.000 0.824 421 E CB -0.248 29.530 29.700 0.130 0.000 0.756 421 E HN 0.203 nan 8.360 nan 0.000 0.477 422 R N 1.389 121.895 120.500 0.011 0.000 2.148 422 R HA -0.012 4.328 4.340 -0.000 0.000 0.223 422 R C 1.831 178.079 176.300 -0.087 0.000 1.088 422 R CA 1.371 57.485 56.100 0.024 0.000 0.985 422 R CB -0.383 29.999 30.300 0.137 0.000 0.880 422 R HN 0.111 nan 8.270 nan 0.000 0.451 423 A N -0.038 122.656 122.820 -0.209 0.000 1.975 423 A HA -0.023 4.296 4.320 -0.000 0.000 0.215 423 A C 1.891 179.325 177.584 -0.250 0.000 1.170 423 A CA 0.859 52.733 52.037 -0.272 0.000 0.656 423 A CB -0.247 18.505 19.000 -0.413 0.000 0.821 423 A HN 0.451 nan 8.150 nan 0.000 0.449 424 Q N -0.803 118.819 119.800 -0.297 0.000 2.436 424 Q HA -0.127 4.212 4.340 -0.000 0.000 0.209 424 Q C 2.106 178.068 176.000 -0.063 0.000 0.965 424 Q CA 0.953 56.643 55.803 -0.189 0.000 0.910 424 Q CB 0.034 28.644 28.738 -0.215 0.000 0.980 424 Q HN 0.831 nan 8.270 nan 0.000 0.491 425 Q N 0.820 120.587 119.800 -0.055 0.000 2.008 425 Q HA -0.092 4.247 4.340 -0.000 0.000 0.196 425 Q C 1.969 177.963 176.000 -0.010 0.000 0.973 425 Q CA 0.748 56.545 55.803 -0.010 0.000 0.826 425 Q CB 0.075 28.819 28.738 0.011 0.000 0.894 425 Q HN 0.377 nan 8.270 nan 0.000 0.439 426 I N 1.271 121.826 120.570 -0.024 0.000 2.657 426 I HA -0.284 3.886 4.170 -0.000 0.000 0.261 426 I C 2.098 178.206 176.117 -0.014 0.000 1.212 426 I CA 0.694 61.983 61.300 -0.019 0.000 1.453 426 I CB -0.170 37.809 38.000 -0.036 0.000 1.092 426 I HN 0.313 nan 8.210 nan 0.000 0.452 427 L N 0.134 121.350 121.223 -0.012 0.000 2.049 427 L HA -0.158 4.182 4.340 -0.000 0.000 0.203 427 L C 2.838 179.719 176.870 0.017 0.000 1.074 427 L CA 1.618 56.473 54.840 0.025 0.000 0.749 427 L CB -0.451 41.664 42.059 0.092 0.000 0.907 427 L HN 0.301 nan 8.230 nan 0.000 0.439 428 S N -0.870 114.837 115.700 0.011 0.000 2.382 428 S HA -0.217 4.253 4.470 -0.000 0.000 0.228 428 S C 1.736 176.336 174.600 -0.000 0.000 1.027 428 S CA 1.057 59.257 58.200 -0.001 0.000 0.991 428 S CB -0.478 62.724 63.200 0.003 0.000 0.823 428 S HN 0.379 nan 8.310 nan 0.000 0.469 429 E N 1.500 121.702 120.200 0.004 0.000 2.209 429 E HA -0.058 4.291 4.350 -0.000 0.000 0.196 429 E C 1.057 177.659 176.600 0.004 0.000 0.993 429 E CA 0.803 57.206 56.400 0.006 0.000 0.819 429 E CB -0.190 29.515 29.700 0.009 0.000 0.745 429 E HN 0.594 nan 8.360 nan 0.000 0.477 430 N N 0.143 118.844 118.700 0.002 0.000 2.251 430 N HA -0.001 4.739 4.740 -0.000 0.000 0.217 430 N C -0.511 174.998 175.510 -0.002 0.000 1.124 430 N CA 0.041 53.092 53.050 0.002 0.000 0.843 430 N CB 0.641 39.130 38.487 0.004 0.000 1.024 430 N HN -0.073 nan 8.380 nan 0.000 0.501 431 K N 0.302 120.697 120.400 -0.007 0.000 3.209 431 K HA -0.162 4.158 4.320 -0.000 0.000 0.289 431 K C -0.279 176.303 176.600 -0.029 0.000 1.191 431 K CA 0.631 56.908 56.287 -0.017 0.000 0.851 431 K CB -2.081 30.411 32.500 -0.013 0.000 1.242 431 K HN 0.408 nan 8.250 nan 0.000 0.480 432 I N 2.397 122.952 120.570 -0.025 0.000 2.276 432 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 432 I C 1.009 177.045 176.117 -0.135 0.000 1.109 432 I CA -0.574 60.703 61.300 -0.039 0.000 1.229 432 I CB -0.006 38.014 38.000 0.034 0.000 1.452 432 I HN 0.060 nan 8.210 nan 0.000 0.497 433 I N 2.650 123.095 120.570 -0.208 0.000 2.493 433 I HA 0.499 4.669 4.170 -0.000 0.000 0.298 433 I C -0.046 175.766 176.117 -0.507 0.000 0.998 433 I CA -1.001 60.107 61.300 -0.320 0.000 1.137 433 I CB 1.914 39.814 38.000 -0.166 0.000 1.310 433 I HN 0.477 nan 8.210 nan 0.000 0.445 434 M N 5.514 124.668 119.600 -0.744 0.000 2.356 434 M HA 0.202 4.682 4.480 -0.000 0.000 0.348 434 M C 1.080 177.242 176.300 -0.230 0.000 1.595 434 M CA 0.298 55.206 55.300 -0.653 0.000 1.095 434 M CB 1.172 33.518 32.600 -0.423 0.000 1.963 434 M HN 1.000 nan 8.290 nan 0.000 0.459 435 A N 5.202 127.956 122.820 -0.110 0.000 1.835 435 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 435 A C 0.797 178.460 177.584 0.133 0.000 1.199 435 A CA 1.805 53.870 52.037 0.047 0.000 0.615 435 A CB -0.361 18.740 19.000 0.169 0.000 0.838 435 A HN 0.936 nan 8.150 nan 0.000 0.444 436 H N -4.239 114.809 119.070 -0.036 0.000 2.966 436 H HA 0.376 4.932 4.556 -0.000 0.000 0.330 436 H C -0.021 175.296 175.328 -0.018 0.000 1.292 436 H CA -0.469 55.563 56.048 -0.026 0.000 1.127 436 H CB -0.046 29.706 29.762 -0.016 0.000 1.863 436 H HN 0.065 nan 8.280 nan 0.000 0.543 437 N N -0.069 118.557 118.700 -0.123 0.000 2.322 437 N HA -0.149 4.591 4.740 -0.000 0.000 0.189 437 N C 0.384 175.717 175.510 -0.296 0.000 1.012 437 N CA 1.606 54.547 53.050 -0.182 0.000 0.880 437 N CB 0.102 38.549 38.487 -0.068 0.000 0.967 437 N HN 0.571 nan 8.380 nan 0.000 0.439 438 E N -0.258 119.584 120.200 -0.597 0.000 2.685 438 E HA 0.010 4.359 4.350 -0.000 0.000 0.208 438 E C -0.732 175.569 176.600 -0.499 0.000 0.996 438 E CA -0.165 55.992 56.400 -0.405 0.000 1.054 438 E CB 0.194 29.863 29.700 -0.051 0.000 1.075 438 E HN 0.192 nan 8.360 nan 0.000 0.460 439 D N 2.001 122.005 120.400 -0.659 0.000 2.540 439 D HA -0.040 4.600 4.640 -0.000 0.000 0.237 439 D C 0.831 177.152 176.300 0.036 0.000 1.181 439 D CA 0.359 54.249 54.000 -0.184 0.000 1.119 439 D CB 0.075 40.838 40.800 -0.061 0.000 1.119 439 D HN 0.162 nan 8.370 nan 0.000 0.498 440 E N 1.253 121.476 120.200 0.039 0.000 2.130 440 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 440 E C 1.504 178.156 176.600 0.087 0.000 0.998 440 E CA 0.842 57.278 56.400 0.060 0.000 0.806 440 E CB 0.116 29.848 29.700 0.053 0.000 0.738 440 E HN 0.600 nan 8.360 nan 0.000 0.459 441 E N 0.173 120.436 120.200 0.105 0.000 2.171 441 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 441 E C 1.698 178.394 176.600 0.159 0.000 0.997 441 E CA 1.141 57.606 56.400 0.108 0.000 0.810 441 E CB -0.088 29.673 29.700 0.101 0.000 0.738 441 E HN 0.462 nan 8.360 nan 0.000 0.467 442 Y N 0.538 120.852 120.300 0.022 0.000 2.117 442 Y HA -0.211 4.338 4.550 -0.000 0.000 0.277 442 Y C 2.414 178.340 175.900 0.043 0.000 1.104 442 Y CA 1.181 59.297 58.100 0.028 0.000 1.089 442 Y CB -0.332 38.145 38.460 0.027 0.000 0.999 442 Y HN 0.088 nan 8.280 nan 0.000 0.480 443 L N 0.903 122.089 121.223 -0.060 0.000 2.085 443 L HA -0.361 3.979 4.340 -0.000 0.000 0.218 443 L C 2.454 179.270 176.870 -0.091 0.000 1.080 443 L CA 1.900 56.654 54.840 -0.143 0.000 0.776 443 L CB -0.712 41.354 42.059 0.012 0.000 0.891 443 L HN 0.488 nan 8.230 nan 0.000 0.437 444 A N -0.372 122.441 122.820 -0.012 0.000 1.978 444 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 444 A C 2.006 179.575 177.584 -0.025 0.000 1.170 444 A CA 2.016 54.051 52.037 -0.004 0.000 0.636 444 A CB -0.666 18.349 19.000 0.025 0.000 0.810 444 A HN 0.661 nan 8.150 nan 0.000 0.448 445 N N -0.137 118.551 118.700 -0.020 0.000 2.109 445 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 445 N C 1.781 177.226 175.510 -0.109 0.000 1.034 445 N CA 1.074 54.110 53.050 -0.023 0.000 0.846 445 N CB -0.425 38.104 38.487 0.070 0.000 1.010 445 N HN 0.470 nan 8.380 nan 0.000 0.425 446 L N 2.003 123.096 121.223 -0.218 0.000 2.051 446 L HA -0.231 4.108 4.340 -0.000 0.000 0.214 446 L C 2.324 179.042 176.870 -0.253 0.000 1.076 446 L CA 1.394 56.045 54.840 -0.316 0.000 0.758 446 L CB -0.300 41.487 42.059 -0.453 0.000 0.890 446 L HN 0.237 nan 8.230 nan 0.000 0.433 447 E N -0.530 119.571 120.200 -0.164 0.000 2.048 447 E HA -0.253 4.096 4.350 -0.000 0.000 0.202 447 E C 1.981 178.508 176.600 -0.120 0.000 1.021 447 E CA 2.276 58.614 56.400 -0.103 0.000 0.825 447 E CB -0.524 29.153 29.700 -0.038 0.000 0.756 447 E HN 0.535 nan 8.360 nan 0.000 0.454 448 T N 1.888 116.384 114.554 -0.095 0.000 2.746 448 T HA -0.112 4.237 4.350 -0.000 0.000 0.267 448 T C 2.000 176.626 174.700 -0.123 0.000 1.039 448 T CA 0.829 62.880 62.100 -0.081 0.000 1.142 448 T CB -0.071 68.766 68.868 -0.051 0.000 0.866 448 T HN 0.025 nan 8.240 nan 0.000 0.444 449 I N 1.206 121.680 120.570 -0.161 0.000 2.163 449 I HA -0.053 4.116 4.170 -0.000 0.000 0.240 449 I C 2.413 178.357 176.117 -0.288 0.000 1.081 449 I CA 1.069 62.255 61.300 -0.190 0.000 1.353 449 I CB -1.475 36.412 38.000 -0.189 0.000 1.054 449 I HN 0.252 nan 8.210 nan 0.000 0.407 450 L N 0.094 121.063 121.223 -0.424 0.000 1.997 450 L HA -0.285 4.055 4.340 -0.000 0.000 0.216 450 L C 2.836 179.360 176.870 -0.577 0.000 1.074 450 L CA 1.735 56.140 54.840 -0.725 0.000 0.763 450 L CB -0.736 40.597 42.059 -1.209 0.000 0.890 450 L HN 0.228 nan 8.230 nan 0.000 0.434 451 R N -0.003 120.299 120.500 -0.330 0.000 2.096 451 R HA -0.210 4.130 4.340 -0.000 0.000 0.240 451 R C 1.983 178.240 176.300 -0.072 0.000 1.139 451 R CA 2.183 58.244 56.100 -0.065 0.000 0.952 451 R CB -0.261 30.042 30.300 0.004 0.000 0.854 451 R HN 0.421 nan 8.270 nan 0.000 0.436 452 D N -0.362 119.972 120.400 -0.110 0.000 2.097 452 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 452 D C 1.996 178.227 176.300 -0.115 0.000 0.984 452 D CA 1.152 55.103 54.000 -0.081 0.000 0.826 452 D CB -0.187 40.571 40.800 -0.070 0.000 0.973 452 D HN 0.092 nan 8.370 nan 0.000 0.460 453 V N 1.389 121.171 119.914 -0.220 0.000 2.287 453 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 453 V C 2.473 178.309 176.094 -0.430 0.000 1.053 453 V CA 1.883 63.968 62.300 -0.358 0.000 1.027 453 V CB -0.466 31.034 31.823 -0.538 0.000 0.646 453 V HN 0.123 nan 8.190 nan 0.000 0.447 454 K N 0.497 120.712 120.400 -0.308 0.000 2.009 454 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 454 K C 2.100 178.708 176.600 0.013 0.000 1.049 454 K CA 2.494 58.713 56.287 -0.113 0.000 0.929 454 K CB -0.980 31.579 32.500 0.099 0.000 0.714 454 K HN 0.435 nan 8.250 nan 0.000 0.440 455 T N 0.541 115.103 114.554 0.013 0.000 2.699 455 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 455 T C 1.788 176.519 174.700 0.053 0.000 1.036 455 T CA 1.528 63.651 62.100 0.039 0.000 1.147 455 T CB -0.588 68.295 68.868 0.025 0.000 0.862 455 T HN 0.467 nan 8.240 nan 0.000 0.446 456 A N 1.331 124.191 122.820 0.067 0.000 1.841 456 A HA 0.006 4.325 4.320 -0.000 0.000 0.214 456 A C 1.932 179.680 177.584 0.273 0.000 1.195 456 A CA 1.258 53.381 52.037 0.144 0.000 0.611 456 A CB -1.075 18.031 19.000 0.177 0.000 0.835 456 A HN 0.392 nan 8.150 nan 0.000 0.443 457 F N 1.005 120.984 119.950 0.048 0.000 2.184 457 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 457 F C 2.045 177.873 175.800 0.046 0.000 1.076 457 F CA 1.172 59.212 58.000 0.067 0.000 1.295 457 F CB -0.747 38.292 39.000 0.065 0.000 1.026 457 F HN 0.318 nan 8.300 nan 0.000 0.494 458 N N 0.384 119.215 118.700 0.219 0.000 2.383 458 N HA -0.068 4.672 4.740 -0.000 0.000 0.192 458 N C 0.359 175.854 175.510 -0.024 0.000 1.141 458 N CA -0.027 53.081 53.050 0.097 0.000 0.851 458 N CB -0.051 38.491 38.487 0.092 0.000 0.976 458 N HN 0.399 nan 8.380 nan 0.000 0.465 459 E N 1.328 121.438 120.200 -0.150 0.000 2.465 459 E HA 0.114 4.464 4.350 -0.000 0.000 0.260 459 E C -0.231 176.083 176.600 -0.476 0.000 0.980 459 E CA -0.415 55.706 56.400 -0.466 0.000 0.927 459 E CB 0.601 29.676 29.700 -1.041 0.000 0.934 459 E HN 0.160 nan 8.360 nan 0.000 0.459 460 A N 3.710 