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 3ad8_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKPQRLSAAQ TAGARINRDE ALTLTVDGQQ LSAFRGDTVA SAMLANGLRS DATA SEQUENCE CGNSMYLDRP RGIFSAGVEE PNALITVGAR HQADINESML PATTVSVTDG DATA SEQUENCE LNATLLSGLG VLDPSEDPAY YDHVHVHTDV LVVGAGPAGL AAAREASRSG DATA SEQUENCE ARVMLLDERP EAGGTLREAS GEQIDGIDAA QWIDAVTEEL AAAEETTHLQ DATA SEQUENCE RTTVFGSYDA NYILAAQRRT VHLDGPSGQG VSRERIWHIR AKQVVLATAA DATA SEQUENCE HERPIVFENN DRPGIMLAGS VRSYLNRFGV RAGSKIAVAT TNDSVYPLVS DATA SEQUENCE ELAASGGVVA VIDARQNISA AAAQAVTDGV TVLTGSVVAN TEADASGELS DATA SEQUENCE AVLVATLDEQ RNLGEAQRFE ADVLAVSGGF NPVVHLHSQR QGKLNWDTSI DATA SEQUENCE HAFVPADAVA NQHLAGALTG LLDTASALST GAATGAAAAS AAGFEKIAEV DATA SEQUENCE PQALAVPAGE TRPVWLVPSL SGDDAVHYKF HFVDLQRDQT VADVLRATGA DATA SEQUENCE GMQSVEHIKR YTSISTANDQ GKTSGVAAIG VIAAVLGIEN PAQIGTTTFR DATA SEQUENCE APYTPVSFAA LAGRTRGELL DPARLTAMHP WHLAHGAKFE DVGQWKRPWY DATA SEQUENCE YPQDGESMDE AVYRECKAVR DSVGMLDAST LGKIEIRGKD AAEFLNRMYT DATA SEQUENCE NGYTKLKVGM GRYGVMCKAD GMIFDDGVTL RLAEDRFLMH TTTGGAADVL DATA SEQUENCE DWLEEWLQTE WPELDVTCTS VTEQLATVAV VGPRSRDVIA KLASSLDVSN DATA SEQUENCE DAFKFMAFQD VTLDSGIEAR ISRISFSGEL AFEIAIPAWH GLQVWEDVYA DATA SEQUENCE AGQEFNITPY GTETMHVLRA EKGFIIVGQD TDGTVTPQDA GMEWVVSKLK DATA SEQUENCE DFVGKRSFSR EDNVREDRKH LVSVLPVDSS LRLAEGAALV AADAVASEGV DATA SEQUENCE TPMEGWVTHA YNSPALGRTF GLALIKNGRN RIGEVLKTPV DGQLVDVQVS DATA SEQUENCE DLVLFDPEGS RRD 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.595 174.600 -0.008 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1 S CB 0.000 63.201 63.200 0.002 0.000 0.593 2 K N 2.015 122.409 120.400 -0.011 0.000 2.270 2 K HA 0.365 4.683 4.320 -0.003 0.000 0.276 2 K C -2.380 174.207 176.600 -0.020 0.000 1.023 2 K CA -1.634 54.641 56.287 -0.019 0.000 0.955 2 K CB 0.146 32.635 32.500 -0.019 0.000 0.975 2 K HN 0.289 nan 8.250 nan 0.000 0.471 3 P HA -0.062 nan 4.420 nan 0.000 0.270 3 P C -1.216 176.068 177.300 -0.026 0.000 1.223 3 P CA 0.046 63.122 63.100 -0.039 0.000 0.785 3 P CB 0.595 32.247 31.700 -0.080 0.000 0.923 4 Q N -0.893 118.902 119.800 -0.008 0.000 2.534 4 Q HA 0.588 4.927 4.340 -0.003 0.000 0.290 4 Q C -1.030 174.991 176.000 0.036 0.000 0.991 4 Q CA -1.314 54.495 55.803 0.010 0.000 0.783 4 Q CB 1.357 30.105 28.738 0.017 0.000 1.470 4 Q HN 0.125 nan 8.270 nan 0.000 0.406 5 R N 1.009 121.543 120.500 0.058 0.000 2.390 5 R HA 0.460 4.798 4.340 -0.003 0.000 0.291 5 R C -0.725 175.625 176.300 0.083 0.000 1.070 5 R CA -0.108 56.051 56.100 0.097 0.000 1.014 5 R CB 0.507 30.893 30.300 0.144 0.000 1.007 5 R HN 0.685 nan 8.270 nan 0.000 0.466 6 L N 2.260 123.532 121.223 0.083 0.000 2.469 6 L HA 0.332 4.670 4.340 -0.003 0.000 0.253 6 L C 0.478 177.384 176.870 0.060 0.000 1.143 6 L CA -0.679 54.199 54.840 0.062 0.000 0.804 6 L CB 1.163 43.255 42.059 0.055 0.000 1.214 6 L HN 0.879 nan 8.230 nan 0.000 0.476 7 S N 0.103 115.829 115.700 0.043 0.000 2.584 7 S HA 0.130 4.598 4.470 -0.003 0.000 0.270 7 S C 1.032 175.644 174.600 0.019 0.000 1.346 7 S CA -0.112 58.108 58.200 0.034 0.000 1.018 7 S CB 1.310 64.525 63.200 0.026 0.000 0.899 7 S HN 0.694 nan 8.310 nan 0.000 0.542 8 A N 2.758 125.581 122.820 0.004 0.000 1.917 8 A HA 0.018 4.337 4.320 -0.003 0.000 0.219 8 A C 2.453 180.025 177.584 -0.020 0.000 1.182 8 A CA 2.141 54.161 52.037 -0.028 0.000 0.633 8 A CB -1.742 17.230 19.000 -0.047 0.000 0.819 8 A HN 1.450 nan 8.150 nan 0.000 0.448 9 A N -0.666 122.149 122.820 -0.007 0.000 1.902 9 A HA -0.225 4.093 4.320 -0.003 0.000 0.217 9 A C 2.051 179.635 177.584 -0.001 0.000 1.181 9 A CA 1.663 53.697 52.037 -0.005 0.000 0.623 9 A CB -0.575 18.425 19.000 0.000 0.000 0.818 9 A HN 0.683 nan 8.150 nan 0.000 0.443 10 Q N -0.626 119.178 119.800 0.006 0.000 2.436 10 Q HA -0.032 4.306 4.340 -0.003 0.000 0.209 10 Q C 0.851 176.857 176.000 0.010 0.000 0.965 10 Q CA 1.253 57.062 55.803 0.010 0.000 0.910 10 Q CB -0.114 28.635 28.738 0.018 0.000 0.980 10 Q HN 0.790 nan 8.270 nan 0.000 0.491 11 T N -3.235 111.321 114.554 0.004 0.000 3.331 11 T HA 0.593 4.941 4.350 -0.003 0.000 0.282 11 T C 0.218 174.908 174.700 -0.016 0.000 1.010 11 T CA -0.350 61.752 62.100 0.003 0.000 0.928 11 T CB 0.471 69.350 68.868 0.018 0.000 1.154 11 T HN 0.142 nan 8.240 nan 0.000 0.516 12 A N 0.294 123.102 122.820 -0.019 0.000 2.483 12 A HA 0.594 4.912 4.320 -0.003 0.000 0.238 12 A C 1.758 179.325 177.584 -0.028 0.000 1.070 12 A CA 0.387 52.407 52.037 -0.028 0.000 0.770 12 A CB -0.896 18.090 19.000 -0.023 0.000 1.008 12 A HN 1.649 nan 8.150 nan 0.000 0.497 13 G N 0.195 108.974 108.800 -0.035 0.000 2.189 13 G HA2 0.083 4.041 3.960 -0.003 0.000 0.267 13 G HA3 0.083 4.041 3.960 -0.003 0.000 0.267 13 G C 0.760 175.631 174.900 -0.049 0.000 0.975 13 G CA 0.758 45.836 45.100 -0.036 0.000 0.644 13 G HN 2.299 nan 8.290 nan 0.000 0.537 14 A N 0.168 122.960 122.820 -0.046 0.000 2.555 14 A HA 0.474 4.792 4.320 -0.003 0.000 0.233 14 A C 1.096 178.633 177.584 -0.078 0.000 1.060 14 A CA 0.474 52.474 52.037 -0.062 0.000 0.759 14 A CB 0.172 19.163 19.000 -0.015 0.000 0.995 14 A HN 0.408 nan 8.150 nan 0.000 0.506 15 R N 1.587 122.007 120.500 -0.133 0.000 4.390 15 R HA 0.249 4.587 4.340 -0.003 0.000 0.229 15 R C -0.389 175.893 176.300 -0.030 0.000 1.674 15 R CA 0.251 56.288 56.100 -0.106 0.000 1.526 15 R CB -1.160 29.035 30.300 -0.174 0.000 1.418 15 R HN 0.727 nan 8.270 nan 0.000 0.790 16 I N -2.560 118.016 120.570 0.011 0.000 2.934 16 I HA 0.450 4.618 4.170 -0.003 0.000 0.306 16 I C -0.484 175.631 176.117 -0.004 0.000 1.110 16 I CA -1.251 60.097 61.300 0.080 0.000 1.019 16 I CB 2.360 40.456 38.000 0.159 0.000 1.227 16 I HN -0.194 nan 8.210 nan 0.000 0.434 17 N N 3.134 121.854 118.700 0.033 0.000 2.546 17 N HA 0.336 5.074 4.740 -0.003 0.000 0.238 17 N C 0.288 175.717 175.510 -0.134 0.000 0.984 17 N CA -0.415 52.618 53.050 -0.028 0.000 0.935 17 N CB 1.081 39.593 38.487 0.042 0.000 1.122 17 N HN 0.645 nan 8.380 nan 0.000 0.510 18 R N 1.180 121.443 120.500 -0.396 0.000 2.328 18 R HA 0.003 4.341 4.340 -0.003 0.000 0.207 18 R C -0.092 176.098 176.300 -0.183 0.000 1.056 18 R CA 0.693 56.341 56.100 -0.754 0.000 1.016 18 R CB 0.358 30.222 30.300 -0.727 0.000 0.872 18 R HN 0.498 nan 8.270 nan 0.000 0.471 19 D N 0.137 120.511 120.400 -0.043 0.000 2.339 19 D HA -0.039 4.600 4.640 -0.003 0.000 0.217 19 D C -0.056 176.308 176.300 0.106 0.000 1.050 19 D CA 0.586 54.609 54.000 0.037 0.000 0.856 19 D CB 0.420 41.227 40.800 0.012 0.000 0.922 19 D HN 0.225 nan 8.370 nan 0.000 0.518 20 E N 0.946 121.251 120.200 0.175 0.000 2.873 20 E HA 0.445 4.793 4.350 -0.003 0.000 0.232 20 E C -0.975 175.803 176.600 0.295 0.000 1.123 20 E CA -0.441 56.073 56.400 0.190 0.000 0.809 20 E CB 0.793 30.572 29.700 0.130 0.000 1.366 20 E HN -0.039 nan 8.360 nan 0.000 0.400 21 A N 3.870 126.843 122.820 0.254 0.000 2.425 21 A HA 0.525 4.844 4.320 -0.003 0.000 0.249 21 A C -0.488 177.097 177.584 0.003 0.000 1.084 21 A CA 0.087 52.176 52.037 0.087 0.000 0.781 21 A CB 0.346 19.372 19.000 0.043 0.000 1.019 21 A HN 0.640 nan 8.150 nan 0.000 0.490 22 L N 0.677 121.848 121.223 -0.087 0.000 2.409 22 L HA 0.709 5.047 4.340 -0.003 0.000 0.255 22 L C 0.222 177.040 176.870 -0.087 0.000 1.027 22 L CA -0.726 54.085 54.840 -0.048 0.000 0.834 22 L CB 2.777 44.828 42.059 -0.013 0.000 1.426 22 L HN 0.902 nan 8.230 nan 0.000 0.411 23 T N -0.291 114.230 114.554 -0.056 0.000 2.916 23 T HA 0.890 5.238 4.350 -0.003 0.000 0.292 23 T C -0.807 173.867 174.700 -0.043 0.000 1.064 23 T CA -0.687 61.375 62.100 -0.063 0.000 1.011 23 T CB 2.159 70.996 68.868 -0.052 0.000 1.152 23 T HN 0.694 nan 8.240 nan 0.000 0.510 24 L N -1.751 119.444 121.223 -0.046 0.000 2.765 24 L HA 0.934 5.273 4.340 -0.003 0.000 0.263 24 L C -1.298 175.550 176.870 -0.037 0.000 1.068 24 L CA -1.089 53.731 54.840 -0.034 0.000 0.903 24 L CB 1.736 43.775 42.059 -0.032 0.000 1.512 24 L HN 0.697 nan 8.230 nan 0.000 0.404 25 T N 0.698 115.233 114.554 -0.031 0.000 2.848 25 T HA 0.712 5.061 4.350 -0.003 0.000 0.285 25 T C -0.921 173.760 174.700 -0.032 0.000 0.995 25 T CA -0.490 61.592 62.100 -0.031 0.000 0.970 25 T CB 1.993 70.846 68.868 -0.026 0.000 0.976 25 T HN 0.487 nan 8.240 nan 0.000 0.441 26 V N 2.812 122.705 119.914 -0.036 0.000 2.531 26 V HA 0.325 4.443 4.120 -0.003 0.000 0.301 26 V C -0.425 175.648 176.094 -0.035 0.000 1.034 26 V CA -0.927 61.351 62.300 -0.036 0.000 0.865 26 V CB 1.539 33.336 31.823 -0.043 0.000 0.995 26 V HN 0.984 nan 8.190 nan 0.000 0.424 27 D N 4.364 124.745 120.400 -0.033 0.000 2.704 27 D HA -0.178 4.460 4.640 -0.003 0.000 0.232 27 D C 1.360 177.644 176.300 -0.028 0.000 1.183 27 D CA 1.914 55.895 54.000 -0.030 0.000 0.647 27 D CB -0.967 39.813 40.800 -0.032 0.000 1.013 27 D HN 1.421 nan 8.370 nan 0.000 0.415 28 G N -0.293 108.491 108.800 -0.026 0.000 2.168 28 G HA2 -0.381 3.578 3.960 -0.003 0.000 0.263 28 G HA3 -0.381 3.578 3.960 -0.003 0.000 0.263 28 G C 0.197 175.082 174.900 -0.025 0.000 0.977 28 G CA 0.688 45.774 45.100 -0.023 0.000 0.659 28 G HN 0.691 nan 8.290 nan 0.000 0.533 29 Q N 0.067 119.850 119.800 -0.028 0.000 2.316 29 Q HA 0.553 4.891 4.340 -0.003 0.000 0.264 29 Q C 0.032 176.012 176.000 -0.033 0.000 0.987 29 Q CA -0.699 55.086 55.803 -0.030 0.000 0.852 29 Q CB 0.852 29.571 28.738 -0.032 0.000 1.287 29 Q HN 0.420 nan 8.270 nan 0.000 0.448 30 Q N 3.574 123.354 119.800 -0.033 0.000 2.286 30 Q HA 0.314 4.652 4.340 -0.003 0.000 0.257 30 Q C -1.426 174.546 176.000 -0.046 0.000 0.941 30 Q CA -0.396 55.385 55.803 -0.037 0.000 0.912 30 Q CB 0.641 29.359 28.738 -0.033 0.000 1.192 30 Q HN 0.521 nan 8.270 nan 0.000 0.410 31 L N 1.995 123.185 121.223 -0.055 0.000 2.333 31 L HA 0.464 4.803 4.340 -0.003 0.000 0.269 31 L C -0.095 176.721 176.870 -0.090 0.000 1.010 31 L CA -0.231 54.568 54.840 -0.069 0.000 0.818 31 L CB 2.015 44.032 42.059 -0.070 0.000 1.306 31 L HN 0.549 nan 8.230 nan 0.000 0.430 32 S N 0.270 115.900 115.700 -0.117 0.000 2.616 32 S HA 0.925 5.394 4.470 -0.003 0.000 0.277 32 S C -0.371 174.085 174.600 -0.241 0.000 1.234 32 S CA 0.080 58.170 58.200 -0.184 0.000 1.028 32 S CB 1.212 64.289 63.200 -0.206 0.000 0.988 32 S HN 0.832 nan 8.310 nan 0.000 0.522 33 A N 1.865 124.474 122.820 -0.352 0.000 2.557 33 A HA 0.841 5.159 4.320 -0.003 0.000 0.292 33 A C -2.079 175.176 177.584 -0.548 0.000 1.139 33 A CA -0.620 51.214 52.037 -0.340 0.000 0.665 33 A CB 0.679 19.606 19.000 -0.121 0.000 1.285 33 A HN 0.599 nan 8.150 nan 0.000 0.433 34 F N -0.405 119.580 119.950 0.058 0.000 2.588 34 F HA 0.732 5.257 4.527 -0.003 0.000 0.314 34 F C 0.382 176.230 175.800 0.080 0.000 1.069 34 F CA -0.668 57.371 58.000 0.064 0.000 0.931 34 F CB 1.702 40.745 39.000 0.072 0.000 1.260 34 F HN 0.651 nan 8.300 nan 0.000 0.465 35 R N 0.771 121.441 120.500 0.284 0.000 2.538 35 R HA 0.417 4.755 4.340 -0.003 0.000 0.282 35 R C 0.916 177.342 176.300 0.210 0.000 1.009 35 R CA 1.358 57.575 56.100 0.195 0.000 1.063 35 R CB -0.247 30.144 30.300 0.151 0.000 0.945 35 R HN 0.929 nan 8.270 nan 0.000 0.414 36 G N 2.726 111.648 108.800 0.203 0.000 2.284 36 G HA2 -0.229 3.730 3.960 -0.003 0.000 0.216 36 G HA3 -0.229 3.730 3.960 -0.003 0.000 0.216 36 G C -0.343 174.768 174.900 0.352 0.000 1.009 36 G CA 0.017 45.254 45.100 0.227 0.000 0.625 36 G HN 0.661 nan 8.290 nan 0.000 0.501 37 D N 2.382 122.972 120.400 0.317 0.000 2.449 37 D HA 0.418 5.056 4.640 -0.003 0.000 0.236 37 D C 1.352 177.732 176.300 0.133 0.000 1.149 37 D CA 1.406 55.547 54.000 0.236 0.000 0.878 37 D CB 1.067 41.944 40.800 0.128 0.000 1.198 37 D HN 0.580 nan 8.370 nan 0.000 0.446 38 T N -2.003 112.526 114.554 -0.042 0.000 2.897 38 T HA 0.269 4.617 4.350 -0.003 0.000 0.278 38 T C 1.564 176.224 174.700 -0.068 0.000 0.981 38 T CA -0.925 61.156 62.100 -0.032 0.000 0.973 38 T CB 0.862 69.694 68.868 -0.060 0.000 1.092 38 T HN 0.047 nan 8.240 nan 0.000 0.543 39 V N 1.150 121.042 119.914 -0.037 0.000 2.407 39 V HA -0.109 4.009 4.120 -0.003 0.000 0.248 39 V C 3.067 179.110 176.094 -0.085 0.000 1.055 39 V CA 2.266 64.537 62.300 -0.049 0.000 1.049 39 V CB -1.636 30.169 31.823 -0.029 0.000 0.662 39 V HN 1.064 nan 8.190 nan 0.000 0.455 40 A N 0.865 123.633 122.820 -0.086 0.000 1.877 40 A HA -0.230 4.088 4.320 -0.003 0.000 0.216 40 A C 2.585 180.032 177.584 -0.227 0.000 1.186 40 A CA 2.448 54.416 52.037 -0.115 0.000 0.620 40 A CB -0.902 18.090 19.000 -0.012 0.000 0.822 40 A HN 0.686 nan 8.150 nan 0.000 0.443 41 S N 0.156 115.686 115.700 -0.283 0.000 2.382 41 S HA 0.025 4.493 4.470 -0.003 0.000 0.228 41 S C 2.060 176.529 174.600 -0.218 0.000 1.027 41 S CA 1.426 59.398 58.200 -0.381 0.000 0.991 41 S CB -0.642 62.009 63.200 -0.914 0.000 0.823 41 S HN 0.915 nan 8.310 nan 0.000 0.469 42 A N 1.927 124.652 122.820 -0.158 0.000 1.898 42 A HA 0.147 4.465 4.320 -0.003 0.000 0.216 42 A C 2.349 179.867 177.584 -0.109 0.000 1.181 42 A CA 1.456 53.434 52.037 -0.100 0.000 0.620 42 A CB -0.761 18.192 19.000 -0.078 0.000 0.819 42 A HN 0.562 nan 8.150 nan 0.000 0.442 43 M N -0.516 119.009 119.600 -0.125 0.000 2.082 43 M HA -0.202 4.276 4.480 -0.003 0.000 0.258 43 M C 2.146 178.367 176.300 -0.133 0.000 1.071 43 M CA 1.817 57.045 55.300 -0.119 0.000 1.103 43 M CB -0.633 31.895 32.600 -0.121 0.000 1.307 43 M HN 0.394 nan 8.290 nan 0.000 0.409 44 L N -0.437 120.669 121.223 -0.195 0.000 2.046 44 L HA -0.163 4.176 4.340 -0.003 0.000 0.208 44 L C 2.756 179.555 176.870 -0.119 0.000 1.077 44 L CA 1.132 55.850 54.840 -0.202 0.000 0.747 44 L CB -0.964 40.874 42.059 -0.369 0.000 0.896 44 L HN 0.328 nan 8.230 nan 0.000 0.432 45 A N -0.376 122.390 122.820 -0.090 0.000 2.076 45 A HA -0.181 4.137 4.320 -0.003 0.000 0.220 45 A C 1.828 179.392 177.584 -0.034 0.000 1.160 45 A CA 1.604 53.627 52.037 -0.025 0.000 0.653 45 A CB -0.488 18.520 19.000 0.014 0.000 0.801 45 A HN 0.522 nan 8.150 nan 0.000 0.455 46 N N -1.291 117.375 118.700 -0.058 0.000 2.214 46 N HA 0.213 4.951 4.740 -0.003 0.000 0.214 46 N C 0.829 176.310 175.510 -0.048 0.000 1.132 46 N CA 0.707 53.726 53.050 -0.052 0.000 0.856 46 N CB 0.651 39.101 38.487 -0.063 0.000 1.020 46 N HN 0.578 nan 8.380 nan 0.000 0.509 47 G N 1.099 109.868 108.800 -0.052 0.000 2.141 47 G HA2 -0.223 3.736 3.960 -0.003 0.000 0.231 47 G HA3 -0.223 3.736 3.960 -0.003 0.000 0.231 47 G C -0.172 174.696 174.900 -0.054 0.000 0.984 47 G CA -0.286 44.786 45.100 -0.046 0.000 0.660 47 G HN 0.220 nan 8.290 nan 0.000 0.525 48 L N 0.312 121.493 121.223 -0.070 0.000 2.294 48 L HA 0.536 4.875 4.340 -0.003 0.000 0.283 48 L C 1.526 178.343 176.870 -0.089 0.000 1.015 48 L CA -0.626 54.172 54.840 -0.070 0.000 0.831 48 L CB 1.394 43.412 42.059 -0.069 0.000 1.217 48 L HN 0.392 nan 8.230 nan 0.000 0.420 49 R N 0.419 120.874 120.500 -0.076 0.000 2.307 49 R HA 0.254 4.592 4.340 -0.003 0.000 0.200 49 R C 0.323 176.586 176.300 -0.063 0.000 0.893 49 R CA -0.198 55.852 56.100 -0.083 0.000 1.042 49 R CB 0.333 30.591 30.300 -0.070 0.000 1.059 49 R HN 0.429 nan 8.270 nan 0.000 0.530 50 S N 0.863 116.531 115.700 -0.052 0.000 2.601 50 S HA 0.355 4.823 4.470 -0.003 0.000 0.271 50 S C 0.461 175.031 174.600 -0.049 0.000 1.305 50 S CA -0.568 57.605 58.200 -0.045 0.000 1.022 50 S CB 1.267 64.442 63.200 -0.041 0.000 0.940 50 S HN 0.518 nan 8.310 nan 0.000 0.525 51 C N 0.580 119.852 119.300 -0.047 0.000 3.459 51 C HA 0.961 5.419 4.460 -0.003 0.000 0.358 51 C C 0.966 175.924 174.990 -0.053 0.000 2.992 51 C CA -0.842 58.147 59.018 -0.049 0.000 1.568 51 C CB -0.301 27.412 27.740 -0.044 0.000 3.388 51 C HN 0.815 nan 8.230 nan 0.000 0.515 52 G N 1.904 110.669 108.800 -0.057 0.000 2.491 52 G HA2 0.388 4.347 3.960 -0.003 0.000 0.238 52 G HA3 0.388 4.347 3.960 -0.003 0.000 0.238 52 G C -0.249 174.607 174.900 -0.073 0.000 1.277 52 G CA 0.025 45.087 45.100 -0.063 0.000 0.851 52 G HN 0.797 nan 8.290 nan 0.000 0.573 53 N N -0.119 118.539 118.700 -0.070 0.000 2.307 53 N HA 0.080 4.818 4.740 -0.003 0.000 0.230 53 N C 1.106 176.555 175.510 -0.101 0.000 1.297 53 N CA 0.208 53.212 53.050 -0.077 0.000 0.884 53 N CB 0.553 39.005 38.487 -0.058 0.000 1.115 53 N HN 0.681 nan 8.380 nan 0.000 0.436 54 S N -0.131 115.501 115.700 -0.113 0.000 2.573 54 S HA -0.026 4.442 4.470 -0.003 0.000 0.277 54 S C 1.311 175.825 174.600 -0.143 0.000 1.346 54 S CA -0.466 57.652 58.200 -0.137 0.000 1.034 54 S CB 0.424 63.538 63.200 -0.143 0.000 0.879 54 S HN 0.667 nan 8.310 nan 0.000 0.528 55 M N 1.626 121.088 119.600 -0.230 0.000 2.200 55 M HA 0.018 4.497 4.480 -0.003 0.000 0.265 55 M C 0.568 176.589 176.300 -0.465 0.000 1.066 55 M CA 1.523 56.577 55.300 -0.410 0.000 1.127 55 M CB -0.121 32.098 32.600 -0.635 0.000 1.379 55 M HN 0.856 nan 8.290 nan 0.000 0.420 56 Y N -0.798 119.510 120.300 0.012 0.000 2.607 56 Y HA 0.263 4.811 4.550 -0.003 0.000 0.276 56 Y C 1.653 177.579 175.900 0.043 0.000 1.117 56 Y CA 0.355 58.470 58.100 0.026 0.000 1.273 56 Y CB -0.020 38.459 38.460 0.033 0.000 1.282 56 Y HN 0.065 nan 8.280 nan 0.000 0.514 57 L N -0.243 121.103 121.223 0.206 0.000 2.567 57 L HA 0.060 4.398 4.340 -0.003 0.000 0.225 57 L C 0.280 177.213 176.870 0.106 0.000 1.119 57 L CA 0.723 55.670 54.840 0.178 0.000 0.871 57 L CB -0.086 42.128 42.059 0.258 0.000 1.036 57 L HN 0.146 nan 8.230 nan 0.000 0.459 58 D N 0.922 121.351 120.400 0.048 0.000 2.870 58 D HA -0.199 4.439 4.640 -0.003 0.000 0.228 58 D C 0.454 176.754 176.300 0.001 0.000 1.147 58 D CA 0.538 54.543 54.000 0.008 0.000 0.757 58 D CB -0.340 40.471 40.800 0.018 0.000 1.091 58 D HN 0.247 nan 8.370 nan 0.000 0.429 59 R N 0.109 120.605 120.500 -0.006 0.000 2.582 59 R HA 0.447 4.785 4.340 -0.003 0.000 0.271 59 R C -2.200 174.058 176.300 -0.070 0.000 1.078 59 R CA -1.394 54.687 56.100 -0.033 0.000 1.127 59 R CB 0.356 30.631 30.300 -0.043 0.000 1.038 59 R HN 0.087 nan 8.270 nan 0.000 0.500 60 P HA 0.031 nan 4.420 nan 0.000 0.267 60 P C -0.787 176.458 177.300 -0.092 0.000 1.205 60 P CA 0.476 63.536 63.100 -0.067 0.000 0.765 60 P CB 0.693 32.362 31.700 -0.052 0.000 0.828 61 R N 1.795 122.244 120.500 -0.085 0.000 2.771 61 R HA 0.810 5.148 4.340 -0.003 0.000 0.274 61 R C 0.058 176.326 176.300 -0.053 0.000 0.987 61 R CA -0.758 55.286 56.100 -0.094 0.000 0.908 61 R CB 2.440 32.664 30.300 -0.126 0.000 1.213 61 R HN 0.620 nan 8.270 nan 0.000 0.468 62 G N 0.445 109.234 108.800 -0.019 0.000 2.818 62 G HA2 0.528 4.487 3.960 -0.003 0.000 0.286 62 G HA3 0.528 4.487 3.960 -0.003 0.000 0.286 62 G C -0.573 174.355 174.900 0.047 0.000 1.364 62 G CA -0.853 44.248 45.100 0.002 0.000 0.938 62 G HN 0.386 nan 8.290 nan 0.000 0.490 63 I N 0.389 120.974 120.570 0.026 0.000 2.683 63 I HA 0.040 4.209 4.170 -0.003 0.000 0.286 63 I C 0.595 176.805 176.117 0.154 0.000 1.175 63 I CA 0.296 61.633 61.300 0.061 0.000 1.429 63 I CB 0.614 38.597 38.000 -0.027 0.000 1.371 63 I HN 0.482 nan 8.210 nan 0.000 0.569 64 F N 4.992 124.957 119.950 0.025 0.000 2.680 64 F HA 0.149 4.675 4.527 -0.003 0.000 0.290 64 F C 1.118 176.969 175.800 0.085 0.000 1.114 64 F CA 0.265 58.287 58.000 0.036 0.000 1.333 64 F CB 0.423 39.425 39.000 0.004 0.000 1.091 64 F HN 0.545 nan 8.300 nan 0.000 0.606 65 S N -0.712 115.086 115.700 0.163 0.000 2.776 65 S HA 0.746 5.214 4.470 -0.003 0.000 0.292 65 S C -0.388 174.305 174.600 0.155 0.000 1.187 65 S CA -0.169 58.086 58.200 0.092 0.000 0.834 65 S CB 1.198 64.469 63.200 0.118 0.000 1.199 65 S HN 0.255 nan 8.310 nan 0.000 0.514 66 A N -0.301 122.531 122.820 0.020 0.000 2.643 66 A HA 0.808 5.127 4.320 -0.003 0.000 0.295 66 A C 0.532 178.132 177.584 0.026 0.000 1.065 66 A CA 0.134 52.130 52.037 -0.068 0.000 0.986 66 A CB -0.562 18.159 19.000 -0.466 0.000 1.212 66 A HN 1.623 nan 8.150 nan 0.000 0.516 67 G N -1.734 107.098 108.800 0.053 0.000 2.731 67 G HA2 0.393 4.352 3.960 -0.003 0.000 0.309 67 G HA3 0.393 4.352 3.960 -0.003 0.000 0.309 67 G C 0.301 175.224 174.900 0.039 0.000 1.273 67 G CA 0.343 45.480 45.100 0.061 0.000 0.798 67 G HN 0.206 nan 8.290 nan 0.000 0.509 68 V N 1.410 121.345 119.914 0.035 0.000 3.078 68 V HA -0.029 4.089 4.120 -0.003 0.000 0.265 68 V C 2.456 178.502 176.094 -0.081 0.000 1.122 68 V CA 2.403 64.701 62.300 -0.003 0.000 1.141 68 V CB -0.290 31.560 31.823 0.045 0.000 0.735 68 V HN 0.751 nan 8.190 nan 0.000 0.498 69 E N 0.382 120.495 120.200 -0.146 0.000 2.502 69 E HA -0.115 4.233 4.350 -0.003 0.000 0.194 69 E C 0.854 177.442 176.600 -0.021 0.000 1.062 69 E CA -0.115 56.177 56.400 -0.180 0.000 0.867 69 E CB -0.219 29.252 29.700 -0.381 0.000 0.888 69 E HN 0.591 nan 8.360 nan 0.000 0.510 70 E N 3.223 123.435 120.200 0.021 0.000 2.868 70 E HA -0.084 4.265 4.350 -0.003 0.000 0.246 70 E C -1.663 174.956 176.600 0.031 0.000 0.962 70 E CA -0.701 55.743 56.400 0.073 0.000 0.955 70 E CB 0.967 30.707 29.700 0.067 0.000 0.903 70 E HN 0.042 nan 8.360 nan 0.000 0.524 71 P HA 0.105 nan 4.420 nan 0.000 0.244 71 P C 0.050 177.301 177.300 -0.082 0.000 1.191 71 P CA 0.335 63.396 63.100 -0.066 0.000 0.829 71 P CB 0.647 32.244 31.700 -0.172 0.000 1.008 72 N N 0.494 119.160 118.700 -0.057 0.000 2.508 72 N HA 0.090 4.829 4.740 -0.003 0.000 0.186 72 N C 0.924 176.407 175.510 -0.045 0.000 1.034 72 N CA 0.480 53.485 53.050 -0.075 0.000 0.885 72 N CB -0.469 37.975 38.487 -0.072 0.000 1.135 72 N HN -0.022 nan 8.380 nan 0.000 0.435 73 A N 2.186 125.000 122.820 -0.011 0.000 3.015 73 A HA 0.425 4.743 4.320 -0.003 0.000 0.293 73 A C -0.043 177.529 177.584 -0.020 0.000 1.572 73 A CA -0.250 51.776 52.037 -0.017 0.000 1.274 73 A CB -0.905 18.095 19.000 -0.000 0.000 1.156 73 A HN 0.141 nan 8.150 nan 0.000 0.562 74 L N 2.430 123.632 121.223 -0.035 0.000 2.357 74 L HA 0.682 5.020 4.340 -0.003 0.000 0.273 74 L C 0.149 176.998 176.870 -0.036 0.000 1.080 74 L CA -0.579 54.241 54.840 -0.034 0.000 0.803 74 L CB 1.356 43.388 42.059 -0.044 0.000 1.174 74 L HN 0.678 nan 8.230 nan 0.000 0.443 75 I N -2.112 118.440 120.570 -0.031 0.000 2.969 75 I HA 0.495 4.663 4.170 -0.003 0.000 0.307 75 I C -0.622 175.476 176.117 -0.031 0.000 1.149 75 I CA -0.591 60.690 61.300 -0.031 0.000 1.008 75 I CB 2.367 40.351 38.000 -0.026 0.000 1.232 75 I HN 0.299 nan 8.210 nan 0.000 0.435 76 T N 3.611 118.146 114.554 -0.033 0.000 2.743 76 T HA 0.419 4.767 4.350 -0.003 0.000 0.293 76 T C -0.093 174.591 174.700 -0.027 0.000 0.945 76 T CA -0.311 61.770 62.100 -0.031 0.000 1.030 76 T CB 1.243 70.090 68.868 -0.034 0.000 0.912 76 T HN 0.375 nan 8.240 nan 0.000 0.483 77 V N 3.787 123.687 119.914 -0.023 0.000 2.432 77 V HA 0.500 4.618 4.120 -0.003 0.000 0.275 77 V C 1.149 177.226 176.094 -0.028 0.000 1.043 77 V CA -0.752 61.535 62.300 -0.021 0.000 0.925 77 V CB 1.214 33.029 31.823 -0.013 0.000 0.985 77 V HN 1.016 nan 8.190 nan 0.000 0.466 78 G N 3.510 112.291 108.800 -0.030 0.000 2.544 78 G HA2 0.451 4.409 3.960 -0.003 0.000 0.242 78 G HA3 0.451 4.409 3.960 -0.003 0.000 0.242 78 G C 0.446 175.315 174.900 -0.051 0.000 1.247 78 G CA 0.042 45.121 45.100 -0.035 0.000 0.840 78 G HN 1.223 nan 8.290 nan 0.000 0.578 79 A N 1.748 124.532 122.820 -0.059 0.000 2.591 79 A HA 0.090 4.408 4.320 -0.003 0.000 0.244 79 A C 1.635 179.144 177.584 -0.126 0.000 1.031 79 A CA 0.117 52.093 52.037 -0.102 0.000 0.767 79 A CB 0.205 19.159 19.000 -0.077 0.000 0.942 79 A HN 0.704 nan 8.150 nan 0.000 0.514 80 R N 1.334 121.697 120.500 -0.228 0.000 2.240 80 R HA 0.065 4.403 4.340 -0.003 0.000 0.203 80 R C 0.003 176.246 176.300 -0.095 0.000 1.011 80 R CA 1.293 57.294 56.100 -0.165 0.000 1.007 80 R CB -0.512 29.711 30.300 -0.128 0.000 0.911 80 R HN 1.056 nan 8.270 nan 0.000 0.468 81 H N -4.470 114.601 119.070 0.002 0.000 2.887 81 H HA 0.230 4.784 4.556 -0.003 0.000 0.290 81 H C 0.120 175.449 175.328 0.001 0.000 1.429 81 H CA -0.817 55.230 56.048 -0.001 0.000 1.137 81 H CB 0.168 29.926 29.762 -0.007 0.000 1.824 81 H HN -0.388 nan 8.280 nan 0.000 0.520 82 Q N -0.109 119.824 119.800 0.222 0.000 2.500 82 Q HA 0.107 4.445 4.340 -0.003 0.000 0.213 82 Q C 0.836 176.937 176.000 0.167 0.000 0.974 82 Q CA 1.098 56.979 55.803 0.131 0.000 0.918 82 Q CB 0.100 28.884 28.738 0.077 0.000 0.980 82 Q HN 0.661 nan 8.270 nan 0.000 0.505 83 A N 0.533 123.582 122.820 0.381 0.000 2.532 83 A HA 0.147 4.465 4.320 -0.003 0.000 0.273 83 A C -0.369 177.315 177.584 0.166 0.000 1.342 83 A CA -0.177 52.024 52.037 0.275 0.000 0.929 83 A CB 0.137 19.276 19.000 0.232 0.000 1.051 83 A HN 0.006 nan 8.150 nan 0.000 0.521 84 D N -0.496 119.900 120.400 -0.006 0.000 2.552 84 D HA 0.659 5.298 4.640 -0.003 0.000 0.239 84 D C -0.446 175.820 176.300 -0.056 0.000 1.139 84 D CA -0.292 53.629 54.000 -0.133 0.000 0.914 84 D CB 1.809 42.328 40.800 -0.469 0.000 1.461 84 D HN 0.272 nan 8.370 nan 0.000 0.462 85 I N -1.422 119.128 120.570 -0.034 0.000 3.206 85 I HA 0.633 4.801 4.170 -0.003 0.000 0.313 85 I C -0.424 175.674 176.117 -0.032 0.000 1.103 85 I CA -1.095 60.193 61.300 -0.021 0.000 0.985 85 I CB 1.432 39.435 38.000 0.005 0.000 1.240 85 I HN 0.036 nan 8.210 nan 0.000 0.464 86 N N 2.336 121.019 118.700 -0.028 0.000 2.492 86 N HA 0.190 4.928 4.740 -0.003 0.000 0.262 86 N C -0.908 174.586 175.510 -0.026 0.000 1.202 86 N CA 0.130 53.162 53.050 -0.030 0.000 0.926 86 N CB 0.638 39.108 38.487 -0.029 0.000 1.078 86 N HN 0.658 nan 8.380 nan 0.000 0.454 87 E N 0.472 120.657 120.200 -0.025 0.000 2.246 87 E HA 0.367 4.715 4.350 -0.003 0.000 0.266 87 E C -1.195 175.387 176.600 -0.030 0.000 0.880 87 E CA -0.474 55.912 56.400 -0.024 0.000 0.762 87 E CB 1.258 30.955 29.700 -0.005 0.000 1.180 87 E HN 0.391 nan 8.360 nan 0.000 0.416 88 S N 3.193 118.867 115.700 -0.043 0.000 2.718 88 S HA 0.451 4.919 4.470 -0.003 0.000 0.300 88 S C 0.114 174.686 174.600 -0.046 0.000 1.117 88 S CA -0.348 57.824 58.200 -0.045 0.000 1.002 88 S CB 0.697 63.865 63.200 -0.055 0.000 1.092 88 S HN 0.757 nan 8.310 nan 0.000 0.542 89 M N 0.657 120.231 119.600 -0.045 0.000 2.537 89 M HA -0.156 4.323 4.480 -0.003 0.000 0.205 89 M C -1.208 175.072 176.300 -0.034 0.000 0.450 89 M CA 0.658 55.932 55.300 -0.044 0.000 0.553 89 M CB -2.504 30.066 32.600 -0.051 0.000 2.046 89 M HN 0.451 nan 8.290 nan 0.000 0.797 90 L N 0.968 122.176 121.223 -0.025 0.000 2.322 90 L HA 0.531 4.869 4.340 -0.003 0.000 0.279 90 L C -1.761 175.103 176.870 -0.011 0.000 1.036 90 L CA -1.860 52.972 54.840 -0.014 0.000 0.807 90 L CB 1.441 43.497 42.059 -0.004 0.000 1.226 90 L HN -0.093 nan 8.230 nan 0.000 0.433 91 P HA 0.093 nan 4.420 nan 0.000 0.276 91 P C 0.038 177.345 177.300 0.013 0.000 1.243 91 P CA -0.245 62.858 63.100 0.004 0.000 0.768 91 P CB 1.311 33.017 31.700 0.010 0.000 0.856 92 A N 3.345 126.170 122.820 0.008 0.000 2.067 92 A HA -0.125 4.194 4.320 -0.003 0.000 0.219 92 A C 1.731 179.325 177.584 0.017 0.000 1.158 92 A CA 2.014 54.053 52.037 0.003 0.000 0.661 92 A CB -1.467 17.526 19.000 -0.012 0.000 0.801 92 A HN 0.579 nan 8.150 nan 0.000 0.452 93 T N -3.411 111.168 114.554 0.041 0.000 3.118 93 T HA -0.005 4.343 4.350 -0.003 0.000 0.260 93 T C 1.229 175.973 174.700 0.073 0.000 1.139 93 T CA 1.562 63.703 62.100 0.069 0.000 1.085 93 T CB -0.459 68.468 68.868 0.099 0.000 0.934 93 T HN 0.576 nan 8.240 nan 0.000 0.518 94 T N -1.416 113.174 114.554 0.060 0.000 3.091 94 T HA 0.400 4.749 4.350 -0.003 0.000 0.277 94 T C 0.165 174.906 174.700 0.067 0.000 0.996 94 T CA -0.418 61.726 62.100 0.073 0.000 0.897 94 T CB -0.066 68.840 68.868 0.063 0.000 1.109 94 T HN 0.150 nan 8.240 nan 0.000 0.534 95 V N 3.059 123.005 119.914 0.053 0.000 2.389 95 V HA 0.352 4.470 4.120 -0.003 0.000 0.264 95 V C 0.409 176.543 176.094 0.067 0.000 1.049 95 V CA -0.437 61.896 62.300 0.054 0.000 0.932 95 V CB 0.658 32.501 31.823 0.033 0.000 1.011 95 V HN 0.461 nan 8.190 nan 0.000 0.475 96 S N 4.396 120.153 115.700 0.096 0.000 2.531 96 S HA 0.218 4.687 4.470 -0.003 0.000 0.279 96 S C 0.199 174.858 174.600 0.098 0.000 1.305 96 S CA -0.470 57.801 58.200 0.119 0.000 1.058 96 S CB 1.067 64.364 63.200 0.161 0.000 0.899 96 S HN 0.492 nan 8.310 nan 0.000 0.493 97 V N 4.797 124.761 119.914 0.083 0.000 2.599 97 V HA 0.147 4.266 4.120 -0.003 0.000 0.300 97 V C 0.974 177.110 176.094 0.069 0.000 1.034 97 V CA 0.030 62.364 62.300 0.056 0.000 1.115 97 V CB 0.163 32.008 31.823 0.037 0.000 0.934 97 V HN 1.022 nan 8.190 nan 0.000 0.485 98 T N 0.859 115.443 114.554 0.050 0.000 2.940 98 T HA 0.411 4.759 4.350 -0.003 0.000 0.288 98 T C -0.491 174.226 174.700 0.027 0.000 1.033 98 T CA -0.925 61.202 62.100 0.046 0.000 1.033 98 T CB 1.623 70.519 68.868 0.047 0.000 1.079 98 T HN 0.536 nan 8.240 nan 0.000 0.496 99 D N 0.299 120.714 120.400 0.026 0.000 2.450 99 D HA 0.385 5.023 4.640 -0.003 0.000 0.247 99 D C 1.598 177.904 176.300 0.009 0.000 1.162 99 D CA 1.635 55.642 54.000 0.013 0.000 0.879 99 D CB 0.018 40.827 40.800 0.015 0.000 1.163 99 D HN 1.078 nan 8.370 nan 0.000 0.472 100 G N 3.189 111.988 108.800 -0.002 0.000 2.168 100 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.263 100 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.263 100 G C 0.590 175.487 174.900 -0.005 0.000 0.977 100 G CA 0.333 45.431 45.100 -0.004 0.000 0.659 100 G HN 0.632 nan 8.290 nan 0.000 0.533 101 L N 0.264 121.485 121.223 -0.003 0.000 2.593 101 L HA 0.335 4.673 4.340 -0.003 0.000 0.287 101 L C 0.381 177.242 176.870 -0.015 0.000 1.243 101 L CA 0.233 55.069 54.840 -0.006 0.000 0.890 101 L CB 0.395 42.453 42.059 -0.001 0.000 1.134 101 L HN 0.288 nan 8.230 nan 0.000 0.502 102 N N 3.358 122.048 118.700 -0.018 0.000 2.407 102 N HA 0.697 5.435 4.740 -0.003 0.000 0.277 102 N C -1.394 174.102 175.510 -0.023 0.000 0.995 102 N CA -0.181 52.856 53.050 -0.021 0.000 0.903 102 N CB 1.745 40.220 38.487 -0.021 0.000 1.218 102 N HN 0.724 nan 8.380 nan 0.000 0.487 103 A N 2.061 124.866 122.820 -0.025 0.000 2.386 103 A HA 0.698 5.017 4.320 -0.003 0.000 0.311 103 A C -0.779 176.787 177.584 -0.029 0.000 1.068 103 A CA -0.595 51.426 52.037 -0.026 0.000 0.743 103 A CB 1.101 20.085 19.000 -0.027 0.000 1.258 103 A HN 0.530 nan 8.150 nan 0.000 0.429 104 T N 2.777 117.313 114.554 -0.030 0.000 2.779 104 T HA 0.490 4.838 4.350 -0.003 0.000 0.280 104 T C -0.112 174.567 174.700 -0.036 0.000 0.987 104 T CA -0.213 61.867 62.100 -0.033 0.000 0.966 104 T CB 0.603 69.452 68.868 -0.032 0.000 0.933 104 T HN 0.467 nan 8.240 nan 0.000 0.442 105 L N 3.984 125.184 121.223 -0.038 0.000 2.410 105 L HA 0.360 4.698 4.340 -0.003 0.000 0.273 105 L C 0.128 176.969 176.870 -0.047 0.000 1.144 105 L CA -0.357 54.458 54.840 -0.043 0.000 0.863 105 L CB 0.136 42.168 42.059 -0.044 0.000 1.140 105 L HN 0.382 nan 8.230 nan 0.000 0.463 106 L N 2.243 123.435 121.223 -0.052 0.000 2.387 106 L HA 0.408 4.747 4.340 -0.003 0.000 0.266 106 L C 0.432 177.258 176.870 -0.074 0.000 1.059 106 L CA -0.379 54.425 54.840 -0.060 0.000 0.801 106 L CB 1.577 43.601 42.059 -0.060 0.000 1.223 106 L HN 0.534 nan 8.230 nan 0.000 0.456 107 S N 0.468 116.115 115.700 -0.089 0.000 2.256 107 S HA 0.378 4.846 4.470 -0.003 0.000 0.210 107 S C 0.749 175.259 174.600 -0.150 0.000 1.329 107 S CA 0.178 58.307 58.200 -0.117 0.000 1.267 107 S CB 0.749 63.880 63.200 -0.116 0.000 1.086 107 S HN 1.054 nan 8.310 nan 0.000 0.468 108 G N 1.127 109.850 108.800 -0.128 0.000 2.205 108 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.261 108 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.261 108 G C -0.252 174.578 174.900 -0.116 0.000 0.980 108 G CA 0.254 45.271 45.100 -0.137 0.000 0.632 108 G HN 0.581 nan 8.290 nan 0.000 0.533 109 L N 1.508 122.669 121.223 -0.103 0.000 2.376 109 L HA 0.813 5.151 4.340 -0.003 0.000 0.275 109 L C 0.692 177.523 176.870 -0.064 0.000 0.987 109 L CA 0.147 54.939 54.840 -0.079 0.000 0.828 109 L CB 1.337 43.347 42.059 -0.081 0.000 1.249 109 L HN 0.432 nan 8.230 nan 0.000 0.409 110 G N 3.453 112.217 108.800 -0.059 0.000 2.588 110 G HA2 0.558 4.516 3.960 -0.003 0.000 0.281 110 G HA3 0.558 4.516 3.960 -0.003 0.000 0.281 110 G C -1.251 173.617 174.900 -0.054 0.000 1.236 110 G CA -0.500 44.566 45.100 -0.058 0.000 0.969 110 G HN 0.506 nan 8.290 nan 0.000 0.504 111 V N 0.591 120.473 119.914 -0.054 0.000 2.483 111 V HA 0.307 4.426 4.120 -0.003 0.000 0.297 111 V C -0.021 176.039 176.094 -0.056 0.000 1.027 111 V CA -0.541 61.730 62.300 -0.049 0.000 0.855 111 V CB 1.456 33.254 31.823 -0.040 0.000 0.995 111 V HN 0.553 nan 8.190 nan 0.000 0.424 112 L N 3.630 124.815 121.223 -0.062 0.000 2.331 112 L HA 0.373 4.712 4.340 -0.003 0.000 0.278 112 L C 0.444 177.284 176.870 -0.049 0.000 1.106 112 L CA -0.204 54.594 54.840 -0.070 0.000 0.824 112 L CB 0.647 42.656 42.059 -0.084 0.000 1.142 112 L HN 0.591 nan 8.230 nan 0.000 0.443 113 D N 5.401 125.775 120.400 -0.043 0.000 2.371 113 D HA 0.073 4.711 4.640 -0.003 0.000 0.256 113 D C -1.455 174.831 176.300 -0.024 0.000 1.193 113 D CA -1.327 52.655 54.000 -0.029 0.000 0.881 113 D CB 1.555 42.341 40.800 -0.023 0.000 1.143 113 D HN 0.293 nan 8.370 nan 0.000 0.473 114 P HA 0.027 nan 4.420 nan 0.000 0.236 114 P C 0.025 177.323 177.300 -0.003 0.000 1.177 114 P CA -0.049 63.044 63.100 -0.012 0.000 0.773 114 P CB 0.272 31.966 31.700 -0.009 0.000 0.878 115 S N 0.944 116.644 115.700 -0.000 0.000 2.560 115 S HA 0.051 4.519 4.470 -0.003 0.000 0.284 115 S C 0.435 175.044 174.600 0.015 0.000 1.327 115 S CA -0.242 57.963 58.200 0.008 0.000 1.055 115 S CB 0.414 63.618 63.200 0.008 0.000 0.868 115 S HN 0.170 nan 8.310 nan 0.000 0.506 116 E N 1.473 121.687 120.200 0.023 0.000 2.392 116 E HA 0.012 4.360 4.350 -0.003 0.000 0.264 116 E C -0.488 176.141 176.600 0.049 0.000 1.024 116 E CA -0.268 56.153 56.400 0.035 0.000 0.903 116 E CB 0.465 30.187 29.700 0.037 0.000 0.963 116 E HN 0.427 nan 8.360 nan 0.000 0.432 117 D N 3.495 123.937 120.400 0.070 0.000 2.325 117 D HA 0.062 4.700 4.640 -0.003 0.000 0.251 117 D C -1.654 174.713 176.300 0.112 0.000 1.196 117 D CA -1.969 52.093 54.000 0.103 0.000 0.866 117 D CB 0.961 41.858 40.800 0.161 0.000 1.101 117 D HN 0.141 nan 8.370 nan 0.000 0.476 118 P HA 0.218 nan 4.420 nan 0.000 0.257 118 P C -0.122 177.226 177.300 0.079 0.000 1.281 118 P CA -0.260 62.890 63.100 0.084 0.000 0.826 118 P CB 0.161 31.902 31.700 0.069 0.000 1.237 119 A N 0.346 123.203 122.820 0.063 0.000 2.406 119 A HA 0.233 4.552 4.320 -0.003 0.000 0.243 119 A C -0.734 176.733 177.584 -0.194 0.000 1.082 119 A CA -0.219 51.763 52.037 -0.092 0.000 0.786 119 A CB -0.208 18.648 19.000 -0.240 0.000 1.029 119 A HN 0.235 nan 8.150 nan 0.000 0.495 120 Y N 0.849 120.919 120.300 -0.383 0.000 2.330 120 Y HA 0.575 5.123 4.550 -0.003 0.000 0.336 120 Y C -1.357 174.278 175.900 -0.442 0.000 1.036 120 Y CA -0.263 57.688 58.100 -0.248 0.000 1.125 120 Y CB 0.901 39.288 38.460 -0.121 0.000 1.194 120 Y HN 0.567 nan 8.280 nan 0.000 0.469 121 Y N 4.705 124.875 120.300 -0.217 0.000 2.409 121 Y HA 0.421 4.969 4.550 -0.003 0.000 0.343 121 Y C -0.568 175.229 175.900 -0.171 0.000 0.973 121 Y CA -0.890 57.173 58.100 -0.061 0.000 1.064 121 Y CB 1.629 40.094 38.460 0.007 0.000 1.207 121 Y HN 0.710 nan 8.280 nan 0.000 0.452 122 D N -1.060 119.447 120.400 0.179 0.000 2.744 122 D HA 0.449 5.087 4.640 -0.003 0.000 0.304 122 D C -1.454 175.064 176.300 0.363 0.000 1.179 122 D CA -0.683 53.401 54.000 0.140 0.000 1.024 122 D CB 1.217 42.075 40.800 0.098 0.000 1.453 122 D HN 0.409 nan 8.370 nan 0.000 0.529 123 H N -1.971 117.106 119.070 0.012 0.000 2.821 123 H HA 0.821 5.375 4.556 -0.003 0.000 0.373 123 H C -0.873 174.373 175.328 -0.138 0.000 1.165 123 H CA -0.858 55.179 56.048 -0.018 0.000 1.154 123 H CB 1.949 31.763 29.762 0.086 0.000 1.765 123 H HN 0.249 nan 8.280 nan 0.000 0.549 124 V N 1.869 121.653 119.914 -0.216 0.000 2.925 124 V HA 0.299 4.418 4.120 -0.003 0.000 0.311 124 V C -1.017 174.891 176.094 -0.310 0.000 1.104 124 V CA -0.710 61.392 62.300 -0.330 0.000 0.954 124 V CB 2.071 33.358 31.823 -0.892 0.000 1.022 124 V HN 0.813 nan 8.190 nan 0.000 0.427 125 H N 2.122 121.150 119.070 -0.069 0.000 2.727 125 H HA 0.720 5.275 4.556 -0.003 0.000 0.330 125 H C -0.463 174.925 175.328 0.100 0.000 0.986 125 H CA -0.466 55.600 56.048 0.031 0.000 1.251 125 H CB 1.806 31.566 29.762 -0.002 0.000 1.493 125 H HN 0.591 nan 8.280 nan 0.000 0.515 126 V N 0.042 120.105 119.914 0.248 0.000 3.102 126 V HA 0.614 4.732 4.120 -0.003 0.000 0.312 126 V C -0.571 175.688 176.094 0.275 0.000 1.135 126 V CA -0.990 61.486 62.300 0.292 0.000 1.022 126 V CB 2.210 34.223 31.823 0.315 0.000 1.056 126 V HN 0.668 nan 8.190 nan 0.000 0.436 127 H N 0.070 119.222 119.070 0.137 0.000 2.533 127 H HA 0.895 5.449 4.556 -0.003 0.000 0.343 127 H C -0.029 175.354 175.328 0.091 0.000 1.160 127 H CA 0.115 56.232 56.048 0.114 0.000 1.218 127 H CB 1.917 31.742 29.762 0.105 0.000 1.566 127 H HN 1.056 nan 8.280 nan 0.000 0.522 128 T N -0.298 114.358 114.554 0.171 0.000 2.843 128 T HA 0.174 4.522 4.350 -0.003 0.000 0.302 128 T C 0.047 174.798 174.700 0.086 0.000 1.232 128 T CA -0.629 61.530 62.100 0.099 0.000 1.009 128 T CB 1.133 70.027 68.868 0.043 0.000 1.254 128 T HN 0.561 nan 8.240 nan 0.000 0.504 129 D N 0.583 121.011 120.400 0.047 0.000 2.162 129 D HA 0.141 4.780 4.640 -0.003 0.000 0.205 129 D C 0.418 176.739 176.300 0.035 0.000 0.964 129 D CA 1.129 55.167 54.000 0.063 0.000 0.847 129 D CB 0.369 41.195 40.800 0.043 0.000 0.988 129 D HN 0.275 nan 8.370 nan 0.000 0.480 130 V N 2.077 121.983 119.914 -0.015 0.000 2.482 130 V HA 0.247 4.365 4.120 -0.003 0.000 0.295 130 V C -0.692 175.376 176.094 -0.045 0.000 1.026 130 V CA -0.933 61.350 62.300 -0.029 0.000 0.856 130 V CB 2.299 34.085 31.823 -0.063 0.000 1.001 130 V HN -0.042 nan 8.190 nan 0.000 0.424 131 L N 7.083 128.284 121.223 -0.036 0.000 2.272 131 L HA 0.714 5.052 4.340 -0.003 0.000 0.289 131 L C -0.429 176.402 176.870 -0.064 0.000 1.032 131 L CA 0.152 54.955 54.840 -0.061 0.000 0.810 131 L CB 1.590 43.611 42.059 -0.063 0.000 1.205 131 L HN 0.443 nan 8.230 nan 0.000 0.422 132 V N 5.969 125.832 119.914 -0.084 0.000 2.398 132 V HA 0.448 4.566 4.120 -0.003 0.000 0.286 132 V C -0.251 175.787 176.094 -0.094 0.000 1.026 132 V CA -0.720 61.530 62.300 -0.084 0.000 0.868 132 V CB 1.578 33.344 31.823 -0.094 0.000 0.982 132 V HN 0.526 nan 8.190 nan 0.000 0.443 133 V N 4.114 123.975 119.914 -0.089 0.000 2.328 133 V HA 0.885 5.003 4.120 -0.003 0.000 0.278 133 V C 0.585 176.621 176.094 -0.097 0.000 1.021 133 V CA 0.248 62.486 62.300 -0.103 0.000 0.838 133 V CB 0.582 32.334 31.823 -0.119 0.000 0.999 133 V HN 1.327 nan 8.190 nan 0.000 0.447 134 G N 4.058 112.807 108.800 -0.085 0.000 2.911 134 G HA2 0.338 4.296 3.960 -0.003 0.000 0.686 134 G HA3 0.338 4.296 3.960 -0.003 0.000 0.686 134 G C -0.250 174.618 174.900 -0.055 0.000 1.136 134 G CA -0.238 44.822 45.100 -0.066 0.000 0.764 134 G HN 1.580 nan 8.290 nan 0.000 0.626 135 A N 1.506 124.307 122.820 -0.032 0.000 2.855 135 A HA 0.810 5.128 4.320 -0.003 0.000 0.301 135 A C 1.235 178.820 177.584 0.002 0.000 1.076 135 A CA 1.080 53.098 52.037 -0.032 0.000 1.004 135 A CB -0.128 18.862 19.000 -0.017 0.000 1.152 135 A HN 2.171 nan 8.150 nan 0.000 0.531 136 G N 0.292 109.093 108.800 0.001 0.000 2.508 136 G HA2 0.448 4.406 3.960 -0.003 0.000 0.278 136 G HA3 0.448 4.406 3.960 -0.003 0.000 0.278 136 G C -0.816 174.112 174.900 0.047 0.000 1.389 136 G CA -0.747 44.363 45.100 0.016 0.000 1.050 136 G HN 0.110 nan 8.290 nan 0.000 0.522 137 P HA -0.160 nan 4.420 nan 0.000 0.215 137 P C 1.921 179.246 177.300 0.043 0.000 1.153 137 P CA 2.273 65.399 63.100 0.045 0.000 0.853 137 P CB -0.032 31.610 31.700 -0.097 0.000 0.788 138 A N 0.487 123.301 122.820 -0.010 0.000 1.858 138 A HA -0.059 4.260 4.320 -0.003 0.000 0.216 138 A C 2.670 180.253 177.584 -0.002 0.000 1.190 138 A CA 2.193 54.221 52.037 -0.014 0.000 0.617 138 A CB -1.930 17.044 19.000 -0.042 0.000 0.827 138 A HN 0.306 nan 8.150 nan 0.000 0.443 139 G N -0.660 108.130 108.800 -0.016 0.000 2.448 139 G HA2 -0.036 3.922 3.960 -0.003 0.000 0.218 139 G HA3 -0.036 3.922 3.960 -0.003 0.000 0.218 139 G C 1.526 176.402 174.900 -0.040 0.000 1.135 139 G CA 0.833 45.910 45.100 -0.038 0.000 0.784 139 G HN 0.410 nan 8.290 nan 0.000 0.543 140 L N 0.525 121.752 121.223 0.006 0.000 2.056 140 L HA -0.035 4.303 4.340 -0.003 0.000 0.207 140 L C 3.383 180.277 176.870 0.040 0.000 1.078 140 L CA 1.063 55.897 54.840 -0.010 0.000 0.749 140 L CB -0.336 41.774 42.059 0.084 0.000 0.901 140 L HN 0.293 nan 8.230 nan 0.000 0.433 141 A N -0.096 122.831 122.820 0.179 0.000 1.902 141 A HA -0.169 4.150 4.320 -0.003 0.000 0.217 141 A C 2.509 180.116 177.584 0.039 0.000 1.181 141 A CA 1.705 53.843 52.037 0.169 0.000 0.623 141 A CB -0.721 18.378 19.000 0.165 0.000 0.818 141 A HN 0.405 nan 8.150 nan 0.000 0.443 142 A N -0.204 122.614 122.820 -0.002 0.000 1.902 142 A HA 0.163 4.481 4.320 -0.003 0.000 0.217 142 A C 2.485 180.028 177.584 -0.068 0.000 1.181 142 A CA 2.120 54.131 52.037 -0.043 0.000 0.623 142 A CB -0.936 18.030 19.000 -0.056 0.000 0.818 142 A HN 1.028 nan 8.150 nan 0.000 0.443 143 A N -0.647 122.122 122.820 -0.086 0.000 1.929 143 A HA -0.084 4.235 4.320 -0.003 0.000 0.216 143 A C 2.236 179.749 177.584 -0.119 0.000 1.176 143 A CA 1.448 53.413 52.037 -0.120 0.000 0.628 143 A CB -0.486 18.413 19.000 -0.169 0.000 0.816 143 A HN 0.523 nan 8.150 nan 0.000 0.444 144 R N -0.270 120.162 120.500 -0.113 0.000 2.080 144 R HA -0.173 4.165 4.340 -0.003 0.000 0.236 144 R C 1.953 178.209 176.300 -0.074 0.000 1.137 144 R CA 1.822 57.857 56.100 -0.107 0.000 0.943 144 R CB -0.223 30.016 30.300 -0.101 0.000 0.846 144 R HN 0.482 nan 8.270 nan 0.000 0.431 145 E N 0.085 120.255 120.200 -0.050 0.000 2.077 145 E HA -0.153 4.196 4.350 -0.003 0.000 0.193 145 E C 1.864 178.431 176.600 -0.055 0.000 0.989 145 E CA 1.301 57.676 56.400 -0.041 0.000 0.800 145 E CB -0.272 29.410 29.700 -0.029 0.000 0.746 145 E HN 0.460 nan 8.360 nan 0.000 0.452 146 A N 0.950 123.726 122.820 -0.074 0.000 1.930 146 A HA -0.139 4.180 4.320 -0.003 0.000 0.217 146 A C 2.407 179.928 177.584 -0.106 0.000 1.175 146 A CA 1.775 53.761 52.037 -0.086 0.000 0.627 146 A CB -0.501 18.439 19.000 -0.099 0.000 0.815 146 A HN 0.242 nan 8.150 nan 0.000 0.443 147 S N -0.338 115.298 115.700 -0.106 0.000 2.356 147 S HA -0.179 4.290 4.470 -0.003 0.000 0.223 147 S C 2.117 176.659 174.600 -0.096 0.000 1.032 147 S CA 1.374 59.506 58.200 -0.113 0.000 1.005 147 S CB -0.348 62.786 63.200 -0.110 0.000 0.867 147 S HN 0.616 nan 8.310 nan 0.000 0.449 148 R N 0.950 121.407 120.500 -0.072 0.000 2.200 148 R HA -0.055 4.283 4.340 -0.003 0.000 0.234 148 R C 2.516 178.798 176.300 -0.030 0.000 1.127 148 R CA 1.412 57.484 56.100 -0.047 0.000 0.989 148 R CB -0.418 29.861 30.300 -0.035 0.000 0.869 148 R HN 0.639 nan 8.270 nan 0.000 0.459 149 S N -1.026 114.653 115.700 -0.035 0.000 2.489 149 S HA 0.046 4.515 4.470 -0.003 0.000 0.228 149 S C 1.547 176.160 174.600 0.021 0.000 0.995 149 S CA 0.655 58.866 58.200 0.018 0.000 0.934 149 S CB 0.445 63.673 63.200 0.047 0.000 0.771 149 S HN 0.501 nan 8.310 nan 0.000 0.522 150 G N 0.632 109.370 108.800 -0.104 0.000 2.175 150 G HA2 -0.094 3.864 3.960 -0.003 0.000 0.244 150 G HA3 -0.094 3.864 3.960 -0.003 0.000 0.244 150 G C 0.319 174.822 174.900 -0.662 0.000 0.982 150 G CA 0.011 45.008 45.100 -0.171 0.000 0.641 150 G HN 1.262 nan 8.290 nan 0.000 0.527 151 A N 0.243 122.526 122.820 -0.894 0.000 2.386 151 A HA 0.660 4.978 4.320 -0.003 0.000 0.246 151 A C 0.856 178.086 177.584 -0.591 0.000 1.089 151 A CA 0.100 51.377 52.037 -1.265 0.000 0.790 151 A CB 0.242 18.845 19.000 -0.662 0.000 1.042 151 A HN 0.500 nan 8.150 nan 0.000 