126.362 122.820 -0.280 0.000 2.462 460 A HA 0.118 4.438 4.320 -0.000 0.000 0.243 460 A C 0.733 178.283 177.584 -0.056 0.000 1.076 460 A CA 0.406 52.378 52.037 -0.107 0.000 0.773 460 A CB 1.117 20.114 19.000 -0.005 0.000 1.010 460 A HN 0.660 nan 8.150 nan 0.000 0.493 461 S N 0.234 115.963 115.700 0.048 0.000 2.930 461 S HA 0.350 4.820 4.470 -0.000 0.000 0.253 461 S C 0.526 175.130 174.600 0.008 0.000 1.083 461 S CA 0.951 59.227 58.200 0.127 0.000 0.836 461 S CB -0.146 63.087 63.200 0.056 0.000 0.814 461 S HN 1.931 nan 8.310 nan 0.000 0.467 462 S N -0.168 115.495 115.700 -0.063 0.000 2.636 462 S HA 0.628 5.098 4.470 -0.000 0.000 0.266 462 S C -1.475 173.103 174.600 -0.036 0.000 1.147 462 S CA -0.969 57.201 58.200 -0.049 0.000 0.815 462 S CB 0.632 63.757 63.200 -0.125 0.000 1.119 462 S HN 0.275 nan 8.310 nan 0.000 0.470 463 I N 0.952 121.514 120.570 -0.014 0.000 2.562 463 I HA 0.618 4.788 4.170 -0.000 0.000 0.301 463 I C -0.452 175.675 176.117 0.017 0.000 1.003 463 I CA -0.475 60.827 61.300 0.003 0.000 1.127 463 I CB 2.300 40.299 38.000 -0.003 0.000 1.304 463 I HN 0.680 nan 8.210 nan 0.000 0.446 464 T N 5.988 120.561 114.554 0.032 0.000 2.928 464 T HA 0.443 4.792 4.350 -0.000 0.000 0.296 464 T C -0.392 174.352 174.700 0.073 0.000 1.000 464 T CA -0.442 61.684 62.100 0.044 0.000 0.989 464 T CB 1.246 70.111 68.868 -0.005 0.000 1.005 464 T HN 0.296 nan 8.240 nan 0.000 0.442 465 L N 4.144 125.428 121.223 0.101 0.000 2.328 465 L HA 0.357 4.697 4.340 -0.000 0.000 0.280 465 L C -0.287 176.676 176.870 0.155 0.000 1.111 465 L CA -0.758 54.152 54.840 0.117 0.000 0.909 465 L CB -0.199 41.919 42.059 0.100 0.000 1.277 465 L HN 0.666 nan 8.230 nan 0.000 0.433 466 Y N 3.689 123.975 120.300 -0.023 0.000 2.620 466 Y HA 0.327 4.877 4.550 -0.000 0.000 0.330 466 Y C 1.264 177.227 175.900 0.105 0.000 1.186 466 Y CA 1.342 59.392 58.100 -0.084 0.000 1.467 466 Y CB 0.575 38.936 38.460 -0.166 0.000 1.262 466 Y HN 0.743 nan 8.280 nan 0.000 0.550 467 G N 5.178 113.954 108.800 -0.040 0.000 2.550 467 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.277 467 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.277 467 G C 0.534 175.523 174.900 0.149 0.000 1.190 467 G CA 0.472 45.673 45.100 0.167 0.000 0.971 467 G HN 0.626 nan 8.290 nan 0.000 0.559 468 D N 1.307 121.794 120.400 0.146 0.000 2.277 468 D HA 0.114 4.753 4.640 -0.000 0.000 0.209 468 D C 1.981 178.319 176.300 0.063 0.000 0.970 468 D CA 1.538 55.589 54.000 0.084 0.000 0.874 468 D CB 0.297 41.139 40.800 0.070 0.000 0.982 468 D HN 0.786 nan 8.370 nan 0.000 0.504 469 E N -0.225 119.996 120.200 0.035 0.000 2.744 469 E HA 0.106 4.456 4.350 -0.000 0.000 0.210 469 E C -0.023 176.514 176.600 -0.105 0.000 0.950 469 E CA -0.221 56.180 56.400 0.001 0.000 1.282 469 E CB 0.551 30.269 29.700 0.031 0.000 1.123 469 E HN -0.071 nan 8.360 nan 0.000 0.544 470 I N 2.997 123.490 120.570 -0.127 0.000 2.436 470 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 470 I C 0.542 176.718 176.117 0.097 0.000 1.083 470 I CA -0.485 60.705 61.300 -0.183 0.000 1.372 470 I CB -0.282 37.750 38.000 0.053 0.000 1.408 470 I HN 0.206 nan 8.210 nan 0.000 0.516 471 I N 7.192 127.900 120.570 0.229 0.000 2.533 471 I HA 0.100 4.270 4.170 -0.000 0.000 0.284 471 I C -0.014 176.245 176.117 0.238 0.000 1.109 471 I CA 0.034 61.468 61.300 0.224 0.000 1.412 471 I CB 0.812 38.956 38.000 0.240 0.000 1.396 471 I HN 0.399 nan 8.210 nan 0.000 0.543 472 L N 7.799 129.127 121.223 0.176 0.000 2.409 472 L HA 0.671 5.011 4.340 -0.000 0.000 0.262 472 L C -1.092 175.870 176.870 0.155 0.000 0.992 472 L CA -0.478 54.468 54.840 0.177 0.000 0.817 472 L CB 2.148 44.259 42.059 0.087 0.000 1.350 472 L HN 0.254 nan 8.230 nan 0.000 0.411 473 V N 4.010 124.044 119.914 0.201 0.000 2.540 473 V HA 0.578 4.698 4.120 -0.000 0.000 0.302 473 V C -0.721 175.448 176.094 0.125 0.000 1.035 473 V CA -0.806 61.583 62.300 0.147 0.000 0.873 473 V CB 1.963 33.911 31.823 0.208 0.000 0.992 473 V HN 0.790 nan 8.190 nan 0.000 0.428 474 N N 2.497 121.216 118.700 0.032 0.000 2.419 474 N HA 0.436 5.175 4.740 -0.000 0.000 0.277 474 N C -0.490 174.946 175.510 -0.124 0.000 1.006 474 N CA -0.302 52.713 53.050 -0.058 0.000 0.923 474 N CB 1.711 40.111 38.487 -0.145 0.000 1.140 474 N HN 0.609 nan 8.380 nan 0.000 0.488 475 C N 0.811 120.020 119.300 -0.151 0.000 2.347 475 C HA 0.359 4.819 4.460 -0.000 0.000 0.366 475 C C 2.289 177.330 174.990 0.084 0.000 1.241 475 C CA -0.746 58.256 59.018 -0.026 0.000 2.360 475 C CB -0.151 27.589 27.740 0.001 0.000 2.290 475 C HN 0.741 nan 8.230 nan 0.000 0.587 476 F N -0.273 119.622 119.950 -0.092 0.000 2.102 476 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 476 F C 1.766 177.563 175.800 -0.005 0.000 1.105 476 F CA 0.930 58.881 58.000 -0.081 0.000 1.239 476 F CB -0.040 38.947 39.000 -0.021 0.000 0.991 476 F HN 0.537 nan 8.300 nan 0.000 0.474 477 Q N 2.434 122.317 119.800 0.137 0.000 2.288 477 Q HA 0.171 4.511 4.340 -0.000 0.000 0.258 477 Q C -2.415 173.478 176.000 -0.179 0.000 0.957 477 Q CA -2.704 52.993 55.803 -0.177 0.000 0.919 477 Q CB 0.633 28.986 28.738 -0.642 0.000 1.185 477 Q HN -0.127 nan 8.270 nan 0.000 0.408 478 P HA -0.103 nan 4.420 nan 0.000 0.265 478 P C -0.974 175.899 177.300 -0.711 0.000 1.193 478 P CA 0.459 62.980 63.100 -0.965 0.000 0.765 478 P CB 0.240 31.156 31.700 -1.307 0.000 0.823 479 Y N -1.075 119.100 120.300 -0.209 0.000 4.912 479 Y HA -0.185 4.365 4.550 -0.000 0.000 0.252 479 Y C 0.221 176.146 175.900 0.043 0.000 0.965 479 Y CA 0.058 58.078 58.100 -0.132 0.000 1.978 479 Y CB -2.718 35.601 38.460 -0.235 0.000 1.477 479 Y HN 0.446 nan 8.280 nan 0.000 0.606 480 N N 1.512 120.230 118.700 0.030 0.000 2.399 480 N HA 0.407 5.147 4.740 -0.000 0.000 0.280 480 N C -0.576 174.832 175.510 -0.170 0.000 1.008 480 N CA -0.412 52.669 53.050 0.051 0.000 0.894 480 N CB 1.471 40.010 38.487 0.086 0.000 1.273 480 N HN 0.307 nan 8.380 nan 0.000 0.486 481 H N -0.154 119.004 119.070 0.146 0.000 2.949 481 H HA 0.448 5.004 4.556 -0.000 0.000 0.356 481 H C -0.728 174.667 175.328 0.111 0.000 1.212 481 H CA -0.604 55.516 56.048 0.121 0.000 1.136 481 H CB 2.283 32.111 29.762 0.111 0.000 1.869 481 H HN 0.305 nan 8.280 nan 0.000 0.556 482 S N 1.607 117.442 115.700 0.225 0.000 2.733 482 S HA 0.241 4.710 4.470 -0.000 0.000 0.294 482 S C -0.604 174.063 174.600 0.111 0.000 1.149 482 S CA -0.618 57.647 58.200 0.108 0.000 1.034 482 S CB 1.194 64.432 63.200 0.063 0.000 1.015 482 S HN 0.363 nan 8.310 nan 0.000 0.486 483 L N 4.268 125.514 121.223 0.038 0.000 2.292 483 L HA 0.553 4.893 4.340 -0.000 0.000 0.284 483 L C -1.526 175.299 176.870 -0.074 0.000 1.065 483 L CA -0.519 54.364 54.840 0.072 0.000 0.806 483 L CB 0.463 42.553 42.059 0.051 0.000 1.175 483 L HN 0.629 nan 8.230 nan 0.000 0.431 484 Y N 5.296 125.647 120.300 0.085 0.000 2.434 484 Y HA 0.305 4.855 4.550 -0.000 0.000 0.341 484 Y C 0.069 176.016 175.900 0.079 0.000 0.965 484 Y CA -0.256 57.872 58.100 0.046 0.000 1.205 484 Y CB 0.948 39.429 38.460 0.035 0.000 1.121 484 Y HN 0.464 nan 8.280 nan 0.000 0.507 485 K N 4.269 124.699 120.400 0.050 0.000 2.183 485 K HA 0.314 4.634 4.320 -0.000 0.000 0.274 485 K C -0.781 175.690 176.600 -0.215 0.000 1.009 485 K CA -0.986 55.298 56.287 -0.003 0.000 0.888 485 K CB 0.858 33.340 32.500 -0.029 0.000 1.078 485 K HN 0.603 nan 8.250 nan 0.000 0.459 486 L N 4.626 125.513 121.223 -0.560 0.000 2.540 486 L HA 0.028 4.367 4.340 -0.000 0.000 0.276 486 L C -0.588 176.134 176.870 -0.247 0.000 1.212 486 L CA 0.534 55.060 54.840 -0.523 0.000 0.893 486 L CB 0.087 41.674 42.059 -0.786 0.000 1.138 486 L HN 0.601 nan 8.230 nan 0.000 0.491 487 N N 2.403 121.001 118.700 -0.170 0.000 2.529 487 N HA 0.240 4.980 4.740 -0.000 0.000 0.278 487 N C -0.013 175.432 175.510 -0.108 0.000 1.146 487 N CA 0.085 53.080 53.050 -0.092 0.000 0.980 487 N CB 0.874 39.349 38.487 -0.021 0.000 1.124 487 N HN 0.771 nan 8.380 nan 0.000 0.458 488 T N -1.891 112.603 114.554 -0.100 0.000 2.732 488 T HA 0.144 4.494 4.350 -0.000 0.000 0.287 488 T C 1.436 176.011 174.700 -0.208 0.000 0.993 488 T CA -0.336 61.687 62.100 -0.128 0.000 0.966 488 T CB 0.295 69.100 68.868 -0.106 0.000 1.047 488 T HN 0.362 nan 8.240 nan 0.000 0.527 489 T N 0.798 115.176 114.554 -0.293 0.000 2.580 489 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 489 T C 2.167 176.347 174.700 -0.868 0.000 1.063 489 T CA 1.855 63.610 62.100 -0.575 0.000 1.170 489 T CB -0.772 67.733 68.868 -0.605 0.000 0.863 489 T HN 0.535 nan 8.240 nan 0.000 0.418 490 V N 1.802 121.327 119.914 -0.647 0.000 2.324 490 V HA -0.248 3.871 4.120 -0.000 0.000 0.250 490 V C 2.423 178.483 176.094 -0.057 0.000 1.060 490 V CA 1.884 63.986 62.300 -0.330 0.000 1.042 490 V CB -0.882 30.952 31.823 0.017 0.000 0.650 490 V HN 0.563 nan 8.190 nan 0.000 0.450 491 E N 0.410 120.572 120.200 -0.063 0.000 2.051 491 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 491 E C 2.195 178.919 176.600 0.207 0.000 0.991 491 E CA 1.321 57.765 56.400 0.073 0.000 0.799 491 E CB -0.326 29.421 29.700 0.079 0.000 0.748 491 E HN 0.590 nan 8.360 nan 0.000 0.449 492 N N 0.291 119.015 118.700 0.040 0.000 2.149 492 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 492 N C 1.492 177.128 175.510 0.209 0.000 1.019 492 N CA 0.999 54.092 53.050 0.072 0.000 0.857 492 N CB -0.200 38.221 38.487 -0.110 0.000 0.997 492 N HN 0.326 nan 8.380 nan 0.000 0.426 493 W N 0.721 122.131 121.300 0.183 0.000 2.381 493 W HA -0.033 4.627 4.660 -0.000 0.000 0.301 493 W C 2.191 178.840 176.519 0.216 0.000 1.205 493 W CA -0.088 57.417 57.345 0.267 0.000 1.285 493 W CB -1.500 28.162 29.460 0.337 0.000 1.133 493 W HN 0.000 nan 8.180 nan 0.000 0.521 494 F N 0.000 120.102 119.950 0.252 0.000 2.069 494 F HA -0.276 4.250 4.527 -0.000 0.000 0.298 494 F C 2.003 177.771 175.800 -0.053 0.000 1.113 494 F CA 1.788 59.790 58.000 0.005 0.000 1.214 494 F CB -0.977 37.900 39.000 -0.205 0.000 0.978 494 F HN -0.242 nan 8.300 nan 0.000 0.474 495 Y N 0.253 120.653 120.300 0.166 0.000 2.578 495 Y HA 0.079 4.629 4.550 -0.000 0.000 0.297 495 Y C 0.745 176.648 175.900 0.006 0.000 1.176 495 Y CA 0.468 58.596 58.100 0.048 0.000 1.315 495 Y CB -0.538 38.007 38.460 0.141 0.000 1.031 495 Y HN 0.164 nan 8.280 nan 0.000 0.524 496 N N -1.214 117.583 118.700 0.162 0.000 2.475 496 N HA 0.071 4.811 4.740 -0.000 0.000 0.272 496 N C 1.002 176.608 175.510 0.160 0.000 1.482 496 N CA 0.143 53.273 53.050 0.132 0.000 0.863 496 N CB 0.335 38.886 38.487 0.106 0.000 1.400 496 N HN 0.181 nan 8.380 nan 0.000 0.489 497 M N 0.292 119.915 119.600 0.038 0.000 2.065 497 M HA -0.099 4.381 4.480 -0.000 0.000 0.259 497 M C 0.626 176.886 176.300 -0.067 0.000 1.069 497 M CA 1.586 56.855 55.300 -0.051 0.000 1.110 497 M CB -0.868 31.449 32.600 -0.472 0.000 1.328 497 M HN 0.206 nan 8.290 nan 0.000 0.405 498 H N 0.408 119.533 119.070 0.092 0.000 2.794 498 H HA 0.291 4.847 4.556 -0.000 0.000 0.256 498 H C 0.693 176.073 175.328 0.086 0.000 1.637 498 H CA 0.291 56.384 56.048 0.075 0.000 1.222 498 H CB -0.171 29.611 29.762 0.035 0.000 1.545 498 H HN 0.357 nan 8.280 nan 0.000 0.518 499 S N -1.211 114.599 115.700 0.183 0.000 4.476 499 S HA -0.068 4.402 4.470 -0.000 0.000 0.193 499 S C 0.271 174.917 174.600 0.078 0.000 1.131 499 S CA -0.614 57.658 58.200 0.120 0.000 1.198 499 S CB 0.987 64.242 63.200 0.090 0.000 1.566 499 S HN 0.211 nan 8.310 nan 0.000 0.507 500 E N 3.090 123.298 120.200 0.012 0.000 3.089 500 E HA -0.027 4.323 4.350 -0.000 0.000 0.226 500 E C 0.398 176.992 176.600 -0.009 0.000 1.083 500 E CA 0.457 56.760 56.400 -0.161 0.000 0.938 500 E CB -0.142 29.073 29.700 -0.808 0.000 0.942 500 E HN 0.444 nan 8.360 nan 0.000 0.549 501 T N 2.718 117.276 114.554 0.006 0.000 2.652 501 T HA -0.166 4.183 4.350 -0.000 0.000 0.267 501 T C 1.105 175.839 174.700 0.058 0.000 1.039 501 T CA 1.853 63.980 62.100 0.045 0.000 1.153 501 T CB 0.058 68.942 68.868 0.027 0.000 0.863 501 T HN 0.608 nan 8.240 nan 0.000 0.428 502 D N 0.159 120.567 120.400 0.014 0.000 2.562 502 D HA 0.436 5.076 4.640 -0.000 0.000 0.271 502 D C 0.896 177.215 176.300 0.033 0.000 1.198 502 D CA 0.432 54.452 54.000 0.032 0.000 1.071 502 D CB -0.522 40.285 40.800 0.011 0.000 1.011 502 D HN 0.492 nan 8.370 nan 0.000 0.327 503 G N -0.536 108.261 108.800 -0.006 0.000 2.675 503 G HA2 0.138 4.098 3.960 -0.000 0.000 0.686 503 G HA3 0.138 4.098 3.960 -0.000 0.000 0.686 503 G C -0.014 174.985 174.900 0.165 0.000 1.215 503 G CA -0.047 45.053 45.100 0.000 0.000 0.777 503 G HN 0.899 nan 8.290 nan 0.000 0.638 504 S N 0.099 115.912 115.700 0.187 0.000 2.626 504 S HA 0.495 4.965 4.470 -0.000 0.000 0.257 504 S C 1.255 175.926 174.600 0.119 0.000 1.288 504 S CA 0.545 58.835 58.200 0.150 0.000 0.980 504 S CB 1.273 64.578 63.200 0.176 0.000 0.975 504 S HN 0.733 nan 8.310 nan 0.000 0.577 505 E N -0.148 120.105 120.200 0.088 0.000 2.051 505 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 505 E C 1.876 178.444 176.600 -0.053 0.000 0.991 505 E CA 0.824 57.291 56.400 0.112 0.000 0.799 505 E CB -0.642 29.127 29.700 0.114 0.000 0.748 505 E HN 0.601 nan 8.360 nan 0.000 0.449 506 L N 0.639 121.761 121.223 -0.169 0.000 2.079 506 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 506 L C 2.218 178.708 176.870 -0.633 0.000 1.081 506 L CA 1.427 56.050 54.840 -0.362 0.000 0.752 506 L CB -0.753 41.099 42.059 -0.346 0.000 0.896 506 L HN 0.066 nan 8.230 nan 0.000 0.433 507 F N 0.490 119.927 119.950 -0.854 0.000 2.075 507 F HA -0.210 4.317 4.527 -0.000 0.000 0.297 507 F C 2.320 177.848 175.800 -0.453 0.000 1.113 507 F CA 1.969 59.387 58.000 -0.970 0.000 1.218 507 F CB -0.393 38.176 39.000 -0.719 0.000 0.984 507 F HN 0.018 nan 8.300 nan 0.000 0.472 508 K N -1.062 119.058 120.400 -0.466 0.000 2.097 508 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 508 K C 2.038 178.423 176.600 -0.358 0.000 1.049 508 K CA 1.800 57.893 56.287 -0.324 0.000 0.933 508 K CB -0.687 31.915 32.500 0.170 0.000 0.717 508 K HN 0.452 nan 8.250 nan 0.000 0.442 509 Y N 1.604 121.443 120.300 -0.769 0.000 2.163 509 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 509 Y C 1.682 177.165 175.900 -0.695 0.000 1.136 509 Y CA 1.337 58.718 58.100 -1.200 0.000 1.147 509 Y CB -0.255 37.436 38.460 -1.282 0.000 0.987 509 Y HN -0.092 nan 8.280 nan 0.000 0.509 510 L N 0.022 120.822 121.223 -0.706 0.000 2.046 510 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 510 L C 2.761 179.288 176.870 -0.572 0.000 1.077 510 L CA 1.794 56.258 54.840 -0.626 0.000 0.747 510 L CB -0.643 41.163 42.059 -0.421 0.000 0.896 510 L HN 0.162 nan 8.230 nan 0.000 0.432 511 R N 0.216 120.304 120.500 -0.686 0.000 2.091 511 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 511 R C 2.395 178.483 176.300 -0.353 0.000 1.136 511 R CA 2.139 57.901 56.100 -0.563 0.000 0.959 511 R CB -0.273 29.574 30.300 -0.754 0.000 0.856 511 R HN 0.512 nan 8.270 nan 0.000 0.437 512 T N -1.436 112.920 114.554 -0.330 0.000 3.023 512 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 512 T C 1.798 176.377 174.700 -0.202 0.000 1.093 512 T CA 0.516 62.506 62.100 -0.183 0.000 1.129 512 T CB -0.043 68.788 68.868 -0.062 0.000 0.899 512 T HN 0.097 nan 8.240 nan 0.000 0.491 513 L N 2.174 123.174 121.223 -0.370 0.000 2.109 513 L HA 0.149 4.489 4.340 -0.000 0.000 0.207 513 L C 2.598 179.371 176.870 -0.162 0.000 1.086 513 L CA 1.422 56.069 54.840 -0.321 0.000 0.760 513 L CB -0.891 40.843 42.059 -0.542 0.000 0.910 513 L HN 0.446 nan 8.230 nan 0.000 0.437 514 N N -0.640 117.941 118.700 -0.198 0.000 2.188 514 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 514 N C 1.885 177.349 175.510 -0.076 0.000 1.018 514 N CA 1.086 54.054 53.050 -0.137 0.000 0.858 514 N CB -0.055 38.321 38.487 -0.185 0.000 0.989 514 N HN 0.385 nan 8.380 nan 0.000 0.426 515 G N 0.487 109.248 108.800 -0.064 0.000 2.505 515 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 515 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 515 G C 1.255 176.187 174.900 0.053 0.000 1.145 515 G CA 0.758 45.862 45.100 0.007 0.000 0.761 515 G HN 0.436 nan 8.290 nan 0.000 0.571 516 F N 2.030 121.935 119.950 -0.074 0.000 2.219 516 F HA 0.353 4.880 4.527 -0.000 0.000 0.294 516 F C 2.728 178.483 175.800 -0.075 0.000 1.086 516 F CA 1.007 58.968 58.000 -0.065 0.000 1.330 516 F CB -0.286 38.666 39.000 -0.079 0.000 1.047 516 F HN 0.207 nan 8.300 nan 0.000 0.495 517 A N -0.075 122.659 122.820 -0.144 0.000 2.019 517 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 517 A C 2.279 179.731 177.584 -0.219 0.000 1.164 517 A CA 1.783 53.684 52.037 -0.227 0.000 0.644 517 A CB -1.357 17.592 19.000 -0.085 0.000 0.805 517 A HN 0.505 nan 8.150 nan 0.000 0.449 518 S N -0.178 115.433 115.700 -0.149 0.000 2.474 518 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 518 S C 1.737 176.266 174.600 -0.118 0.000 0.997 518 S CA 1.658 59.802 58.200 -0.093 0.000 0.949 518 S CB -1.170 62.013 63.200 -0.029 0.000 0.766 518 S HN 0.785 nan 8.310 nan 0.000 0.517 519 T N -0.177 114.254 114.554 -0.205 0.000 3.088 519 T HA 0.327 4.677 4.350 -0.000 0.000 0.259 519 T C 0.736 175.323 174.700 -0.188 0.000 1.122 519 T CA -0.182 61.809 62.100 -0.181 0.000 1.095 519 T CB -0.548 68.202 68.868 -0.196 0.000 0.930 519 T HN 0.321 nan 8.240 nan 0.000 0.508 520 L N 2.157 123.232 121.223 -0.247 0.000 2.479 520 L HA 0.479 4.819 4.340 -0.000 0.000 0.249 520 L C 0.918 177.730 176.870 -0.096 0.000 1.178 520 L CA -0.893 53.842 54.840 -0.175 0.000 0.811 520 L CB 0.690 42.622 42.059 -0.211 0.000 1.187 520 L HN 0.310 nan 8.230 nan 0.000 0.480 521 S N -1.212 114.450 115.700 -0.064 0.000 2.681 521 S HA 0.301 4.771 4.470 -0.000 0.000 0.299 521 S C 0.441 175.026 174.600 -0.025 0.000 1.113 521 S CA -0.812 57.366 58.200 -0.037 0.000 1.013 521 S CB 1.493 64.676 63.200 -0.028 0.000 1.076 521 S HN 0.536 nan 8.310 nan 0.000 0.534 522 N N 1.321 120.018 118.700 -0.004 0.000 2.069 522 N HA -0.096 4.644 4.740 -0.000 0.000 0.191 522 N C 0.895 176.411 175.510 0.009 0.000 1.031 522 N CA 1.904 54.962 53.050 0.014 0.000 0.852 522 N CB -0.639 37.867 38.487 0.031 0.000 1.018 522 N HN 0.712 nan 8.380 nan 0.000 0.423 523 D N -0.587 119.813 120.400 -0.001 0.000 2.182 523 D HA -0.075 4.564 4.640 -0.000 0.000 0.201 523 D C 1.865 178.150 176.300 -0.025 0.000 0.986 523 D CA 0.488 54.483 54.000 -0.008 0.000 0.847 523 D CB -0.108 40.685 40.800 -0.012 0.000 0.942 523 D HN 0.048 nan 8.370 nan 0.000 0.467 524 V N 0.323 120.216 119.914 -0.035 0.000 2.323 524 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 524 V C 2.499 178.552 176.094 -0.068 0.000 1.041 524 V CA 0.994 63.261 62.300 -0.055 0.000 1.025 524 V CB -0.448 31.343 31.823 -0.054 0.000 0.656 524 V HN 0.212 nan 8.190 nan 0.000 0.451 525 L N -0.302 120.890 121.223 -0.052 0.000 2.042 525 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 525 L C 2.828 179.679 176.870 -0.032 0.000 1.076 525 L CA 1.817 56.627 54.840 -0.049 0.000 0.749 525 L CB -0.617 41.430 42.059 -0.021 0.000 0.893 525 L HN 0.270 nan 8.230 nan 0.000 0.432 526 R N -0.123 120.380 120.500 0.006 0.000 2.081 526 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 526 R C 2.560 178.837 176.300 -0.039 0.000 1.131 526 R CA 1.687 57.807 56.100 0.032 0.000 0.960 526 R CB -0.586 29.744 30.300 0.050 0.000 0.856 526 R HN 0.489 nan 8.270 nan 0.000 0.436 527 S N 0.658 116.316 115.700 -0.071 0.000 2.423 527 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 527 S C 1.994 176.476 174.600 -0.195 0.000 1.014 527 S CA 0.834 58.970 58.200 -0.107 0.000 0.965 527 S CB -0.277 62.867 63.200 -0.093 0.000 0.785 527 S HN 0.230 nan 8.310 nan 0.000 0.495 528 I N 1.244 121.662 120.570 -0.254 0.000 2.333 528 I HA -0.081 4.089 4.170 -0.000 0.000 0.246 528 I C 2.960 178.640 176.117 -0.727 0.000 1.106 528 I CA 1.083 62.078 61.300 -0.510 0.000 1.411 528 I CB -0.479 37.261 38.000 -0.433 0.000 1.082 528 I HN 0.394 nan 8.210 nan 0.000 0.420 529 S N 0.977 116.489 115.700 -0.314 0.000 2.356 529 S HA -0.257 4.213 4.470 -0.000 0.000 0.223 529 S C 2.076 176.625 174.600 -0.084 0.000 1.032 529 S CA 1.894 60.070 58.200 -0.039 0.000 1.005 529 S CB -0.121 63.226 63.200 0.245 0.000 0.867 529 S HN 0.224 nan 8.310 nan 0.000 0.449 530 K N 1.438 121.741 120.400 -0.162 0.000 2.063 530 K HA -0.046 4.273 4.320 -0.000 0.000 0.208 530 K C 2.043 178.579 176.600 -0.106 0.000 1.048 530 K CA 1.467 57.663 56.287 -0.152 0.000 0.928 530 K CB -0.240 32.191 32.500 -0.115 0.000 0.713 530 K HN 0.105 nan 8.250 nan 0.000 0.442 531 K N -0.216 120.066 120.400 -0.197 0.000 2.097 531 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 531 K C 2.028 178.629 176.600 0.001 0.000 1.049 531 K CA 1.201 57.399 56.287 -0.147 0.000 0.933 531 K CB -0.400 31.943 32.500 -0.261 0.000 0.717 531 K HN 0.175 nan 8.250 nan 0.000 0.442 532 F N 1.241 121.173 119.950 -0.030 0.000 2.216 532 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 532 F C 2.221 178.089 175.800 0.115 0.000 1.085 532 F CA 0.580 58.560 58.000 -0.033 0.000 1.326 532 F CB -0.991 37.804 39.000 -0.342 0.000 1.027 532 F HN -0.089 nan 8.300 nan 0.000 0.497 533 L N -0.491 120.923 121.223 0.317 0.000 2.141 533 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 533 L C 1.994 179.003 176.870 0.232 0.000 1.094 533 L CA 1.062 56.088 54.840 0.309 0.000 0.763 533 L CB -0.607 41.504 42.059 0.086 0.000 0.908 533 L HN 0.026 nan 8.230 nan 0.000 0.437 534 D N 0.303 120.790 120.400 0.145 0.000 2.178 534 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 534 D C 2.271 178.640 176.300 0.115 0.000 0.974 534 D CA 1.132 55.197 54.000 0.109 0.000 0.841 534 D CB 0.042 40.883 40.800 0.068 0.000 0.953 534 D HN 0.344 nan 8.370 nan 0.000 0.478 535 I N 0.785 121.445 120.570 0.151 0.000 2.226 535 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 535 I C 2.119 178.281 176.117 0.075 0.000 1.100 535 I CA 0.609 61.985 61.300 0.127 0.000 1.374 535 I CB 0.022 38.128 38.000 0.176 0.000 1.057 535 I HN -0.021 nan 8.210 nan 0.000 0.413 536 I N 0.585 121.202 120.570 0.078 0.000 2.500 536 I HA -0.157 4.013 4.170 -0.000 0.000 0.252 536 I C 2.677 178.764 176.117 -0.050 0.000 1.142 536 I CA 1.746 63.017 61.300 -0.048 0.000 1.451 536 I CB -1.437 36.437 38.000 -0.211 0.000 1.093 536 I HN 0.362 nan 8.210 nan 0.000 0.430 537 T N -1.972 112.619 