0.497 152 R N -0.075 120.168 120.500 -0.428 0.000 2.442 152 R HA 0.406 4.744 4.340 -0.003 0.000 0.291 152 R C -1.167 175.049 176.300 -0.140 0.000 1.069 152 R CA -0.034 55.952 56.100 -0.190 0.000 1.022 152 R CB 0.578 30.830 30.300 -0.080 0.000 0.976 152 R HN 0.413 nan 8.270 nan 0.000 0.443 153 V N 5.172 125.018 119.914 -0.112 0.000 2.709 153 V HA 0.405 4.523 4.120 -0.003 0.000 0.308 153 V C -0.236 175.807 176.094 -0.085 0.000 1.062 153 V CA -0.749 61.489 62.300 -0.102 0.000 0.901 153 V CB 2.100 33.850 31.823 -0.121 0.000 1.003 153 V HN 0.712 nan 8.190 nan 0.000 0.425 154 M N 5.327 124.873 119.600 -0.089 0.000 2.311 154 M HA 0.587 5.065 4.480 -0.003 0.000 0.325 154 M C -1.361 174.866 176.300 -0.122 0.000 1.061 154 M CA -0.687 54.546 55.300 -0.112 0.000 0.957 154 M CB 2.170 34.690 32.600 -0.134 0.000 1.646 154 M HN 0.472 nan 8.290 nan 0.000 0.434 155 L N 4.954 126.105 121.223 -0.121 0.000 2.319 155 L HA 0.640 4.978 4.340 -0.003 0.000 0.281 155 L C -1.845 174.983 176.870 -0.071 0.000 1.005 155 L CA -0.406 54.360 54.840 -0.123 0.000 0.828 155 L CB 0.951 42.877 42.059 -0.222 0.000 1.227 155 L HN 0.549 nan 8.230 nan 0.000 0.415 156 L N 4.634 125.797 121.223 -0.100 0.000 2.334 156 L HA 0.684 5.022 4.340 -0.003 0.000 0.276 156 L C -0.650 176.187 176.870 -0.054 0.000 1.014 156 L CA -0.246 54.535 54.840 -0.099 0.000 0.815 156 L CB 1.817 43.774 42.059 -0.170 0.000 1.268 156 L HN 0.668 nan 8.230 nan 0.000 0.428 157 D N -0.777 119.610 120.400 -0.021 0.000 2.837 157 D HA 0.244 4.883 4.640 -0.003 0.000 0.220 157 D C 0.285 176.589 176.300 0.007 0.000 1.236 157 D CA -0.353 53.646 54.000 -0.002 0.000 0.838 157 D CB 1.571 42.388 40.800 0.030 0.000 1.647 157 D HN 0.671 nan 8.370 nan 0.000 0.486 158 E N 2.171 122.389 120.200 0.030 0.000 2.427 158 E HA 0.034 4.383 4.350 -0.003 0.000 0.196 158 E C 0.162 176.789 176.600 0.045 0.000 1.028 158 E CA 0.231 56.664 56.400 0.056 0.000 0.864 158 E CB 0.414 30.182 29.700 0.112 0.000 0.813 158 E HN 0.262 nan 8.360 nan 0.000 0.514 159 R N 0.719 121.240 120.500 0.035 0.000 2.541 159 R HA 0.196 4.534 4.340 -0.003 0.000 0.263 159 R C -1.722 174.573 176.300 -0.007 0.000 1.112 159 R CA -1.816 54.300 56.100 0.028 0.000 1.170 159 R CB 0.028 30.347 30.300 0.032 0.000 1.167 159 R HN -0.102 nan 8.270 nan 0.000 0.582 160 P HA -0.136 nan 4.420 nan 0.000 0.219 160 P C -0.617 176.648 177.300 -0.059 0.000 1.150 160 P CA 1.324 64.390 63.100 -0.058 0.000 0.814 160 P CB 0.286 31.972 31.700 -0.022 0.000 0.787 161 E N -2.058 118.126 120.200 -0.028 0.000 2.433 161 E HA 0.652 5.000 4.350 -0.003 0.000 0.278 161 E C -1.144 175.468 176.600 0.020 0.000 0.976 161 E CA -1.355 55.035 56.400 -0.017 0.000 0.793 161 E CB 1.225 30.914 29.700 -0.019 0.000 1.311 161 E HN -0.170 nan 8.360 nan 0.000 0.460 162 A N -0.058 122.801 122.820 0.065 0.000 2.386 162 A HA 0.583 4.901 4.320 -0.003 0.000 0.246 162 A C 1.094 178.703 177.584 0.042 0.000 1.089 162 A CA 0.678 52.765 52.037 0.083 0.000 0.790 162 A CB -0.275 18.793 19.000 0.114 0.000 1.042 162 A HN 1.392 nan 8.150 nan 0.000 0.497 163 G N -1.292 107.533 108.800 0.041 0.000 2.480 163 G HA2 0.284 4.242 3.960 -0.003 0.000 0.193 163 G HA3 0.284 4.242 3.960 -0.003 0.000 0.193 163 G C 1.735 176.651 174.900 0.026 0.000 1.004 163 G CA 0.783 45.911 45.100 0.047 0.000 0.696 163 G HN 2.707 nan 8.290 nan 0.000 0.478 164 G N -0.073 108.736 108.800 0.016 0.000 2.651 164 G HA2 -0.290 3.669 3.960 -0.003 0.000 0.315 164 G HA3 -0.290 3.669 3.960 -0.003 0.000 0.315 164 G C 1.203 176.101 174.900 -0.002 0.000 1.258 164 G CA 2.029 47.135 45.100 0.009 0.000 1.002 164 G HN 1.351 nan 8.290 nan 0.000 0.551 165 T N 1.632 116.182 114.554 -0.007 0.000 2.995 165 T HA 0.120 4.469 4.350 -0.003 0.000 0.269 165 T C 2.503 177.185 174.700 -0.031 0.000 1.091 165 T CA 1.382 63.471 62.100 -0.017 0.000 1.128 165 T CB -0.157 68.698 68.868 -0.023 0.000 0.891 165 T HN 0.405 nan 8.240 nan 0.000 0.492 166 L N 0.593 121.801 121.223 -0.025 0.000 2.127 166 L HA -0.113 4.225 4.340 -0.003 0.000 0.211 166 L C 2.761 179.612 176.870 -0.032 0.000 1.089 166 L CA 1.005 55.830 54.840 -0.025 0.000 0.757 166 L CB -0.492 41.568 42.059 0.002 0.000 0.899 166 L HN 0.077 nan 8.230 nan 0.000 0.434 167 R N 0.579 121.055 120.500 -0.041 0.000 2.152 167 R HA -0.126 4.212 4.340 -0.003 0.000 0.232 167 R C 1.664 177.902 176.300 -0.104 0.000 1.117 167 R CA 0.994 57.049 56.100 -0.076 0.000 0.981 167 R CB -0.527 29.714 30.300 -0.099 0.000 0.870 167 R HN 0.562 nan 8.270 nan 0.000 0.451 168 E N 0.056 120.206 120.200 -0.083 0.000 2.489 168 E HA 0.178 4.526 4.350 -0.003 0.000 0.193 168 E C 0.271 176.842 176.600 -0.049 0.000 1.057 168 E CA 0.018 56.371 56.400 -0.079 0.000 0.866 168 E CB 0.480 30.145 29.700 -0.058 0.000 0.916 168 E HN 0.186 nan 8.360 nan 0.000 0.500 169 A N 1.072 123.866 122.820 -0.044 0.000 2.344 169 A HA 0.727 5.046 4.320 -0.003 0.000 0.307 169 A C -0.160 177.406 177.584 -0.030 0.000 1.151 169 A CA -0.365 51.652 52.037 -0.033 0.000 0.842 169 A CB 1.594 20.570 19.000 -0.039 0.000 1.350 169 A HN 0.085 nan 8.150 nan 0.000 0.459 170 S N -2.093 113.593 115.700 -0.024 0.000 2.643 170 S HA 0.597 5.066 4.470 -0.003 0.000 0.270 170 S C 0.481 175.068 174.600 -0.021 0.000 1.166 170 S CA 0.477 58.664 58.200 -0.022 0.000 0.815 170 S CB 0.686 63.877 63.200 -0.016 0.000 1.139 170 S HN 2.731 nan 8.310 nan 0.000 0.472 171 G N 0.107 108.896 108.800 -0.019 0.000 2.155 171 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.257 171 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.257 171 G C -0.173 174.709 174.900 -0.031 0.000 0.983 171 G CA 0.742 45.831 45.100 -0.020 0.000 0.676 171 G HN 1.006 nan 8.290 nan 0.000 0.528 172 E N 0.295 120.471 120.200 -0.040 0.000 2.158 172 E HA 0.482 4.831 4.350 -0.003 0.000 0.271 172 E C 0.290 176.850 176.600 -0.068 0.000 0.911 172 E CA -0.577 55.787 56.400 -0.060 0.000 0.767 172 E CB 0.637 30.292 29.700 -0.075 0.000 1.120 172 E HN 0.456 nan 8.360 nan 0.000 0.405 173 Q N 3.115 122.869 119.800 -0.076 0.000 2.214 173 Q HA 0.498 4.836 4.340 -0.003 0.000 0.251 173 Q C -0.417 175.489 176.000 -0.157 0.000 0.936 173 Q CA -0.566 55.187 55.803 -0.083 0.000 0.894 173 Q CB 1.898 30.604 28.738 -0.055 0.000 1.252 173 Q HN 0.533 nan 8.270 nan 0.000 0.448 174 I N 1.462 121.911 120.570 -0.201 0.000 2.498 174 I HA 0.142 4.310 4.170 -0.003 0.000 0.290 174 I C -0.649 175.323 176.117 -0.242 0.000 1.032 174 I CA -0.573 60.489 61.300 -0.396 0.000 1.073 174 I CB 1.907 39.348 38.000 -0.931 0.000 1.251 174 I HN 0.597 nan 8.210 nan 0.000 0.426 175 D N 4.891 125.181 120.400 -0.184 0.000 2.751 175 D HA -0.198 4.440 4.640 -0.003 0.000 0.233 175 D C 1.143 177.449 176.300 0.011 0.000 1.149 175 D CA 1.719 55.704 54.000 -0.026 0.000 0.682 175 D CB -0.928 39.943 40.800 0.119 0.000 1.068 175 D HN 1.178 nan 8.370 nan 0.000 0.429 176 G N -0.419 108.367 108.800 -0.024 0.000 2.153 176 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.252 176 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.252 176 G C 0.470 175.377 174.900 0.012 0.000 0.994 176 G CA 0.727 45.822 45.100 -0.008 0.000 0.698 176 G HN 0.818 nan 8.290 nan 0.000 0.521 177 I N -3.725 116.863 120.570 0.030 0.000 3.002 177 I HA 0.689 4.857 4.170 -0.003 0.000 0.310 177 I C -0.505 175.637 176.117 0.042 0.000 1.087 177 I CA -1.580 59.750 61.300 0.049 0.000 1.017 177 I CB 1.502 39.555 38.000 0.089 0.000 1.226 177 I HN -0.192 nan 8.210 nan 0.000 0.443 178 D N 2.634 123.057 120.400 0.039 0.000 2.506 178 D HA 0.092 4.731 4.640 -0.003 0.000 0.234 178 D C 1.137 177.478 176.300 0.067 0.000 1.143 178 D CA 0.502 54.521 54.000 0.032 0.000 0.871 178 D CB 1.485 42.299 40.800 0.024 0.000 1.190 178 D HN 0.754 nan 8.370 nan 0.000 0.459 179 A N 2.613 125.458 122.820 0.041 0.000 1.940 179 A HA -0.173 4.145 4.320 -0.003 0.000 0.219 179 A C 2.100 179.772 177.584 0.147 0.000 1.176 179 A CA 2.273 54.357 52.037 0.080 0.000 0.631 179 A CB -0.644 18.361 19.000 0.008 0.000 0.814 179 A HN 0.638 nan 8.150 nan 0.000 0.446 180 A N -0.422 122.446 122.820 0.080 0.000 1.908 180 A HA -0.253 4.065 4.320 -0.003 0.000 0.218 180 A C 2.119 179.744 177.584 0.068 0.000 1.181 180 A CA 1.783 53.856 52.037 0.061 0.000 0.627 180 A CB -0.638 18.375 19.000 0.021 0.000 0.818 180 A HN 0.705 nan 8.150 nan 0.000 0.445 181 Q N -2.254 117.592 119.800 0.075 0.000 2.079 181 Q HA -0.218 4.120 4.340 -0.003 0.000 0.200 181 Q C 1.958 178.013 176.000 0.091 0.000 0.974 181 Q CA 1.532 57.372 55.803 0.062 0.000 0.840 181 Q CB -0.319 28.454 28.738 0.058 0.000 0.898 181 Q HN 0.863 nan 8.270 nan 0.000 0.430 182 W N 1.639 122.922 121.300 -0.028 0.000 2.358 182 W HA -0.153 4.505 4.660 -0.003 0.000 0.303 182 W C 1.679 178.178 176.519 -0.033 0.000 1.208 182 W CA 1.344 58.671 57.345 -0.031 0.000 1.274 182 W CB -0.118 29.321 29.460 -0.034 0.000 1.138 182 W HN 0.002 nan 8.180 nan 0.000 0.515 183 I N 0.370 121.023 120.570 0.138 0.000 2.226 183 I HA -0.318 3.851 4.170 -0.003 0.000 0.245 183 I C 2.078 178.105 176.117 -0.150 0.000 1.100 183 I CA 1.738 63.020 61.300 -0.030 0.000 1.374 183 I CB -0.622 37.431 38.000 0.087 0.000 1.057 183 I HN -0.107 nan 8.210 nan 0.000 0.413 184 D N 0.977 121.327 120.400 -0.085 0.000 2.117 184 D HA -0.133 4.505 4.640 -0.003 0.000 0.197 184 D C 2.291 178.508 176.300 -0.139 0.000 0.987 184 D CA 1.563 55.514 54.000 -0.083 0.000 0.829 184 D CB -0.212 40.561 40.800 -0.044 0.000 0.961 184 D HN 0.334 nan 8.370 nan 0.000 0.460 185 A N 0.610 123.317 122.820 -0.188 0.000 1.883 185 A HA -0.158 4.160 4.320 -0.003 0.000 0.217 185 A C 2.542 179.934 177.584 -0.320 0.000 1.186 185 A CA 1.464 53.363 52.037 -0.231 0.000 0.624 185 A CB -0.771 18.084 19.000 -0.241 0.000 0.822 185 A HN 0.155 nan 8.150 nan 0.000 0.444 186 V N 0.521 120.128 119.914 -0.512 0.000 2.307 186 V HA -0.227 3.891 4.120 -0.003 0.000 0.245 186 V C 3.010 178.924 176.094 -0.301 0.000 1.045 186 V CA 2.444 64.437 62.300 -0.511 0.000 1.024 186 V CB -1.485 29.858 31.823 -0.799 0.000 0.651 186 V HN 0.842 nan 8.190 nan 0.000 0.449 187 T N -1.712 112.709 114.554 -0.222 0.000 2.867 187 T HA -0.201 4.147 4.350 -0.003 0.000 0.268 187 T C 1.632 176.303 174.700 -0.048 0.000 1.057 187 T CA 1.595 63.639 62.100 -0.093 0.000 1.136 187 T CB -0.397 68.488 68.868 0.027 0.000 0.874 187 T HN 0.559 nan 8.240 nan 0.000 0.466 188 E N 1.223 121.376 120.200 -0.077 0.000 2.085 188 E HA -0.179 4.169 4.350 -0.003 0.000 0.194 188 E C 2.284 178.841 176.600 -0.071 0.000 0.994 188 E CA 1.457 57.819 56.400 -0.063 0.000 0.801 188 E CB -0.181 29.479 29.700 -0.067 0.000 0.743 188 E HN 0.769 nan 8.360 nan 0.000 0.453 189 E N 0.870 121.005 120.200 -0.107 0.000 2.077 189 E HA -0.204 4.145 4.350 -0.003 0.000 0.193 189 E C 2.070 178.618 176.600 -0.088 0.000 0.989 189 E CA 0.812 57.151 56.400 -0.102 0.000 0.800 189 E CB -0.018 29.602 29.700 -0.132 0.000 0.746 189 E HN 0.232 nan 8.360 nan 0.000 0.452 190 L N 0.341 121.505 121.223 -0.099 0.000 2.093 190 L HA -0.116 4.222 4.340 -0.003 0.000 0.208 190 L C 2.697 179.550 176.870 -0.028 0.000 1.085 190 L CA 0.926 55.718 54.840 -0.080 0.000 0.755 190 L CB -0.491 41.496 42.059 -0.120 0.000 0.904 190 L HN 0.221 nan 8.230 nan 0.000 0.435 191 A N 0.138 122.953 122.820 -0.008 0.000 1.930 191 A HA -0.079 4.240 4.320 -0.003 0.000 0.217 191 A C 2.422 180.000 177.584 -0.012 0.000 1.175 191 A CA 1.577 53.616 52.037 0.004 0.000 0.627 191 A CB -0.503 18.498 19.000 0.003 0.000 0.815 191 A HN 0.384 nan 8.150 nan 0.000 0.443 192 A N -0.763 122.042 122.820 -0.025 0.000 2.169 192 A HA 0.555 4.873 4.320 -0.003 0.000 0.212 192 A C 1.302 178.869 177.584 -0.027 0.000 1.153 192 A CA 0.739 52.761 52.037 -0.025 0.000 0.756 192 A CB -0.626 18.356 19.000 -0.031 0.000 0.813 192 A HN 0.925 nan 8.150 nan 0.000 0.471 193 A N 0.004 122.804 122.820 -0.034 0.000 2.362 193 A HA 0.432 4.750 4.320 -0.003 0.000 0.276 193 A C 0.718 178.284 177.584 -0.031 0.000 1.153 193 A CA -0.149 51.864 52.037 -0.040 0.000 0.813 193 A CB 0.242 19.207 19.000 -0.058 0.000 1.081 193 A HN 0.468 nan 8.150 nan 0.000 0.507 194 E N 1.103 121.286 120.200 -0.027 0.000 2.285 194 E HA -0.079 4.269 4.350 -0.003 0.000 0.194 194 E C 0.347 176.935 176.600 -0.020 0.000 0.997 194 E CA 0.626 57.016 56.400 -0.017 0.000 0.845 194 E CB 0.275 29.969 29.700 -0.010 0.000 0.782 194 E HN 0.718 nan 8.360 nan 0.000 0.491 195 E N 0.208 120.382 120.200 -0.043 0.000 2.499 195 E HA 0.097 4.445 4.350 -0.003 0.000 0.199 195 E C -0.581 175.980 176.600 -0.065 0.000 1.016 195 E CA 0.130 56.497 56.400 -0.055 0.000 0.933 195 E CB 1.244 30.888 29.700 -0.095 0.000 1.050 195 E HN -0.041 nan 8.360 nan 0.000 0.462 196 T N 1.002 115.524 114.554 -0.052 0.000 2.797 196 T HA 0.395 4.743 4.350 -0.003 0.000 0.279 196 T C -0.105 174.581 174.700 -0.024 0.000 0.991 196 T CA -0.270 61.798 62.100 -0.055 0.000 0.979 196 T CB 1.769 70.597 68.868 -0.067 0.000 0.943 196 T HN -0.189 nan 8.240 nan 0.000 0.444 197 T N 2.965 117.502 114.554 -0.028 0.000 2.786 197 T HA 0.310 4.658 4.350 -0.003 0.000 0.283 197 T C -0.696 173.997 174.700 -0.012 0.000 0.992 197 T CA -0.558 61.530 62.100 -0.019 0.000 0.954 197 T CB 0.472 69.317 68.868 -0.038 0.000 0.934 197 T HN 0.676 nan 8.240 nan 0.000 0.440 198 H N 4.268 123.270 119.070 -0.115 0.000 2.638 198 H HA 0.511 5.065 4.556 -0.003 0.000 0.303 198 H C -0.973 174.273 175.328 -0.137 0.000 1.034 198 H CA -0.957 55.016 56.048 -0.125 0.000 1.225 198 H CB 0.425 30.129 29.762 -0.097 0.000 1.394 198 H HN 0.408 nan 8.280 nan 0.000 0.477 199 L N 5.324 126.507 121.223 -0.066 0.000 2.280 199 L HA 0.281 4.619 4.340 -0.003 0.000 0.287 199 L C -0.087 176.698 176.870 -0.143 0.000 1.023 199 L CA -0.787 53.936 54.840 -0.196 0.000 0.819 199 L CB 1.486 43.340 42.059 -0.342 0.000 1.212 199 L HN 0.566 nan 8.230 nan 0.000 0.420 200 Q N 2.479 122.159 119.800 -0.201 0.000 2.185 200 Q HA 0.395 4.733 4.340 -0.003 0.000 0.225 200 Q C 0.237 176.183 176.000 -0.090 0.000 0.983 200 Q CA -0.616 55.111 55.803 -0.127 0.000 0.950 200 Q CB 1.169 29.805 28.738 -0.169 0.000 1.176 200 Q HN 0.412 nan 8.270 nan 0.000 0.510 201 R N -1.018 119.446 120.500 -0.060 0.000 3.741 201 R HA -0.128 4.210 4.340 -0.003 0.000 0.292 201 R C -0.633 175.672 176.300 0.007 0.000 1.176 201 R CA 0.803 56.885 56.100 -0.031 0.000 0.794 201 R CB -2.279 27.978 30.300 -0.072 0.000 1.213 201 R HN 0.456 nan 8.270 nan 0.000 0.494 202 T N 0.230 114.781 114.554 -0.006 0.000 2.841 202 T HA 0.342 4.690 4.350 -0.003 0.000 0.285 202 T C -0.105 174.610 174.700 0.024 0.000 0.991 202 T CA -0.445 61.654 62.100 -0.001 0.000 0.966 202 T CB 2.215 71.019 68.868 -0.107 0.000 0.962 202 T HN -0.031 nan 8.240 nan 0.000 0.438 203 T N 2.762 117.373 114.554 0.096 0.000 2.758 203 T HA 0.366 4.714 4.350 -0.003 0.000 0.285 203 T C 0.300 175.086 174.700 0.143 0.000 0.981 203 T CA -0.496 61.693 62.100 0.149 0.000 0.965 203 T CB 0.922 69.936 68.868 0.243 0.000 0.927 203 T HN 0.357 nan 8.240 nan 0.000 0.448 204 V N 6.095 126.028 119.914 0.031 0.000 2.415 204 V HA 0.114 4.232 4.120 -0.003 0.000 0.267 204 V C 0.735 176.861 176.094 0.053 0.000 1.042 204 V CA 0.192 62.460 62.300 -0.053 0.000 1.000 204 V CB -0.782 30.962 31.823 -0.132 0.000 1.015 204 V HN 0.951 nan 8.190 nan 0.000 0.478 205 F N 2.573 122.546 119.950 0.038 0.000 2.717 205 F HA 0.715 5.241 4.527 -0.003 0.000 0.297 205 F C 0.839 176.688 175.800 0.081 0.000 1.113 205 F CA -0.188 57.880 58.000 0.113 0.000 1.319 205 F CB 0.153 39.229 39.000 0.126 0.000 1.097 205 F HN 0.404 nan 8.300 nan 0.000 0.595 206 G N 0.044 108.684 108.800 -0.267 0.000 2.719 206 G HA2 0.462 4.420 3.960 -0.003 0.000 0.298 206 G HA3 0.462 4.420 3.960 -0.003 0.000 0.298 206 G C -1.829 172.785 174.900 -0.476 0.000 1.411 206 G CA -0.740 44.194 45.100 -0.276 0.000 0.991 206 G HN 0.174 nan 8.290 nan 0.000 0.509 207 S N 0.674 115.951 115.700 -0.706 0.000 2.707 207 S HA 0.784 5.253 4.470 -0.003 0.000 0.303 207 S C -1.296 172.936 174.600 -0.612 0.000 1.132 207 S CA -0.592 57.337 58.200 -0.451 0.000 1.046 207 S CB 0.402 63.453 63.200 -0.248 0.000 1.004 207 S HN 0.452 nan 8.310 nan 0.000 0.483 208 Y N 1.260 121.589 120.300 0.049 0.000 2.693 208 Y HA 0.438 4.986 4.550 -0.003 0.000 0.331 208 Y C 0.153 176.097 175.900 0.073 0.000 1.092 208 Y CA -1.266 56.881 58.100 0.079 0.000 1.131 208 Y CB 0.423 38.971 38.460 0.146 0.000 1.318 208 Y HN 0.504 nan 8.280 nan 0.000 0.510 209 D N 0.664 121.196 120.400 0.219 0.000 2.571 209 D HA 0.306 4.944 4.640 -0.003 0.000 0.231 209 D C 0.270 176.634 176.300 0.108 0.000 1.133 209 D CA 1.784 55.850 54.000 0.110 0.000 0.862 209 D CB 0.185 41.028 40.800 0.070 0.000 1.179 209 D HN 0.858 nan 8.370 nan 0.000 0.474 210 A N 3.279 126.140 122.820 0.069 0.000 2.791 210 A HA -0.312 4.007 4.320 -0.003 0.000 0.292 210 A C 0.529 178.172 177.584 0.098 0.000 1.487 210 A CA 0.544 52.621 52.037 0.067 0.000 0.760 210 A CB -1.949 17.083 19.000 0.053 0.000 1.031 210 A HN 0.706 nan 8.150 nan 0.000 0.503 211 N N -3.058 115.697 118.700 0.092 0.000 2.738 211 N HA -0.220 4.518 4.740 -0.003 0.000 0.249 211 N C -0.512 175.078 175.510 0.133 0.000 1.047 211 N CA 1.764 54.862 53.050 0.081 0.000 0.707 211 N CB -1.771 36.749 38.487 0.055 0.000 0.937 211 N HN 1.027 nan 8.380 nan 0.000 0.545 212 Y N 0.465 120.791 120.300 0.042 0.000 2.425 212 Y HA 0.522 5.070 4.550 -0.003 0.000 0.347 212 Y C -0.000 175.957 175.900 0.095 0.000 0.976 212 Y CA -0.765 57.373 58.100 0.063 0.000 1.190 212 Y CB 0.440 38.960 38.460 0.101 0.000 1.136 212 Y HN 0.110 nan 8.280 nan 0.000 0.517 213 I N 6.291 126.711 120.570 -0.250 0.000 2.493 213 I HA 0.349 4.518 4.170 -0.003 0.000 0.298 213 I C -1.128 174.728 176.117 -0.435 0.000 0.998 213 I CA -0.697 60.459 61.300 -0.241 0.000 1.137 213 I CB 1.728 39.607 38.000 -0.202 0.000 1.310 213 I HN 0.484 nan 8.210 nan 0.000 0.445 214 L N 5.847 126.794 121.223 -0.460 0.000 2.287 214 L HA 0.822 5.160 4.340 -0.003 0.000 0.287 214 L C -0.299 176.030 176.870 -0.902 0.000 1.022 214 L CA -0.026 54.339 54.840 -0.792 0.000 0.814 214 L CB 1.407 42.895 42.059 -0.953 0.000 1.217 214 L HN 0.727 nan 8.230 nan 0.000 0.420 215 A N 3.045 125.582 122.820 -0.472 0.000 2.454 215 A HA 0.939 5.257 4.320 -0.003 0.000 0.302 215 A C -1.000 176.726 177.584 0.236 0.000 1.079 215 A CA -0.524 51.448 52.037 -0.109 0.000 0.731 215 A CB 1.728 20.669 19.000 -0.097 0.000 1.299 215 A HN 0.675 nan 8.150 nan 0.000 0.413 216 A N 1.327 124.380 122.820 0.389 0.000 2.277 216 A HA 0.602 4.920 4.320 -0.003 0.000 0.318 216 A C -0.261 177.473 177.584 0.250 0.000 1.339 216 A CA -0.414 51.830 52.037 0.346 0.000 0.875 216 A CB 0.355 19.523 19.000 0.279 0.000 1.158 216 A HN 0.847 nan 8.150 nan 0.000 0.514 217 Q N 2.232 122.212 119.800 0.300 0.000 2.296 217 Q HA 0.408 4.746 4.340 -0.003 0.000 0.257 217 Q C -0.816 175.316 176.000 0.220 0.000 0.942 217 Q CA -0.731 55.211 55.803 0.232 0.000 0.939 217 Q CB 0.636 29.577 28.738 0.338 0.000 1.198 217 Q HN 0.570 nan 8.270 nan 0.000 0.429 218 R N 3.251 123.847 120.500 0.158 0.000 2.205 218 R HA 0.215 4.554 4.340 -0.003 0.000 0.342 218 R C 0.522 176.926 176.300 0.173 0.000 1.058 218 R CA 0.034 56.235 56.100 0.167 0.000 0.904 218 R CB 0.462 30.843 30.300 0.134 0.000 1.089 218 R HN 0.710 nan 8.270 nan 0.000 0.471 219 R N 0.229 120.851 120.500 0.204 0.000 2.075 219 R HA 0.015 4.353 4.340 -0.003 0.000 0.220 219 R C 0.807 177.264 176.300 0.262 0.000 1.118 219 R CA 1.492 57.719 56.100 0.211 0.000 0.986 219 R CB 0.377 30.789 30.300 0.186 0.000 0.884 219 R HN 0.617 nan 8.270 nan 0.000 0.439 220 T N -2.771 111.912 114.554 0.215 0.000 3.170 220 T HA 0.182 4.530 4.350 -0.003 0.000 0.288 220 T C 1.449 176.241 174.700 0.153 0.000 0.992 220 T CA -0.262 61.924 62.100 0.143 0.000 0.909 220 T CB 0.457 69.364 68.868 0.065 0.000 1.133 220 T HN -0.138 nan 8.240 nan 0.000 0.530 221 V N 2.839 122.901 119.914 0.247 0.000 2.490 221 V HA -0.152 3.966 4.120 -0.003 0.000 0.250 221 V C 2.606 178.819 176.094 0.199 0.000 1.061 221 V CA 2.009 64.429 62.300 0.199 0.000 1.064 221 V CB -0.925 31.008 31.823 0.182 0.000 0.670 221 V HN 0.840 nan 8.190 nan 0.000 0.461 222 H N -1.607 117.509 119.070 0.077 0.000 2.533 222 H HA 0.212 4.766 4.556 -0.003 0.000 0.271 222 H C 0.301 175.672 175.328 0.071 0.000 1.000 222 H CA -0.422 55.668 56.048 0.071 0.000 1.149 222 H CB -0.223 29.580 29.762 0.067 0.000 1.375 222 H HN 0.262 nan 8.280 nan 0.000 0.582 223 L N 2.177 123.235 121.223 -0.275 0.000 2.307 223 L HA 0.147 4.485 4.340 -0.003 0.000 0.282 223 L C 1.018 177.867 176.870 -0.035 0.000 1.051 223 L CA -0.164 54.531 54.840 -0.242 0.000 0.804 223 L CB 1.706 43.625 42.059 -0.232 0.000 1.197 223 L HN -0.000 nan 8.230 nan 0.000 0.431 224 D N 2.123 122.511 120.400 -0.020 0.000 2.144 224 D HA -0.005 4.633 4.640 -0.003 0.000 0.199 224 D C 0.876 177.220 176.300 0.074 0.000 0.984 224 D CA 1.345 55.368 54.000 0.038 0.000 0.834 224 D CB 0.284 41.093 40.800 0.016 0.000 0.955 224 D HN 0.647 nan 8.370 nan 0.000 0.465 225 G N 1.178 109.960 108.800 -0.029 0.000 3.298 225 G HA2 0.368 4.327 3.960 -0.003 0.000 0.303 225 G HA3 0.368 4.327 3.960 -0.003 0.000 0.303 225 G C -2.903 171.881 174.900 -0.194 0.000 1.668 225 G CA -0.838 44.167 45.100 -0.159 0.000 0.733 225 G HN -0.133 nan 8.290 nan 0.000 0.453 226 P HA 0.250 nan 4.420 nan 0.000 0.280 226 P C 1.076 178.267 177.300 -0.182 0.000 1.244 226 P CA -0.173 62.829 63.100 -0.163 0.000 0.784 226 P CB 1.751 33.391 31.700 -0.100 0.000 0.913 227 S N 2.711 118.336 115.700 -0.125 0.000 2.248 227 S HA 0.036 4.504 4.470 -0.003 0.000 0.186 227 S C 1.256 175.790 174.600 -0.111 0.000 1.369 227 S CA 0.433 58.566 58.200 -0.111 0.000 2.325 227 S CB -1.660 61.492 63.200 -0.081 0.000 0.513 227 S HN 0.658 nan 8.310 nan 0.000 0.352 228 G N 0.739 109.481 108.800 -0.097 0.000 2.647 228 G HA2 0.278 4.236 3.960 -0.003 0.000 0.234 228 G HA3 0.278 4.236 3.960 -0.003 0.000 0.234 228 G C -0.290 174.522 174.900 -0.145 0.000 1.252 228 G CA -0.301 44.734 45.100 -0.109 0.000 0.846 228 G HN 0.733 nan 8.290 nan 0.000 0.589 229 Q N -0.228 119.483 119.800 -0.148 0.000 2.332 229 Q HA 0.420 4.758 4.340 -0.003 0.000 0.263 229 Q C 1.392 177.191 176.000 -0.336 0.000 0.979 229 Q CA 0.996 56.682 55.803 -0.195 0.000 0.885 229 Q CB 0.460 29.122 28.738 -0.127 0.000 1.218 229 Q HN 1.388 nan 8.270 nan 0.000 0.405 230 G N 2.218 110.627 108.800 -0.652 0.000 2.168 230 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.263 230 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.263 230 G C -0.244 174.130 174.900 -0.877 0.000 0.977 230 G CA 0.232 44.607 45.100 -1.210 0.000 0.659 230 G HN 0.560 nan 8.290 nan 0.000 0.533 231 V N 2.293 121.923 119.914 -0.474 0.000 2.348 231 V HA 0.539 4.657 4.120 -0.003 0.000 0.270 231 V C 1.004 177.080 176.094 -0.030 0.000 1.037 231 V CA -0.136 62.059 62.300 -0.175 0.000 0.872 231 V CB 1.231 32.992 31.823 -0.105 0.000 1.002 231 V HN 0.794 nan 8.190 nan 0.000 0.464 232 S N 4.971 120.756 115.700 0.141 0.000 2.549 232 S HA 0.231 4.700 4.470 -0.003 0.000 0.279 232 S C 1.063 175.722 174.600 0.097 0.000 1.321 232 S CA -0.440 57.901 58.200 0.235 0.000 1.054 232 S CB 1.145 64.512 63.200 0.279 0.000 0.899 232 S HN 0.735 nan 8.310 nan 0.000 0.497 233 R N 1.668 122.157 120.500 -0.018 0.000 2.073 233 R HA -0.014 4.325 4.340 -0.003 0.000 0.234 233 R C 0.109 176.496 176.300 0.145 0.000 1.134 233 R CA 1.270 57.376 56.100 0.010 0.000 0.952 233 R CB 0.090 30.299 30.300 -0.152 0.000 0.850 233 R HN 0.851 nan 8.270 nan 0.000 0.433 234 E N -0.665 119.670 120.200 0.225 0.000 2.340 234 E HA 0.287 4.635 4.350 -0.003 0.000 0.273 234 E C -1.372 175.431 176.600 0.338 0.000 0.891 234 E CA -0.877 55.717 56.400 0.322 0.000 0.757 234 E CB 2.565 32.505 29.700 0.400 0.000 1.231 234 E HN 0.032 nan 8.360 nan 0.000 0.439 235 R N 2.681 123.359 120.500 0.297 0.000 2.575 235 R HA 0.378 4.716 4.340 -0.003 0.000 0.293 235 R C -1.233 175.199 176.300 0.219 0.000 0.983 235 R CA -0.613 55.631 56.100 0.240 0.000 0.887 235 R CB 0.875 31.291 30.300 0.194 0.000 1.184 235 R HN 0.386 nan 8.270 nan 0.000 0.445 236 I N 4.516 125.120 120.570 0.058 0.000 2.304 236 I HA 0.212 4.380 4.170 -0.003 0.000 0.291 236 I C -0.500 175.513 176.117 -0.174 0.000 1.018 236 I CA -0.772 60.471 61.300 -0.095 0.000 1.260 236 I CB 0.368 38.048 38.000 -0.533 0.000 1.390 236 I HN 0.581 nan 8.210 nan 0.000 0.475 237 W N 5.528 126.717 121.300 -0.185 0.000 2.316 237 W HA 0.314 4.973 4.660 -0.003 0.000 0.311 237 W C 0.152 176.427 176.519 -0.406 0.000 1.217 237 W CA -0.028 57.211 57.345 -0.176 0.000 1.199 237 W CB 0.310 29.696 29.460 -0.123 0.000 1.202 237 W HN 0.382 nan 8.180 nan 0.000 0.528 238 H N 3.560 122.472 119.070 -0.263 0.000 2.551 238 H HA 0.501 5.055 4.556 -0.003 0.000 0.321 238 H C -0.503 174.626 175.328 -0.332 0.000 1.028 238 H CA -0.602 55.170 56.048 -0.460 0.000 1.215 238 H CB 0.636 30.102 29.762 -0.494 0.000 1.414 238 H HN 0.187 nan 8.280 nan 0.000 0.480 239 I N 2.676 123.058 120.570 -0.313 0.000 2.418 239 I HA 0.294 4.462 4.170 -0.003 0.000 0.287 239 I C -0.078 175.909 176.117 -0.217 0.000 1.008 239 I CA -0.876 60.336 61.300 -0.148 0.000 1.104 239 I CB 1.452 39.407 38.000 -0.076 0.000 1.264 239 I HN 0.291 nan 8.210 nan 0.000 0.438 240 R N 5.755 126.148 120.500 -0.179 0.000 2.230 240 R HA 0.645 4.983 4.340 -0.003 0.000 0.337 240 R C -0.771 175.485 176.300 -0.073 0.000 1.063 240 R CA -0.202 55.819 56.100 -0.131 0.000 0.935 240 R CB 0.639 30.726 30.300 -0.356 0.000 1.121 240 R HN 0.709 nan 8.270 nan 0.000 0.486 241 A N 4.078 126.897 122.820 -0.002 0.000 2.305 241 A HA 0.336 4.654 4.320 -0.003 0.000 0.322 241 A C 0.354 177.976 177.584 0.063 0.000 1.187 241 A CA -0.674 51.381 52.037 0.031 0.000 0.825 241 A CB 0.876 19.882 19.000 0.009 0.000 1.164 241 A HN 0.870 nan 8.150 nan 0.000 0.498 242 K N 0.367 120.819 120.400 0.087 0.000 2.026 242 K HA -0.064 4.254 4.320 -0.003 0.000 0.208 242 K C 0.044 176.701 176.600 0.095 0.000 1.048 242 K CA 1.135 57.482 56.287 0.100 0.000 0.929 242 K CB 0.001 32.573 32.500 0.121 0.000 0.713 242 K HN 0.695 nan 8.250 nan 0.000 0.439 243 Q N 0.217 120.072 119.800 0.092 0.000 2.359 243 Q HA 0.373 4.712 4.340 -0.003 0.000 0.274 243 Q C -1.256 174.801 176.000 0.095 0.000 1.074 243 Q CA -0.541 55.338 55.803 0.127 0.000 0.810 243 Q CB 2.711 31.540 28.738 0.151 0.000 1.342 243 Q HN -0.143 nan 8.270 nan 0.000 0.427 244 V N 1.687 121.675 119.914 0.124 0.000 2.540 244 V HA 0.467 4.586 4.120 -0.003 0.000 0.302 244 V C -0.315 175.855 176.094 0.126 0.000 1.035 244 V CA -0.805 61.539 62.300 0.073 0.000 0.873 244 V CB 2.123 33.961 31.823 0.026 0.000 0.992 244 V HN 0.515 nan 8.190 nan 0.000 0.428 245 V N 6.266 126.212 119.914 0.054 0.000 2.370 245 V HA 0.438 4.556 4.120 -0.003 0.000 0.279 245 V C -0.084 176.006 176.094 -0.007 0.000 1.029 245 V CA -0.445 61.881 62.300 0.043 0.000 0.870 245 V CB 1.424 33.236 31.823 -0.020 0.000 0.984 245 V HN 0.617 nan 8.190 nan 0.000 0.451 246 L N 4.465 125.684 121.223 -0.007 0.000 2.275 246 L HA 0.735 5.074 4.340 -0.003 0.000 0.288 246 L C 0.491 177.325 176.870 -0.060 0.000 1.046 246 L CA -0.249 54.561 54.840 -0.050 0.000 0.805 246 L CB 1.483 43.511 42.059 -0.051 0.000 1.193 246 L HN 0.754 nan 8.230 nan 0.000 0.426 247 A N 0.906 123.679 122.820 -0.078 0.000 3.234 247 A HA 0.268 4.586 4.320 -0.003 0.000 0.247 247 A C 0.684 178.215 177.584 -0.089 0.000 0.938 247 A CA -0.229 51.764 52.037 -0.074 0.000 1.039 247 A CB -0.091 18.873 19.000 -0.060 0.000 1.197 247 A HN 0.733 nan 8.150 nan 0.000 0.498 248 T N -2.509 111.977 114.554 -0.114 0.000 3.107 248 T HA 0.530 4.878 4.350 -0.003 0.000 0.249 248 T C 1.103 175.720 174.700 -0.139 0.000 1.096 248 T CA 1.151 63.161 62.100 -0.150 0.000 1.012 248 T CB -0.372 68.363 68.868 -0.221 0.000 0.977 248 T HN 2.220 nan 8.240 nan 0.000 0.527 249 A N 0.937 123.694 122.820 -0.104 0.000 6.225 249 A HA 0.314 4.632 4.320 -0.003 0.000 0.246 249 A C 0.265 177.799 177.584 -0.084 0.000 2.218 249 A CA -0.201 51.785 52.037 -0.086 0.000 0.703 249 A CB -1.534 17.428 19.000 -0.062 0.000 0.991 249 A HN 1.958 nan 8.150 nan 0.000 0.360 250 A N -1.071 121.731 122.820 -0.030 0.000 2.393 250 A HA 0.724 5.042 4.320 -0.003 0.000 0.306 250 A C -0.557 177.143 177.584 0.193 0.000 1.050 250 A CA 0.055 52.131 52.037 0.065 0.000 0.724 250 A CB 0.801 19.886 19.000 0.142 0.000 1.248 250 A HN 1.193 nan 8.150 nan 0.000 0.424 251 H N 0.774 120.009 119.070 0.274 0.000 2.548 251 H HA 0.275 4.830 4.556 -0.003 0.000 0.331 251 H C 0.189 175.675 175.328 0.262 0.000 1.093 251 H CA -0.276 55.927 56.048 0.260 0.000 1.367 251 H CB 1.139 31.044 29.762 0.237 0.000 1.455 251 H HN 0.835 nan 8.280 nan 0.000 0.519 252 E N 2.469 122.856 120.200 0.312 0.000 2.436 252 E HA -0.024 4.324 4.350 -0.003 0.000 0.262 252 E C -0.152 176.438 176.600 -0.017 0.000 1.063 252 E CA -0.288 56.055 56.400 -0.095 0.000 0.944 252 E CB 0.624 30.258 29.700 -0.109 0.000 0.950 252 E HN 0.593 nan 8.360 nan 0.000 0.444 253 R N 3.366 123.788 120.500 -0.131 0.000 2.740 253 R HA 0.570 4.908 4.340 -0.003 0.000 0.282 253 R C -2.716 173.617 176.300 0.054 0.000 0.969 253 R CA -2.033 54.097 56.100 0.050 0.000 0.918 253 R CB 1.700 32.079 30.300 0.132 0.000 1.175 253 R HN 0.263 nan 8.270 nan 0.000 0.464 254 P HA 0.244 nan 4.420 nan 0.000 0.279 254 P C -0.523 176.899 177.300 0.203 0.000 1.282 254 P CA -0.478 62.762 63.100 0.234 0.000 0.788 254 P CB 0.889 32.808 31.700 0.363 0.000 1.139 255 I N -0.392 120.334 120.570 0.260 0.000 2.474 255 I HA 0.216 4.385 4.170 -0.003 0.000 0.294 255 I C -0.104 176.208 176.117 0.324 0.000 1.005 255 I CA -1.290 60.188 61.300 0.296 0.000 1.113 255 I CB 2.127 40.333 38.000 0.343 0.000 1.289 255 I HN -0.051 nan 8.210 nan 0.000 0.436 256 V N 7.346 127.437 119.914 0.295 0.000 2.356 256 V HA 0.274 4.392 4.120 -0.003 0.000 0.258 256 V C -0.345 175.957 176.094 0.346 0.000 1.065 256 V CA -0.018 62.431 62.300 0.250 0.000 0.935 256 V CB -0.729 31.265 31.823 0.285 0.000 1.061 256 V HN 0.557 nan 8.190 nan 0.000 0.484 257 F N 1.259 121.245 119.950 0.061 0.000 2.685 257 F HA 0.667 5.192 4.527 -0.003 0.000 0.315 257 F C -0.259 175.211 175.800 -0.550 0.000 1.126 257 F CA -1.700 56.190 58.000 -0.182 0.000 0.950 257 F CB 1.403 40.380 39.000 -0.039 0.000 1.360 257 F HN 0.286 nan 8.300 nan 0.000 0.469 258 E N 1.507 121.365 120.200 -0.570 0.000 2.417 258 E HA 0.087 4.435 4.350 -0.003 0.000 0.261 258 E C -0.330 176.271 176.600 0.002 0.000 1.000 258 E CA 0.418 56.600 56.400 -0.364 0.000 0.919 258 E CB -0.017 29.642 29.700 -0.068 0.000 0.955 258 E HN 0.690 nan 8.360 nan 0.000 0.455 259 N N 3.259 121.994 118.700 0.057 0.000 2.738 259 N HA -0.214 4.524 4.740 -0.003 0.000 0.249 259 N C -0.539 174.961 175.510 -0.016 0.000 1.047 259 N CA 1.005 54.114 53.050 0.098 0.000 0.707 259 N CB -1.404 37.125 38.487 0.070 0.000 0.937 259 N HN 0.627 nan 8.380 nan 0.000 0.545 260 N N -0.068 118.459 118.700 -0.288 0.000 2.313 260 N HA -0.031 4.707 4.740 -0.003 0.000 0.207 260 N C 0.403 175.801 175.510 -0.187 0.000 1.141 260 N CA 0.171 52.832 53.050 -0.649 0.000 0.830 260 N CB 0.170 37.802 38.487 -1.425 0.000 1.008 260 N HN 0.392 nan 8.380 nan 0.000 0.481 261 D N -0.620 119.720 120.400 -0.099 0.000 2.433 261 D HA 0.026 4.665 4.640 -0.003 0.000 0.211 261 D C -0.003 176.219 176.300 -0.130 0.000 1.114 261 D CA -0.340 53.529 54.000 -0.219 0.000 0.837 261 D CB 0.139 40.575 40.800 -0.607 0.000 0.984 261 D HN 0.049 nan 8.370 nan 0.000 0.505 262 R N 1.436 121.918 120.500 -0.031 0.000 2.543 262 R HA 0.277 4.615 4.340 -0.003 0.000 0.277 262 R C -2.364 173.948 176.300 0.020 0.000 1.074 262 R CA -1.478 54.615 56.100 -0.012 0.000 1.076 262 R CB -0.218 30.092 30.300 0.017 0.000 0.993 262 R HN 0.002 nan 8.270 nan 0.000 0.459 263 P HA -0.115 nan 4.420 nan 0.000 0.260 263 P C 0.654 177.969 177.300 0.025 0.000 1.172 263 P CA 1.210 64.317 63.100 0.011 0.000 0.760 263 P CB 0.424 32.115 31.700 -0.014 0.000 0.773 264 G N 3.014 111.835 108.800 0.036 0.000 2.259 264 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.217 264 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.217 264 G C 0.117 175.047 174.900 0.050 0.000 1.001 264 G CA -0.476 44.641 45.100 0.028 0.000 0.627 264 G HN 0.492 nan 8.290 nan 0.000 0.501 265 I N 2.362 122.989 120.570 0.096 0.000 2.396 265 I HA 0.541 4.710 4.170 -0.003 0.000 0.289 265 I C 0.589 176.750 176.117 0.073 0.000 1.056 265 I CA 0.423 61.801 61.300 0.130 0.000 1.365 265 I CB 0.767 38.898 38.000 0.219 0.000 1.407 265 I HN 0.159 nan 8.210 nan 0.000 0.509 266 M N 6.300 125.823 119.600 -0.127 0.000 2.575 266 M HA 0.441 4.920 4.480 -0.003 0.000 0.284 266 M C -0.856 175.133 176.300 -0.519 0.000 1.253 266 M CA -0.861 54.175 55.300 -0.440 0.000 0.861 266 M CB 2.520 35.020 32.600 -0.167 0.000 1.733 266 M HN 0.270 nan 8.290 nan 0.000 0.462 267 L N 1.444 122.213 121.223 -0.758 0.000 2.540 267 L HA 0.069 4.407 4.340 -0.003 0.000 0.276 267 L C 1.364 178.124 176.870 -0.182 0.000 1.212 267 L CA -0.101 54.500 54.840 -0.398 0.000 0.893 267 L CB 0.400 42.268 42.059 -0.317 0.000 1.138 267 L HN 1.030 nan 8.230 nan 0.000 0.491 268 A N 3.499 126.250 122.820 -0.116 0.000 1.930 268 A HA -0.076 4.242 4.320 -0.003 0.000 0.217 268 A C 2.149 179.725 177.584 -0.014 0.000 1.175 268 A CA 1.521 53.523 52.037 -0.059 0.000 0.627 268 A CB -0.860 18.103 19.000 -0.061 0.000 0.815 268 A HN 0.962 nan 8.150 nan 0.000 0.443 269 G N -0.821 107.992 108.800 0.023 0.000 2.470 269 G HA2 -0.086 3.872 3.960 -0.003 0.000 0.220 269 G HA3 -0.086 3.872 3.960 -0.003 0.000 0.220 269 G C 1.665 176.568 174.900 0.006 0.000 1.121 269 G CA 1.255 46.388 45.100 0.055 0.000 0.766 269 G HN 0.490 nan 8.290 nan 0.000 0.553 270 S N -0.163 115.523 115.700 -0.022 0.000 2.395 270 S HA -0.049 4.420 4.470 -0.003 0.000 0.225 270 S C 2.489 177.103 174.600 0.023 0.000 1.027 270 S CA 0.798 58.962 58.200 -0.059 0.000 0.965 270 S CB -0.050 63.129 63.200 -0.034 0.000 0.812 270 S HN 0.197 nan 8.310 nan 0.000 0.482 271 V N 2.050 122.015 119.914 0.085 0.000 2.332 271 V HA -0.180 3.938 4.120 -0.003 0.000 0.248 271 V C 2.519 178.682 176.094 0.115 0.000 1.055 271 V CA 1.757 64.146 62.300 0.149 0.000 1.038 271 V CB -0.591 31.269 31.823 0.063 0.000 0.651 271 V HN 0.377 nan 8.190 nan 0.000 0.450 272 R N -0.240 120.288 120.500 0.047 0.000 2.075 272 R HA -0.157 4.181 4.340 -0.003 0.000 0.232 272 R C 2.701 179.010 176.300 0.015 0.000 1.126 272 R CA 1.647 57.765 56.100 0.031 0.000 0.963 272 R CB -0.432 29.876 30.300 0.012 0.000 0.858 272 R HN 0.500 nan 8.270 nan 0.000 0.435 273 S N -0.300 115.376 115.700 -0.040 0.000 2.359 273 S HA -0.209 4.259 4.470 -0.003 0.000 0.223 273 S C 1.812 176.395 174.600 -0.028 0.000 1.039 273 S CA 1.481 59.617 58.200 -0.106 0.000 1.042 273 S CB -0.409 62.671 63.200 -0.201 0.000 0.915 273 S HN 0.435 nan 8.310 nan 0.000 0.439 274 Y N 1.174 121.612 120.300 0.229 0.000 2.151 274 Y HA -0.095 4.453 4.550 -0.003 0.000 0.284 274 Y C 2.288 178.306 175.900 0.196 0.000 1.166 274 Y CA 1.201 59.474 58.100 0.289 0.000 1.163 274 Y CB -0.997 37.551 38.460 0.147 0.000 0.974 274 Y HN 0.288 nan 8.280 nan 0.000 0.511 275 L N 0.299 121.660 121.223 0.230 0.000 1.976 275 L HA -0.230 4.108 4.340 -0.003 0.000 0.209 275 L C 1.867 178.792 176.870 0.091 0.000 1.071 275 L CA 2.041 56.967 54.840 0.142 0.000 0.746 275 L CB -0.704 41.409 42.059 0.089 0.000 0.890 275 L HN 0.153 nan 8.230 nan 0.000 0.432 276 N N -1.210 117.511 118.700 0.035 0.000 2.402 276 N HA -0.046 4.692 4.740 -0.003 0.000 0.174 276 N C 1.917 177.379 175.510 -0.079 0.000 1.027 276 N CA 0.764 53.805 53.050 -0.015 0.000 0.891 276 N CB -0.102 38.367 38.487 -0.030 0.000 1.016 276 N HN 0.345 nan 8.380 nan 0.000 0.439 277 R N -0.589 119.818 120.500 -0.155 0.000 2.140 277 R HA 0.126 4.465 4.340 -0.003 0.000 0.213 277 R C 0.555 176.558 176.300 -0.496 0.000 1.059 277 R CA 0.862 56.711 56.100 -0.417 0.000 1.000 277 R CB 0.129 30.033 30.300 -0.659 0.000 0.910 277 R HN 0.036 nan 8.270 nan 0.000 0.455 278 F N -1.027 118.967 119.950 0.073 0.000 2.728 278 F HA 0.391 4.917 4.527 -0.003 0.000 0.314 278 F C 1.150 177.022 175.800 0.121 0.000 1.094 278 F CA 0.282 58.356 58.000 0.124 0.000 1.217 278 F CB 1.228 40.359 39.000 0.218 0.000 1.056 278 F HN 0.176 nan 8.300 nan 0.000 0.577 279 G N 1.602 110.533 108.800 0.217 0.000 2.225 279 G HA2 -0.244 3.715 3.960 -0.003 0.000 0.267 279 G HA3 -0.244 3.715 3.960 -0.003 0.000 0.267 279 G C -0.257 174.748 174.900 0.174 0.000 1.024 279 G CA 0.316 45.510 45.100 0.155 0.000 0.784 279 G HN 0.190 nan 8.290 nan 0.000 0.507 280 V N 0.312 120.360 119.914 0.223 0.000 2.417 280 V HA 0.509 4.627 4.120 -0.003 0.000 0.291 280 V C 0.791 176.971 176.094 0.143 0.000 1.024 280 V CA -0.934 61.468 62.300 0.170 0.000 0.861 280 V CB 1.758 33.684 31.823 0.172 0.000 0.985 280 V HN 0.397 nan 8.190 nan 0.000 0.436 281 R N 3.047 123.596 120.500 0.083 0.000 2.221 281 R HA 0.499 4.837 4.340 -0.003 0.000 0.327 281 R C 1.048 177.366 176.300 0.031 0.000 1.033 281 R CA 0.100 56.238 56.100 0.063 0.000 0.887 281 R CB 1.380 31.707 30.300 0.045 0.000 1.057 281 R HN 0.886 nan 8.270 nan 0.000 0.455 282 A N 3.177 126.016 122.820 0.033 0.000 2.168 282 A HA 0.165 4.483 4.320 -0.003 0.000 0.215 282 A C 0.757 178.330 177.584 -0.019 0.000 1.152 282 A CA 1.209 53.236 52.037 -0.016 0.000 0.716 282 A CB 0.146 19.149 19.000 0.005 0.000 0.794 282 A HN 0.803 nan 8.150 nan 0.000 0.465 283 G N -3.329 105.471 108.800 0.001 0.000 2.451 283 G HA2 0.396 4.354 3.960 -0.003 0.000 0.292 283 G HA3 0.396 4.354 3.960 -0.003 0.000 0.292 283 G C 0.007 174.912 174.900 0.009 0.000 1.427 283 G CA 0.397 45.498 45.100 0.000 0.000 0.792 283 G HN -0.015 nan 8.290 nan 0.000 0.498 284 S N -0.862 114.844 115.700 0.010 0.000 2.524 284 S HA 0.237 4.705 4.470 -0.003 0.000 0.215 284 S C 0.628 175.238 174.600 0.017 0.000 0.986 284 S CA 0.381 58.590 58.200 0.014 0.000 0.911 284 S CB 0.021 63.228 63.200 0.012 0.000 0.805 284 S HN 0.368 nan 8.310 nan 0.000 0.501 285 K N 1.712 122.122 120.400 0.017 0.000 2.752 285 K HA 0.387 4.705 4.320 -0.003 0.000 0.199 285 K C -1.401 175.211 176.600 0.020 0.000 1.069 285 K CA -0.025 56.276 56.287 0.023 0.000 1.033 285 K CB 1.097 33.615 32.500 0.030 0.000 1.229 285 K HN 0.164 nan 8.250 nan 0.000 0.572 286 I N 2.313 122.890 120.570 0.011 0.000 2.304 286 I HA 0.275 4.443 4.170 -0.003 0.000 0.291 286 I C 0.330 176.438 176.117 -0.015 0.000 1.018 286 I CA -0.478 60.822 61.300 0.001 0.000 1.260 286 I CB 1.421 39.421 38.000 -0.001 0.000 1.390 286 I HN 0.436 nan 8.210 nan 0.000 0.475 287 A N 6.674 129.479 122.820 -0.025 0.000 2.295 287 A HA 0.795 5.113 4.320 -0.003 0.000 0.318 287 A C -0.483 177.052 177.584 -0.081 0.000 1.134 287 A CA -0.452 51.544 52.037 -0.068 0.000 0.827 287 A CB 1.135 20.090 19.000 -0.075 0.000 1.136 287 A HN 0.465 nan 8.150 nan 0.000 0.493 288 V N 0.646 120.488 119.914 -0.120 0.000 2.540 288 V HA 0.699 4.817 4.120 -0.003 0.000 0.302 288 V C 0.172 176.175 176.094 -0.152 0.000 1.035 288 V CA -0.242 61.980 62.300 -0.129 0.000 0.873 288 V CB 1.487 33.216 31.823 -0.157 0.000 0.992 288 V HN 1.245 nan 8.190 nan 0.000 0.428 289 A N 2.935 125.675 122.820 -0.133 0.000 2.319 289 A HA 0.854 5.173 4.320 -0.003 0.000 0.310 289 A C -0.360 177.154 177.584 -0.117 0.000 1.152 289 A CA -0.487 51.466 52.037 -0.140 0.000 0.783 289 A CB 1.740 20.648 19.000 -0.152 0.000 1.184 289 A HN 0.753 nan 8.150 nan 0.000 0.474 290 T N 0.180 114.667 114.554 -0.113 0.000 2.900 290 T HA 0.563 4.911 4.350 -0.003 0.000 0.303 290 T C 0.782 175.447 174.700 -0.058 0.000 1.142 290 T CA 0.421 62.467 62.100 -0.090 0.000 1.007 290 T CB 1.483 70.277 68.868 -0.123 0.000 1.156 290 T HN 1.074 nan 8.240 nan 0.000 0.490 291 T N 0.360 114.887 114.554 -0.046 0.000 3.054 291 T HA 0.335 4.683 4.350 -0.003 0.000 0.255 291 T C 0.414 175.125 174.700 0.019 0.000 1.035 291 T CA -0.367 61.709 62.100 -0.039 0.000 0.941 291 T CB -0.384 68.431 68.868 -0.088 0.000 1.026 291 T HN 0.743 nan 8.240 nan 0.000 0.533 292 N N -0.426 118.310 118.700 0.060 0.000 3.106 292 N HA 0.152 4.890 4.740 -0.003 0.000 0.253 292 N C -1.184 174.431 175.510 0.175 0.000 1.506 292 N CA -0.532 52.591 53.050 0.121 0.000 0.876 292 N CB 0.775 39.357 38.487 0.158 0.000 1.452 292 N HN -0.237 nan 8.380 nan 0.000 0.542 293 D N 0.117 120.636 120.400 0.199 0.000 2.363 293 D HA -0.052 4.587 4.640 -0.003 0.000 0.220 293 D C 1.674 178.115 176.300 0.234 0.000 0.994 293 D CA 0.859 55.034 54.000 0.293 0.000 0.890 293 D CB -0.116 40.792 40.800 0.180 0.000 0.906 293 D HN 0.604 nan 8.370 nan 0.000 0.530 294 S N 0.110 115.913 115.700 0.171 0.000 2.419 294 S HA -0.149 4.319 4.470 -0.003 0.000 0.233 294 S C 2.098 176.738 174.600 0.066 0.000 1.016 294 S CA 1.101 59.385 58.200 0.140 0.000 0.974 294 S CB -0.622 62.775 63.200 0.329 0.000 0.786 294 S HN 0.227 nan 8.310 nan 0.000 0.492 295 V N -2.363 117.518 119.914 -0.056 0.000 3.217 295 V HA 0.139 4.257 4.120 -0.003 0.000 0.264 295 V C 1.901 177.844 176.094 -0.252 0.000 1.135 295 V CA 0.549 62.737 62.300 -0.186 0.000 1.142 295 V CB -1.588 30.042 31.823 -0.322 0.000 0.754 295 V HN 0.390 nan 8.190 nan 0.000 0.484 296 Y N 1.177 121.484 120.300 0.012 0.000 2.314 296 Y HA 0.113 4.661 4.550 -0.003 0.000 0.293 296 Y C 0.291 176.190 175.900 -0.003 0.000 1.129 296 Y CA 1.394 59.494 58.100 -0.000 0.000 1.201 296 Y CB -1.942 36.514 38.460 -0.006 0.000 0.999 296 Y HN 0.390 nan 8.280 nan 0.000 0.541 297 P HA -0.187 nan 4.420 nan 0.000 0.215 297 P C 1.809 179.125 177.300 0.027 0.000 1.157 297 P CA 1.146 64.276 63.100 0.051 0.000 0.863 297 P CB -0.041 31.676 31.700 0.028 0.000 0.787 298 L N -0.321 120.906 121.223 0.005 0.000 2.013 298 L HA -0.164 4.174 4.340 -0.003 0.000 0.212 298 L C 2.116 178.983 176.870 -0.005 0.000 1.073 298 L CA 1.960 56.797 54.840 -0.005 0.000 0.753 298 L CB -1.277 40.770 42.059 -0.021 0.000 0.890 298 L HN -0.184 nan 8.230 nan 0.000 0.432 299 V N -0.805 119.097 119.914 -0.019 0.000 2.332 299 V HA -0.314 3.804 4.120 -0.003 0.000 0.248 299 V C 2.806 178.918 176.094 0.030 0.000 1.055 299 V CA 1.995 64.294 62.300 -0.002 0.000 1.038 299 V CB -0.946 30.882 31.823 0.010 0.000 0.651 299 V HN 0.707 nan 8.190 nan 0.000 0.450 300 S N -0.459 115.269 115.700 0.048 0.000 2.368 300 S HA -0.220 4.248 4.470 -0.003 0.000 0.224 300 S C 1.905 176.520 174.600 0.026 0.000 1.029 300 S CA 1.777 60.002 58.200 0.041 0.000 0.988 300 S CB -0.290 62.938 63.200 0.047 0.000 0.838 300 S HN 0.731 nan 8.310 nan 0.000 0.462 301 E N 0.530 120.743 120.200 0.022 0.000 2.204 301 E HA -0.032 4.316 4.350 -0.003 0.000 0.195 301 E C 1.825 178.436 176.600 0.020 0.000 0.990 301 E CA 0.986 57.396 56.400 0.018 0.000 0.821 301 E CB -0.179 29.530 29.700 0.016 0.000 0.750 301 E HN 0.503 nan 8.360 nan 0.000 0.477 302 L N 0.155 121.390 121.223 0.019 0.000 2.492 302 L HA 0.033 4.371 4.340 -0.003 0.000 0.223 302 L C 2.362 179.243 176.870 0.019 0.000 1.132 302 L CA 0.123 54.975 54.840 0.020 0.000 0.850 302 L CB -0.233 41.836 42.059 0.015 0.000 0.966 302 L HN 0.147 nan 8.230 nan 0.000 0.454 303 A N 0.699 123.531 122.820 0.020 0.000 1.892 303 A HA -0.268 4.050 4.320 -0.003 0.000 0.218 303 A C 2.548 180.142 177.584 0.017 0.000 1.188 303 A CA 1.972 54.020 52.037 0.019 0.000 0.631 303 A CB -0.655 18.357 19.000 0.019 0.000 0.822 303 A HN 0.395 nan 8.150 nan 0.000 0.447 304 A N -0.092 122.738 122.820 0.017 0.000 1.972 304 A HA -0.038 4.280 4.320 -0.003 0.000 0.219 304 A C 2.166 179.760 177.584 0.017 0.000 1.169 304 A CA 2.102 54.148 52.037 0.016 0.000 0.635 304 A CB -0.692 