114.554 0.061 0.000 3.043 537 T HA 0.202 4.552 4.350 -0.000 0.000 0.263 537 T C 1.648 176.381 174.700 0.053 0.000 1.094 537 T CA 0.867 63.017 62.100 0.082 0.000 1.127 537 T CB 0.199 69.157 68.868 0.150 0.000 0.905 537 T HN 0.441 nan 8.240 nan 0.000 0.490 538 G N 1.135 109.963 108.800 0.048 0.000 2.179 538 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 538 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 538 G C 0.628 175.553 174.900 0.041 0.000 0.990 538 G CA 0.305 45.427 45.100 0.037 0.000 0.646 538 G HN 0.518 nan 8.290 nan 0.000 0.517 539 E N -0.532 119.698 120.200 0.050 0.000 2.267 539 E HA 0.060 4.410 4.350 -0.000 0.000 0.197 539 E C 0.925 177.549 176.600 0.040 0.000 0.998 539 E CA 0.478 56.903 56.400 0.042 0.000 0.830 539 E CB 0.010 29.735 29.700 0.042 0.000 0.751 539 E HN 0.522 nan 8.360 nan 0.000 0.491 540 L N 1.944 123.196 121.223 0.049 0.000 2.297 540 L HA 0.286 4.626 4.340 -0.000 0.000 0.277 540 L C -2.354 174.541 176.870 0.041 0.000 1.040 540 L CA -2.332 52.539 54.840 0.052 0.000 0.867 540 L CB 1.031 43.135 42.059 0.076 0.000 1.244 540 L HN -0.230 nan 8.230 nan 0.000 0.433 541 P HA -0.165 nan 4.420 nan 0.000 0.261 541 P C 0.246 177.554 177.300 0.013 0.000 1.158 541 P CA 0.481 63.592 63.100 0.020 0.000 0.758 541 P CB 0.603 32.313 31.700 0.016 0.000 0.763 542 D N 2.336 122.740 120.400 0.007 0.000 2.309 542 D HA -0.149 4.491 4.640 -0.000 0.000 0.212 542 D C 1.647 177.942 176.300 -0.008 0.000 0.968 542 D CA 1.586 55.584 54.000 -0.002 0.000 0.882 542 D CB -0.046 40.751 40.800 -0.005 0.000 0.918 542 D HN 0.320 nan 8.370 nan 0.000 0.503 543 S N -0.778 114.921 115.700 -0.003 0.000 2.402 543 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 543 S C 1.127 175.722 174.600 -0.009 0.000 1.021 543 S CA 0.169 58.365 58.200 -0.006 0.000 0.974 543 S CB -0.497 62.702 63.200 -0.001 0.000 0.800 543 S HN 0.211 nan 8.310 nan 0.000 0.484 544 M N 2.632 122.229 119.600 -0.005 0.000 2.232 544 M HA 0.183 4.663 4.480 -0.000 0.000 0.321 544 M C 0.730 177.013 176.300 -0.028 0.000 1.101 544 M CA 0.002 55.297 55.300 -0.008 0.000 1.181 544 M CB 0.536 33.140 32.600 0.006 0.000 1.432 544 M HN 0.382 nan 8.290 nan 0.000 0.457 545 T N -1.748 112.783 114.554 -0.037 0.000 2.913 545 T HA 0.193 4.543 4.350 -0.000 0.000 0.287 545 T C 0.975 175.606 174.700 -0.115 0.000 1.008 545 T CA -0.764 61.296 62.100 -0.067 0.000 1.067 545 T CB 1.126 69.960 68.868 -0.057 0.000 0.996 545 T HN 0.688 nan 8.240 nan 0.000 0.513 546 T N 1.843 116.284 114.554 -0.187 0.000 2.665 546 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 546 T C 2.083 176.516 174.700 -0.444 0.000 1.035 546 T CA 1.694 63.568 62.100 -0.378 0.000 1.151 546 T CB -0.533 68.066 68.868 -0.449 0.000 0.862 546 T HN 0.547 nan 8.240 nan 0.000 0.438 547 V N 1.396 121.154 119.914 -0.261 0.000 2.469 547 V HA -0.202 3.918 4.120 -0.000 0.000 0.251 547 V C 2.424 178.506 176.094 -0.021 0.000 1.064 547 V CA 1.694 63.919 62.300 -0.126 0.000 1.066 547 V CB -0.656 31.137 31.823 -0.050 0.000 0.667 547 V HN 0.573 nan 8.190 nan 0.000 0.461 548 E N 0.052 120.236 120.200 -0.026 0.000 2.072 548 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 548 E C 2.308 178.958 176.600 0.082 0.000 0.982 548 E CA 1.107 57.524 56.400 0.028 0.000 0.803 548 E CB -0.118 29.589 29.700 0.011 0.000 0.755 548 E HN 0.616 nan 8.360 nan 0.000 0.453 549 K N 0.189 120.637 120.400 0.079 0.000 2.057 549 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 549 K C 1.923 178.746 176.600 0.373 0.000 1.050 549 K CA 1.066 57.463 56.287 0.183 0.000 0.935 549 K CB -0.146 32.457 32.500 0.171 0.000 0.715 549 K HN 0.036 nan 8.250 nan 0.000 0.439 550 F N 1.708 121.718 119.950 0.099 0.000 2.216 550 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 550 F C 2.407 178.283 175.800 0.127 0.000 1.085 550 F CA 0.975 59.052 58.000 0.129 0.000 1.326 550 F CB -1.198 37.866 39.000 0.107 0.000 1.027 550 F HN 0.011 nan 8.300 nan 0.000 0.497 551 T N -0.770 113.958 114.554 0.290 0.000 2.777 551 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 551 T C 1.883 176.717 174.700 0.223 0.000 1.040 551 T CA 1.462 63.687 62.100 0.208 0.000 1.141 551 T CB -0.315 68.630 68.868 0.127 0.000 0.868 551 T HN 0.255 nan 8.240 nan 0.000 0.444 552 D N 1.203 121.710 120.400 0.178 0.000 2.092 552 D HA -0.095 4.545 4.640 -0.000 0.000 0.193 552 D C 2.157 178.529 176.300 0.120 0.000 0.994 552 D CA 1.060 55.138 54.000 0.130 0.000 0.828 552 D CB -0.241 40.621 40.800 0.104 0.000 0.963 552 D HN 0.340 nan 8.370 nan 0.000 0.450 553 I N 0.110 120.763 120.570 0.138 0.000 2.163 553 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 553 I C 2.440 178.601 176.117 0.073 0.000 1.085 553 I CA 0.869 62.205 61.300 0.060 0.000 1.347 553 I CB -0.410 37.611 38.000 0.035 0.000 1.044 553 I HN 0.020 nan 8.210 nan 0.000 0.408 554 F N 2.020 121.980 119.950 0.017 0.000 2.026 554 F HA -0.272 4.254 4.527 -0.000 0.000 0.296 554 F C 2.515 178.332 175.800 0.028 0.000 1.133 554 F CA 1.875 59.889 58.000 0.024 0.000 1.188 554 F CB -0.366 38.659 39.000 0.043 0.000 0.968 554 F HN -0.183 nan 8.300 nan 0.000 0.476 555 K N -0.051 120.413 120.400 0.107 0.000 2.063 555 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 555 K C 1.724 178.258 176.600 -0.110 0.000 1.048 555 K CA 1.667 57.932 56.287 -0.037 0.000 0.928 555 K CB -0.338 32.225 32.500 0.105 0.000 0.713 555 K HN 0.333 nan 8.250 nan 0.000 0.442 556 N N -0.350 118.314 118.700 -0.059 0.000 2.416 556 N HA -0.041 4.699 4.740 -0.000 0.000 0.177 556 N C 1.419 176.867 175.510 -0.102 0.000 1.036 556 N CA 0.886 53.896 53.050 -0.068 0.000 0.901 556 N CB 0.162 38.627 38.487 -0.037 0.000 0.976 556 N HN 0.236 nan 8.380 nan 0.000 0.444 557 C N -0.804 118.417 119.300 -0.132 0.000 2.426 557 C HA 0.348 4.808 4.460 -0.000 0.000 0.436 557 C C 2.483 177.382 174.990 -0.152 0.000 1.380 557 C CA -0.294 58.643 59.018 -0.135 0.000 2.446 557 C CB -0.470 27.186 27.740 -0.140 0.000 2.794 557 C HN 0.239 nan 8.230 nan 0.000 0.559 558 L N 0.709 121.802 121.223 -0.217 0.000 2.298 558 L HA 0.125 4.465 4.340 -0.000 0.000 0.209 558 L C 1.050 177.738 176.870 -0.304 0.000 1.084 558 L CA 0.531 55.278 54.840 -0.156 0.000 0.816 558 L CB -0.267 41.787 42.059 -0.008 0.000 0.967 558 L HN 0.384 nan 8.230 nan 0.000 0.460 559 E N 1.433 121.170 120.200 -0.772 0.000 2.558 559 E HA -0.159 4.191 4.350 -0.000 0.000 0.255 559 E C 0.080 176.465 176.600 -0.359 0.000 0.968 559 E CA 0.199 56.191 56.400 -0.680 0.000 0.939 559 E CB 0.186 29.518 29.700 -0.613 0.000 0.921 559 E HN 0.221 nan 8.360 nan 0.000 0.477 560 N N 3.205 121.683 118.700 -0.370 0.000 2.828 560 N HA -0.186 4.553 4.740 -0.000 0.000 0.248 560 N C -0.302 175.064 175.510 -0.239 0.000 1.044 560 N CA 0.859 53.737 53.050 -0.286 0.000 0.851 560 N CB -0.666 37.712 38.487 -0.183 0.000 1.136 560 N HN 0.589 nan 8.380 nan 0.000 0.572 561 Q N -0.663 119.000 119.800 -0.228 0.000 2.179 561 Q HA 0.287 4.627 4.340 -0.000 0.000 0.213 561 Q C 0.117 176.156 176.000 0.065 0.000 0.833 561 Q CA 0.206 55.969 55.803 -0.067 0.000 0.990 561 Q CB 0.242 28.968 28.738 -0.021 0.000 1.132 561 Q HN 0.569 nan 8.270 nan 0.000 0.493 562 F N -2.172 117.759 119.950 -0.032 0.000 2.686 562 F HA 0.555 5.082 4.527 -0.000 0.000 0.311 562 F C -0.681 175.147 175.800 0.047 0.000 1.128 562 F CA -1.368 56.628 58.000 -0.006 0.000 0.946 562 F CB 0.853 39.883 39.000 0.051 0.000 1.336 562 F HN -0.366 nan 8.300 nan 0.000 0.457 563 E N 2.145 122.517 120.200 0.286 0.000 2.223 563 E HA 0.137 4.487 4.350 -0.000 0.000 0.282 563 E C 0.866 177.682 176.600 0.359 0.000 1.046 563 E CA -0.162 56.351 56.400 0.188 0.000 0.857 563 E CB 1.824 31.615 29.700 0.152 0.000 1.055 563 E HN 0.830 nan 8.360 nan 0.000 0.409 564 I N 3.643 124.320 120.570 0.178 0.000 2.423 564 I HA -0.273 3.896 4.170 -0.000 0.000 0.254 564 I C 2.113 178.372 176.117 0.236 0.000 1.151 564 I CA 1.723 63.171 61.300 0.247 0.000 1.421 564 I CB -0.401 37.654 38.000 0.092 0.000 1.079 564 I HN 0.548 nan 8.210 nan 0.000 0.431 565 T N 0.395 115.058 114.554 0.181 0.000 2.708 565 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 565 T C 1.876 176.691 174.700 0.192 0.000 1.037 565 T CA 2.065 64.254 62.100 0.149 0.000 1.146 565 T CB -0.353 68.580 68.868 0.108 0.000 0.865 565 T HN 0.456 nan 8.240 nan 0.000 0.435 566 N N 1.093 119.950 118.700 0.263 0.000 2.223 566 N HA -0.049 4.691 4.740 -0.000 0.000 0.185 566 N C 1.794 177.503 175.510 0.332 0.000 1.016 566 N CA 0.851 54.097 53.050 0.325 0.000 0.863 566 N CB -0.522 38.204 38.487 0.398 0.000 0.983 566 N HN 0.361 nan 8.380 nan 0.000 0.429 567 L N 1.629 123.036 121.223 0.306 0.000 2.093 567 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 567 L C 2.198 179.150 176.870 0.138 0.000 1.085 567 L CA 1.678 56.541 54.840 0.039 0.000 0.755 567 L CB -0.429 41.722 42.059 0.153 0.000 0.904 567 L HN -0.079 nan 8.230 nan 0.000 0.435 568 K N 0.347 120.849 120.400 0.170 0.000 2.026 568 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 568 K C 1.901 178.593 176.600 0.152 0.000 1.048 568 K CA 2.109 58.498 56.287 0.170 0.000 0.929 568 K CB -0.585 31.992 32.500 0.128 0.000 0.713 568 K HN 0.446 nan 8.250 nan 0.000 0.439 569 I N 0.627 121.270 120.570 0.121 0.000 2.163 569 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 569 I C 2.242 178.390 176.117 0.052 0.000 1.085 569 I CA 1.059 62.410 61.300 0.084 0.000 1.347 569 I CB -0.475 37.585 38.000 0.099 0.000 1.044 569 I HN 0.213 nan 8.210 nan 0.000 0.408 570 L N 0.801 122.058 121.223 0.057 0.000 1.994 570 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 570 L C 2.379 179.201 176.870 -0.081 0.000 1.071 570 L CA 1.837 56.668 54.840 -0.014 0.000 0.745 570 L CB -1.059 40.919 42.059 -0.135 0.000 0.892 570 L HN 0.166 nan 8.230 nan 0.000 0.431 571 F N 0.846 120.672 119.950 -0.205 0.000 2.120 571 F HA -0.278 4.249 4.527 -0.000 0.000 0.300 571 F C 2.159 177.792 175.800 -0.279 0.000 1.095 571 F CA 2.167 59.916 58.000 -0.419 0.000 1.249 571 F CB -0.546 38.303 39.000 -0.252 0.000 0.995 571 F HN 0.266 nan 8.300 nan 0.000 0.480 572 D N 0.392 120.679 120.400 -0.189 0.000 2.077 572 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 572 D C 2.185 178.317 176.300 -0.279 0.000 0.989 572 D CA 1.872 55.725 54.000 -0.245 0.000 0.831 572 D CB -0.674 40.083 40.800 -0.072 0.000 0.979 572 D HN 0.468 nan 8.370 nan 0.000 0.449 573 E N 0.230 120.329 120.200 -0.169 0.000 2.130 573 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 573 E C 2.165 178.689 176.600 -0.125 0.000 0.998 573 E CA 0.407 56.724 56.400 -0.138 0.000 0.806 573 E CB -0.117 29.575 29.700 -0.015 0.000 0.738 573 E HN 0.087 nan 8.360 nan 0.000 0.459 574 L N 1.545 122.702 121.223 -0.110 0.000 2.079 574 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 574 L C 1.526 178.316 176.870 -0.133 0.000 1.081 574 L CA 1.730 56.567 54.840 -0.006 0.000 0.752 574 L CB -0.641 41.240 42.059 -0.296 0.000 0.896 574 L HN 0.060 nan 8.230 nan 0.000 0.433 575 N N -1.268 117.197 118.700 -0.391 0.000 2.443 575 N HA -0.137 4.602 4.740 -0.000 0.000 0.184 575 N C 1.500 176.824 175.510 -0.310 0.000 1.037 575 N CA 1.034 53.858 53.050 -0.377 0.000 0.896 575 N CB -0.156 38.047 38.487 -0.474 0.000 0.959 575 N HN 0.429 nan 8.380 nan 0.000 0.442 576 S N -0.828 114.610 115.700 -0.437 0.000 2.671 576 S HA 0.175 4.644 4.470 -0.000 0.000 0.220 576 S C -0.116 174.099 174.600 -0.641 0.000 0.951 576 S CA -0.333 57.544 58.200 -0.539 0.000 0.932 576 S CB -0.314 62.498 63.200 -0.647 0.000 0.777 576 S HN 0.005 nan 8.310 nan 0.000 0.508 577 F N 1.440 121.313 119.950 -0.129 0.000 2.508 577 F HA 0.451 4.978 4.527 -0.000 0.000 0.325 577 F C 0.354 176.074 175.800 -0.134 0.000 1.090 577 F CA -1.754 56.169 58.000 -0.128 0.000 0.945 577 F CB 1.242 40.161 39.000 -0.136 0.000 1.156 577 F HN -0.029 nan 8.300 nan 0.000 0.463 578 D N 3.230 123.683 120.400 0.089 0.000 2.994 578 D HA 0.164 4.804 4.640 -0.000 0.000 0.240 578 D C 1.664 177.961 176.300 -0.006 0.000 1.195 578 D CA 0.324 54.339 54.000 0.025 0.000 0.957 578 D CB -0.417 40.390 40.800 0.013 0.000 1.105 578 D HN 0.542 nan 8.370 nan 0.000 0.477 579 I N 0.986 121.537 120.570 -0.033 0.000 2.404 579 I HA -0.393 3.777 4.170 -0.000 0.000 0.236 579 I C -0.626 175.492 176.117 0.002 0.000 0.953 579 I CA 1.713 62.934 61.300 -0.132 0.000 1.253 579 I CB -1.426 36.529 38.000 -0.075 0.000 0.960 579 I HN 0.314 nan 8.210 nan 0.000 0.402 580 P HA -0.140 nan 4.420 nan 0.000 0.215 580 P C 1.942 179.297 177.300 0.090 0.000 1.157 580 P CA 1.402 64.636 63.100 0.224 0.000 0.874 580 P CB 0.017 31.782 31.700 0.108 0.000 0.790 581 V N -0.512 119.416 119.914 0.023 0.000 2.295 581 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 581 V C 2.461 178.523 176.094 -0.053 0.000 1.049 581 V CA 1.840 64.138 62.300 -0.003 0.000 1.024 581 V CB -1.206 30.614 31.823 -0.005 0.000 0.648 581 V HN -0.043 nan 8.190 nan 0.000 0.447 582 V N -0.313 119.515 119.914 -0.144 0.000 2.261 582 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 582 V C 2.308 178.247 176.094 -0.258 0.000 1.047 582 V CA 2.088 64.231 62.300 -0.262 0.000 1.015 582 V CB -0.569 30.919 31.823 -0.558 0.000 0.642 582 V HN 0.440 nan 8.190 nan 0.000 0.446 583 L N 0.306 121.354 121.223 -0.292 0.000 2.131 583 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 583 L C 2.533 179.246 176.870 -0.262 0.000 1.092 583 L CA 1.499 56.171 54.840 -0.280 0.000 0.759 583 L CB -0.686 41.196 42.059 -0.295 0.000 0.903 583 L HN 0.468 nan 8.230 nan 0.000 0.435 584 N N 0.262 118.888 118.700 -0.123 0.000 2.142 584 N HA -0.228 4.511 4.740 -0.000 0.000 0.186 584 N C 1.530 177.047 175.510 0.012 0.000 1.023 584 N CA 1.792 54.850 53.050 0.014 0.000 0.852 584 N CB 0.096 38.643 38.487 0.100 0.000 0.998 584 N HN 0.314 nan 8.380 nan 0.000 0.424 585 D N 0.234 120.633 120.400 -0.002 0.000 2.123 585 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 585 D C 2.134 178.464 176.300 0.049 0.000 0.976 585 D CA 0.440 54.460 54.000 0.034 0.000 0.831 585 D CB -0.120 40.706 40.800 0.043 0.000 0.974 585 D HN 0.188 nan 8.370 nan 0.000 0.469 586 L N 0.296 121.528 121.223 0.016 0.000 1.994 586 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 586 L C 2.137 179.014 176.870 0.011 0.000 1.071 586 L CA 1.619 56.485 54.840 0.044 0.000 0.745 586 L CB -0.437 41.631 42.059 0.015 0.000 0.892 586 L HN 0.152 nan 8.230 nan 0.000 0.431 587 I N -0.283 120.266 120.570 -0.035 0.000 2.500 587 I HA -0.152 4.018 4.170 -0.000 0.000 0.252 587 I C 1.306 177.440 176.117 0.028 0.000 1.142 587 I CA 0.753 62.040 61.300 -0.021 0.000 1.451 587 I CB -0.391 37.583 38.000 -0.044 0.000 1.093 587 I HN 0.372 nan 8.210 nan 0.000 0.430 588 N N 0.302 119.028 118.700 0.043 0.000 2.254 588 N HA 0.052 4.792 4.740 -0.000 0.000 0.190 588 N C 0.924 176.461 175.510 0.045 0.000 1.107 588 N CA 0.339 53.421 53.050 0.053 0.000 0.869 588 N CB 0.277 38.803 38.487 0.066 0.000 0.983 588 N HN 0.404 nan 8.380 nan 0.000 0.487 589 N N 0.116 118.846 118.700 0.050 0.000 2.909 589 N HA 0.037 4.777 4.740 -0.000 0.000 0.243 589 N C 1.522 177.068 175.510 0.061 0.000 1.018 589 N CA 0.344 53.425 53.050 0.052 0.000 1.068 589 N CB -0.138 38.386 38.487 0.061 0.000 1.651 589 N HN -0.094 nan 8.380 nan 0.000 0.509 590 Q N 1.198 121.046 119.800 0.080 0.000 1.965 590 Q HA 0.171 4.511 4.340 -0.000 0.000 0.200 590 Q C 2.173 178.210 176.000 0.061 0.000 0.981 590 Q CA 1.567 57.420 55.803 0.083 0.000 0.834 590 Q CB -0.250 28.584 28.738 0.161 0.000 0.900 590 Q HN 0.299 nan 8.270 nan 0.000 0.426 591 M N -0.176 119.422 119.600 -0.003 0.000 2.098 591 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 591 M C 0.383 176.782 176.300 0.165 0.000 1.072 591 M CA 1.068 56.309 55.300 -0.099 0.000 1.133 591 M CB -0.024 32.440 32.600 -0.227 0.000 1.344 591 M HN -0.117 nan 8.290 nan 0.000 0.414 592 K N 2.121 122.605 120.400 0.141 0.000 2.315 592 K HA 0.163 4.483 4.320 -0.000 0.000 0.291 592 K C -2.063 174.615 176.600 0.130 0.000 1.074 592 K CA -1.344 55.063 56.287 0.200 0.000 0.936 592 K CB 0.370 32.940 32.500 0.117 0.000 1.049 592 K HN 0.057 nan 8.250 nan 0.000 0.471 593 P HA -0.010 nan 4.420 nan 0.000 0.286 593 P C 0.079 177.351 177.300 -0.047 0.000 1.278 593 P CA -0.289 62.846 63.100 0.058 0.000 0.785 593 P CB 0.497 32.245 31.700 0.079 0.000 1.269 594 G N -1.501 107.202 108.800 -0.162 0.000 2.630 594 G HA2 0.548 4.508 3.960 -0.000 0.000 0.296 594 G HA3 0.548 4.508 3.960 -0.000 0.000 0.296 594 G C -0.793 173.645 174.900 -0.770 0.000 1.285 594 G CA -0.767 44.143 45.100 -0.318 0.000 0.958 594 G HN 0.266 nan 8.290 nan 0.000 0.479 595 I N -0.003 120.240 120.570 -0.546 0.000 2.813 595 I HA 0.235 4.404 4.170 -0.000 0.000 0.287 595 I C -0.523 175.234 176.117 -0.599 0.000 1.196 595 I CA 0.174 61.150 61.300 -0.541 0.000 1.421 595 I CB 0.207 38.099 38.000 -0.180 0.000 1.365 595 I HN 0.126 nan 8.210 nan 0.000 0.591 596 F N 4.472 124.461 119.950 0.065 0.000 2.449 596 F HA 0.308 4.835 4.527 -0.000 0.000 0.342 596 F C -0.396 175.597 175.800 0.322 0.000 1.127 596 F CA -0.916 57.159 58.000 0.125 0.000 0.975 596 F CB 0.965 40.104 39.000 0.232 0.000 1.146 596 F HN 0.401 nan 8.300 nan 0.000 0.444 597 W N 3.485 124.975 121.300 0.316 0.000 2.676 597 W HA 0.302 4.962 4.660 -0.000 0.000 0.430 597 W C 0.241 176.907 176.519 0.246 0.000 0.690 597 W CA -1.461 56.017 57.345 0.221 0.000 2.297 597 W CB -0.429 29.119 29.460 0.146 0.000 1.361 597 W HN 0.573 nan 8.180 nan 0.000 0.800 598 K N 1.587 122.310 120.400 0.538 0.000 5.728 598 K HA -0.248 4.072 4.320 -0.000 0.000 0.427 598 K C 0.031 176.810 176.600 0.298 0.000 1.056 598 K CA 0.646 57.232 56.287 0.498 0.000 1.274 598 K CB -0.490 32.275 32.500 0.441 0.000 1.831 598 K HN 0.221 nan 8.250 nan 0.000 0.384 599 K N 3.469 123.947 120.400 0.130 0.000 2.502 599 K HA 0.027 4.347 4.320 -0.000 0.000 0.244 599 K C -0.824 175.334 176.600 -0.737 0.000 1.249 599 K CA -0.291 55.855 56.287 -0.234 0.000 1.193 599 K CB 0.063 32.443 32.500 -0.200 0.000 1.674 599 K HN 0.490 nan 8.250 nan 0.000 0.302 600 D N 1.290 121.489 120.400 -0.335 0.000 4.755 600 D HA -0.224 4.416 4.640 -0.000 0.000 0.197 600 D C -1.069 174.927 176.300 -0.507 0.000 1.031 600 D CA 1.323 55.176 54.000 -0.244 0.000 1.058 600 D CB -0.390 40.352 40.800 -0.098 0.000 0.992 600 D HN 0.269 nan 8.370 nan 0.000 0.549 601 F N 3.312 123.248 119.950 -0.023 0.000 2.564 601 F HA 0.283 4.809 4.527 -0.000 0.000 0.361 601 F C 0.351 176.115 175.800 -0.060 0.000 1.161 601 F CA -1.323 56.587 58.000 -0.151 0.000 1.198 601 F CB 0.539 39.279 39.000 -0.434 0.000 1.424 601 F HN 0.073 nan 8.300 nan 0.000 0.517 602 I N 1.191 121.841 120.570 0.133 0.000 3.513 602 I HA -0.243 3.927 4.170 -0.000 0.000 0.343 602 I C 0.987 177.202 176.117 0.164 0.000 1.230 602 I CA 0.673 62.067 61.300 0.157 0.000 1.530 602 I CB -0.846 37.255 38.000 0.169 0.000 1.323 602 I HN 0.492 nan 8.210 nan 0.000 0.460 603 S N 5.813 121.668 115.700 0.257 0.000 2.465 603 S HA 0.433 4.903 4.470 -0.000 0.000 0.280 603 S C 0.549 175.239 174.600 0.150 0.000 1.232 603 S CA -0.618 57.764 58.200 0.303 0.000 1.066 603 S CB 0.206 63.571 63.200 0.276 0.000 0.929 603 S HN 0.734 nan 8.310 nan 0.000 0.494 604 A N 4.687 127.590 122.820 0.138 0.000 2.454 604 A HA 0.333 4.653 4.320 -0.000 0.000 0.260 604 A C 1.195 178.803 177.584 0.039 0.000 1.106 604 A CA -0.462 51.627 52.037 0.085 0.000 0.780 604 A CB -0.251 18.808 19.000 0.097 0.000 1.044 604 A HN 1.026 nan 8.150 nan 0.000 0.498 605 I N 0.346 120.896 120.570 -0.034 0.000 2.761 605 I HA 0.211 4.381 4.170 -0.000 0.000 0.261 605 I C 0.676 176.683 176.117 -0.182 0.000 1.198 605 I CA 0.978 62.179 61.300 -0.165 0.000 1.482 605 I CB -0.326 37.608 38.000 -0.111 0.000 1.100 605 I HN 0.524 nan 8.210 nan 0.000 0.445 606 K N 0.192 120.611 120.400 0.032 0.000 2.512 606 K HA 0.299 4.619 4.320 -0.000 0.000 0.263 606 K C -1.254 175.551 176.600 0.341 0.000 0.966 606 K CA -1.000 55.405 56.287 0.197 0.000 0.851 606 K CB 1.654 34.228 32.500 0.124 0.000 1.395 606 K HN -0.102 nan 8.250 nan 0.000 0.440 607 F N 3.115 123.241 119.950 0.293 0.000 2.571 607 F HA 0.073 4.599 4.527 -0.000 0.000 0.384 607 F C 0.012 175.935 175.800 0.204 0.000 1.058 607 F CA 0.093 58.238 58.000 0.241 0.000 1.200 607 F CB 0.366 39.492 39.000 0.210 0.000 1.077 607 F HN 0.389 nan 8.300 nan 0.000 0.558 608 D N 5.285 125.413 120.400 -0.454 0.000 2.467 608 D HA 0.194 4.834 4.640 -0.000 0.000 0.220 608 D C 1.176 177.018 176.300 -0.764 0.000 1.103 608 D CA 0.158 53.913 54.000 -0.409 0.000 0.886 608 D CB 1.279 41.973 40.800 -0.177 0.000 1.025 608 D HN 0.813 nan 8.370 nan 0.000 0.514 609 G N 3.064 111.429 108.800 -0.725 0.000 2.442 609 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 609 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 609 G C 1.191 176.042 174.900 -0.081 0.000 1.141 609 G CA 0.281 45.129 45.100 -0.420 0.000 0.763 609 G HN 0.515 nan 8.290 nan 0.000 0.554 610 F N 2.783 122.638 119.950 -0.159 0.000 2.051 610 F HA -0.140 4.387 4.527 -0.000 0.000 0.296 610 F C 3.051 178.782 175.800 -0.114 0.000 1.122 610 F CA 2.405 60.327 58.000 -0.131 0.000 1.201 610 F CB -0.931 37.970 39.000 -0.164 0.000 0.978 610 F HN 0.211 nan 8.300 nan 0.000 0.472 611 T N -2.482 111.880 114.554 -0.320 0.000 2.881 611 T HA -0.173 4.177 4.350 -0.000 0.000 0.270 611 T C 2.315 176.963 174.700 -0.086 0.000 1.068 611 T CA 1.394 63.322 62.100 -0.288 0.000 1.131 611 T CB -1.033 67.693 68.868 -0.236 0.000 0.871 611 T HN 0.343 nan 8.240 nan 0.000 0.479 612 S N 1.282 116.948 115.700 -0.057 0.000 2.365 612 S HA -0.140 4.330 4.470 -0.000 0.000 0.221 612 S C 1.965 176.665 174.600 0.167 0.000 1.037 612 S CA 1.488 59.776 58.200 0.146 0.000 1.060 612 S CB -0.698 62.692 63.200 0.317 0.000 0.974 612 S HN 0.555 nan 8.310 nan 0.000 0.427 613 I N 1.337 121.947 120.570 0.067 0.000 2.315 613 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 613 I C 1.802 177.855 176.117 -0.105 0.000 1.117 613 I CA 1.270 62.539 61.300 -0.052 0.000 1.404 613 I CB -0.331 37.479 38.000 -0.316 0.000 1.071 613 I HN 0.321 nan 8.210 nan 0.000 0.419 614 I N 0.231 120.656 120.570 -0.243 0.000 2.361 614 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 614 I C 2.509 178.538 176.117 -0.147 0.000 1.133 614 I CA 1.270 62.401 61.300 -0.281 0.000 1.413 614 I CB -1.542 36.147 38.000 -0.519 0.000 1.073 614 I