18.317 19.000 0.014 0.000 0.810 304 A HN 1.128 nan 8.150 nan 0.000 0.446 305 S N -2.664 113.048 115.700 0.019 0.000 2.582 305 S HA 0.478 4.946 4.470 -0.003 0.000 0.234 305 S C 0.975 175.587 174.600 0.020 0.000 0.961 305 S CA 0.750 58.962 58.200 0.021 0.000 0.953 305 S CB 0.055 63.270 63.200 0.025 0.000 0.800 305 S HN 1.740 nan 8.310 nan 0.000 0.471 306 G N -0.382 108.429 108.800 0.019 0.000 2.227 306 G HA2 0.325 4.283 3.960 -0.003 0.000 0.168 306 G HA3 0.325 4.283 3.960 -0.003 0.000 0.168 306 G C 0.865 175.776 174.900 0.019 0.000 1.006 306 G CA 0.043 45.154 45.100 0.019 0.000 0.684 306 G HN 1.688 nan 8.290 nan 0.000 0.489 307 G N -1.431 107.380 108.800 0.018 0.000 2.562 307 G HA2 0.270 4.229 3.960 -0.003 0.000 0.250 307 G HA3 0.270 4.229 3.960 -0.003 0.000 0.250 307 G C 0.495 175.403 174.900 0.013 0.000 1.269 307 G CA 1.440 46.550 45.100 0.017 0.000 0.919 307 G HN 2.094 nan 8.290 nan 0.000 0.574 308 V N -3.120 116.800 119.914 0.010 0.000 3.001 308 V HA 0.781 4.900 4.120 -0.003 0.000 0.314 308 V C 1.311 177.407 176.094 0.004 0.000 1.099 308 V CA 0.101 62.400 62.300 -0.001 0.000 0.989 308 V CB 1.272 33.083 31.823 -0.021 0.000 1.040 308 V HN 1.378 nan 8.190 nan 0.000 0.434 309 V N 1.383 121.298 119.914 0.001 0.000 2.307 309 V HA 0.336 4.455 4.120 -0.003 0.000 0.245 309 V C 1.130 177.212 176.094 -0.021 0.000 1.045 309 V CA 2.331 64.645 62.300 0.025 0.000 1.024 309 V CB -0.445 31.404 31.823 0.043 0.000 0.651 309 V HN 1.607 nan 8.190 nan 0.000 0.449 310 A N -1.760 120.997 122.820 -0.105 0.000 2.569 310 A HA 0.588 4.907 4.320 -0.003 0.000 0.292 310 A C -1.474 176.005 177.584 -0.175 0.000 1.032 310 A CA -0.442 51.492 52.037 -0.172 0.000 0.669 310 A CB 1.078 19.831 19.000 -0.411 0.000 1.290 310 A HN -0.019 nan 8.150 nan 0.000 0.422 311 V N 2.448 122.282 119.914 -0.134 0.000 2.370 311 V HA 0.440 4.558 4.120 -0.003 0.000 0.283 311 V C -0.518 175.496 176.094 -0.134 0.000 1.023 311 V CA -0.497 61.728 62.300 -0.126 0.000 0.857 311 V CB 1.361 33.155 31.823 -0.049 0.000 0.985 311 V HN 0.621 nan 8.190 nan 0.000 0.443 312 I N 4.134 124.605 120.570 -0.166 0.000 2.307 312 I HA 0.368 4.536 4.170 -0.003 0.000 0.287 312 I C -0.109 175.947 176.117 -0.103 0.000 1.054 312 I CA -0.108 61.095 61.300 -0.162 0.000 1.218 312 I CB 0.992 38.865 38.000 -0.211 0.000 1.398 312 I HN 0.575 nan 8.210 nan 0.000 0.475 313 D N 5.049 125.419 120.400 -0.049 0.000 2.303 313 D HA 0.417 5.055 4.640 -0.003 0.000 0.236 313 D C 0.845 177.132 176.300 -0.022 0.000 1.068 313 D CA -0.336 53.660 54.000 -0.006 0.000 0.830 313 D CB 2.290 43.139 40.800 0.081 0.000 1.109 313 D HN 0.565 nan 8.370 nan 0.000 0.496 314 A N 4.911 127.710 122.820 -0.036 0.000 2.067 314 A HA -0.080 4.238 4.320 -0.003 0.000 0.219 314 A C 1.192 178.760 177.584 -0.026 0.000 1.158 314 A CA 0.696 52.707 52.037 -0.043 0.000 0.661 314 A CB -0.040 18.920 19.000 -0.066 0.000 0.801 314 A HN 0.551 nan 8.150 nan 0.000 0.452 315 R N 0.109 120.604 120.500 -0.009 0.000 2.543 315 R HA 0.168 4.506 4.340 -0.003 0.000 0.277 315 R C 0.783 177.083 176.300 0.000 0.000 1.074 315 R CA -0.408 55.692 56.100 -0.001 0.000 1.076 315 R CB 0.402 30.712 30.300 0.017 0.000 0.993 315 R HN 0.346 nan 8.270 nan 0.000 0.459 316 Q N 1.396 121.196 119.800 -0.000 0.000 2.119 316 Q HA -0.074 4.264 4.340 -0.003 0.000 0.201 316 Q C -0.077 175.923 176.000 0.000 0.000 0.972 316 Q CA 1.481 57.284 55.803 0.000 0.000 0.847 316 Q CB -0.071 28.668 28.738 0.002 0.000 0.903 316 Q HN 0.563 nan 8.270 nan 0.000 0.433 317 N N -0.671 118.029 118.700 -0.001 0.000 2.381 317 N HA 0.420 5.158 4.740 -0.003 0.000 0.294 317 N C -0.854 174.649 175.510 -0.013 0.000 1.216 317 N CA -0.616 52.431 53.050 -0.006 0.000 0.803 317 N CB 1.901 40.384 38.487 -0.007 0.000 1.372 317 N HN -0.086 nan 8.380 nan 0.000 0.500 318 I N 1.549 122.103 120.570 -0.026 0.000 2.452 318 I HA 0.048 4.216 4.170 -0.003 0.000 0.287 318 I C 0.808 176.887 176.117 -0.062 0.000 1.079 318 I CA -0.041 61.229 61.300 -0.051 0.000 1.387 318 I CB 0.315 38.279 38.000 -0.059 0.000 1.404 318 I HN 0.580 nan 8.210 nan 0.000 0.522 319 S N 5.195 120.846 115.700 -0.082 0.000 2.645 319 S HA 0.417 4.885 4.470 -0.003 0.000 0.266 319 S C 1.240 175.768 174.600 -0.121 0.000 1.258 319 S CA -0.195 57.956 58.200 -0.081 0.000 0.990 319 S CB 1.579 64.743 63.200 -0.060 0.000 0.967 319 S HN 0.693 nan 8.310 nan 0.000 0.556 320 A N 1.325 124.089 122.820 -0.094 0.000 1.902 320 A HA 0.132 4.451 4.320 -0.003 0.000 0.217 320 A C 2.419 179.916 177.584 -0.145 0.000 1.181 320 A CA 1.912 53.890 52.037 -0.098 0.000 0.623 320 A CB -1.762 17.198 19.000 -0.067 0.000 0.818 320 A HN 1.363 nan 8.150 nan 0.000 0.443 321 A N -0.156 122.567 122.820 -0.161 0.000 1.902 321 A HA 0.151 4.469 4.320 -0.003 0.000 0.217 321 A C 2.491 179.749 177.584 -0.543 0.000 1.181 321 A CA 2.097 53.999 52.037 -0.225 0.000 0.623 321 A CB -1.026 17.915 19.000 -0.098 0.000 0.818 321 A HN 1.126 nan 8.150 nan 0.000 0.443 322 A N -0.250 122.108 122.820 -0.770 0.000 2.019 322 A HA 0.176 4.494 4.320 -0.003 0.000 0.219 322 A C 2.398 179.697 177.584 -0.475 0.000 1.164 322 A CA 1.866 53.244 52.037 -1.097 0.000 0.644 322 A CB -0.829 17.770 19.000 -0.668 0.000 0.805 322 A HN 1.061 nan 8.150 nan 0.000 0.449 323 A N -0.998 121.651 122.820 -0.286 0.000 2.019 323 A HA -0.141 4.178 4.320 -0.003 0.000 0.219 323 A C 2.055 179.564 177.584 -0.124 0.000 1.164 323 A CA 1.586 53.530 52.037 -0.156 0.000 0.644 323 A CB -0.331 18.601 19.000 -0.113 0.000 0.805 323 A HN 0.486 nan 8.150 nan 0.000 0.449 324 Q N -0.219 119.495 119.800 -0.144 0.000 2.119 324 Q HA -0.026 4.312 4.340 -0.003 0.000 0.201 324 Q C 2.372 178.340 176.000 -0.054 0.000 0.972 324 Q CA 1.562 57.315 55.803 -0.084 0.000 0.847 324 Q CB -1.025 27.672 28.738 -0.069 0.000 0.903 324 Q HN 0.634 nan 8.270 nan 0.000 0.433 325 A N 0.662 123.442 122.820 -0.068 0.000 1.883 325 A HA -0.146 4.172 4.320 -0.003 0.000 0.217 325 A C 2.466 180.053 177.584 0.004 0.000 1.186 325 A CA 1.749 53.798 52.037 0.019 0.000 0.624 325 A CB -0.842 18.239 19.000 0.136 0.000 0.822 325 A HN 0.202 nan 8.150 nan 0.000 0.444 326 V N 0.769 120.663 119.914 -0.033 0.000 2.332 326 V HA -0.278 3.840 4.120 -0.003 0.000 0.248 326 V C 2.911 178.997 176.094 -0.014 0.000 1.055 326 V CA 2.543 64.831 62.300 -0.020 0.000 1.038 326 V CB -1.560 30.241 31.823 -0.037 0.000 0.651 326 V HN 0.830 nan 8.190 nan 0.000 0.450 327 T N -2.422 112.118 114.554 -0.023 0.000 2.995 327 T HA -0.131 4.217 4.350 -0.003 0.000 0.269 327 T C 1.298 175.995 174.700 -0.006 0.000 1.091 327 T CA 1.211 63.302 62.100 -0.016 0.000 1.128 327 T CB -0.360 68.496 68.868 -0.021 0.000 0.891 327 T HN 0.407 nan 8.240 nan 0.000 0.492 328 D N 1.463 121.863 120.400 -0.000 0.000 2.363 328 D HA 0.230 4.868 4.640 -0.003 0.000 0.226 328 D C 1.674 177.982 176.300 0.013 0.000 1.020 328 D CA 0.872 54.877 54.000 0.009 0.000 0.892 328 D CB -0.328 40.482 40.800 0.017 0.000 0.900 328 D HN 0.642 nan 8.370 nan 0.000 0.531 329 G N -0.060 108.747 108.800 0.013 0.000 2.131 329 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.223 329 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.223 329 G C 0.318 175.232 174.900 0.023 0.000 0.990 329 G CA 0.090 45.199 45.100 0.016 0.000 0.671 329 G HN 0.268 nan 8.290 nan 0.000 0.521 330 V N 1.116 121.047 119.914 0.029 0.000 2.732 330 V HA 0.499 4.618 4.120 -0.003 0.000 0.297 330 V C 1.122 177.236 176.094 0.032 0.000 1.060 330 V CA 0.370 62.692 62.300 0.036 0.000 1.038 330 V CB 1.550 33.408 31.823 0.058 0.000 1.003 330 V HN 0.313 nan 8.190 nan 0.000 0.481 331 T N 4.107 118.677 114.554 0.027 0.000 2.727 331 T HA 0.375 4.723 4.350 -0.003 0.000 0.295 331 T C -0.246 174.455 174.700 0.002 0.000 0.915 331 T CA -0.110 62.003 62.100 0.021 0.000 1.066 331 T CB 0.474 69.359 68.868 0.030 0.000 0.891 331 T HN 0.376 nan 8.240 nan 0.000 0.516 332 V N 5.460 125.383 119.914 0.015 0.000 2.417 332 V HA 0.389 4.507 4.120 -0.003 0.000 0.291 332 V C -0.574 175.519 176.094 -0.002 0.000 1.024 332 V CA -0.969 61.343 62.300 0.021 0.000 0.861 332 V CB 1.525 33.384 31.823 0.061 0.000 0.985 332 V HN 0.580 nan 8.190 nan 0.000 0.436 333 L N 5.423 126.626 121.223 -0.034 0.000 2.276 333 L HA 0.536 4.874 4.340 -0.003 0.000 0.286 333 L C 0.747 177.605 176.870 -0.020 0.000 1.024 333 L CA 0.183 55.005 54.840 -0.030 0.000 0.826 333 L CB 1.493 43.510 42.059 -0.069 0.000 1.211 333 L HN 0.883 nan 8.230 nan 0.000 0.422 334 T N -1.189 113.363 114.554 -0.003 0.000 2.847 334 T HA 0.562 4.910 4.350 -0.003 0.000 0.279 334 T C 1.080 175.776 174.700 -0.006 0.000 0.984 334 T CA -0.097 62.002 62.100 -0.001 0.000 0.988 334 T CB 1.379 70.249 68.868 0.002 0.000 1.040 334 T HN 0.987 nan 8.240 nan 0.000 0.528 335 G N 0.610 109.406 108.800 -0.007 0.000 2.187 335 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.261 335 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.261 335 G C 0.130 175.020 174.900 -0.016 0.000 1.000 335 G CA 0.321 45.415 45.100 -0.009 0.000 0.718 335 G HN 1.056 nan 8.290 nan 0.000 0.519 336 S N -1.635 114.048 115.700 -0.029 0.000 2.599 336 S HA 0.851 5.319 4.470 -0.003 0.000 0.287 336 S C -0.088 174.469 174.600 -0.071 0.000 1.105 336 S CA -0.170 58.006 58.200 -0.040 0.000 0.899 336 S CB 2.961 66.137 63.200 -0.040 0.000 1.100 336 S HN 1.551 nan 8.310 nan 0.000 0.482 337 V N -1.258 118.606 119.914 -0.084 0.000 3.007 337 V HA 0.735 4.853 4.120 -0.003 0.000 0.311 337 V C -0.618 175.358 176.094 -0.197 0.000 1.120 337 V CA -1.002 61.213 62.300 -0.141 0.000 0.980 337 V CB 1.380 33.138 31.823 -0.109 0.000 1.033 337 V HN 0.573 nan 8.190 nan 0.000 0.429 338 V N 2.778 122.483 119.914 -0.349 0.000 2.479 338 V HA 0.487 4.605 4.120 -0.003 0.000 0.281 338 V C 1.270 177.076 176.094 -0.481 0.000 1.031 338 V CA 0.971 62.999 62.300 -0.454 0.000 1.038 338 V CB 0.590 31.991 31.823 -0.703 0.000 0.981 338 V HN 1.303 nan 8.190 nan 0.000 0.478 339 A N 4.430 127.138 122.820 -0.187 0.000 2.382 339 A HA 0.389 4.707 4.320 -0.003 0.000 0.228 339 A C 0.681 178.313 177.584 0.080 0.000 1.217 339 A CA 0.167 52.189 52.037 -0.025 0.000 0.923 339 A CB 0.054 19.071 19.000 0.029 0.000 0.979 339 A HN 0.701 nan 8.150 nan 0.000 0.515 340 N N -1.364 117.379 118.700 0.072 0.000 3.227 340 N HA 0.407 5.145 4.740 -0.003 0.000 0.241 340 N C -1.276 174.323 175.510 0.148 0.000 1.480 340 N CA 0.626 53.769 53.050 0.155 0.000 0.886 340 N CB 1.403 39.947 38.487 0.096 0.000 1.406 340 N HN 0.236 nan 8.380 nan 0.000 0.514 341 T N -2.282 112.364 114.554 0.153 0.000 2.843 341 T HA 0.726 5.075 4.350 -0.003 0.000 0.302 341 T C -1.032 173.710 174.700 0.070 0.000 1.232 341 T CA -0.681 61.494 62.100 0.125 0.000 1.009 341 T CB 2.142 71.120 68.868 0.182 0.000 1.254 341 T HN 0.403 nan 8.240 nan 0.000 0.504 342 E N -0.326 119.905 120.200 0.052 0.000 2.320 342 E HA 0.723 5.071 4.350 -0.003 0.000 0.264 342 E C -0.903 175.707 176.600 0.017 0.000 0.923 342 E CA -1.481 54.933 56.400 0.022 0.000 0.796 342 E CB 2.332 32.042 29.700 0.017 0.000 1.262 342 E HN 0.961 nan 8.360 nan 0.000 0.428 343 A N 1.331 124.150 122.820 -0.002 0.000 2.380 343 A HA 0.506 4.824 4.320 -0.003 0.000 0.315 343 A C -0.913 176.666 177.584 -0.008 0.000 1.101 343 A CA -0.835 51.199 52.037 -0.006 0.000 0.771 343 A CB 0.923 19.910 19.000 -0.021 0.000 1.287 343 A HN 0.686 nan 8.150 nan 0.000 0.436 344 D N 0.790 121.187 120.400 -0.006 0.000 2.440 344 D HA 0.445 5.083 4.640 -0.003 0.000 0.269 344 D C 1.141 177.433 176.300 -0.012 0.000 1.249 344 D CA 0.163 54.158 54.000 -0.007 0.000 1.055 344 D CB 0.393 41.190 40.800 -0.005 0.000 1.104 344 D HN 0.463 nan 8.370 nan 0.000 0.561 345 A N -0.584 122.229 122.820 -0.011 0.000 2.067 345 A HA -0.062 4.256 4.320 -0.003 0.000 0.219 345 A C 1.926 179.501 177.584 -0.015 0.000 1.158 345 A CA 1.603 53.632 52.037 -0.013 0.000 0.661 345 A CB -1.006 17.988 19.000 -0.011 0.000 0.801 345 A HN 0.576 nan 8.150 nan 0.000 0.452 346 S N -2.051 113.640 115.700 -0.015 0.000 2.603 346 S HA 0.371 4.839 4.470 -0.003 0.000 0.220 346 S C 1.385 175.972 174.600 -0.021 0.000 0.967 346 S CA 1.020 59.209 58.200 -0.018 0.000 0.920 346 S CB -0.256 62.933 63.200 -0.018 0.000 0.773 346 S HN 1.837 nan 8.310 nan 0.000 0.529 347 G N 0.476 109.263 108.800 -0.021 0.000 2.175 347 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.244 347 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.244 347 G C -0.241 174.646 174.900 -0.023 0.000 0.982 347 G CA 0.077 45.161 45.100 -0.026 0.000 0.641 347 G HN 0.603 nan 8.290 nan 0.000 0.527 348 E N -0.403 119.787 120.200 -0.016 0.000 2.318 348 E HA 0.532 4.880 4.350 -0.003 0.000 0.265 348 E C 0.398 176.998 176.600 0.001 0.000 1.069 348 E CA -1.052 55.342 56.400 -0.010 0.000 0.893 348 E CB 1.481 31.174 29.700 -0.011 0.000 1.076 348 E HN 0.216 nan 8.360 nan 0.000 0.414 349 L N 2.232 123.463 121.223 0.013 0.000 2.578 349 L HA -0.120 4.218 4.340 -0.003 0.000 0.279 349 L C 0.729 177.613 176.870 0.024 0.000 1.227 349 L CA 1.057 55.914 54.840 0.028 0.000 0.900 349 L CB 0.442 42.528 42.059 0.044 0.000 1.144 349 L HN 0.629 nan 8.230 nan 0.000 0.496 350 S N 2.655 118.371 115.700 0.027 0.000 2.593 350 S HA 0.736 5.204 4.470 -0.003 0.000 0.235 350 S C 0.285 174.907 174.600 0.037 0.000 1.059 350 S CA 0.135 58.350 58.200 0.025 0.000 0.953 350 S CB 0.339 63.548 63.200 0.014 0.000 0.897 350 S HN 1.066 nan 8.310 nan 0.000 0.507 351 A N 0.981 123.830 122.820 0.048 0.000 2.597 351 A HA 0.675 4.994 4.320 -0.003 0.000 0.292 351 A C -1.097 176.535 177.584 0.080 0.000 1.057 351 A CA -0.363 51.714 52.037 0.066 0.000 0.674 351 A CB 1.067 20.097 19.000 0.050 0.000 1.278 351 A HN 1.142 nan 8.150 nan 0.000 0.416 352 V N -0.878 119.098 119.914 0.103 0.000 2.628 352 V HA 0.869 4.988 4.120 -0.003 0.000 0.306 352 V C -1.047 175.118 176.094 0.118 0.000 1.045 352 V CA -0.921 61.432 62.300 0.089 0.000 0.905 352 V CB 1.334 33.180 31.823 0.038 0.000 0.997 352 V HN 0.744 nan 8.190 nan 0.000 0.436 353 L N 4.952 126.220 121.223 0.075 0.000 2.265 353 L HA 0.631 4.969 4.340 -0.003 0.000 0.289 353 L C -0.063 176.837 176.870 0.050 0.000 1.033 353 L CA -0.073 54.814 54.840 0.077 0.000 0.814 353 L CB 1.427 43.518 42.059 0.053 0.000 1.203 353 L HN 0.677 nan 8.230 nan 0.000 0.423 354 V N 3.350 123.329 119.914 0.109 0.000 2.459 354 V HA 0.913 5.032 4.120 -0.003 0.000 0.295 354 V C 0.047 176.178 176.094 0.062 0.000 1.029 354 V CA -0.585 61.749 62.300 0.058 0.000 0.874 354 V CB 1.490 33.370 31.823 0.095 0.000 0.985 354 V HN 0.861 nan 8.190 nan 0.000 0.438 355 A N 2.817 125.646 122.820 0.016 0.000 2.498 355 A HA 0.844 5.163 4.320 -0.003 0.000 0.298 355 A C 0.020 177.608 177.584 0.007 0.000 1.075 355 A CA -0.418 51.633 52.037 0.022 0.000 0.714 355 A CB 1.705 20.719 19.000 0.022 0.000 1.299 355 A HN 0.925 nan 8.150 nan 0.000 0.407 356 T N -0.721 113.841 114.554 0.014 0.000 2.900 356 T HA 0.441 4.789 4.350 -0.003 0.000 0.307 356 T C -0.325 174.379 174.700 0.007 0.000 1.065 356 T CA 0.056 62.160 62.100 0.007 0.000 1.105 356 T CB 0.510 69.385 68.868 0.012 0.000 0.979 356 T HN 1.319 nan 8.240 nan 0.000 0.544 357 L N 2.978 124.202 121.223 0.002 0.000 2.446 357 L HA 0.454 4.792 4.340 -0.003 0.000 0.268 357 L C -0.706 176.167 176.870 0.005 0.000 0.975 357 L CA -0.496 54.349 54.840 0.008 0.000 0.848 357 L CB 1.478 43.539 42.059 0.005 0.000 1.225 357 L HN 0.971 nan 8.230 nan 0.000 0.410 358 D N 2.147 122.553 120.400 0.011 0.000 2.433 358 D HA 0.099 4.737 4.640 -0.003 0.000 0.255 358 D C 0.513 176.819 176.300 0.010 0.000 1.226 358 D CA -0.144 53.862 54.000 0.009 0.000 1.015 358 D CB 0.584 41.391 40.800 0.012 0.000 1.091 358 D HN 0.618 nan 8.370 nan 0.000 0.527 359 E N -1.236 118.970 120.200 0.010 0.000 2.338 359 E HA -0.137 4.211 4.350 -0.003 0.000 0.197 359 E C 1.162 177.772 176.600 0.018 0.000 1.007 359 E CA 0.675 57.082 56.400 0.012 0.000 0.849 359 E CB -0.009 29.699 29.700 0.014 0.000 0.774 359 E HN 0.393 nan 8.360 nan 0.000 0.506 360 Q N 0.085 119.896 119.800 0.019 0.000 2.280 360 Q HA 0.150 4.488 4.340 -0.003 0.000 0.201 360 Q C -0.033 175.983 176.000 0.027 0.000 0.890 360 Q CA -0.024 55.792 55.803 0.022 0.000 0.947 360 Q CB 0.431 29.181 28.738 0.019 0.000 1.081 360 Q HN 0.196 nan 8.270 nan 0.000 0.502 361 R N 0.635 121.152 120.500 0.028 0.000 3.532 361 R HA -0.143 4.195 4.340 -0.003 0.000 0.284 361 R C -0.955 175.370 176.300 0.042 0.000 1.140 361 R CA 0.333 56.456 56.100 0.037 0.000 0.768 361 R CB -2.433 27.895 30.300 0.048 0.000 1.252 361 R HN 0.407 nan 8.270 nan 0.000 0.454 362 N N 0.755 119.475 118.700 0.033 0.000 2.472 362 N HA 0.318 5.056 4.740 -0.003 0.000 0.277 362 N C -0.105 175.425 175.510 0.033 0.000 1.081 362 N CA -0.403 52.666 53.050 0.033 0.000 0.973 362 N CB 0.959 39.461 38.487 0.024 0.000 1.105 362 N HN 0.074 nan 8.380 nan 0.000 0.470 363 L N 1.575 122.822 121.223 0.039 0.000 2.326 363 L HA 0.377 4.715 4.340 -0.003 0.000 0.278 363 L C 1.400 178.286 176.870 0.027 0.000 1.092 363 L CA -0.489 54.373 54.840 0.037 0.000 0.810 363 L CB 0.824 42.912 42.059 0.048 0.000 1.153 363 L HN 0.648 nan 8.230 nan 0.000 0.439 364 G N 2.018 110.832 108.800 0.023 0.000 2.553 364 G HA2 0.161 4.120 3.960 -0.003 0.000 0.278 364 G HA3 0.161 4.120 3.960 -0.003 0.000 0.278 364 G C -0.261 174.652 174.900 0.021 0.000 1.349 364 G CA -0.538 44.574 45.100 0.021 0.000 1.037 364 G HN 0.507 nan 8.290 nan 0.000 0.508 365 E N -0.355 119.857 120.200 0.019 0.000 2.373 365 E HA 0.419 4.768 4.350 -0.003 0.000 0.267 365 E C 0.508 177.122 176.600 0.024 0.000 1.032 365 E CA -0.156 56.255 56.400 0.018 0.000 0.889 365 E CB 1.368 31.076 29.700 0.012 0.000 0.984 365 E HN 0.534 nan 8.360 nan 0.000 0.425 366 A N 2.806 125.640 122.820 0.024 0.000 2.316 366 A HA 0.292 4.611 4.320 -0.003 0.000 0.284 366 A C 0.028 177.629 177.584 0.030 0.000 1.115 366 A CA -0.356 51.702 52.037 0.035 0.000 0.812 366 A CB 0.667 19.687 19.000 0.034 0.000 1.064 366 A HN 0.578 nan 8.150 nan 0.000 0.489 367 Q N 0.730 120.564 119.800 0.057 0.000 2.365 367 Q HA 0.522 4.860 4.340 -0.003 0.000 0.269 367 Q C -0.643 175.372 176.000 0.025 0.000 1.061 367 Q CA -0.766 55.045 55.803 0.013 0.000 0.816 367 Q CB 1.462 30.229 28.738 0.048 0.000 1.325 367 Q HN 0.786 nan 8.270 nan 0.000 0.446 368 R N 3.173 123.603 120.500 -0.117 0.000 2.265 368 R HA 0.421 4.759 4.340 -0.003 0.000 0.319 368 R C -1.593 174.545 176.300 -0.270 0.000 1.006 368 R CA -0.142 55.912 56.100 -0.076 0.000 0.880 368 R CB 0.603 30.860 30.300 -0.071 0.000 1.077 368 R HN 0.472 nan 8.270 nan 0.000 0.454 369 F N 2.199 122.143 119.950 -0.010 0.000 2.482 369 F HA 0.304 4.830 4.527 -0.003 0.000 0.331 369 F C 0.228 176.024 175.800 -0.005 0.000 1.115 369 F CA -0.780 57.215 58.000 -0.009 0.000 0.955 369 F CB 1.988 40.980 39.000 -0.013 0.000 1.136 369 F HN 0.410 nan 8.300 nan 0.000 0.452 370 E N 2.099 122.376 120.200 0.128 0.000 2.360 370 E HA 0.589 4.938 4.350 -0.003 0.000 0.269 370 E C -0.670 175.989 176.600 0.098 0.000 1.022 370 E CA -0.327 56.124 56.400 0.085 0.000 0.887 370 E CB 1.171 30.897 29.700 0.044 0.000 0.990 370 E HN 0.642 nan 8.360 nan 0.000 0.426 371 A N 2.390 125.251 122.820 0.070 0.000 2.566 371 A HA 0.255 4.573 4.320 -0.003 0.000 0.297 371 A C -0.649 176.958 177.584 0.038 0.000 1.059 371 A CA -0.818 51.251 52.037 0.054 0.000 0.691 371 A CB 1.139 20.171 19.000 0.054 0.000 1.282 371 A HN 0.697 nan 8.150 nan 0.000 0.401 372 D N 0.325 120.741 120.400 0.027 0.000 2.389 372 D HA 0.249 4.888 4.640 -0.003 0.000 0.206 372 D C 0.125 176.436 176.300 0.018 0.000 1.055 372 D CA 0.445 54.456 54.000 0.019 0.000 0.856 372 D CB 0.382 41.188 40.800 0.011 0.000 0.957 372 D HN 0.289 nan 8.370 nan 0.000 0.509 373 V N 0.805 120.730 119.914 0.019 0.000 2.760 373 V HA 0.399 4.517 4.120 -0.003 0.000 0.309 373 V C -1.408 174.697 176.094 0.018 0.000 1.077 373 V CA -1.074 61.236 62.300 0.016 0.000 0.910 373 V CB 2.543 34.370 31.823 0.007 0.000 1.008 373 V HN 0.088 nan 8.190 nan 0.000 0.424 374 L N 4.356 125.596 121.223 0.029 0.000 2.316 374 L HA 0.862 5.200 4.340 -0.003 0.000 0.280 374 L C 0.271 177.144 176.870 0.005 0.000 1.006 374 L CA -0.267 54.588 54.840 0.024 0.000 0.836 374 L CB 1.177 43.281 42.059 0.076 0.000 1.221 374 L HN 0.777 nan 8.230 nan 0.000 0.418 375 A N 5.569 128.373 122.820 -0.027 0.000 2.310 375 A HA 0.624 4.942 4.320 -0.003 0.000 0.300 375 A C -0.638 176.911 177.584 -0.059 0.000 1.269 375 A CA -0.371 51.636 52.037 -0.050 0.000 0.909 375 A CB 0.105 19.074 19.000 -0.051 0.000 1.144 375 A HN 0.513 nan 8.150 nan 0.000 0.540 376 V N 2.638 122.515 119.914 -0.061 0.000 2.398 376 V HA 0.545 4.663 4.120 -0.003 0.000 0.286 376 V C 0.413 176.465 176.094 -0.071 0.000 1.026 376 V CA -0.293 61.989 62.300 -0.029 0.000 0.868 376 V CB 1.690 33.554 31.823 0.069 0.000 0.982 376 V HN 0.832 nan 8.190 nan 0.000 0.443 377 S N 3.120 118.772 115.700 -0.080 0.000 2.733 377 S HA 0.531 4.999 4.470 -0.003 0.000 0.307 377 S C 0.791 175.315 174.600 -0.128 0.000 1.127 377 S CA 0.003 58.120 58.200 -0.137 0.000 1.097 377 S CB 0.957 64.091 63.200 -0.110 0.000 1.003 377 S HN 0.994 nan 8.310 nan 0.000 0.477 378 G N 2.345 111.063 108.800 -0.137 0.000 3.284 378 G HA2 0.535 4.493 3.960 -0.003 0.000 0.236 378 G HA3 0.535 4.493 3.960 -0.003 0.000 0.236 378 G C 0.798 175.604 174.900 -0.158 0.000 1.158 378 G CA 0.145 45.182 45.100 -0.104 0.000 0.774 378 G HN 1.372 nan 8.290 nan 0.000 0.545 379 G N -0.737 107.889 108.800 -0.290 0.000 2.409 379 G HA2 0.146 4.104 3.960 -0.003 0.000 0.421 379 G HA3 0.146 4.104 3.960 -0.003 0.000 0.421 379 G C -1.129 173.364 174.900 -0.678 0.000 1.259 379 G CA -1.060 43.896 45.100 -0.240 0.000 1.011 379 G HN 0.379 nan 8.290 nan 0.000 0.497 380 F N 0.482 120.495 119.950 0.106 0.000 2.569 380 F HA 0.565 5.090 4.527 -0.003 0.000 0.312 380 F C -0.158 175.729 175.800 0.145 0.000 1.109 380 F CA -1.006 57.066 58.000 0.119 0.000 0.919 380 F CB 2.568 41.607 39.000 0.066 0.000 1.211 380 F HN 0.321 nan 8.300 nan 0.000 0.446 381 N N 3.517 122.410 118.700 0.321 0.000 2.501 381 N HA 0.337 5.075 4.740 -0.003 0.000 0.245 381 N C -2.839 172.821 175.510 0.250 0.000 0.974 381 N CA -1.690 51.543 53.050 0.305 0.000 0.941 381 N CB 1.534 40.237 38.487 0.361 0.000 1.122 381 N HN 0.104 nan 8.380 nan 0.000 0.507 382 P HA -0.082 nan 4.420 nan 0.000 0.264 382 P C -0.079 177.276 177.300 0.092 0.000 1.179 382 P CA 0.120 63.270 63.100 0.084 0.000 0.763 382 P CB 0.707 32.430 31.700 0.037 0.000 0.806 383 V N 4.658 124.573 119.914 0.002 0.000 2.223 383 V HA -0.005 4.113 4.120 -0.003 0.000 0.249 383 V C 1.530 177.662 176.094 0.063 0.000 1.233 383 V CA 0.187 62.515 62.300 0.047 0.000 1.131 383 V CB -0.020 31.661 31.823 -0.236 0.000 1.298 383 V HN 0.462 nan 8.190 nan 0.000 0.498 384 V N 0.087 120.036 119.914 0.059 0.000 3.623 384 V HA 0.024 4.142 4.120 -0.003 0.000 0.271 384 V C 1.897 177.836 176.094 -0.260 0.000 1.248 384 V CA 0.598 62.811 62.300 -0.146 0.000 1.156 384 V CB -1.234 30.442 31.823 -0.245 0.000 0.870 384 V HN 0.745 nan 8.190 nan 0.000 0.453 385 H N 1.526 120.377 119.070 -0.364 0.000 2.289 385 H HA -0.131 4.424 4.556 -0.003 0.000 0.294 385 H C 2.043 177.270 175.328 -0.168 0.000 1.095 385 H CA 2.555 58.444 56.048 -0.264 0.000 1.256 385 H CB -0.671 29.229 29.762 0.228 0.000 1.359 385 H HN 0.415 nan 8.280 nan 0.000 0.487 386 L N -0.636 120.581 121.223 -0.010 0.000 2.093 386 L HA -0.169 4.170 4.340 -0.003 0.000 0.208 386 L C 2.628 179.454 176.870 -0.072 0.000 1.085 386 L CA 1.362 56.163 54.840 -0.064 0.000 0.755 386 L CB -0.567 41.422 42.059 -0.117 0.000 0.904 386 L HN 0.476 nan 8.230 nan 0.000 0.435 387 H N 0.175 119.156 119.070 -0.149 0.000 2.319 387 H HA -0.156 4.398 4.556 -0.003 0.000 0.299 387 H C 2.206 177.450 175.328 -0.139 0.000 1.092 387 H CA 2.004 57.970 56.048 -0.137 0.000 1.302 387 H CB 0.338 30.016 29.762 -0.140 0.000 1.373 387 H HN 0.246 nan 8.280 nan 0.000 0.497 388 S N 0.704 116.266 115.700 -0.229 0.000 2.428 388 S HA -0.100 4.368 4.470 -0.003 0.000 0.230 388 S C 2.065 176.602 174.600 -0.105 0.000 1.014 388 S CA 0.688 58.759 58.200 -0.216 0.000 0.957 388 S CB -0.108 62.934 63.200 -0.264 0.000 0.784 388 S HN 0.516 nan 8.310 nan 0.000 0.499 389 Q N 0.452 120.204 119.800 -0.079 0.000 2.234 389 Q HA 0.013 4.351 4.340 -0.003 0.000 0.206 389 Q C 1.177 177.110 176.000 -0.112 0.000 0.980 389 Q CA 0.740 56.506 55.803 -0.060 0.000 0.869 389 Q CB -0.006 28.672 28.738 -0.100 0.000 0.912 389 Q HN 0.201 nan 8.270 nan 0.000 0.436 390 R N 0.586 120.990 120.500 -0.159 0.000 2.480 390 R HA 0.053 4.391 4.340 -0.003 0.000 0.277 390 R C -0.169 176.040 176.300 -0.152 0.000 1.008 390 R CA 0.077 56.091 56.100 -0.144 0.000 1.090 390 R CB 0.339 30.549 30.300 -0.150 0.000 1.234 390 R HN 0.218 nan 8.270 nan 0.000 0.549 391 Q N -1.603 118.111 119.800 -0.142 0.000 2.481 391 Q HA -0.152 4.187 4.340 -0.003 0.000 0.258 391 Q C 0.396 176.275 176.000 -0.201 0.000 0.961 391 Q CA 1.156 56.886 55.803 -0.121 0.000 1.121 391 Q CB -2.160 26.540 28.738 -0.064 0.000 1.503 391 Q HN 0.530 nan 8.270 nan 0.000 0.544 392 G N 0.531 109.069 108.800 -0.436 0.000 2.432 392 G HA2 0.262 4.220 3.960 -0.003 0.000 0.239 392 G HA3 0.262 4.220 3.960 -0.003 0.000 0.239 392 G C -0.068 174.687 174.900 -0.241 0.000 1.291 392 G CA -0.421 44.256 45.100 -0.705 0.000 0.863 392 G HN 0.091 nan 8.290 nan 0.000 0.560 393 K N 0.618 121.044 120.400 0.044 0.000 2.087 393 K HA 0.526 4.844 4.320 -0.003 0.000 0.255 393 K C -0.186 176.560 176.600 0.243 0.000 0.988 393 K CA -0.431 55.932 56.287 0.126 0.000 0.915 393 K CB 1.475 34.032 32.500 0.094 0.000 1.043 393 K HN 0.277 nan 8.250 nan 0.000 0.457 394 L N 1.675 123.016 121.223 0.196 0.000 2.342 394 L HA 0.414 4.753 4.340 -0.003 0.000 0.271 394 L C -0.372 176.657 176.870 0.265 0.000 1.008 394 L CA -1.133 53.848 54.840 0.235 0.000 0.818 394 L CB 1.728 43.949 42.059 0.269 0.000 1.296 394 L HN 0.552 nan 8.230 nan 0.000 0.427 395 N N 0.352 119.199 118.700 0.244 0.000 2.384 395 N HA 0.306 5.044 4.740 -0.003 0.000 0.301 395 N C -1.438 174.224 175.510 0.253 0.000 1.133 395 N CA -0.497 52.683 53.050 0.217 0.000 0.853 395 N CB 2.516 41.064 38.487 0.102 0.000 1.241 395 N HN 0.563 nan 8.380 nan 0.000 0.502 396 W N 2.044 123.340 121.300 -0.007 0.000 2.331 396 W HA 0.164 4.823 4.660 -0.003 0.000 0.306 396 W C -0.678 175.775 176.519 -0.110 0.000 1.162 396 W CA -0.184 57.046 57.345 -0.191 0.000 1.232 396 W CB 0.698 29.999 29.460 -0.264 0.000 1.235 396 W HN 0.405 nan 8.180 nan 0.000 0.479 397 D N 4.612 124.575 120.400 -0.730 0.000 2.359 397 D HA 0.012 4.650 4.640 -0.003 0.000 0.230 397 D C 1.270 177.122 176.300 -0.747 0.000 1.118 397 D CA 0.009 53.687 54.000 -0.537 0.000 0.844 397 D CB 1.321 41.874 40.800 -0.412 0.000 1.059 397 D HN 0.453 nan 8.370 nan 0.000 0.493 398 T N -0.025 114.274 114.554 -0.425 0.000 3.160 398 T HA -0.077 4.271 4.350 -0.003 0.000 0.257 398 T C 1.610 175.947 174.700 -0.605 0.000 1.147 398 T CA 0.641 62.513 62.100 -0.380 0.000 1.064 398 T CB 0.194 69.046 68.868 -0.026 0.000 0.949 398 T HN 0.208 nan 8.240 nan 0.000 0.526 399 S N 1.762 117.189 115.700 -0.454 0.000 2.388 399 S HA 0.096 4.564 4.470 -0.003 0.000 0.223 399 S C 1.853 176.235 174.600 -0.362 0.000 1.034 399 S CA 0.501 58.496 58.200 -0.341 0.000 0.963 399 S CB -0.412 62.675 63.200 -0.188 0.000 0.827 399 S HN 0.771 nan 8.310 nan 0.000 0.481 400 I N -2.783 117.569 120.570 -0.364 0.000 4.057 400 I HA 0.390 4.558 4.170 -0.003 0.000 0.334 400 I C -0.504 175.537 176.117 -0.126 0.000 1.308 400 I CA -0.256 60.950 61.300 -0.157 0.000 1.125 400 I CB -0.403 37.550 38.000 -0.077 0.000 1.034 400 I HN 0.165 nan 8.210 nan 0.000 0.401 401 H N 1.746 120.653 119.070 -0.270 0.000 2.794 401 H HA -0.040 4.515 4.556 -0.003 0.000 0.334 401 H C -0.039 174.898 175.328 -0.651 0.000 1.154 401 H CA 0.639 56.462 56.048 -0.375 0.000 1.129 401 H CB -1.337 28.560 29.762 0.225 0.000 1.600 401 H HN 0.747 nan 8.280 nan 0.000 0.410 402 A N 1.152 123.250 122.820 -1.204 0.000 2.612 402 A HA 0.619 4.937 4.320 -0.003 0.000 0.293 402 A C -0.788 176.362 177.584 -0.723 0.000 1.075 402 A CA -0.891 50.761 52.037 -0.642 0.000 0.680 402 A CB 1.084 20.011 19.000 -0.122 0.000 1.279 402 A HN 0.088 nan 8.150 nan 0.000 0.411 403 F N 0.843 120.794 119.950 0.003 0.000 2.456 403 F HA 0.453 4.978 4.527 -0.003 0.000 0.358 403 F C 0.887 176.692 175.800 0.008 0.000 1.095 403 F CA 0.377 58.444 58.000 0.112 0.000 1.216 403 F CB 1.374 40.526 39.000 0.254 0.000 1.125 403 F HN 0.534 nan 8.300 nan 0.000 0.549 404 V N 1.321 121.312 119.914 0.128 0.000 3.001 404 V HA 0.718 4.836 4.120 -0.003 0.000 0.314 404 V C -2.882 173.208 176.094 -0.006 0.000 1.099 404 V CA -3.235 59.074 62.300 0.014 0.000 0.989 404 V CB 1.886 33.673 31.823 -0.060 0.000 1.040 404 V HN 0.383 nan 8.190 nan 0.000 0.434 405 P HA 0.424 nan 4.420 nan 0.000 0.271 405 P C 0.070 177.287 177.300 -0.140 0.000 1.218 405 P CA 0.366 63.274 63.100 -0.320 0.000 0.780 405 P CB 1.056 32.280 31.700 -0.793 0.000 0.901 406 A N 2.966 125.782 122.820 -0.006 0.000 3.720 406 A HA 0.166 4.485 4.320 -0.003 0.000 0.157 406 A C 0.214 177.814 177.584 0.025 0.000 1.736 406 A CA 0.242 52.300 52.037 0.036 0.000 1.289 406 A CB -0.854 18.199 19.000 0.090 0.000 1.598 406 A HN 0.430 nan 8.150 nan 0.000 0.692 407 D N 0.426 120.865 120.400 0.065 0.000 2.414 407 D HA 0.453 5.091 4.640 -0.003 0.000 0.242 407 D C 0.365 176.734 176.300 0.116 0.000 1.129 407 D CA 0.824 54.854 54.000 0.050 0.000 0.885 407 D CB 0.939 41.762 40.800 0.038 0.000 1.198 407 D HN 0.616 nan 8.370 nan 0.000 0.437 408 A N 1.928 124.778 122.820 0.050 0.000 2.483 408 A HA 0.209 4.527 4.320 -0.003 0.000 0.238 408 A C 0.459 178.072 177.584 0.049 0.000 1.070 408 A CA -0.466 51.612 52.037 0.068 0.000 0.770 408 A CB 0.330 19.299 19.000 -0.051 0.000 1.008 408 A HN 0.393 nan 8.150 nan 0.000 0.497 409 V N 1.471 121.413 119.914 0.046 0.000 2.999 409 V HA 0.270 4.388 4.120 -0.003 0.000 0.307 409 V C 1.340 177.403 176.094 -0.051 0.000 1.084 409 V CA 0.218 62.496 62.300 -0.036 0.000 1.155 409 V CB 0.509 32.285 31.823 -0.078 0.000 0.975 409 V HN 1.221 nan 8.190 nan 0.000 0.490 410 A N 4.328 127.120 122.820 -0.045 0.000 2.567 410 A HA 0.143 4.461 4.320 -0.003 0.000 0.240 410 A C 1.072 178.626 177.584 -0.049 0.000 1.053 410 A CA 0.360 52.370 52.037 -0.045 0.000 0.755 410 A CB -0.608 18.378 19.000 -0.022 0.000 0.978 410 A HN 1.147 nan 8.150 nan 0.000 0.507 411 N N 0.124 118.780 118.700 -0.074 0.000 2.776 411 N HA -0.142 4.597 4.740 -0.003 0.000 0.250 411 N C -0.307 175.170 175.510 -0.055 0.000 1.112 411 N CA 1.733 54.761 53.050 -0.037 0.000 0.733 411 N CB -1.242 37.261 38.487 0.027 0.000 1.097 411 N HN 0.901 nan 8.380 nan 0.000 0.558 412 Q N -0.698 118.989 119.800 -0.189 0.000 2.458 412 Q HA 0.619 4.958 4.340 -0.003 0.000 0.282 412 Q C -1.006 174.748 176.000 -0.409 0.000 1.106 412 Q CA -0.586 55.135 55.803 -0.137 0.000 0.814 412 Q CB 1.924 30.642 28.738 -0.033 0.000 1.425 412 Q HN 0.329 nan 8.270 nan 0.000 0.437 413 H N -0.473 118.596 119.070 -0.002 0.000 2.930 413 H HA 0.548 5.102 4.556 -0.003 0.000 0.371 413 H C -1.284 174.025 175.328 -0.032 0.000 1.169 413 H CA -0.534 55.505 56.048 -0.014 0.000 1.157 413 H CB 1.463 31.215 29.762 -0.016 0.000 1.789 413 H HN 0.288 nan 8.280 nan 0.000 0.547 414 L N 1.738 122.992 121.223 0.052 0.000 2.362 414 L HA 0.881 5.219 4.340 -0.003 0.000 0.275 414 L C -0.441 176.416 176.870 -0.021 0.000 0.998 414 L CA -0.805 54.021 54.840 -0.022 0.000 0.820 414 L CB 1.747 43.753 42.059 -0.088 0.000 1.270 414 L HN 0.732 nan 8.230 nan 0.000 0.415 415 A N 1.932 124.729 122.820 -0.038 0.000 2.556 415 A HA 0.961 5.279 4.320 -0.003 0.000 0.294 415 A C -0.001 177.548 177.584 -0.059 0.000 1.091 415 A CA -0.025 51.987 52.037 -0.041 0.000 0.704 415 A CB 1.640 20.622 19.000 -0.031 0.000 1.300 415 A HN 1.065 nan 8.150 nan 0.000 0.406 416 G N -0.348 108.414 108.800 -0.063 0.000 2.632 416 G HA2 0.267 4.226 3.960 -0.003 0.000 0.224 416 G HA3 0.267 4.226 3.960 -0.003 0.000 0.224 416 G C 1.161 176.011 174.900 -0.083 0.000 1.341 416 G CA 0.796 45.851 45.100 -0.074 0.000 0.880 416 G HN 2.270 nan 8.290 nan 0.000 0.566 417 A N -1.134 121.631 122.820 -0.092 0.000 1.997 417 A HA 0.005 4.323 4.320 -0.003 0.000 0.221 417 A C 2.625 180.164 177.584 -0.076 0.000 1.172 417 A CA 2.930 54.909 52.037 -0.096 0.000 0.645 417 A CB -0.404 18.530 19.000 -0.110 0.000 0.813 417 A HN 2.046 nan 8.150 nan 0.000 0.454 418 L N 0.670 121.846 121.223 -0.078 0.000 2.089 418 L HA -0.192 4.146 4.340 -0.003 0.000 0.213 418 L C 2.512 179.328 176.870 -0.090 0.000 1.079 418 L CA 3.032 57.823 54.840 -0.082 0.000 0.758 418 L CB -1.065 40.935 42.059 -0.098 0.000 0.891 418 L HN 0.583 nan 8.230 nan 0.000 0.433 419 T N -3.991 110.509 114.554 -0.090 0.000 3.148 419 T HA 0.335 4.684 4.350 -0.003 0.000 0.253 419 T C 1.467 176.115 174.700 -0.087 0.000 1.134 419 T CA 0.476 62.519 62.100 -0.094 0.000 1.051 419 T CB -0.211 68.608 68.868 -0.083 0.000 0.959 419 T HN 0.758 nan 8.240 nan 0.000 0.525 420 G N 0.958 109.710 108.800 -0.080 0.000 2.176 420 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.232 420 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.232 420 G C -0.105 174.740 174.900 -0.091 0.000 0.986 420 G CA -0.095 44.954 45.100 -0.084 0.000 0.643 420 G HN 0.600 nan 8.290 nan 0.000 0.522 421 L N 1.163 122.331 121.223 -0.091 0.000 2.264 421 L HA 0.528 4.867 4.340 -0.003 0.000 0.289 421 L C 1.327 178.128 176.870 -0.115 0.000 1.044 421 L CA -0.597 54.186 54.840 -0.095 0.000 0.807 421 L CB 1.204 43.212 42.059 -0.085 0.000 1.192 421 L HN 0.059 nan 8.230 nan 0.000 0.425 422 L N 2.523 123.666 121.223 -0.133 0.000 2.769 422 L HA 0.179 4.517 4.340 -0.003 0.000 0.240 422 L C 0.242 177.004 176.870 -0.180 0.000 1.163 422 L CA -0.132 54.594 54.840 -0.189 0.000 0.962 422 L CB -0.174 41.734 42.059 -0.251 0.000 1.258 422 L HN 0.673 nan 8.230 nan 0.000 0.513 423 D N -2.137 118.181 120.400 -0.136 0.000 2.326 423 D HA 0.157 4.795 4.640 -0.003 0.000 0.248 423 D C 0.448 176.673 176.300 -0.125 0.000 1.001 423 D CA -0.434 53.491 54.000 -0.124 0.000 0.961 423 D CB 1.736 42.476 40.800 -0.100 0.000 1.183 423 D HN -0.255 nan 8.370 nan 0.000 0.502 424 T N 0.430 114.907 114.554 -0.128 0.000 2.857 424 T HA -0.018 4.331 4.350 -0.003 0.000 0.266 424 T C 1.891 176.499 174.700 -0.153 0.000 1.048 424 T CA 1.520 63.532 62.100 -0.146 0.000 1.139 424 T CB -0.289 68.483 68.868 -0.159 0.000 0.874 424 T HN 0.622 nan 8.240 nan 0.000 0.455 425 A N 1.481 124.219 122.820 -0.135 0.000 1.883 425 A HA -0.116 4.202 4.320 -0.003 0.000 0.217 425 A C 2.599 180.118 177.584 -0.109 0.000 1.186 425 A CA 2.023 53.984 52.037 -0.127 0.000 0.624 425 A CB -0.923 18.015 19.000 -0.102 0.000 0.822 425 A HN 0.435 nan 8.150 nan 0.000 0.444 426 S N -0.317 115.324 115.700 -0.098 0.000 2.383 426 S HA 0.011 4.479 4.470 -0.003 0.000 0.227 426 S C 2.281 176.830 174.600 -0.085 0.000 1.026 426 S CA 1.040 59.189 58.200 -0.085 0.000 0.981 426 S CB -0.437 62.714 63.200 -0.082 0.000 0.818 426 S HN 0.797 nan 8.310 nan 0.000 0.472 427 A N 1.562 124.323 122.820 -0.099 0.000 1.883 427 A HA -0.055 4.263 4.320 -0.003 0.000 0.217 427 A C 2.096 179.629 177.584 -0.085 0.000 1.186 427 A CA 1.279 53.261 52.037 -0.092 0.000 0.624 427 A CB -0.742 18.197 19.000 -0.102 0.000 0.822 427 A HN 0.461 nan 8.150 nan 0.000 0.444 428 L N -0.912 120.243 121.223 -0.114 0.000 2.093 428 L HA -0.121 4.217 4.340 -0.003 0.000 0.208 428 L C 2.918 179.749 176.870 -0.065 0.000 1.085 428 L CA 1.418 56.191 54.840 -0.112 0.000 0.755 428 L CB -0.375 41.560 42.059 -0.207 0.000 0.904 428 L HN 0.509 nan 8.230 nan 0.000 0.435 429 S N -0.499 115.159 115.700 -0.070 0.000 2.345 429 S HA -0.173 4.295 4.470 -0.003 0.000 0.219 429 S C 2.175 176.753 174.600 -0.037 0.000 1.031 429 S CA 1.834 60.005 58.200 -0.049 0.000 0.984 429 S CB -0.320 62.848 63.200 -0.053 0.000 0.874 429 S HN 0.601 nan 8.310 nan 0.000 0.451 430 T N -0.935 113.594 114.554 -0.041 0.000 2.788 430 T HA 0.057 4.405 4.350 -0.003 0.000 0.268 430 T C 1.984 176.668 174.700 -0.028 0.000 1.044 430 T CA 1.474 63.555 62.100 -0.032 0.000 1.139 430 T CB -1.361 67.484 68.868 -0.038 0.000 0.867 430 T HN 0.409 nan 8.240 nan 0.000 0.454 431 G N 1.583 110.365 108.800 -0.030 0.000 2.459 431 G HA2 -0.007 3.952 3.960 -0.003 0.000 0.217 431 G HA3 -0.007 3.952 3.960 -0.003 0.000 0.217 431 G C 1.956 176.845 174.900 -0.018 0.000 1.183 431 G CA 1.079 46.166 45.100 -0.021 0.000 0.776 431 G HN 0.754 nan 8.290 nan 0.000 0.552 432 A N 1.199 124.014 122.820 -0.007 0.000 1.883 432 A HA 0.206 4.524 4.320 -0.003 0.000 0.217 432 A C 2.852 180.422 177.584 -0.022 0.000 1.186 432 A CA 2.581 54.616 52.037 -0.004 0.000 0.624 432 A CB -0.941 18.065 19.000 0.009 0.000 0.822 432 A HN 0.890 nan 8.150 nan 0.000 0.444 433 A N -0.384 122.423 122.820 -0.021 0.000 1.902 433 A HA -0.103 4.215 4.320 -0.003 0.000 0.217 433 A C 2.443 180.004 177.584 -0.039 0.000 1.181 433 A CA 2.612 54.636 52.037 -0.022 0.000 0.623 433 A CB -1.416 17.577 19.000 -0.012 0.000 0.818 433 A HN 0.778 nan 8.150 nan 0.000 0.443 434 T N -2.766 111.762 114.554 -0.043 0.000 2.821 434 T HA 0.050 4.398 4.350 -0.003 0.000 0.267 434 T C 1.900 176.474 174.700 -0.210 0.000 1.046 434 T CA 1.488 63.535 62.100 -0.090 0.000 1.139 434 T CB -0.843 68.015 68.868 -0.016 0.000 0.871 434 T HN 0.396 nan 8.240 nan 0.000 0.454 435 G N 1.250 109.972 108.800 -0.130 0.000 2.402 435 G HA2 0.102 4.061 3.960 -0.003 0.000 0.216 435 G HA3 0.102 4.061 3.960 -0.003 0.000 0.216 435 G C 1.894 176.720 174.900 -0.124 0.000 1.162 435 G CA 0.709 45.731 45.100 -0.131 0.000 0.777 435 G HN 0.722 nan 8.290 nan 0.000 0.539 436 A N 1.016 123.783 122.820 -0.087 0.000 1.930 436 A HA 0.367 4.686 4.320 -0.003 0.000 0.217 436 A C 2.749 180.290 177.584 -0.072 0.000 1.175 436 A CA 2.011 54.014 52.037 -0.058 0.000 0.627 436 A CB -0.590 18.393 19.000 -0.029 0.000 0.815 436 A HN 0.689 nan 8.150 nan 0.000 0.443 437 A N -0.243 122.506 122.820 -0.118 0.000 1.929 437 A HA 0.267 4.585 4.320 -0.003 0.000 0.216 437 A C 2.440 179.896 177.584 -0.212 0.000 1.176 437 A CA 1.746 53.718 52.037 -0.109 0.000 0.628 437 A CB -0.806 18.169 19.000 -0.042 0.000 0.816 437 A HN 0.903 nan 8.150 nan 0.000 0.444 438 A N 0.055 122.591 122.820 -0.474 0.000 1.873 438 A HA 0.220 4.539 4.320 -0.003 0.000 0.215 438 A C 2.527 180.057 177.584 -0.089 0.000 1.186 438 A CA 1.924 53.715 52.037 -0.409 0.000 0.616 438 A CB -1.152 17.590 19.000 -0.430 0.000 0.823 438 A HN 1.034 nan 8.150 nan 0.000 0.442 439 A N -0.090 122.690 122.820 -0.067 0.000 1.884 439 A HA -0.182 4.136 4.320 -0.003 0.000 0.219 439 A C 2.457 180.107 177.584 0.109 0.000 1.197 439 A CA 2.498 54.558 52.037 0.038 0.000 0.637 439 A CB -1.122 17.888 19.000 0.016 0.000 0.827 439 A HN 0.497 nan 8.150 nan 0.000 0.450 440 S N -0.141 115.592 115.700 0.054 0.000 2.368 440 S HA -0.048 4.420 4.470 -0.003 0.000 0.225 440 S C 2.230 176.867 174.600 0.061 0.000 1.030 440 S CA 1.251 59.485 58.200 0.057 0.000 0.999 440 S CB -0.512 62.707 63.200 0.031 0.000 0.844 440 S HN 0.854 nan 8.310 nan 0.000 0.459 441 A N 1.036 123.899 122.820 0.071 0.000 2.067 441 A HA 0.318 4.636 4.320 -0.003 0.000 0.219 441 A C 2.045 179.685 177.584 0.094 0.000 1.158 441 A CA 1.263 53.353 52.037 0.089 0.000 0.661 441 A CB -0.589 18.498 19.000 0.144 0.000 0.801 441 A HN 0.499 nan 8.150 nan 0.000 0.452 442 A N -1.790 121.106 122.820 0.126 0.000 2.278 442 A HA 0.439 4.757 4.320 -0.003 0.000 0.212 442 A C 1.573 179.254 177.584 0.161 0.000 1.213 442 A CA 1.071 53.209 52.037 0.169 0.000 0.840 442 A CB -0.779 18.352 19.000 0.218 0.000 0.866 442 A HN 1.755 nan 8.150 nan 0.000 0.489 443 G N -2.145 106.684 108.800 0.048 0.000 2.163 443 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.213 443 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.213 443 G C -0.147 174.516 174.900 -0.394 0.000 0.991 443 G CA -0.055 44.936 45.100 -0.182 0.000 0.653 443 G HN 0.397 nan 8.290 nan 0.000 0.518 444 F N 1.945 121.895 119.950 0.000 0.000 2.451 444 F HA 0.447 4.973 4.527 -0.003 0.000 0.367 444 F C 0.553 176.347 175.800 -0.010 0.000 1.100 444 F CA -1.037 56.960 58.000 -0.005 0.000 1.171 444 F CB 1.246 40.242 39.000 -0.007 0.000 1.405 444 F HN 0.062 nan 8.300 nan 0.000 0.482 445 E N 3.265 123.515 120.200 0.083 0.000 2.452 445 E HA 0.072 4.420 4.350 -0.003 0.000 0.261 445 E C -0.574 176.063 176.600 0.062 0.000 0.987 445 E CA 0.398 56.829 56.400 0.051 0.000 0.926 445 E CB 0.918 30.628 29.700 0.016 0.000 0.934 445 E HN 0.401 nan 8.360 nan 0.000 0.452 446 K N 4.029 124.453 120.400 0.040 0.000 2.543 446 K HA 0.311 4.629 4.320 -0.003 0.000 0.255 446 K C -1.596 175.012 176.600 0.012 0.000 0.934 446 K CA -0.624 55.679 56.287 0.027 0.000 0.810 446 K CB 0.849 33.362 32.500 0.021 0.000 1.315 446 K HN 0.261 nan 8.250 nan 0.000 0.433 447 I N 3.198 123.773 120.570 0.009 0.000 2.336 447 I HA 0.453 4.621 4.170 -0.003 0.000 0.292 447 I C 0.335 176.453 176.117 0.001 0.000 0.991 447 I CA -1.079 60.224 61.300 0.004 0.000 1.227 447 I CB 0.766 38.769 38.000 0.004 0.000 1.366 447 I HN 0.802 nan 8.210 nan 0.000 0.466 448 A N 6.027 128.845 122.820 -0.003 0.000 2.520 448 A HA 0.156 4.474 4.320 -0.003 0.000 0.245 448 A C 0.430 178.015 177.584 0.001 0.000 1.072 448 A CA -0.051 51.984 52.037 -0.004 0.000 0.761 448 A CB -0.035 18.960 19.000 -0.008 0.000 1.004 448 A HN 0.795 nan 8.150 nan 0.000 0.499 449 E N 2.556 122.760 120.200 0.007 0.000 2.158 449 E HA 0.517 4.866 4.350 -0.003 0.000 0.271 449 E C -1.553 175.061 176.600 0.023 0.000 0.911 449 E CA -0.634 55.774 56.400 0.014 0.000 0.767 449 E CB 1.449 31.160 29.700 0.017 0.000 1.120 449 E HN 0.348 nan 8.360 nan 0.000 0.405 450 V N 6.419 126.341 119.914 0.014 0.000 2.347 450 V HA 0.322 4.441 4.120 -0.003 0.000 0.280 450 V C -2.131 173.965 176.094 0.003 0.000 1.021 450 V CA -1.814 60.488 62.300 0.004 0.000 0.847 450 V CB 1.055 32.869 31.823 -0.016 0.000 0.990 450 V HN 0.754 nan 8.190 nan 0.000 0.444 451 P HA 0.212 nan 4.420 nan 0.000 0.271 451 P C -0.729 176.494 177.300 -0.128 0.000 1.218 451 P CA -0.274 62.807 63.100 -0.033 0.000 0.780 451 P CB 0.463 32.126 31.700 -0.062 0.000 0.901 452 Q N 0.961 120.678 119.800 -0.139 0.000 2.282 452 Q HA 0.726 5.064 4.340 -0.003 0.000 0.260 452 Q C -0.645 175.248 176.000 -0.179 0.000 0.964 452 Q CA -0.557 55.170 55.803 -0.128 0.000 0.880 452 Q CB 2.508 31.200 28.738 -0.078 0.000 1.286 452 Q HN 0.491 nan 8.270 nan 0.000 0.445 453 A N 2.551 125.277 122.820 -0.157 0.000 2.475 453 A HA 0.631 4.949 4.320 -0.003 0.000 0.301 453 A C -0.566 176.952 177.584 -0.110 0.000 1.059 453 A CA -0.742 51.200 52.037 -0.157 0.000 0.710 453 A CB 0.981 19.868 19.000 -0.188 0.000 1.288 453 A HN 0.686 nan 8.150 nan 0.000 0.408 454 L N 1.429 122.596 121.223 -0.094 0.000 2.499 454 L HA 0.278 4.616 4.340 -0.003 0.000 0.281 454 L C 1.226 178.052 176.870 -0.074 0.000 1.234 454 L CA -0.063 54.732 54.840 -0.073 0.000 0.839 454 L CB 0.293 42.315 42.059 -0.062 0.000 1.104 454 L HN 0.854 nan 8.230 nan 0.000 0.500 455 A N 2.999 125.781 122.820 -0.063 0.000 2.477 455 A HA 0.414 4.733 4.320 -0.003 0.000 0.246 455 A C -0.123 177.426 177.584 -0.058 0.000 1.078 455 A CA -0.214 51.787 52.037 -0.060 0.000 0.770 455 A CB 0.237 19.207 19.000 -0.051 0.000 1.011 455 A HN 0.455 nan 8.150 nan 0.000 0.494 456 V N 5.871 125.749 119.914 -0.061 0.000 2.383 456 V HA 0.224 4.343 4.120 -0.003 0.000 0.264 456 V C -2.288 173.775 176.094 -0.052 0.000 1.001 456 V CA -1.083 61.185 62.300 -0.054 0.000 0.828 456 V