HN 0.256 nan 8.210 nan 0.000 0.424 615 S N 0.669 116.346 115.700 -0.039 0.000 2.357 615 S HA -0.096 4.374 4.470 -0.000 0.000 0.221 615 S C 1.941 176.520 174.600 -0.036 0.000 1.031 615 S CA 0.721 58.923 58.200 0.003 0.000 0.982 615 S CB -0.345 62.976 63.200 0.202 0.000 0.853 615 S HN 0.310 nan 8.310 nan 0.000 0.458 616 L N 2.472 123.717 121.223 0.036 0.000 2.012 616 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 616 L C 2.205 179.099 176.870 0.040 0.000 1.073 616 L CA 1.856 56.736 54.840 0.067 0.000 0.748 616 L CB -0.702 41.474 42.059 0.194 0.000 0.891 616 L HN 0.123 nan 8.230 nan 0.000 0.431 617 E N -0.379 119.837 120.200 0.026 0.000 2.085 617 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 617 E C 2.245 178.799 176.600 -0.077 0.000 0.994 617 E CA 1.530 57.923 56.400 -0.012 0.000 0.801 617 E CB -0.473 29.205 29.700 -0.035 0.000 0.743 617 E HN 0.549 nan 8.360 nan 0.000 0.453 618 S N 1.267 116.901 115.700 -0.111 0.000 2.368 618 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 618 S C 1.982 176.469 174.600 -0.188 0.000 1.030 618 S CA 0.897 59.007 58.200 -0.150 0.000 0.999 618 S CB -0.296 62.801 63.200 -0.172 0.000 0.844 618 S HN 0.153 nan 8.310 nan 0.000 0.459 619 L N 1.706 122.816 121.223 -0.188 0.000 2.083 619 L HA -0.117 4.222 4.340 -0.000 0.000 0.209 619 L C 2.197 178.902 176.870 -0.275 0.000 1.083 619 L CA 1.867 56.564 54.840 -0.239 0.000 0.752 619 L CB -0.708 41.223 42.059 -0.214 0.000 0.899 619 L HN 0.433 nan 8.230 nan 0.000 0.433 620 H N -0.697 118.155 119.070 -0.363 0.000 2.428 620 H HA -0.172 4.384 4.556 -0.000 0.000 0.296 620 H C 2.043 177.111 175.328 -0.434 0.000 1.062 620 H CA 1.739 57.473 56.048 -0.523 0.000 1.350 620 H CB 0.242 29.440 29.762 -0.939 0.000 1.403 620 H HN 0.653 nan 8.280 nan 0.000 0.533 621 Q N 0.264 119.855 119.800 -0.349 0.000 2.016 621 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 621 Q C 2.469 178.210 176.000 -0.432 0.000 0.978 621 Q CA 1.390 56.985 55.803 -0.347 0.000 0.833 621 Q CB -0.108 28.522 28.738 -0.179 0.000 0.895 621 Q HN 0.389 nan 8.270 nan 0.000 0.427 622 L N 0.730 121.719 121.223 -0.391 0.000 2.042 622 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 622 L C 2.144 178.667 176.870 -0.579 0.000 1.076 622 L CA 1.647 56.211 54.840 -0.460 0.000 0.749 622 L CB -0.422 41.368 42.059 -0.450 0.000 0.893 622 L HN 0.354 nan 8.230 nan 0.000 0.432 623 L N -1.660 119.254 121.223 -0.515 0.000 2.156 623 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 623 L C 2.435 179.149 176.870 -0.260 0.000 1.095 623 L CA 1.011 55.623 54.840 -0.380 0.000 0.770 623 L CB -0.466 41.397 42.059 -0.327 0.000 0.914 623 L HN 0.246 nan 8.230 nan 0.000 0.439 624 S N 0.254 115.693 115.700 -0.436 0.000 2.356 624 S HA -0.132 4.338 4.470 -0.000 0.000 0.223 624 S C 1.946 176.414 174.600 -0.220 0.000 1.032 624 S CA 1.177 59.169 58.200 -0.346 0.000 1.005 624 S CB -0.168 62.715 63.200 -0.529 0.000 0.867 624 S HN 0.266 nan 8.310 nan 0.000 0.449 625 I N 0.978 121.297 120.570 -0.418 0.000 2.163 625 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 625 I C 2.328 178.440 176.117 -0.009 0.000 1.085 625 I CA 1.497 62.524 61.300 -0.456 0.000 1.347 625 I CB -0.515 37.102 38.000 -0.639 0.000 1.044 625 I HN 0.422 nan 8.210 nan 0.000 0.408 626 H N -1.094 117.938 119.070 -0.063 0.000 2.352 626 H HA -0.279 4.277 4.556 -0.000 0.000 0.299 626 H C 2.185 177.599 175.328 0.142 0.000 1.097 626 H CA 1.806 57.899 56.048 0.075 0.000 1.311 626 H CB -0.113 29.739 29.762 0.150 0.000 1.377 626 H HN 0.343 nan 8.280 nan 0.000 0.504 627 Y N 1.802 122.183 120.300 0.136 0.000 2.224 627 Y HA -0.214 4.335 4.550 -0.000 0.000 0.289 627 Y C 2.683 178.666 175.900 0.138 0.000 1.146 627 Y CA 1.369 59.544 58.100 0.125 0.000 1.182 627 Y CB -0.249 38.239 38.460 0.046 0.000 0.983 627 Y HN -0.050 nan 8.280 nan 0.000 0.524 628 R N 0.216 120.719 120.500 0.005 0.000 2.062 628 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 628 R C 2.309 178.587 176.300 -0.037 0.000 1.128 628 R CA 1.748 57.803 56.100 -0.076 0.000 0.960 628 R CB -0.501 29.850 30.300 0.085 0.000 0.855 628 R HN 0.458 nan 8.270 nan 0.000 0.432 629 I N 0.431 121.026 120.570 0.042 0.000 2.091 629 I HA -0.321 3.849 4.170 -0.000 0.000 0.239 629 I C 2.202 178.317 176.117 -0.003 0.000 1.061 629 I CA 1.919 63.236 61.300 0.028 0.000 1.317 629 I CB -0.510 37.536 38.000 0.077 0.000 1.031 629 I HN 0.258 nan 8.210 nan 0.000 0.401 630 T N 1.217 115.787 114.554 0.027 0.000 2.665 630 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 630 T C 1.841 176.531 174.700 -0.017 0.000 1.035 630 T CA 1.737 63.853 62.100 0.028 0.000 1.151 630 T CB -0.479 68.459 68.868 0.117 0.000 0.862 630 T HN 0.192 nan 8.240 nan 0.000 0.438 631 L N 0.936 122.136 121.223 -0.040 0.000 2.017 631 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 631 L C 2.601 179.460 176.870 -0.018 0.000 1.073 631 L CA 1.785 56.604 54.840 -0.035 0.000 0.745 631 L CB -0.666 41.301 42.059 -0.153 0.000 0.894 631 L HN 0.273 nan 8.230 nan 0.000 0.432 632 Q N -1.269 118.500 119.800 -0.053 0.000 2.096 632 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 632 Q C 2.158 178.117 176.000 -0.068 0.000 0.982 632 Q CA 2.118 57.887 55.803 -0.058 0.000 0.850 632 Q CB -0.326 28.355 28.738 -0.094 0.000 0.901 632 Q HN 0.479 nan 8.270 nan 0.000 0.422 633 V N 1.066 120.944 119.914 -0.061 0.000 2.261 633 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 633 V C 2.240 178.369 176.094 0.058 0.000 1.047 633 V CA 1.564 63.854 62.300 -0.017 0.000 1.015 633 V CB -0.574 31.292 31.823 0.071 0.000 0.642 633 V HN 0.359 nan 8.190 nan 0.000 0.446 634 L N -0.636 120.584 121.223 -0.004 0.000 2.081 634 L HA -0.229 4.110 4.340 -0.000 0.000 0.212 634 L C 2.491 179.304 176.870 -0.094 0.000 1.080 634 L CA 1.358 56.106 54.840 -0.153 0.000 0.754 634 L CB -0.606 41.008 42.059 -0.741 0.000 0.893 634 L HN 0.368 nan 8.230 nan 0.000 0.433 635 L N 0.047 121.274 121.223 0.006 0.000 2.012 635 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 635 L C 2.746 179.560 176.870 -0.093 0.000 1.073 635 L CA 2.643 57.501 54.840 0.031 0.000 0.748 635 L CB -0.996 41.089 42.059 0.044 0.000 0.891 635 L HN 0.471 nan 8.230 nan 0.000 0.431 636 T N -3.553 110.926 114.554 -0.125 0.000 2.833 636 T HA -0.209 4.140 4.350 -0.000 0.000 0.269 636 T C 1.804 176.372 174.700 -0.220 0.000 1.054 636 T CA 1.526 63.518 62.100 -0.181 0.000 1.135 636 T CB -1.078 67.692 68.868 -0.164 0.000 0.869 636 T HN 0.333 nan 8.240 nan 0.000 0.466 637 F N 1.605 121.484 119.950 -0.119 0.000 2.407 637 F HA 0.113 4.640 4.527 -0.000 0.000 0.299 637 F C 2.519 178.261 175.800 -0.096 0.000 1.097 637 F CA 0.802 58.770 58.000 -0.053 0.000 1.422 637 F CB -0.058 38.953 39.000 0.018 0.000 1.067 637 F HN 0.204 nan 8.300 nan 0.000 0.539 638 V N -2.300 117.477 119.914 -0.228 0.000 3.608 638 V HA 0.079 4.199 4.120 -0.000 0.000 0.269 638 V C 1.422 177.440 176.094 -0.128 0.000 1.245 638 V CA 0.898 63.044 62.300 -0.255 0.000 1.138 638 V CB -0.185 31.389 31.823 -0.416 0.000 0.841 638 V HN 0.364 nan 8.190 nan 0.000 0.451 639 L N -1.213 119.833 121.223 -0.295 0.000 2.286 639 L HA 0.395 4.735 4.340 -0.000 0.000 0.203 639 L C 0.781 177.244 176.870 -0.678 0.000 1.068 639 L CA 0.528 55.011 54.840 -0.594 0.000 0.811 639 L CB 0.154 41.595 42.059 -1.030 0.000 0.989 639 L HN 0.292 nan 8.230 nan 0.000 0.467 640 F N -1.012 118.882 119.950 -0.093 0.000 2.497 640 F HA 0.224 4.751 4.527 -0.000 0.000 0.331 640 F C 0.574 176.376 175.800 0.002 0.000 1.060 640 F CA -1.411 56.554 58.000 -0.059 0.000 0.989 640 F CB 0.378 39.345 39.000 -0.055 0.000 1.245 640 F HN -0.244 nan 8.300 nan 0.000 0.486 641 D N 2.498 123.041 120.400 0.238 0.000 2.551 641 D HA 0.185 4.825 4.640 -0.000 0.000 0.223 641 D C -0.701 175.714 176.300 0.191 0.000 1.144 641 D CA 0.197 54.300 54.000 0.172 0.000 1.025 641 D CB -0.358 40.515 40.800 0.122 0.000 1.085 641 D HN 0.323 nan 8.370 nan 0.000 0.506 642 L N 1.908 123.266 121.223 0.226 0.000 2.289 642 L HA 0.173 4.513 4.340 -0.000 0.000 0.285 642 L C 0.700 177.789 176.870 0.365 0.000 1.049 642 L CA -0.987 54.008 54.840 0.259 0.000 0.804 642 L CB 1.277 43.404 42.059 0.113 0.000 1.195 642 L HN 0.102 nan 8.230 nan 0.000 0.428 643 D N 1.845 122.486 120.400 0.401 0.000 2.455 643 D HA -0.103 4.536 4.640 -0.000 0.000 0.265 643 D C 1.180 177.659 176.300 0.298 0.000 1.284 643 D CA 0.503 54.672 54.000 0.283 0.000 0.944 643 D CB 0.926 41.843 40.800 0.195 0.000 1.121 643 D HN 0.499 nan 8.370 nan 0.000 0.525 644 T N 2.897 117.551 114.554 0.166 0.000 2.946 644 T HA -0.171 4.178 4.350 -0.000 0.000 0.271 644 T C 1.414 176.129 174.700 0.024 0.000 1.104 644 T CA 1.227 63.368 62.100 0.068 0.000 1.114 644 T CB 0.080 68.916 68.868 -0.054 0.000 0.867 644 T HN 0.552 nan 8.240 nan 0.000 0.513 645 E N -0.171 120.048 120.200 0.031 0.000 2.099 645 E HA 0.045 4.395 4.350 -0.000 0.000 0.191 645 E C 2.092 178.662 176.600 -0.050 0.000 0.962 645 E CA 0.273 56.661 56.400 -0.020 0.000 0.826 645 E CB 0.034 29.721 29.700 -0.023 0.000 0.788 645 E HN 0.459 nan 8.360 nan 0.000 0.461 646 I N 0.384 120.920 120.570 -0.055 0.000 2.127 646 I HA -0.251 3.919 4.170 -0.000 0.000 0.241 646 I C 1.466 177.393 176.117 -0.317 0.000 1.075 646 I CA 1.233 62.396 61.300 -0.228 0.000 1.334 646 I CB -0.191 37.593 38.000 -0.360 0.000 1.040 646 I HN 0.098 nan 8.210 nan 0.000 0.405 647 F N 1.044 121.008 119.950 0.023 0.000 2.731 647 F HA 0.160 4.687 4.527 -0.000 0.000 0.304 647 F C 2.138 177.863 175.800 -0.126 0.000 1.133 647 F CA 0.219 58.225 58.000 0.010 0.000 1.380 647 F CB -0.876 38.228 39.000 0.173 0.000 1.079 647 F HN -0.034 nan 8.300 nan 0.000 0.550 648 G N -0.135 108.656 108.800 -0.016 0.000 2.469 648 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 648 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 648 G C 1.617 176.458 174.900 -0.098 0.000 1.150 648 G CA 0.879 45.934 45.100 -0.074 0.000 0.763 648 G HN 0.280 nan 8.290 nan 0.000 0.561 649 Q N 0.107 119.825 119.800 -0.136 0.000 1.993 649 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 649 Q C 2.421 178.369 176.000 -0.087 0.000 0.984 649 Q CA 1.587 57.299 55.803 -0.152 0.000 0.837 649 Q CB -0.633 27.954 28.738 -0.252 0.000 0.902 649 Q HN 0.582 nan 8.270 nan 0.000 0.423 650 H N -0.015 119.032 119.070 -0.038 0.000 2.319 650 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 650 H C 2.169 177.395 175.328 -0.170 0.000 1.097 650 H CA 1.705 57.728 56.048 -0.042 0.000 1.285 650 H CB -0.461 29.362 29.762 0.101 0.000 1.368 650 H HN 0.315 nan 8.280 nan 0.000 0.495 651 I N 0.609 121.083 120.570 -0.160 0.000 2.208 651 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 651 I C 2.558 178.583 176.117 -0.153 0.000 1.097 651 I CA 1.728 62.847 61.300 -0.302 0.000 1.363 651 I CB -0.337 37.477 38.000 -0.311 0.000 1.051 651 I HN 0.267 nan 8.210 nan 0.000 0.413 652 S N -0.732 114.906 115.700 -0.103 0.000 2.436 652 S HA -0.090 4.379 4.470 -0.000 0.000 0.228 652 S C 1.870 176.435 174.600 -0.059 0.000 1.014 652 S CA 1.243 59.398 58.200 -0.075 0.000 0.950 652 S CB -0.524 62.634 63.200 -0.070 0.000 0.784 652 S HN 0.336 nan 8.310 nan 0.000 0.504 653 T N 2.706 117.234 114.554 -0.045 0.000 2.857 653 T HA 0.225 4.575 4.350 -0.000 0.000 0.266 653 T C 1.647 176.312 174.700 -0.058 0.000 1.048 653 T CA 1.071 63.149 62.100 -0.037 0.000 1.139 653 T CB -0.375 68.498 68.868 0.009 0.000 0.874 653 T HN 0.298 nan 8.240 nan 0.000 0.455 654 L N 0.451 121.636 121.223 -0.063 0.000 2.027 654 L HA 0.042 4.382 4.340 -0.000 0.000 0.206 654 L C 2.388 179.229 176.870 -0.050 0.000 1.074 654 L CA 1.034 55.830 54.840 -0.074 0.000 0.745 654 L CB -0.543 41.452 42.059 -0.107 0.000 0.898 654 L HN 0.215 nan 8.230 nan 0.000 0.433 655 L N -0.291 120.885 121.223 -0.079 0.000 2.191 655 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 655 L C 2.054 178.983 176.870 0.099 0.000 1.103 655 L CA 1.368 56.197 54.840 -0.017 0.000 0.769 655 L CB -0.454 41.582 42.059 -0.038 0.000 0.908 655 L HN 0.343 nan 8.230 nan 0.000 0.438 656 D N -0.199 120.218 120.400 0.028 0.000 2.162 656 D HA -0.122 4.518 4.640 -0.000 0.000 0.203 656 D C 2.325 178.657 176.300 0.054 0.000 0.967 656 D CA 0.674 54.691 54.000 0.028 0.000 0.840 656 D CB 0.177 40.958 40.800 -0.032 0.000 0.972 656 D HN 0.168 nan 8.370 nan 0.000 0.482 657 L N -0.072 121.128 121.223 -0.039 0.000 2.109 657 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 657 L C 2.543 179.465 176.870 0.087 0.000 1.086 657 L CA 1.017 55.751 54.840 -0.176 0.000 0.760 657 L CB -0.722 41.127 42.059 -0.349 0.000 0.910 657 L HN 0.370 nan 8.230 nan 0.000 0.437 658 H N -0.429 118.706 119.070 0.108 0.000 2.321 658 H HA -0.280 4.276 4.556 -0.000 0.000 0.300 658 H C 2.260 177.794 175.328 0.343 0.000 1.087 658 H CA 2.206 58.408 56.048 0.258 0.000 1.319 658 H CB -0.243 29.641 29.762 0.202 0.000 1.379 658 H HN 0.318 nan 8.280 nan 0.000 0.501 659 Y N 1.862 122.254 120.300 0.152 0.000 2.128 659 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 659 Y C 2.687 178.649 175.900 0.104 0.000 1.154 659 Y CA 2.245 60.412 58.100 0.112 0.000 1.149 659 Y CB -0.057 38.490 38.460 0.144 0.000 0.976 659 Y HN 0.129 nan 8.280 nan 0.000 0.505 660 K N -0.218 120.383 120.400 0.335 0.000 2.057 660 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 660 K C 2.130 178.811 176.600 0.135 0.000 1.049 660 K CA 1.860 58.293 56.287 0.242 0.000 0.931 660 K CB -0.255 32.419 32.500 0.290 0.000 0.714 660 K HN 0.465 nan 8.250 nan 0.000 0.440 661 Q N 0.061 119.956 119.800 0.159 0.000 2.030 661 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 661 Q C 1.955 177.846 176.000 -0.183 0.000 0.986 661 Q CA 1.877 57.723 55.803 0.072 0.000 0.843 661 Q CB -0.268 28.594 28.738 0.206 0.000 0.904 661 Q HN 0.222 nan 8.270 nan 0.000 0.420 662 F N 0.821 120.533 119.950 -0.397 0.000 2.025 662 F HA -0.298 4.229 4.527 -0.000 0.000 0.297 662 F C 1.858 177.449 175.800 -0.348 0.000 1.132 662 F CA 1.330 59.017 58.000 -0.521 0.000 1.191 662 F CB -0.547 38.165 39.000 -0.480 0.000 0.963 662 F HN 0.018 nan 8.300 nan 0.000 0.481 663 L N -0.070 121.034 121.223 -0.199 0.000 2.010 663 L HA -0.280 4.060 4.340 -0.000 0.000 0.219 663 L C 2.433 179.174 176.870 -0.214 0.000 1.077 663 L CA 1.995 56.703 54.840 -0.219 0.000 0.773 663 L CB -1.368 40.593 42.059 -0.162 0.000 0.892 663 L HN 0.367 nan 8.230 nan 0.000 0.436 664 L N -1.230 119.900 121.223 -0.154 0.000 2.012 664 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 664 L C 2.337 179.124 176.870 -0.139 0.000 1.073 664 L CA 1.686 56.457 54.840 -0.116 0.000 0.748 664 L CB -0.410 41.596 42.059 -0.089 0.000 0.891 664 L HN 0.200 nan 8.230 nan 0.000 0.431 665 L N -0.532 120.536 121.223 -0.258 0.000 2.127 665 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 665 L C 2.251 178.990 176.870 -0.219 0.000 1.089 665 L CA 1.612 56.306 54.840 -0.244 0.000 0.757 665 L CB -0.691 41.093 42.059 -0.459 0.000 0.899 665 L HN 0.446 nan 8.230 nan 0.000 0.434 666 N N 0.041 118.498 118.700 -0.405 0.000 2.171 666 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 666 N C 1.858 177.259 175.510 -0.181 0.000 1.021 666 N CA 0.847 53.674 53.050 -0.373 0.000 0.854 666 N CB 0.028 38.216 38.487 -0.499 0.000 0.994 666 N HN 0.173 nan 8.380 nan 0.000 0.426 667 L N -0.667 120.477 121.223 -0.133 0.000 2.156 667 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 667 L C 1.947 178.782 176.870 -0.059 0.000 1.095 667 L CA 0.804 55.591 54.840 -0.088 0.000 0.770 667 L CB -0.666 41.350 42.059 -0.072 0.000 0.914 667 L HN 0.320 nan 8.230 nan 0.000 0.439 668 Y N 2.211 122.424 120.300 -0.146 0.000 2.145 668 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 668 Y C 2.784 178.577 175.900 -0.178 0.000 1.145 668 Y CA 1.749 59.763 58.100 -0.142 0.000 1.148 668 Y CB -0.097 38.308 38.460 -0.091 0.000 0.981 668 Y HN 0.122 nan 8.280 nan 0.000 0.507 669 R N -0.174 120.257 120.500 -0.115 0.000 2.297 669 R HA -0.003 4.337 4.340 -0.000 0.000 0.197 669 R C 1.765 177.937 176.300 -0.212 0.000 0.943 669 R CA 0.964 56.925 56.100 -0.232 0.000 1.038 669 R CB -0.317 29.933 30.300 -0.084 0.000 0.957 669 R HN 0.369 nan 8.270 nan 0.000 0.484 670 Q N 1.283 120.978 119.800 -0.174 0.000 2.250 670 Q HA -0.022 4.318 4.340 -0.000 0.000 0.200 670 Q C -0.438 175.464 176.000 -0.163 0.000 0.941 670 Q CA 1.095 56.811 55.803 -0.144 0.000 0.872 670 Q CB 0.680 29.353 28.738 -0.109 0.000 0.965 670 Q HN 0.232 nan 8.270 nan 0.000 0.480 671 D N -1.106 119.174 120.400 -0.200 0.000 2.686 671 D HA 0.045 4.685 4.640 -0.000 0.000 0.229 671 D C -0.286 175.874 176.300 -0.233 0.000 1.391 671 D CA 0.008 53.886 54.000 -0.203 0.000 0.948 671 D CB 0.058 40.762 40.800 -0.160 0.000 1.513 671 D HN 0.029 nan 8.370 nan 0.000 0.522 672 K N 0.213 120.440 120.400 -0.288 0.000 2.034 672 K HA -0.207 4.113 4.320 -0.000 0.000 0.214 672 K C 2.012 178.473 176.600 -0.232 0.000 1.051 672 K CA 2.145 58.286 56.287 -0.244 0.000 0.931 672 K CB -0.277 32.102 32.500 -0.201 0.000 0.715 672 K HN 0.546 nan 8.250 nan 0.000 0.446 673 C N 1.199 120.329 119.300 -0.284 0.000 2.413 673 C HA -0.141 4.318 4.460 -0.000 0.000 0.278 673 C C 2.531 177.243 174.990 -0.464 0.000 1.224 673 C CA 0.966 59.627 59.018 -0.596 0.000 1.732 673 C CB -1.020 26.445 27.740 -0.458 0.000 2.050 673 C HN 0.530 nan 8.230 nan 0.000 0.463 674 L N 0.964 122.004 121.223 -0.305 0.000 2.021 674 L HA -0.100 4.240 4.340 -0.000 0.000 0.215 674 L C 2.273 179.011 176.870 -0.220 0.000 1.074 674 L CA 2.412 57.107 54.840 -0.241 0.000 0.760 674 L CB -1.221 40.727 42.059 -0.186 0.000 0.889 674 L HN 0.516 nan 8.230 nan 0.000 0.433 675 L N -0.011 121.093 121.223 -0.199 0.000 1.989 675 L HA -0.124 4.215 4.340 -0.000 0.000 0.211 675 L C 2.567 179.346 176.870 -0.152 0.000 1.071 675 L CA 2.294 57.049 54.840 -0.142 0.000 0.749 675 L CB -1.338 40.668 42.059 -0.088 0.000 0.890 675 L HN 0.308 nan 8.230 nan 0.000 0.431 676 A N -0.862 121.828 122.820 -0.216 0.000 1.917 676 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 676 A C 2.334 179.801 177.584 -0.195 0.000 1.182 676 A CA 2.086 54.000 52.037 -0.204 0.000 0.633 676 A CB -0.871 17.884 19.000 -0.408 0.000 0.819 676 A HN 0.672 nan 8.150 nan 0.000 0.448 677 E N -0.060 119.977 120.200 -0.272 0.000 2.038 677 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 677 E C 2.055 178.561 176.600 -0.157 0.000 1.000 677 E CA 2.245 58.503 56.400 -0.236 0.000 0.803 677 E CB -0.244 29.296 29.700 -0.266 0.000 0.750 677 E HN 0.586 nan 8.360 nan 0.000 0.448 678 V N -0.575 119.256 119.914 -0.139 0.000 2.626 678 V HA -0.146 3.974 4.120 -0.000 0.000 0.252 678 V C 2.246 178.297 176.094 -0.071 0.000 1.067 678 V CA 1.066 63.307 62.300 -0.099 0.000 1.081 678 V CB -0.364 31.404 31.823 -0.092 0.000 0.686 678 V HN 0.169 nan 8.190 nan 0.000 0.468 679 L N -0.790 120.389 121.223 -0.074 0.000 2.270 679 L HA 0.277 4.616 4.340 -0.000 0.000 0.210 679 L C 2.041 178.896 176.870 -0.025 0.000 1.104 679 L CA 1.552 56.361 54.840 -0.052 0.000 0.804 679 L CB -0.417 41.605 42.059 -0.061 0.000 0.937 679 L HN 0.301 nan 8.230 nan 0.000 0.450 680 L N -1.278 119.936 121.223 -0.016 0.000 2.529 680 L HA 0.079 4.419 4.340 -0.000 0.000 0.223 680 L C 1.915 178.800 176.870 0.026 0.000 1.113 680 L CA 0.760 55.627 54.840 0.045 0.000 0.861 680 L CB -0.418 41.692 42.059 0.084 0.000 1.012 680 L HN 0.125 nan 8.230 nan 0.000 0.461 681 K N -0.829 119.554 120.400 -0.029 0.000 2.387 681 K HA -0.021 4.299 4.320 -0.000 0.000 0.198 681 K C 1.134 177.727 176.600 -0.011 0.000 1.022 681 K CA 0.125 56.386 56.287 -0.043 0.000 1.128 681 K CB 0.328 32.775 32.500 -0.089 0.000 0.853 681 K HN 0.045 nan 8.250 nan 0.000 0.523 682 D N 0.247 120.653 120.400 0.010 0.000 2.197 682 D HA -0.054 4.586 4.640 -0.000 0.000 0.212 682 D C -0.038 176.298 176.300 0.060 0.000 0.963 682 D CA 0.542 54.556 54.000 0.024 0.000 0.864 682 D CB 0.161 40.970 40.800 0.015 0.000 1.009 682 D HN 0.176 nan 8.370 nan 0.000 0.479 683 S N -0.053 115.707 115.700 0.100 0.000 2.499 683 S HA 0.263 4.733 4.470 -0.000 0.000 0.275 683 S C 1.368 176.052 174.600 0.140 0.000 1.257 683 S CA -0.064 58.243 58.200 0.178 0.000 1.050 683 S CB 1.487 64.877 63.200 0.317 0.000 0.937 683 S HN 0.202 nan 8.310 nan 0.000 0.490 684 S N 3.021 118.769 115.700 0.081 0.000 2.361 684 S HA -0.169 4.301 4.470 -0.000 0.000 0.214 684 S C 1.343 175.908 174.600 -0.059 0.000 1.034 684 S CA 0.889 59.097 58.200 0.014 0.000 1.025 684 S CB -1.027 62.174 63.200 0.001 0.000 0.996 684 S HN 0.814 nan 8.310 nan 0.000 0.422 685 E N 0.542 120.584 120.200 -0.263 0.000 2.463 685 E HA -0.019 4.331 4.350 -0.000 0.000 0.201 685 E C -0.228 176.015 176.600 -0.595 0.000 1.045 685 E CA 0.629 56.731 56.400 -0.496 0.000 0.872 685 E CB -0.204 29.044 29.700 -0.754 0.000 0.797 685 E HN 0.656 nan 8.360 nan 0.000 0.538 686 F N -0.527 119.503 119.950 0.132 0.000 2.881 686 F HA 0.132 4.659 4.527 -0.000 0.000 0.343 686 F C 1.291 177.195 175.800 0.173 0.000 1.233 686 F CA -0.412 57.676 58.000 0.147 0.000 1.262 686 F CB 0.339 39.403 39.000 0.106 0.000 0.980 686 F HN -0.134 nan 8.300 nan 0.000 0.506 687 S N -1.724 114.146 115.700 0.284 0.000 2.603 687 S HA -0.002 4.467 4.470 -0.000 0.000 0.229 687 S C 1.078 175.699 174.600 0.034 0.000 0.972 687 S CA 0.709 59.001 58.200 0.154 0.000 0.935 687 S CB -0.733 62.516 63.200 0.081 0.000 0.769 687 S HN 0.418 nan 8.310 nan 0.000 0.536 688 F N 0.871 120.915 119.950 0.156 0.000 2.778 688 F HA 0.512 5.039 4.527 -0.000 0.000 0.314 688 F C 1.477 177.444 175.800 0.277 0.000 1.073 688 F CA 0.285 58.404 58.000 0.198 0.000 1.218 688 F CB 1.126 40.220 39.000 0.156 0.000 1.037 688 F HN 0.509 nan 8.300 nan 0.000 0.594 689 G N 0.286 109.313 108.800 0.377 0.000 2.302 689 G HA2 0.280 4.239 3.960 -0.000 0.000 0.276 689 G HA3 0.280 4.239 3.960 -0.000 0.000 0.276 689 G C -1.881 173.079 174.900 0.100 0.000 1.316 689 G CA -0.552 44.694 45.100 0.244 0.000 0.988 689 G HN -0.054 nan 8.290 nan 0.000 0.479 690 V N 0.112 119.964 119.914 -0.103 0.000 3.182 690 V HA 0.838 4.958 4.120 -0.000 0.000 0.308 690 V C -1.165 174.760 176.094 -0.282 0.000 1.240 690 V CA -1.067 61.077 62.300 -0.260 0.000 1.063 690 V CB 2.351 33.689 31.823 -0.808 0.000 1.076 690 V HN 0.759 nan 8.190 nan 0.000 0.446 691 K N 2.602 122.825 120.400 -0.296 0.000 2.640 691 K HA 0.455 4.775 4.320 -0.000 0.000 0.245 