CB 0.704 32.492 31.823 -0.058 0.000 1.069 456 V HN 0.864 nan 8.190 nan 0.000 0.451 457 P HA 0.287 nan 4.420 nan 0.000 0.266 457 P C 0.220 177.497 177.300 -0.038 0.000 1.195 457 P CA 0.190 63.264 63.100 -0.043 0.000 0.768 457 P CB 0.653 32.330 31.700 -0.038 0.000 0.838 458 A N 2.297 125.093 122.820 -0.039 0.000 2.448 458 A HA 0.524 4.842 4.320 -0.003 0.000 0.239 458 A C 0.766 178.339 177.584 -0.019 0.000 1.080 458 A CA 0.680 52.698 52.037 -0.031 0.000 0.779 458 A CB -0.315 18.662 19.000 -0.039 0.000 1.026 458 A HN 0.643 nan 8.150 nan 0.000 0.499 459 G N -0.571 108.228 108.800 -0.002 0.000 2.816 459 G HA2 0.523 4.481 3.960 -0.003 0.000 0.288 459 G HA3 0.523 4.481 3.960 -0.003 0.000 0.288 459 G C -0.491 174.421 174.900 0.021 0.000 1.334 459 G CA -0.491 44.613 45.100 0.006 0.000 0.978 459 G HN 0.927 nan 8.290 nan 0.000 0.493 460 E N -0.716 119.502 120.200 0.029 0.000 2.437 460 E HA 0.229 4.578 4.350 -0.003 0.000 0.263 460 E C -0.624 176.019 176.600 0.072 0.000 1.030 460 E CA 0.390 56.820 56.400 0.049 0.000 0.934 460 E CB 0.387 30.113 29.700 0.044 0.000 0.943 460 E HN 0.192 nan 8.360 nan 0.000 0.444 461 T N 4.857 119.477 114.554 0.110 0.000 2.809 461 T HA 0.261 4.610 4.350 -0.003 0.000 0.284 461 T C -0.370 174.404 174.700 0.124 0.000 0.992 461 T CA -0.575 61.603 62.100 0.131 0.000 0.957 461 T CB 0.896 69.873 68.868 0.183 0.000 0.942 461 T HN 0.419 nan 8.240 nan 0.000 0.439 462 R N 4.499 124.998 120.500 -0.002 0.000 2.254 462 R HA 0.364 4.702 4.340 -0.003 0.000 0.318 462 R C -2.561 173.552 176.300 -0.313 0.000 1.031 462 R CA -1.899 54.131 56.100 -0.118 0.000 0.905 462 R CB 0.566 30.812 30.300 -0.090 0.000 1.050 462 R HN 0.266 nan 8.270 nan 0.000 0.456 463 P HA 0.066 nan 4.420 nan 0.000 0.276 463 P C -1.075 175.745 177.300 -0.799 0.000 1.253 463 P CA -0.158 62.420 63.100 -0.870 0.000 0.766 463 P CB 1.202 32.437 31.700 -0.776 0.000 0.845 464 V N 4.844 124.224 119.914 -0.890 0.000 2.385 464 V HA 0.202 4.321 4.120 -0.003 0.000 0.277 464 V C 0.309 176.143 176.094 -0.434 0.000 1.012 464 V CA -0.252 61.757 62.300 -0.485 0.000 0.832 464 V CB 0.808 32.497 31.823 -0.223 0.000 1.028 464 V HN 0.603 nan 8.190 nan 0.000 0.436 465 W N 3.747 125.091 121.300 0.074 0.000 2.737 465 W HA 0.405 5.063 4.660 -0.003 0.000 0.262 465 W C 0.232 176.817 176.519 0.110 0.000 1.282 465 W CA -0.179 57.220 57.345 0.089 0.000 1.386 465 W CB 0.701 30.195 29.460 0.056 0.000 1.099 465 W HN 0.431 nan 8.180 nan 0.000 0.621 466 L N 0.457 121.855 121.223 0.291 0.000 2.752 466 L HA 0.353 4.691 4.340 -0.003 0.000 0.257 466 L C -0.923 176.105 176.870 0.263 0.000 0.968 466 L CA -1.104 53.901 54.840 0.274 0.000 0.953 466 L CB 0.416 42.583 42.059 0.181 0.000 1.286 466 L HN -0.295 nan 8.230 nan 0.000 0.443 467 V N 6.953 127.072 119.914 0.342 0.000 2.470 467 V HA 0.333 4.452 4.120 -0.003 0.000 0.276 467 V C -1.721 174.652 176.094 0.465 0.000 1.040 467 V CA -1.096 61.394 62.300 0.316 0.000 1.008 467 V CB 0.709 32.702 31.823 0.283 0.000 0.990 467 V HN 0.654 nan 8.190 nan 0.000 0.477 468 P HA 0.012 nan 4.420 nan 0.000 0.267 468 P C -0.037 177.501 177.300 0.397 0.000 1.201 468 P CA 0.166 63.512 63.100 0.410 0.000 0.775 468 P CB 0.400 32.239 31.700 0.231 0.000 0.854 469 S N 1.436 117.293 115.700 0.263 0.000 2.533 469 S HA 0.084 4.553 4.470 -0.003 0.000 0.282 469 S C 1.456 176.088 174.600 0.053 0.000 1.304 469 S CA -0.427 57.806 58.200 0.056 0.000 1.063 469 S CB -0.490 62.524 63.200 -0.311 0.000 0.881 469 S HN 0.305 nan 8.310 nan 0.000 0.493 470 L N 4.303 125.559 121.223 0.055 0.000 2.349 470 L HA -0.080 4.259 4.340 -0.003 0.000 0.220 470 L C 2.242 179.099 176.870 -0.022 0.000 1.130 470 L CA 0.884 55.740 54.840 0.026 0.000 0.791 470 L CB -0.340 41.739 42.059 0.034 0.000 0.918 470 L HN 0.592 nan 8.230 nan 0.000 0.444 471 S N -1.262 114.405 115.700 -0.055 0.000 2.503 471 S HA 0.361 4.829 4.470 -0.003 0.000 0.217 471 S C 0.742 175.093 174.600 -0.414 0.000 0.999 471 S CA 0.506 58.626 58.200 -0.132 0.000 0.914 471 S CB 0.729 63.929 63.200 0.001 0.000 0.782 471 S HN 0.605 nan 8.310 nan 0.000 0.520 472 G N 0.477 109.060 108.800 -0.361 0.000 2.356 472 G HA2 0.161 4.119 3.960 -0.003 0.000 0.288 472 G HA3 0.161 4.119 3.960 -0.003 0.000 0.288 472 G C -1.393 173.484 174.900 -0.040 0.000 1.302 472 G CA -0.381 44.478 45.100 -0.402 0.000 0.887 472 G HN -0.006 nan 8.290 nan 0.000 0.521 473 D N -0.069 120.388 120.400 0.096 0.000 2.417 473 D HA 0.119 4.758 4.640 -0.003 0.000 0.207 473 D C 0.553 177.055 176.300 0.337 0.000 1.075 473 D CA 0.424 54.576 54.000 0.253 0.000 0.851 473 D CB 0.493 41.362 40.800 0.115 0.000 0.976 473 D HN 0.543 nan 8.370 nan 0.000 0.505 474 D N -0.239 120.411 120.400 0.417 0.000 2.387 474 D HA 0.209 4.847 4.640 -0.003 0.000 0.251 474 D C 1.106 177.600 176.300 0.323 0.000 1.141 474 D CA -0.387 53.793 54.000 0.300 0.000 0.987 474 D CB 1.969 42.901 40.800 0.220 0.000 1.116 474 D HN -0.120 nan 8.370 nan 0.000 0.491 475 A N 1.684 124.587 122.820 0.138 0.000 1.940 475 A HA -0.137 4.181 4.320 -0.003 0.000 0.219 475 A C 2.295 179.923 177.584 0.072 0.000 1.176 475 A CA 1.506 53.611 52.037 0.113 0.000 0.631 475 A CB -0.931 18.064 19.000 -0.008 0.000 0.814 475 A HN 0.460 nan 8.150 nan 0.000 0.446 476 V N 0.315 120.174 119.914 -0.092 0.000 2.568 476 V HA -0.230 3.888 4.120 -0.003 0.000 0.253 476 V C 2.017 177.993 176.094 -0.197 0.000 1.072 476 V CA 2.185 64.360 62.300 -0.208 0.000 1.084 476 V CB -1.016 30.610 31.823 -0.328 0.000 0.676 476 V HN 0.738 nan 8.190 nan 0.000 0.469 477 H N -2.046 116.977 119.070 -0.080 0.000 2.555 477 H HA 0.017 4.571 4.556 -0.003 0.000 0.269 477 H C 0.884 175.844 175.328 -0.613 0.000 0.988 477 H CA 1.002 56.896 56.048 -0.257 0.000 1.178 477 H CB 0.040 29.694 29.762 -0.180 0.000 1.373 477 H HN 0.604 nan 8.280 nan 0.000 0.588 478 Y N 0.130 120.378 120.300 -0.086 0.000 2.636 478 Y HA 0.196 4.744 4.550 -0.003 0.000 0.260 478 Y C 1.590 177.359 175.900 -0.218 0.000 1.177 478 Y CA -0.308 57.665 58.100 -0.210 0.000 1.209 478 Y CB 0.525 38.769 38.460 -0.360 0.000 1.166 478 Y HN -0.074 nan 8.280 nan 0.000 0.531 479 K N -0.258 119.945 120.400 -0.329 0.000 2.486 479 K HA 0.052 4.370 4.320 -0.003 0.000 0.194 479 K C -0.205 175.796 176.600 -0.998 0.000 1.033 479 K CA 0.897 56.783 56.287 -0.667 0.000 1.004 479 K CB 0.038 32.002 32.500 -0.894 0.000 0.798 479 K HN 0.248 nan 8.250 nan 0.000 0.495 480 F N -0.935 118.920 119.950 -0.157 0.000 2.735 480 F HA 0.181 4.706 4.527 -0.003 0.000 0.308 480 F C -0.199 175.456 175.800 -0.241 0.000 1.112 480 F CA -0.735 57.112 58.000 -0.255 0.000 1.235 480 F CB 0.020 39.031 39.000 0.019 0.000 1.027 480 F HN -0.103 nan 8.300 nan 0.000 0.528 481 H N 0.434 119.374 119.070 -0.216 0.000 2.908 481 H HA 0.263 4.817 4.556 -0.003 0.000 0.269 481 H C -0.532 174.684 175.328 -0.188 0.000 1.303 481 H CA -0.749 55.257 56.048 -0.070 0.000 1.341 481 H CB -0.402 29.427 29.762 0.111 0.000 1.519 481 H HN -0.055 nan 8.280 nan 0.000 0.505 482 F N 1.833 121.811 119.950 0.046 0.000 2.456 482 F HA 0.054 4.580 4.527 -0.003 0.000 0.358 482 F C 1.151 176.961 175.800 0.015 0.000 1.095 482 F CA -0.163 57.846 58.000 0.015 0.000 1.216 482 F CB 0.859 39.833 39.000 -0.044 0.000 1.125 482 F HN 0.289 nan 8.300 nan 0.000 0.549 483 V N 0.319 120.342 119.914 0.181 0.000 2.908 483 V HA 0.020 4.139 4.120 -0.003 0.000 0.240 483 V C 0.075 176.240 176.094 0.118 0.000 1.117 483 V CA 0.812 63.194 62.300 0.138 0.000 1.133 483 V CB 0.100 31.984 31.823 0.103 0.000 0.857 483 V HN 0.670 nan 8.190 nan 0.000 0.478 484 D N 0.036 120.513 120.400 0.128 0.000 2.454 484 D HA 0.301 4.940 4.640 -0.003 0.000 0.247 484 D C 0.803 177.150 176.300 0.078 0.000 1.129 484 D CA -0.173 53.875 54.000 0.080 0.000 0.877 484 D CB 1.653 42.499 40.800 0.077 0.000 1.082 484 D HN 0.058 nan 8.370 nan 0.000 0.537 485 L N 2.550 123.743 121.223 -0.050 0.000 2.012 485 L HA -0.197 4.142 4.340 -0.003 0.000 0.210 485 L C 2.532 179.325 176.870 -0.129 0.000 1.073 485 L CA 1.320 56.054 54.840 -0.177 0.000 0.748 485 L CB -0.205 41.614 42.059 -0.399 0.000 0.891 485 L HN 0.485 nan 8.230 nan 0.000 0.431 486 Q N -0.298 119.445 119.800 -0.095 0.000 2.119 486 Q HA -0.148 4.191 4.340 -0.003 0.000 0.201 486 Q C 2.019 178.010 176.000 -0.014 0.000 0.972 486 Q CA 0.974 56.730 55.803 -0.078 0.000 0.847 486 Q CB 0.210 28.909 28.738 -0.064 0.000 0.903 486 Q HN 0.282 nan 8.270 nan 0.000 0.433 487 R N 0.851 121.388 120.500 0.062 0.000 2.323 487 R HA -0.017 4.321 4.340 -0.003 0.000 0.198 487 R C -0.221 176.248 176.300 0.282 0.000 0.988 487 R CA 0.432 56.638 56.100 0.177 0.000 1.041 487 R CB -0.295 30.094 30.300 0.148 0.000 0.926 487 R HN 0.299 nan 8.270 nan 0.000 0.476 488 D N 1.376 121.914 120.400 0.229 0.000 2.751 488 D HA -0.150 4.488 4.640 -0.003 0.000 0.233 488 D C -0.549 175.978 176.300 0.378 0.000 1.149 488 D CA 1.082 55.303 54.000 0.369 0.000 0.682 488 D CB -0.393 40.642 40.800 0.392 0.000 1.068 488 D HN 0.170 nan 8.370 nan 0.000 0.429 489 Q N -0.317 119.658 119.800 0.291 0.000 2.274 489 Q HA 0.606 4.944 4.340 -0.003 0.000 0.260 489 Q C 0.825 176.868 176.000 0.072 0.000 0.974 489 Q CA -0.286 55.600 55.803 0.138 0.000 0.876 489 Q CB 2.096 30.895 28.738 0.103 0.000 1.297 489 Q HN 0.368 nan 8.270 nan 0.000 0.446 490 T N -3.454 111.054 114.554 -0.076 0.000 2.858 490 T HA 0.432 4.780 4.350 -0.003 0.000 0.285 490 T C 1.123 175.782 174.700 -0.069 0.000 1.052 490 T CA -0.677 61.318 62.100 -0.176 0.000 1.009 490 T CB 0.505 69.132 68.868 -0.402 0.000 1.241 490 T HN 0.127 nan 8.240 nan 0.000 0.542 491 V N 1.121 121.019 119.914 -0.027 0.000 2.469 491 V HA -0.093 4.025 4.120 -0.003 0.000 0.251 491 V C 3.113 179.166 176.094 -0.068 0.000 1.064 491 V CA 2.388 64.668 62.300 -0.033 0.000 1.066 491 V CB -1.587 30.218 31.823 -0.029 0.000 0.667 491 V HN 1.042 nan 8.190 nan 0.000 0.461 492 A N -0.034 122.749 122.820 -0.062 0.000 1.933 492 A HA -0.248 4.070 4.320 -0.003 0.000 0.218 492 A C 2.018 179.560 177.584 -0.070 0.000 1.175 492 A CA 1.978 53.972 52.037 -0.071 0.000 0.628 492 A CB -0.509 18.422 19.000 -0.116 0.000 0.814 492 A HN 0.588 nan 8.150 nan 0.000 0.444 493 D N -0.169 120.194 120.400 -0.062 0.000 2.144 493 D HA -0.082 4.557 4.640 -0.003 0.000 0.200 493 D C 2.070 178.367 176.300 -0.006 0.000 0.978 493 D CA 1.360 55.354 54.000 -0.011 0.000 0.833 493 D CB -0.373 40.430 40.800 0.005 0.000 0.961 493 D HN 0.252 nan 8.370 nan 0.000 0.470 494 V N 1.633 121.527 119.914 -0.033 0.000 2.332 494 V HA -0.230 3.889 4.120 -0.003 0.000 0.248 494 V C 2.675 178.706 176.094 -0.106 0.000 1.055 494 V CA 1.201 63.466 62.300 -0.058 0.000 1.038 494 V CB -0.505 31.286 31.823 -0.054 0.000 0.651 494 V HN 0.177 nan 8.190 nan 0.000 0.450 495 L N -0.493 120.665 121.223 -0.108 0.000 2.131 495 L HA -0.159 4.179 4.340 -0.003 0.000 0.210 495 L C 2.699 179.490 176.870 -0.133 0.000 1.092 495 L CA 1.549 56.315 54.840 -0.124 0.000 0.759 495 L CB -0.529 41.458 42.059 -0.119 0.000 0.903 495 L HN 0.268 nan 8.230 nan 0.000 0.435 496 R N 0.190 120.622 120.500 -0.114 0.000 2.092 496 R HA -0.135 4.203 4.340 -0.003 0.000 0.231 496 R C 2.312 178.403 176.300 -0.348 0.000 1.119 496 R CA 1.240 57.265 56.100 -0.124 0.000 0.970 496 R CB -0.125 30.183 30.300 0.013 0.000 0.864 496 R HN 0.326 nan 8.270 nan 0.000 0.440 497 A N 0.285 122.816 122.820 -0.482 0.000 1.873 497 A HA -0.145 4.173 4.320 -0.003 0.000 0.215 497 A C 2.197 179.498 177.584 -0.472 0.000 1.186 497 A CA 1.951 53.472 52.037 -0.860 0.000 0.616 497 A CB -0.989 17.677 19.000 -0.557 0.000 0.823 497 A HN 0.605 nan 8.150 nan 0.000 0.442 498 T N -2.610 111.778 114.554 -0.276 0.000 2.867 498 T HA 0.025 4.374 4.350 -0.003 0.000 0.268 498 T C 1.849 176.447 174.700 -0.170 0.000 1.057 498 T CA 1.484 63.471 62.100 -0.188 0.000 1.136 498 T CB -0.813 67.972 68.868 -0.139 0.000 0.874 498 T HN 0.416 nan 8.240 nan 0.000 0.466 499 G N 1.102 109.796 108.800 -0.176 0.000 2.443 499 G HA2 0.139 4.098 3.960 -0.003 0.000 0.219 499 G HA3 0.139 4.098 3.960 -0.003 0.000 0.219 499 G C 1.683 176.497 174.900 -0.142 0.000 1.131 499 G CA 0.476 45.494 45.100 -0.136 0.000 0.775 499 G HN 0.747 nan 8.290 nan 0.000 0.547 500 A N -0.531 122.161 122.820 -0.214 0.000 2.235 500 A HA 0.472 4.791 4.320 -0.003 0.000 0.208 500 A C 1.954 179.448 177.584 -0.150 0.000 1.172 500 A CA 1.375 53.302 52.037 -0.183 0.000 0.786 500 A CB -0.324 18.527 19.000 -0.249 0.000 0.804 500 A HN 1.511 nan 8.150 nan 0.000 0.479 501 G N -2.179 106.534 108.800 -0.146 0.000 2.192 501 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.193 501 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.193 501 G C 0.139 174.974 174.900 -0.107 0.000 0.999 501 G CA 0.062 45.096 45.100 -0.110 0.000 0.659 501 G HN 0.325 nan 8.290 nan 0.000 0.503 502 M N 0.275 119.787 119.600 -0.147 0.000 2.249 502 M HA 0.559 5.037 4.480 -0.003 0.000 0.351 502 M C 1.182 177.461 176.300 -0.036 0.000 1.180 502 M CA 0.269 55.520 55.300 -0.081 0.000 1.127 502 M CB 1.551 34.066 32.600 -0.142 0.000 1.546 502 M HN 0.186 nan 8.290 nan 0.000 0.461 503 Q N 0.161 119.980 119.800 0.032 0.000 2.313 503 Q HA 0.154 4.492 4.340 -0.003 0.000 0.263 503 Q C 0.312 176.304 176.000 -0.013 0.000 0.820 503 Q CA -0.108 55.688 55.803 -0.011 0.000 0.974 503 Q CB 1.083 29.807 28.738 -0.023 0.000 1.156 503 Q HN 0.766 nan 8.270 nan 0.000 0.517 504 S N 0.067 115.772 115.700 0.008 0.000 2.560 504 S HA 0.026 4.494 4.470 -0.003 0.000 0.284 504 S C 1.253 175.818 174.600 -0.058 0.000 1.327 504 S CA -0.289 57.867 58.200 -0.073 0.000 1.055 504 S CB 1.247 64.319 63.200 -0.213 0.000 0.868 504 S HN 0.219 nan 8.310 nan 0.000 0.506 505 V N 4.599 124.467 119.914 -0.077 0.000 2.469 505 V HA -0.087 4.031 4.120 -0.003 0.000 0.251 505 V C 2.204 178.261 176.094 -0.061 0.000 1.064 505 V CA 2.200 64.460 62.300 -0.068 0.000 1.066 505 V CB -0.710 31.061 31.823 -0.087 0.000 0.667 505 V HN 0.923 nan 8.190 nan 0.000 0.461 506 E N -0.663 119.478 120.200 -0.098 0.000 2.106 506 E HA -0.210 4.138 4.350 -0.003 0.000 0.192 506 E C 1.952 178.544 176.600 -0.012 0.000 0.984 506 E CA 1.757 58.101 56.400 -0.094 0.000 0.806 506 E CB -0.373 29.232 29.700 -0.158 0.000 0.750 506 E HN 0.822 nan 8.360 nan 0.000 0.458 507 H N -0.114 118.944 119.070 -0.020 0.000 2.363 507 H HA -0.050 4.504 4.556 -0.003 0.000 0.301 507 H C 1.992 177.331 175.328 0.019 0.000 1.074 507 H CA 0.557 56.605 56.048 0.001 0.000 1.354 507 H CB 0.254 30.005 29.762 -0.018 0.000 1.397 507 H HN 0.044 nan 8.280 nan 0.000 0.516 508 I N 1.404 122.045 120.570 0.120 0.000 2.226 508 I HA -0.252 3.916 4.170 -0.003 0.000 0.245 508 I C 2.358 178.523 176.117 0.081 0.000 1.100 508 I CA 1.322 62.659 61.300 0.060 0.000 1.374 508 I CB -0.978 37.022 38.000 -0.000 0.000 1.057 508 I HN 0.244 nan 8.210 nan 0.000 0.413 509 K N 1.173 121.603 120.400 0.049 0.000 2.032 509 K HA -0.186 4.132 4.320 -0.003 0.000 0.209 509 K C 2.305 178.939 176.600 0.056 0.000 1.048 509 K CA 1.695 58.001 56.287 0.031 0.000 0.927 509 K CB -0.065 32.429 32.500 -0.010 0.000 0.712 509 K HN 0.203 nan 8.250 nan 0.000 0.441 510 R N -1.100 119.449 120.500 0.081 0.000 2.119 510 R HA -0.078 4.260 4.340 -0.003 0.000 0.222 510 R C 2.294 178.644 176.300 0.083 0.000 1.088 510 R CA 1.189 57.333 56.100 0.073 0.000 0.984 510 R CB -0.322 30.027 30.300 0.082 0.000 0.884 510 R HN 0.327 nan 8.270 nan 0.000 0.447 511 Y N 1.419 121.717 120.300 -0.004 0.000 2.200 511 Y HA -0.233 4.316 4.550 -0.003 0.000 0.290 511 Y C 2.523 178.402 175.900 -0.035 0.000 1.137 511 Y CA 1.960 60.042 58.100 -0.029 0.000 1.163 511 Y CB 0.083 38.520 38.460 -0.039 0.000 0.988 511 Y HN 0.088 nan 8.280 nan 0.000 0.518 512 T N -3.580 111.094 114.554 0.200 0.000 3.044 512 T HA 0.037 4.385 4.350 -0.003 0.000 0.255 512 T C 1.258 175.978 174.700 0.033 0.000 1.073 512 T CA 0.779 62.950 62.100 0.119 0.000 1.125 512 T CB -0.428 68.507 68.868 0.111 0.000 0.908 512 T HN 0.616 nan 8.240 nan 0.000 0.480 513 S N -0.028 115.691 115.700 0.032 0.000 2.931 513 S HA -0.157 4.311 4.470 -0.003 0.000 0.271 513 S C 0.033 174.656 174.600 0.039 0.000 1.309 513 S CA 0.273 58.488 58.200 0.025 0.000 1.181 513 S CB -2.934 60.274 63.200 0.013 0.000 1.435 513 S HN 0.693 nan 8.310 nan 0.000 0.670 514 I N 3.015 123.610 120.570 0.043 0.000 2.683 514 I HA 0.260 4.428 4.170 -0.003 0.000 0.286 514 I C 1.485 177.615 176.117 0.023 0.000 1.175 514 I CA 1.329 62.654 61.300 0.042 0.000 1.429 514 I CB 0.695 38.720 38.000 0.042 0.000 1.371 514 I HN 1.225 nan 8.210 nan 0.000 0.569 515 S N 2.295 118.010 115.700 0.026 0.000 3.171 515 S HA -0.202 4.266 4.470 -0.003 0.000 0.279 515 S C 0.802 175.406 174.600 0.006 0.000 1.294 515 S CA 0.981 59.188 58.200 0.011 0.000 1.077 515 S CB -2.267 60.924 63.200 -0.015 0.000 1.298 515 S HN 0.940 nan 8.310 nan 0.000 0.666 516 T N -1.584 112.980 114.554 0.017 0.000 3.105 516 T HA 0.743 5.092 4.350 -0.003 0.000 0.253 516 T C 0.861 175.575 174.700 0.023 0.000 1.047 516 T CA 0.562 62.673 62.100 0.017 0.000 0.944 516 T CB 0.502 69.382 68.868 0.020 0.000 1.016 516 T HN 1.410 nan 8.240 nan 0.000 0.544 517 A N 2.501 125.335 122.820 0.022 0.000 2.275 517 A HA 0.486 4.805 4.320 -0.003 0.000 0.282 517 A C 1.400 178.985 177.584 0.002 0.000 1.275 517 A CA -0.154 51.891 52.037 0.014 0.000 0.842 517 A CB -0.081 18.924 19.000 0.009 0.000 1.280 517 A HN 0.559 nan 8.150 nan 0.000 0.508 518 N N -1.214 117.479 118.700 -0.012 0.000 2.550 518 N HA -0.137 4.601 4.740 -0.003 0.000 0.186 518 N C 0.357 175.850 175.510 -0.028 0.000 1.110 518 N CA 1.333 54.371 53.050 -0.020 0.000 0.912 518 N CB -0.044 38.426 38.487 -0.028 0.000 0.968 518 N HN 0.607 nan 8.380 nan 0.000 0.448 519 D N -0.919 119.468 120.400 -0.022 0.000 2.349 519 D HA -0.073 4.566 4.640 -0.003 0.000 0.214 519 D C -0.089 176.214 176.300 0.004 0.000 1.063 519 D CA 0.045 54.030 54.000 -0.025 0.000 0.847 519 D CB -0.277 40.511 40.800 -0.020 0.000 0.933 519 D HN 0.072 nan 8.370 nan 0.000 0.513 520 Q N 0.114 119.924 119.800 0.017 0.000 2.439 520 Q HA -0.174 4.165 4.340 -0.003 0.000 0.325 520 Q C 1.086 177.130 176.000 0.073 0.000 1.372 520 Q CA 1.094 56.922 55.803 0.041 0.000 0.909 520 Q CB -2.286 26.487 28.738 0.059 0.000 1.167 520 Q HN 0.760 nan 8.270 nan 0.000 0.418 521 G N -0.640 108.196 108.800 0.061 0.000 2.162 521 G HA2 -0.392 3.566 3.960 -0.003 0.000 0.260 521 G HA3 -0.392 3.566 3.960 -0.003 0.000 0.260 521 G C 0.931 175.925 174.900 0.157 0.000 0.976 521 G CA 0.785 45.930 45.100 0.075 0.000 0.655 521 G HN 0.452 nan 8.290 nan 0.000 0.533 522 K N -0.336 120.173 120.400 0.181 0.000 2.147 522 K HA -0.052 4.266 4.320 -0.003 0.000 0.205 522 K C 2.645 179.386 176.600 0.235 0.000 1.049 522 K CA 1.968 58.414 56.287 0.264 0.000 0.936 522 K CB -0.138 32.439 32.500 0.129 0.000 0.722 522 K HN 0.652 nan 8.250 nan 0.000 0.446 523 T N -3.348 111.303 114.554 0.162 0.000 2.971 523 T HA 0.042 4.390 4.350 -0.003 0.000 0.252 523 T C 1.754 176.556 174.700 0.169 0.000 1.022 523 T CA 0.380 62.590 62.100 0.184 0.000 0.980 523 T CB 0.354 69.338 68.868 0.194 0.000 1.044 523 T HN 0.106 nan 8.240 nan 0.000 0.501 524 S N 0.598 116.376 115.700 0.131 0.000 2.492 524 S HA 0.344 4.812 4.470 -0.003 0.000 0.218 524 S C 2.203 176.875 174.600 0.119 0.000 1.016 524 S CA 0.479 58.747 58.200 0.114 0.000 0.916 524 S CB -0.565 62.678 63.200 0.073 0.000 0.791 524 S HN 0.503 nan 8.310 nan 0.000 0.513 525 G N 1.904 110.777 108.800 0.121 0.000 2.404 525 G HA2 -0.054 3.904 3.960 -0.003 0.000 0.214 525 G HA3 -0.054 3.904 3.960 -0.003 0.000 0.214 525 G C 1.356 176.327 174.900 0.118 0.000 1.189 525 G CA 1.082 46.227 45.100 0.074 0.000 0.789 525 G HN 0.436 nan 8.290 nan 0.000 0.533 526 V N 1.551 121.595 119.914 0.216 0.000 2.488 526 V HA -0.003 4.115 4.120 -0.003 0.000 0.246 526 V C 3.297 179.549 176.094 0.263 0.000 1.046 526 V CA 1.572 64.047 62.300 0.293 0.000 1.053 526 V CB -0.689 31.404 31.823 0.449 0.000 0.679 526 V HN 0.456 nan 8.190 nan 0.000 0.458 527 A N 0.522 123.516 122.820 0.290 0.000 1.927 527 A HA -0.263 4.055 4.320 -0.003 0.000 0.220 527 A C 2.412 180.110 177.584 0.190 0.000 1.185 527 A CA 2.556 54.771 52.037 0.298 0.000 0.639 527 A CB -0.789 18.360 19.000 0.247 0.000 0.820 527 A HN 0.595 nan 8.150 nan 0.000 0.451 528 A N -0.402 122.488 122.820 0.117 0.000 1.897 528 A HA -0.001 4.317 4.320 -0.003 0.000 0.215 528 A C 2.103 179.684 177.584 -0.005 0.000 1.181 528 A CA 1.341 53.411 52.037 0.055 0.000 0.620 528 A CB -0.569 18.453 19.000 0.036 0.000 0.821 528 A HN 0.500 nan 8.150 nan 0.000 0.443 529 I N -0.082 120.474 120.570 -0.023 0.000 2.208 529 I HA -0.247 3.922 4.170 -0.003 0.000 0.245 529 I C 2.643 178.594 176.117 -0.277 0.000 1.097 529 I CA 1.233 62.465 61.300 -0.113 0.000 1.363 529 I CB -0.527 37.450 38.000 -0.038 0.000 1.051 529 I HN 0.403 nan 8.210 nan 0.000 0.413 530 G N 0.152 108.751 108.800 -0.334 0.000 2.408 530 G HA2 -0.151 3.807 3.960 -0.003 0.000 0.217 530 G HA3 -0.151 3.807 3.960 -0.003 0.000 0.217 530 G C 1.699 176.510 174.900 -0.148 0.000 1.150 530 G CA 0.715 45.468 45.100 -0.578 0.000 0.776 530 G HN 0.246 nan 8.290 nan 0.000 0.542 531 V N 1.063 120.973 119.914 -0.006 0.000 2.379 531 V HA -0.082 4.036 4.120 -0.003 0.000 0.245 531 V C 2.774 178.832 176.094 -0.061 0.000 1.044 531 V CA 1.262 63.571 62.300 0.016 0.000 1.036 531 V CB -0.319 31.528 31.823 0.040 0.000 0.664 531 V HN 0.379 nan 8.190 nan 0.000 0.453 532 I N 0.576 121.093 120.570 -0.088 0.000 2.163 532 I HA -0.275 3.893 4.170 -0.003 0.000 0.243 532 I C 2.693 178.734 176.117 -0.126 0.000 1.085 532 I CA 1.609 62.847 61.300 -0.103 0.000 1.347 532 I CB -0.633 37.307 38.000 -0.101 0.000 1.044 532 I HN 0.296 nan 8.210 nan 0.000 0.408 533 A N 0.796 123.509 122.820 -0.178 0.000 1.883 533 A HA -0.208 4.110 4.320 -0.003 0.000 0.217 533 A C 