691 K C -1.324 174.933 176.600 -0.572 0.000 0.962 691 K CA -0.028 55.956 56.287 -0.505 0.000 0.896 691 K CB 1.649 33.978 32.500 -0.285 0.000 1.147 691 K HN 0.601 nan 8.250 nan 0.000 0.445 692 F N -0.572 119.104 119.950 -0.458 0.000 2.443 692 F HA 0.557 5.084 4.527 -0.000 0.000 0.335 692 F C 0.312 175.809 175.800 -0.506 0.000 1.104 692 F CA -0.998 56.799 58.000 -0.339 0.000 1.013 692 F CB 0.612 39.518 39.000 -0.156 0.000 1.136 692 F HN 0.197 nan 8.300 nan 0.000 0.470 693 F N 0.624 120.708 119.950 0.223 0.000 2.680 693 F HA 0.205 4.732 4.527 -0.000 0.000 0.290 693 F C 0.387 176.251 175.800 0.108 0.000 1.114 693 F CA -0.353 57.724 58.000 0.129 0.000 1.333 693 F CB -0.108 38.905 39.000 0.021 0.000 1.091 693 F HN 0.553 nan 8.300 nan 0.000 0.606 694 N N -2.390 116.441 118.700 0.218 0.000 2.653 694 N HA 0.145 4.885 4.740 -0.000 0.000 0.294 694 N C 0.052 175.556 175.510 -0.011 0.000 1.305 694 N CA -0.738 52.349 53.050 0.062 0.000 0.827 694 N CB -0.092 38.453 38.487 0.097 0.000 1.415 694 N HN -0.189 nan 8.380 nan 0.000 0.546 695 Y N -0.614 119.731 120.300 0.076 0.000 2.314 695 Y HA 0.150 4.700 4.550 -0.000 0.000 0.293 695 Y C 2.354 178.246 175.900 -0.014 0.000 1.129 695 Y CA 1.683 59.787 58.100 0.007 0.000 1.201 695 Y CB -0.662 37.797 38.460 -0.001 0.000 0.999 695 Y HN 0.799 nan 8.280 nan 0.000 0.541 696 G N -0.576 108.314 108.800 0.151 0.000 2.421 696 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 696 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 696 G C 1.476 176.408 174.900 0.054 0.000 1.171 696 G CA 0.848 45.997 45.100 0.082 0.000 0.775 696 G HN 0.368 nan 8.290 nan 0.000 0.543 697 Q N -0.596 119.241 119.800 0.061 0.000 2.096 697 Q HA -0.074 4.265 4.340 -0.000 0.000 0.204 697 Q C 2.481 178.534 176.000 0.089 0.000 0.982 697 Q CA 1.254 57.095 55.803 0.063 0.000 0.850 697 Q CB -0.287 28.524 28.738 0.122 0.000 0.901 697 Q HN 0.432 nan 8.270 nan 0.000 0.422 698 L N 0.647 121.859 121.223 -0.018 0.000 1.994 698 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 698 L C 2.015 178.826 176.870 -0.099 0.000 1.071 698 L CA 1.659 56.341 54.840 -0.264 0.000 0.745 698 L CB -0.386 41.356 42.059 -0.527 0.000 0.892 698 L HN 0.218 nan 8.230 nan 0.000 0.431 699 I N -0.298 120.251 120.570 -0.036 0.000 2.208 699 I HA -0.351 3.818 4.170 -0.000 0.000 0.245 699 I C 2.618 178.743 176.117 0.013 0.000 1.097 699 I CA 1.283 62.567 61.300 -0.026 0.000 1.363 699 I CB -0.724 37.274 38.000 -0.004 0.000 1.051 699 I HN 0.431 nan 8.210 nan 0.000 0.413 700 A N 0.279 123.143 122.820 0.074 0.000 1.883 700 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 700 A C 2.309 180.036 177.584 0.238 0.000 1.186 700 A CA 1.863 53.994 52.037 0.156 0.000 0.624 700 A CB -1.143 17.930 19.000 0.122 0.000 0.822 700 A HN 0.528 nan 8.150 nan 0.000 0.444 701 Y N 0.649 121.029 120.300 0.134 0.000 2.224 701 Y HA -0.191 4.358 4.550 -0.000 0.000 0.289 701 Y C 2.015 177.783 175.900 -0.221 0.000 1.146 701 Y CA 1.274 59.315 58.100 -0.098 0.000 1.182 701 Y CB -0.150 38.302 38.460 -0.012 0.000 0.983 701 Y HN 0.247 nan 8.280 nan 0.000 0.524 702 I N 0.310 120.742 120.570 -0.230 0.000 2.163 702 I HA -0.288 3.881 4.170 -0.000 0.000 0.240 702 I C 2.189 178.138 176.117 -0.280 0.000 1.081 702 I CA 1.535 62.639 61.300 -0.328 0.000 1.353 702 I CB -1.437 36.428 38.000 -0.224 0.000 1.054 702 I HN 0.240 nan 8.210 nan 0.000 0.407 703 D N 0.359 120.671 120.400 -0.146 0.000 2.190 703 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 703 D C 2.342 178.646 176.300 0.006 0.000 0.992 703 D CA 1.519 55.491 54.000 -0.048 0.000 0.854 703 D CB 0.216 41.058 40.800 0.069 0.000 0.936 703 D HN 0.246 nan 8.370 nan 0.000 0.462 704 S N -0.013 115.577 115.700 -0.184 0.000 2.348 704 S HA -0.101 4.369 4.470 -0.000 0.000 0.221 704 S C 2.236 176.683 174.600 -0.255 0.000 1.033 704 S CA 0.656 58.623 58.200 -0.388 0.000 1.010 704 S CB -0.222 62.352 63.200 -1.043 0.000 0.891 704 S HN 0.205 nan 8.310 nan 0.000 0.442 705 L N 1.624 122.577 121.223 -0.451 0.000 2.131 705 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 705 L C 2.506 179.224 176.870 -0.254 0.000 1.092 705 L CA 1.482 56.095 54.840 -0.379 0.000 0.759 705 L CB -0.761 40.999 42.059 -0.498 0.000 0.903 705 L HN 0.522 nan 8.230 nan 0.000 0.435 706 N N -0.445 118.098 118.700 -0.262 0.000 2.120 706 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 706 N C 1.908 177.246 175.510 -0.286 0.000 1.024 706 N CA 1.362 54.207 53.050 -0.342 0.000 0.852 706 N CB 0.153 38.430 38.487 -0.351 0.000 1.003 706 N HN 0.210 nan 8.380 nan 0.000 0.424 707 S N 0.943 116.599 115.700 -0.073 0.000 2.356 707 S HA -0.096 4.373 4.470 -0.000 0.000 0.223 707 S C 1.507 176.135 174.600 0.046 0.000 1.032 707 S CA 1.001 59.221 58.200 0.033 0.000 1.005 707 S CB -0.506 62.778 63.200 0.140 0.000 0.867 707 S HN 0.446 nan 8.310 nan 0.000 0.449 708 N N 1.327 120.043 118.700 0.028 0.000 2.192 708 N HA -0.078 4.662 4.740 -0.000 0.000 0.188 708 N C 1.618 177.144 175.510 0.027 0.000 1.013 708 N CA 0.956 54.023 53.050 0.028 0.000 0.863 708 N CB -0.666 37.814 38.487 -0.012 0.000 0.990 708 N HN 0.271 nan 8.380 nan 0.000 0.430 709 V N -0.012 119.887 119.914 -0.025 0.000 2.407 709 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 709 V C 1.631 177.849 176.094 0.207 0.000 1.041 709 V CA 1.054 63.367 62.300 0.022 0.000 1.040 709 V CB -0.594 31.176 31.823 -0.088 0.000 0.671 709 V HN 0.197 nan 8.190 nan 0.000 0.455 710 Y N 0.512 120.841 120.300 0.048 0.000 2.516 710 Y HA 0.073 4.622 4.550 -0.000 0.000 0.291 710 Y C 2.242 178.175 175.900 0.054 0.000 1.131 710 Y CA 0.169 58.306 58.100 0.062 0.000 1.281 710 Y CB -0.614 37.886 38.460 0.067 0.000 1.013 710 Y HN 0.349 nan 8.280 nan 0.000 0.554 711 N N 0.013 118.833 118.700 0.200 0.000 2.373 711 N HA 0.115 4.854 4.740 -0.000 0.000 0.181 711 N C 0.678 176.252 175.510 0.107 0.000 1.082 711 N CA 0.388 53.514 53.050 0.127 0.000 0.885 711 N CB 0.034 38.579 38.487 0.096 0.000 0.977 711 N HN 0.072 nan 8.380 nan 0.000 0.462 712 A N 0.674 123.564 122.820 0.117 0.000 2.520 712 A HA 0.173 4.493 4.320 -0.000 0.000 0.235 712 A C 0.720 178.363 177.584 0.099 0.000 1.065 712 A CA 0.055 52.152 52.037 0.099 0.000 0.764 712 A CB 0.187 19.247 19.000 0.100 0.000 1.002 712 A HN 0.142 nan 8.150 nan 0.000 0.502 713 S N 0.051 115.802 115.700 0.084 0.000 2.562 713 S HA 0.473 4.943 4.470 -0.000 0.000 0.275 713 S C 0.558 175.217 174.600 0.098 0.000 1.281 713 S CA -0.040 58.206 58.200 0.076 0.000 1.045 713 S CB 0.051 63.288 63.200 0.062 0.000 0.962 713 S HN 1.001 nan 8.310 nan 0.000 0.503 714 I N 1.557 122.180 120.570 0.088 0.000 3.817 714 I HA 0.331 4.501 4.170 -0.000 0.000 0.325 714 I C 0.270 176.432 176.117 0.076 0.000 1.550 714 I CA -0.683 60.692 61.300 0.125 0.000 1.100 714 I CB 0.145 38.237 38.000 0.153 0.000 1.216 714 I HN 0.515 nan 8.210 nan 0.000 0.481 715 T N -1.380 113.207 114.554 0.056 0.000 2.817 715 T HA 0.434 4.784 4.350 -0.000 0.000 0.293 715 T C -0.161 174.580 174.700 0.068 0.000 0.964 715 T CA -0.308 61.817 62.100 0.042 0.000 1.085 715 T CB 1.610 70.494 68.868 0.027 0.000 0.921 715 T HN 0.281 nan 8.240 nan 0.000 0.502 716 E N 2.755 122.998 120.200 0.071 0.000 2.105 716 E HA 0.157 4.507 4.350 -0.000 0.000 0.285 716 E C 0.844 177.478 176.600 0.058 0.000 1.055 716 E CA -0.600 55.848 56.400 0.081 0.000 0.843 716 E CB 0.468 30.223 29.700 0.091 0.000 1.067 716 E HN 0.721 nan 8.360 nan 0.000 0.398 717 N N 1.914 120.647 118.700 0.055 0.000 2.434 717 N HA -0.074 4.666 4.740 -0.000 0.000 0.196 717 N C -0.646 174.885 175.510 0.034 0.000 1.183 717 N CA 0.030 53.106 53.050 0.044 0.000 0.849 717 N CB 0.146 38.660 38.487 0.046 0.000 0.992 717 N HN 0.292 nan 8.380 nan 0.000 0.460 718 S N -1.599 114.109 115.700 0.014 0.000 2.645 718 S HA 0.191 4.661 4.470 -0.000 0.000 0.268 718 S C 0.318 174.859 174.600 -0.099 0.000 1.110 718 S CA -0.736 57.446 58.200 -0.030 0.000 0.823 718 S CB -0.696 62.458 63.200 -0.077 0.000 1.091 718 S HN 0.039 nan 8.310 nan 0.000 0.466 719 F N 0.473 120.334 119.950 -0.148 0.000 2.269 719 F HA 0.171 4.698 4.527 -0.000 0.000 0.301 719 F C 1.499 177.169 175.800 -0.217 0.000 1.082 719 F CA 0.742 58.630 58.000 -0.187 0.000 1.360 719 F CB -0.824 38.013 39.000 -0.271 0.000 1.041 719 F HN 0.438 nan 8.300 nan 0.000 0.512 720 F N 1.018 120.262 119.950 -1.177 0.000 2.095 720 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 720 F C 2.458 177.705 175.800 -0.922 0.000 1.104 720 F CA 1.576 58.918 58.000 -1.096 0.000 1.232 720 F CB -0.873 37.515 39.000 -1.021 0.000 0.987 720 F HN 0.004 nan 8.300 nan 0.000 0.475 721 M N -0.951 118.487 119.600 -0.271 0.000 2.229 721 M HA -0.100 4.379 4.480 -0.000 0.000 0.264 721 M C 2.046 178.394 176.300 0.081 0.000 1.063 721 M CA 1.393 56.683 55.300 -0.016 0.000 1.114 721 M CB -2.082 30.579 32.600 0.101 0.000 1.387 721 M HN 0.067 nan 8.290 nan 0.000 0.420 722 T N 0.874 115.457 114.554 0.050 0.000 2.777 722 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 722 T C 1.591 176.386 174.700 0.158 0.000 1.040 722 T CA 1.120 63.290 62.100 0.116 0.000 1.141 722 T CB -0.425 68.507 68.868 0.106 0.000 0.868 722 T HN 0.313 nan 8.240 nan 0.000 0.444 723 F N 1.264 121.205 119.950 -0.015 0.000 2.051 723 F HA -0.125 4.402 4.527 -0.000 0.000 0.296 723 F C 1.795 177.699 175.800 0.173 0.000 1.122 723 F CA 1.334 59.361 58.000 0.045 0.000 1.201 723 F CB -0.358 38.615 39.000 -0.045 0.000 0.978 723 F HN 0.029 nan 8.300 nan 0.000 0.472 724 F N 1.030 121.257 119.950 0.462 0.000 2.032 724 F HA -0.289 4.238 4.527 -0.000 0.000 0.297 724 F C 2.771 178.695 175.800 0.208 0.000 1.125 724 F CA 2.007 60.197 58.000 0.317 0.000 1.202 724 F CB -1.647 37.472 39.000 0.198 0.000 0.958 724 F HN -0.001 nan 8.300 nan 0.000 0.491 725 R N 0.383 121.110 120.500 0.379 0.000 2.083 725 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 725 R C 2.299 178.700 176.300 0.169 0.000 1.137 725 R CA 1.965 58.211 56.100 0.243 0.000 0.951 725 R CB -0.533 29.905 30.300 0.230 0.000 0.851 725 R HN 0.270 nan 8.270 nan 0.000 0.434 726 S N -0.134 115.640 115.700 0.123 0.000 2.368 726 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 726 S C 1.546 176.154 174.600 0.013 0.000 1.030 726 S CA 1.353 59.578 58.200 0.042 0.000 0.999 726 S CB -0.464 62.720 63.200 -0.026 0.000 0.844 726 S HN 0.477 nan 8.310 nan 0.000 0.459 727 Y N 1.390 121.601 120.300 -0.148 0.000 2.200 727 Y HA -0.037 4.513 4.550 -0.000 0.000 0.290 727 Y C 1.883 177.774 175.900 -0.015 0.000 1.137 727 Y CA 1.343 59.360 58.100 -0.139 0.000 1.163 727 Y CB -0.070 38.299 38.460 -0.152 0.000 0.988 727 Y HN 0.191 nan 8.280 nan 0.000 0.518 728 I N -0.837 119.838 120.570 0.176 0.000 2.429 728 I HA -0.091 4.079 4.170 -0.000 0.000 0.247 728 I C 1.384 177.523 176.117 0.037 0.000 1.099 728 I CA 0.125 61.481 61.300 0.093 0.000 1.422 728 I CB 0.065 38.141 38.000 0.127 0.000 1.112 728 I HN 0.067 nan 8.210 nan 0.000 0.430 729 I N 0.000 120.610 120.570 0.067 0.000 2.984 729 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 729 I CA 0.000 61.358 61.300 0.096 0.000 1.566 729 I CB 0.000 38.056 38.000 0.094 0.000 1.214 729 I HN 0.000 nan 8.210 nan 0.000 0.494