2.560 180.070 177.584 -0.123 0.000 1.186 533 A CA 2.083 54.003 52.037 -0.195 0.000 0.624 533 A CB -0.969 17.832 19.000 -0.333 0.000 0.822 533 A HN 0.443 nan 8.150 nan 0.000 0.444 534 A N -0.960 121.810 122.820 -0.084 0.000 1.902 534 A HA -0.016 4.303 4.320 -0.003 0.000 0.217 534 A C 2.255 179.801 177.584 -0.064 0.000 1.181 534 A CA 1.875 53.895 52.037 -0.028 0.000 0.623 534 A CB -0.889 18.131 19.000 0.032 0.000 0.818 534 A HN 0.423 nan 8.150 nan 0.000 0.443 535 V N -0.290 119.570 119.914 -0.090 0.000 2.591 535 V HA -0.083 4.035 4.120 -0.003 0.000 0.249 535 V C 2.108 178.146 176.094 -0.094 0.000 1.053 535 V CA 1.505 63.738 62.300 -0.112 0.000 1.068 535 V CB -0.321 31.425 31.823 -0.129 0.000 0.689 535 V HN 0.554 nan 8.190 nan 0.000 0.462 536 L N 0.139 121.309 121.223 -0.088 0.000 2.592 536 L HA 0.330 4.668 4.340 -0.003 0.000 0.227 536 L C 1.536 178.366 176.870 -0.067 0.000 1.127 536 L CA 0.691 55.485 54.840 -0.078 0.000 0.884 536 L CB -0.466 41.544 42.059 -0.081 0.000 1.065 536 L HN 0.492 nan 8.230 nan 0.000 0.457 537 G N 1.524 110.285 108.800 -0.064 0.000 2.295 537 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.287 537 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.287 537 G C 0.024 174.890 174.900 -0.056 0.000 1.055 537 G CA -0.143 44.928 45.100 -0.049 0.000 0.922 537 G HN 0.150 nan 8.290 nan 0.000 0.503 538 I N 0.177 120.700 120.570 -0.079 0.000 2.440 538 I HA 0.295 4.463 4.170 -0.003 0.000 0.294 538 I C 1.262 177.319 176.117 -0.101 0.000 0.995 538 I CA -0.949 60.294 61.300 -0.095 0.000 1.306 538 I CB 1.271 39.196 38.000 -0.125 0.000 1.407 538 I HN 0.209 nan 8.210 nan 0.000 0.501 539 E N 3.444 123.593 120.200 -0.086 0.000 2.075 539 E HA -0.044 4.305 4.350 -0.003 0.000 0.190 539 E C 0.571 177.093 176.600 -0.130 0.000 0.969 539 E CA 0.509 56.869 56.400 -0.066 0.000 0.815 539 E CB 0.226 29.909 29.700 -0.029 0.000 0.776 539 E HN 0.568 nan 8.360 nan 0.000 0.457 540 N N 1.890 120.484 118.700 -0.178 0.000 2.558 540 N HA 0.072 4.810 4.740 -0.003 0.000 0.233 540 N C -2.140 173.098 175.510 -0.453 0.000 1.038 540 N CA -1.811 51.065 53.050 -0.291 0.000 0.934 540 N CB 1.273 39.661 38.487 -0.166 0.000 1.175 540 N HN -0.280 nan 8.380 nan 0.000 0.512 541 P HA -0.271 nan 4.420 nan 0.000 0.220 541 P C 0.940 177.918 177.300 -0.537 0.000 1.155 541 P CA 1.496 64.046 63.100 -0.917 0.000 0.880 541 P CB 0.194 30.756 31.700 -1.896 0.000 0.790 542 A N -1.020 121.481 122.820 -0.531 0.000 2.076 542 A HA -0.277 4.041 4.320 -0.003 0.000 0.220 542 A C 2.284 179.870 177.584 0.003 0.000 1.160 542 A CA 1.576 53.608 52.037 -0.009 0.000 0.653 542 A CB -1.155 17.898 19.000 0.087 0.000 0.801 542 A HN 0.254 nan 8.150 nan 0.000 0.455 543 Q N -0.790 118.948 119.800 -0.103 0.000 2.119 543 Q HA -0.113 4.226 4.340 -0.003 0.000 0.201 543 Q C 1.782 177.743 176.000 -0.065 0.000 0.972 543 Q CA 1.162 56.922 55.803 -0.072 0.000 0.847 543 Q CB -0.105 28.574 28.738 -0.098 0.000 0.903 543 Q HN 0.648 nan 8.270 nan 0.000 0.433 544 I N -0.353 120.162 120.570 -0.093 0.000 2.233 544 I HA -0.023 4.145 4.170 -0.003 0.000 0.243 544 I C 1.504 177.593 176.117 -0.046 0.000 1.093 544 I CA 1.657 62.907 61.300 -0.083 0.000 1.380 544 I CB -1.746 36.182 38.000 -0.120 0.000 1.067 544 I HN 0.321 nan 8.210 nan 0.000 0.413 545 G N 1.036 109.848 108.800 0.020 0.000 2.782 545 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.228 545 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.228 545 G C 0.098 174.894 174.900 -0.173 0.000 1.372 545 G CA -0.036 45.048 45.100 -0.025 0.000 0.862 545 G HN 0.595 nan 8.290 nan 0.000 0.547 546 T N -2.450 111.923 114.554 -0.302 0.000 2.952 546 T HA 0.810 5.158 4.350 -0.003 0.000 0.286 546 T C 0.801 175.351 174.700 -0.250 0.000 1.024 546 T CA 0.552 62.450 62.100 -0.337 0.000 1.029 546 T CB 1.572 70.200 68.868 -0.400 0.000 1.094 546 T HN 1.999 nan 8.240 nan 0.000 0.515 547 T N -0.364 114.010 114.554 -0.300 0.000 2.849 547 T HA 0.380 4.728 4.350 -0.003 0.000 0.284 547 T C 0.338 174.827 174.700 -0.352 0.000 1.004 547 T CA -0.757 61.181 62.100 -0.270 0.000 1.021 547 T CB -0.093 68.632 68.868 -0.237 0.000 1.013 547 T HN 0.731 nan 8.240 nan 0.000 0.527 548 T N 2.292 116.722 114.554 -0.208 0.000 2.905 548 T HA 0.151 4.500 4.350 -0.003 0.000 0.299 548 T C -0.252 174.327 174.700 -0.202 0.000 1.024 548 T CA 0.246 62.273 62.100 -0.123 0.000 1.151 548 T CB -0.554 68.283 68.868 -0.050 0.000 0.987 548 T HN 0.431 nan 8.240 nan 0.000 0.535 549 F N 3.250 123.168 119.950 -0.053 0.000 2.411 549 F HA 0.424 4.949 4.527 -0.003 0.000 0.350 549 F C 1.256 177.070 175.800 0.024 0.000 1.114 549 F CA -0.657 57.326 58.000 -0.028 0.000 1.135 549 F CB 0.802 39.767 39.000 -0.057 0.000 1.120 549 F HN 0.166 nan 8.300 nan 0.000 0.495 550 R N 2.001 122.623 120.500 0.203 0.000 2.740 550 R HA 0.667 5.006 4.340 -0.003 0.000 0.282 550 R C -0.533 175.894 176.300 0.212 0.000 0.969 550 R CA -1.173 55.027 56.100 0.167 0.000 0.918 550 R CB 1.858 32.225 30.300 0.112 0.000 1.175 550 R HN 0.702 nan 8.270 nan 0.000 0.464 551 A N 4.108 127.047 122.820 0.198 0.000 2.445 551 A HA 0.373 4.691 4.320 -0.003 0.000 0.242 551 A C -1.718 176.010 177.584 0.240 0.000 1.075 551 A CA -0.741 51.455 52.037 0.266 0.000 0.777 551 A CB -0.388 18.792 19.000 0.300 0.000 1.013 551 A HN 0.444 nan 8.150 nan 0.000 0.493 552 P HA 0.165 nan 4.420 nan 0.000 0.284 552 P C 0.128 177.595 177.300 0.278 0.000 1.258 552 P CA -0.369 62.912 63.100 0.302 0.000 0.824 552 P CB 0.732 32.433 31.700 0.001 0.000 1.038 553 Y N 2.470 122.913 120.300 0.239 0.000 2.114 553 Y HA -0.163 4.385 4.550 -0.003 0.000 0.282 553 Y C 0.941 176.913 175.900 0.121 0.000 1.165 553 Y CA 2.275 60.478 58.100 0.171 0.000 1.148 553 Y CB -0.455 38.075 38.460 0.117 0.000 0.972 553 Y HN 0.488 nan 8.280 nan 0.000 0.504 554 T N -2.342 112.170 114.554 -0.070 0.000 2.896 554 T HA 0.559 4.907 4.350 -0.003 0.000 0.297 554 T C -2.908 171.749 174.700 -0.071 0.000 1.108 554 T CA -2.250 59.757 62.100 -0.156 0.000 1.004 554 T CB 2.198 70.969 68.868 -0.162 0.000 1.159 554 T HN -0.200 nan 8.240 nan 0.000 0.499 555 P HA 0.456 nan 4.420 nan 0.000 0.272 555 P C -1.085 176.143 177.300 -0.119 0.000 1.223 555 P CA -0.527 62.527 63.100 -0.078 0.000 0.784 555 P CB 0.565 32.239 31.700 -0.044 0.000 0.923 556 V N 1.328 121.143 119.914 -0.165 0.000 2.588 556 V HA 0.326 4.444 4.120 -0.003 0.000 0.304 556 V C 0.210 176.270 176.094 -0.057 0.000 1.042 556 V CA -0.775 61.411 62.300 -0.190 0.000 0.877 556 V CB 1.756 33.293 31.823 -0.477 0.000 0.996 556 V HN 0.670 nan 8.190 nan 0.000 0.425 557 S N 3.487 119.164 115.700 -0.038 0.000 2.572 557 S HA 0.252 4.720 4.470 -0.003 0.000 0.279 557 S C 0.871 175.524 174.600 0.088 0.000 1.341 557 S CA -0.144 58.054 58.200 -0.004 0.000 1.043 557 S CB 0.265 63.412 63.200 -0.088 0.000 0.887 557 S HN 0.421 nan 8.310 nan 0.000 0.516 558 F N 1.790 121.648 119.950 -0.152 0.000 2.126 558 F HA -0.034 4.491 4.527 -0.003 0.000 0.299 558 F C 2.710 178.397 175.800 -0.189 0.000 1.096 558 F CA 0.853 58.774 58.000 -0.132 0.000 1.255 558 F CB -1.588 37.357 39.000 -0.092 0.000 0.997 558 F HN 0.807 nan 8.300 nan 0.000 0.479 559 A N -0.296 122.457 122.820 -0.112 0.000 1.929 559 A HA 0.067 4.385 4.320 -0.003 0.000 0.216 559 A C 2.460 179.662 177.584 -0.637 0.000 1.176 559 A CA 1.455 53.273 52.037 -0.365 0.000 0.628 559 A CB -1.138 17.560 19.000 -0.503 0.000 0.816 559 A HN 0.272 nan 8.150 nan 0.000 0.444 560 A N 0.081 122.455 122.820 -0.743 0.000 1.877 560 A HA -0.071 4.247 4.320 -0.003 0.000 0.216 560 A C 2.124 179.751 177.584 0.072 0.000 1.186 560 A CA 1.529 53.382 52.037 -0.306 0.000 0.620 560 A CB -0.635 18.309 19.000 -0.094 0.000 0.822 560 A HN 0.476 nan 8.150 nan 0.000 0.443 561 L N -0.916 120.327 121.223 0.033 0.000 2.141 561 L HA -0.161 4.177 4.340 -0.003 0.000 0.209 561 L C 2.986 179.996 176.870 0.234 0.000 1.094 561 L CA 0.929 55.860 54.840 0.152 0.000 0.763 561 L CB -0.539 41.532 42.059 0.022 0.000 0.908 561 L HN 0.442 nan 8.230 nan 0.000 0.437 562 A N -0.156 122.704 122.820 0.066 0.000 2.014 562 A HA 0.172 4.490 4.320 -0.003 0.000 0.218 562 A C 1.769 179.294 177.584 -0.098 0.000 1.163 562 A CA 1.091 53.127 52.037 -0.001 0.000 0.652 562 A CB -0.712 18.273 19.000 -0.026 0.000 0.808 562 A HN 0.494 nan 8.150 nan 0.000 0.449 563 G N -0.497 108.277 108.800 -0.044 0.000 2.611 563 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.301 563 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.301 563 G C 0.598 175.388 174.900 -0.184 0.000 1.233 563 G CA 0.398 45.382 45.100 -0.194 0.000 0.993 563 G HN 0.418 nan 8.290 nan 0.000 0.553 564 R N 0.943 121.288 120.500 -0.258 0.000 2.388 564 R HA 0.212 4.550 4.340 -0.003 0.000 0.247 564 R C 1.026 177.240 176.300 -0.143 0.000 0.931 564 R CA 0.652 56.626 56.100 -0.209 0.000 1.082 564 R CB -0.585 29.593 30.300 -0.203 0.000 1.135 564 R HN 0.401 nan 8.270 nan 0.000 0.525 565 T N 2.685 117.154 114.554 -0.143 0.000 4.313 565 T HA 0.232 4.581 4.350 -0.003 0.000 0.272 565 T C 0.224 174.885 174.700 -0.066 0.000 1.298 565 T CA 0.023 62.065 62.100 -0.097 0.000 1.124 565 T CB 0.032 68.842 68.868 -0.097 0.000 1.352 565 T HN -0.159 nan 8.240 nan 0.000 1.013 566 R N 0.399 120.865 120.500 -0.056 0.000 2.774 566 R HA 0.703 5.041 4.340 -0.003 0.000 0.272 566 R C 0.882 177.168 176.300 -0.023 0.000 1.000 566 R CA -0.220 55.861 56.100 -0.032 0.000 0.906 566 R CB 1.315 31.598 30.300 -0.028 0.000 1.227 566 R HN 0.536 nan 8.270 nan 0.000 0.468 567 G N 1.750 110.544 108.800 -0.009 0.000 2.611 567 G HA2 -0.357 3.602 3.960 -0.003 0.000 0.301 567 G HA3 -0.357 3.602 3.960 -0.003 0.000 0.301 567 G C 0.582 175.473 174.900 -0.016 0.000 1.233 567 G CA 0.535 45.632 45.100 -0.005 0.000 0.993 567 G HN 0.542 nan 8.290 nan 0.000 0.553 568 E N 0.550 120.739 120.200 -0.018 0.000 2.285 568 E HA 0.092 4.440 4.350 -0.003 0.000 0.194 568 E C 2.683 179.258 176.600 -0.041 0.000 0.997 568 E CA 0.673 57.055 56.400 -0.030 0.000 0.845 568 E CB -0.153 29.529 29.700 -0.031 0.000 0.782 568 E HN 0.540 nan 8.360 nan 0.000 0.491 569 L N 0.704 121.904 121.223 -0.039 0.000 2.610 569 L HA -0.050 4.289 4.340 -0.003 0.000 0.232 569 L C 2.157 178.995 176.870 -0.053 0.000 1.149 569 L CA -0.132 54.679 54.840 -0.049 0.000 0.872 569 L CB -0.331 41.700 42.059 -0.047 0.000 0.992 569 L HN 0.102 nan 8.230 nan 0.000 0.447 570 L N -0.204 120.992 121.223 -0.046 0.000 2.079 570 L HA -0.066 4.273 4.340 -0.003 0.000 0.210 570 L C 0.250 177.090 176.870 -0.050 0.000 1.081 570 L CA 1.871 56.685 54.840 -0.044 0.000 0.752 570 L CB -0.080 41.959 42.059 -0.033 0.000 0.896 570 L HN 0.210 nan 8.230 nan 0.000 0.433 571 D N -1.686 118.680 120.400 -0.056 0.000 2.803 571 D HA 0.337 4.975 4.640 -0.003 0.000 0.218 571 D C -2.749 173.501 176.300 -0.083 0.000 1.245 571 D CA -1.243 52.717 54.000 -0.066 0.000 0.821 571 D CB 1.640 42.405 40.800 -0.058 0.000 1.626 571 D HN -0.113 nan 8.370 nan 0.000 0.487 572 P HA 0.404 nan 4.420 nan 0.000 0.272 572 P C -1.266 175.946 177.300 -0.146 0.000 1.223 572 P CA -0.559 62.465 63.100 -0.127 0.000 0.784 572 P CB 0.847 32.456 31.700 -0.152 0.000 0.923 573 A N 3.577 126.306 122.820 -0.153 0.000 2.256 573 A HA 0.417 4.735 4.320 -0.003 0.000 0.317 573 A C 0.256 177.709 177.584 -0.219 0.000 1.318 573 A CA -0.765 51.172 52.037 -0.166 0.000 0.894 573 A CB 0.271 19.179 19.000 -0.153 0.000 1.165 573 A HN 0.428 nan 8.150 nan 0.000 0.525 574 R N 1.830 122.165 120.500 -0.275 0.000 2.357 574 R HA 0.586 4.924 4.340 -0.003 0.000 0.296 574 R C -0.995 175.243 176.300 -0.104 0.000 1.052 574 R CA -0.164 55.707 56.100 -0.381 0.000 0.988 574 R CB 0.915 30.605 30.300 -1.018 0.000 1.025 574 R HN 0.642 nan 8.270 nan 0.000 0.469 575 L N 2.148 123.335 121.223 -0.060 0.000 2.341 575 L HA 0.407 4.745 4.340 -0.003 0.000 0.278 575 L C 0.740 177.776 176.870 0.278 0.000 1.005 575 L CA -0.974 53.867 54.840 0.001 0.000 0.818 575 L CB 1.943 43.849 42.059 -0.255 0.000 1.259 575 L HN 0.748 nan 8.230 nan 0.000 0.418 576 T N -0.947 113.814 114.554 0.345 0.000 2.754 576 T HA 0.338 4.687 4.350 -0.003 0.000 0.286 576 T C 1.277 176.088 174.700 0.184 0.000 0.997 576 T CA 0.010 62.267 62.100 0.261 0.000 0.982 576 T CB 1.462 70.411 68.868 0.134 0.000 1.027 576 T HN 0.641 nan 8.240 nan 0.000 0.529 577 A N 0.482 123.378 122.820 0.127 0.000 2.070 577 A HA 0.012 4.331 4.320 -0.003 0.000 0.220 577 A C 2.062 179.668 177.584 0.037 0.000 1.159 577 A CA 1.273 53.370 52.037 0.100 0.000 0.656 577 A CB -0.939 18.127 19.000 0.110 0.000 0.800 577 A HN 0.745 nan 8.150 nan 0.000 0.453 578 M N -2.003 117.557 119.600 -0.066 0.000 2.495 578 M HA 0.153 4.631 4.480 -0.003 0.000 0.237 578 M C 1.438 177.519 176.300 -0.365 0.000 1.131 578 M CA 0.597 55.675 55.300 -0.369 0.000 1.032 578 M CB -0.716 31.360 32.600 -0.872 0.000 1.513 578 M HN 0.565 nan 8.290 nan 0.000 0.488 579 H N 1.495 120.529 119.070 -0.060 0.000 2.321 579 H HA -0.134 4.420 4.556 -0.003 0.000 0.295 579 H C -0.904 174.485 175.328 0.102 0.000 1.102 579 H CA 2.613 58.733 56.048 0.120 0.000 1.266 579 H CB -1.005 28.826 29.762 0.114 0.000 1.363 579 H HN 0.152 nan 8.280 nan 0.000 0.492 580 P HA -0.158 nan 4.420 nan 0.000 0.218 580 P C 1.042 178.395 177.300 0.088 0.000 1.148 580 P CA 1.519 64.669 63.100 0.084 0.000 0.822 580 P CB -0.318 31.447 31.700 0.109 0.000 0.784 581 W N -0.039 121.168 121.300 -0.156 0.000 2.409 581 W HA -0.127 4.531 4.660 -0.003 0.000 0.299 581 W C 2.318 178.835 176.519 -0.004 0.000 1.203 581 W CA 1.475 58.769 57.345 -0.085 0.000 1.298 581 W CB -0.772 28.531 29.460 -0.261 0.000 1.127 581 W HN 0.089 nan 8.180 nan 0.000 0.528 582 H N -0.243 119.032 119.070 0.342 0.000 2.352 582 H HA -0.227 4.327 4.556 -0.003 0.000 0.299 582 H C 2.272 177.659 175.328 0.098 0.000 1.097 582 H CA 2.018 58.217 56.048 0.251 0.000 1.311 582 H CB -0.548 29.276 29.762 0.104 0.000 1.377 582 H HN 0.148 nan 8.280 nan 0.000 0.504 583 L N 0.183 121.514 121.223 0.179 0.000 1.994 583 L HA -0.185 4.153 4.340 -0.003 0.000 0.208 583 L C 2.736 179.622 176.870 0.027 0.000 1.071 583 L CA 0.949 55.863 54.840 0.123 0.000 0.745 583 L CB -0.463 41.622 42.059 0.044 0.000 0.892 583 L HN 0.357 nan 8.230 nan 0.000 0.431 584 A N -1.908 120.893 122.820 -0.031 0.000 2.172 584 A HA -0.163 4.155 4.320 -0.003 0.000 0.216 584 A C 1.644 178.997 177.584 -0.385 0.000 1.154 584 A CA 1.042 52.975 52.037 -0.173 0.000 0.701 584 A CB -0.589 18.301 19.000 -0.184 0.000 0.789 584 A HN 0.501 nan 8.150 nan 0.000 0.465 585 H N -1.538 117.351 119.070 -0.302 0.000 2.528 585 H HA 0.277 4.831 4.556 -0.003 0.000 0.282 585 H C 1.360 176.654 175.328 -0.056 0.000 1.097 585 H CA 0.365 56.227 56.048 -0.310 0.000 1.121 585 H CB 0.264 29.569 29.762 -0.761 0.000 1.590 585 H HN 0.595 nan 8.280 nan 0.000 0.553 586 G N 1.462 110.254 108.800 -0.013 0.000 2.147 586 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.244 586 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.244 586 G C 0.534 175.350 174.900 -0.141 0.000 1.005 586 G CA 0.199 45.277 45.100 -0.037 0.000 0.713 586 G HN 0.617 nan 8.290 nan 0.000 0.515 587 A N -0.134 122.511 122.820 -0.291 0.000 2.498 587 A HA 0.522 4.840 4.320 -0.003 0.000 0.239 587 A C 0.747 177.847 177.584 -0.807 0.000 1.068 587 A CA 0.417 51.953 52.037 -0.834 0.000 0.766 587 A CB 0.421 18.626 19.000 -1.325 0.000 1.003 587 A HN 0.262 nan 8.150 nan 0.000 0.497 588 K N 1.499 121.380 120.400 -0.866 0.000 2.172 588 K HA 0.516 4.834 4.320 -0.003 0.000 0.276 588 K C -1.082 175.159 176.600 -0.598 0.000 1.013 588 K CA 0.102 56.013 56.287 -0.628 0.000 0.913 588 K CB 0.804 32.777 32.500 -0.878 0.000 1.055 588 K HN 0.517 nan 8.250 nan 0.000 0.461 589 F N 0.760 120.696 119.950 -0.023 0.000 2.483 589 F HA 0.283 4.809 4.527 -0.003 0.000 0.329 589 F C 0.778 176.602 175.800 0.040 0.000 1.064 589 F CA -0.799 57.211 58.000 0.016 0.000 0.986 589 F CB 1.521 40.538 39.000 0.028 0.000 1.218 589 F HN 0.465 nan 8.300 nan 0.000 0.484 590 E N -0.533 119.743 120.200 0.126 0.000 2.312 590 E HA 0.390 4.738 4.350 -0.003 0.000 0.267 590 E C -1.890 174.696 176.600 -0.022 0.000 0.894 590 E CA -1.083 55.231 56.400 -0.144 0.000 0.773 590 E CB 1.563 30.888 29.700 -0.625 0.000 1.241 590 E HN 0.296 nan 8.360 nan 0.000 0.432 591 D N 1.787 122.153 120.400 -0.057 0.000 2.325 591 D HA 0.169 4.807 4.640 -0.003 0.000 0.251 591 D C -0.681 175.627 176.300 0.013 0.000 1.196 591 D CA -0.116 53.886 54.000 0.003 0.000 0.866 591 D CB 1.512 42.304 40.800 -0.013 0.000 1.101 591 D HN 0.172 nan 8.370 nan 0.000 0.476 592 V N 3.014 122.983 119.914 0.091 0.000 2.304 592 V HA 0.430 4.549 4.120 -0.003 0.000 0.278 592 V C 1.267 177.473 176.094 0.185 0.000 1.018 592 V CA -0.252 62.120 62.300 0.120 0.000 0.814 592 V CB 0.765 32.659 31.823 0.117 0.000 1.021 592 V HN 0.856 nan 8.190 nan 0.000 0.440 593 G N 5.031 113.900 108.800 0.116 0.000 2.685 593 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.329 593 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.329 593 G C 0.701 175.627 174.900 0.043 0.000 1.271 593 G CA 1.110 46.259 45.100 0.082 0.000 1.003 593 G HN 0.633 nan 8.290 nan 0.000 0.549 594 Q N -0.333 119.455 119.800 -0.020 0.000 2.403 594 Q HA 0.202 4.540 4.340 -0.003 0.000 0.203 594 Q C 0.293 176.230 176.000 -0.106 0.000 0.932 594 Q CA -0.073 55.663 55.803 -0.111 0.000 0.945 594 Q CB 0.358 28.966 28.738 -0.217 0.000 1.045 594 Q HN 0.500 nan 8.270 nan 0.000 0.511 595 W N 1.623 122.904 121.300 -0.031 0.000 2.376 595 W HA 0.231 4.889 4.660 -0.003 0.000 0.322 595 W C 0.256 176.759 176.519 -0.026 0.000 1.160 595 W CA -0.782 56.544 57.345 -0.031 0.000 1.218 595 W CB 0.844 30.303 29.460 -0.002 0.000 1.205 595 W HN -0.341 nan 8.180 nan 0.000 0.559 596 K N 4.377 124.928 120.400 0.252 0.000 2.262 596 K HA 0.375 4.693 4.320 -0.003 0.000 0.282 596 K C -0.127 176.668 176.600 0.325 0.000 1.066 596 K CA -0.433 55.961 56.287 0.178 0.000 0.901 596 K CB 1.035 33.497 32.500 -0.063 0.000 1.089 596 K HN 0.478 nan 8.250 nan 0.000 0.476 597 R N 2.782 123.467 120.500 0.308 0.000 2.740 597 R HA 0.383 4.721 4.340 -0.003 0.000 0.282 597 R C -2.517 173.887 176.300 0.173 0.000 0.969 597 R CA -2.171 54.047 56.100 0.196 0.000 0.918 597 R CB 1.617 31.947 30.300 0.050 0.000 1.175 597 R HN 0.255 nan 8.270 nan 0.000 0.464 598 P HA -0.066 nan 4.420 nan 0.000 0.267 598 P C -0.413 176.785 177.300 -0.170 0.000 1.209 598 P CA -0.022 62.767 63.100 -0.518 0.000 0.763 598 P CB 0.448 31.662 31.700 -0.810 0.000 0.816 599 W N 6.183 127.244 121.300 -0.398 0.000 2.574 599 W HA 0.101 4.759 4.660 -0.003 0.000 0.282 599 W C -0.206 176.323 176.519 0.017 0.000 1.197 599 W CA 1.104 58.362 57.345 -0.144 0.000 1.376 599 W CB -0.127 29.281 29.460 -0.087 0.000 1.091 599 W HN 0.449 nan 8.180 nan 0.000 0.569 600 Y N -3.817 116.384 120.300 -0.164 0.000 2.702 600 Y HA 0.408 4.956 4.550 -0.003 0.000 0.336 600 Y C -2.194 173.578 175.900 -0.213 0.000 1.203 600 Y CA -2.343 55.683 58.100 -0.123 0.000 1.072 600 Y CB -0.066 38.266 38.460 -0.213 0.000 1.327 600 Y HN -0.149 nan 8.280 nan 0.000 0.456 601 Y N 2.777 123.140 120.300 0.104 0.000 2.805 601 Y HA 0.495 5.043 4.550 -0.003 0.000 0.339 601 Y C -2.646 173.336 175.900 0.137 0.000 1.012 601 Y CA -2.605 55.523 58.100 0.047 0.000 1.262 601 Y CB 1.110 39.654 38.460 0.139 0.000 1.100 601 Y HN 0.327 nan 8.280 nan 0.000 0.559 602 P HA 0.158 nan 4.420 nan 0.000 0.275 602 P C -0.900 176.492 177.300 0.154 0.000 1.228 602 P CA -0.246 62.991 63.100 0.228 0.000 0.786 602 P CB 1.559 33.398 31.700 0.233 0.000 0.927 603 Q N 0.310 120.188 119.800 0.131 0.000 2.387 603 Q HA 0.293 4.632 4.340 -0.003 0.000 0.273 603 Q C -0.484 175.559 176.000 0.071 0.000 1.089 603 Q CA -0.749 55.114 55.803 0.098 0.000 0.824 603 Q CB 1.263 30.063 28.738 0.103 0.000 1.367 603 Q HN 0.394 nan 8.270 nan 0.000 0.443 604 D N 0.600 121.031 120.400 0.052 0.000 2.723 604 D HA -0.184 4.454 4.640 -0.003 0.000 0.236 604 D C 0.569 176.890 176.300 0.035 0.000 1.138 604 D CA 1.448 55.472 54.000 0.039 0.000 0.676 604 D CB -1.408 39.415 40.800 0.038 0.000 1.069 604 D HN 1.089 nan 8.370 nan 0.000 0.430 605 G N -0.002 108.820 108.800 0.037 0.000 2.187 605 G HA2 -0.391 3.567 3.960 -0.003 0.000 0.261 605 G HA3 -0.391 3.567 3.960 -0.003 0.000 0.261 605 G C 0.215 175.135 174.900 0.033 0.000 1.000 605 G CA 0.828 45.948 45.100 0.033 0.000 0.718 605 G HN 0.579 nan 8.290 nan 0.000 0.519 606 E N 0.877 121.103 120.200 0.043 0.000 2.442 606 E HA 0.342 4.690 4.350 -0.003 0.000 0.262 606 E C 1.314 177.928 176.600 0.023 0.000 1.004 606 E CA 0.494 56.914 56.400 0.033 0.000 0.928 606 E CB 0.457 30.188 29.700 0.051 0.000 0.937 606 E HN 0.605 nan 8.360 nan 0.000 0.446 607 S N 2.800 118.489 115.700 -0.019 0.000 2.600 607 S HA -0.013 4.456 4.470 -0.003 0.000 0.265 607 S C 1.154 175.661 174.600 -0.155 0.000 1.325 607 S CA -0.565 57.600 58.200 -0.058 0.000 1.002 607 S CB 0.986 64.142 63.200 -0.074 0.000 0.921 607 S HN 0.773 nan 8.310 nan 0.000 0.554 608 M N 0.624 120.037 119.600 -0.312 0.000 2.082 608 M HA -0.205 4.274 4.480 -0.003 0.000 0.258 608 M C 1.018 176.987 176.300 -0.553 0.000 1.069 608 M CA 2.312 57.111 55.300 -0.835 0.000 1.102 608 M CB -0.713 31.238 32.600 -1.081 0.000 1.336 608 M HN 0.760 nan 8.290 nan 0.000 0.404 609 D N 0.456 120.673 120.400 -0.304 0.000 2.123 609 D HA -0.179 4.459 4.640 -0.003 0.000 0.196 609 D C 1.853 178.101 176.300 -0.087 0.000 0.992 609 D CA 1.783 55.683 54.000 -0.166 0.000 0.833 609 D CB -0.356 40.380 40.800 -0.106 0.000 0.954 609 D HN 0.614 nan 8.370 nan 0.000 0.455 610 E N 0.558 120.706 120.200 -0.087 0.000 2.072 610 E HA -0.034 4.315 4.350 -0.003 0.000 0.190 610 E C 2.149 178.765 176.600 0.027 0.000 0.982 610 E CA 0.846 57.230 56.400 -0.026 0.000 0.803 610 E CB -0.032 29.648 29.700 -0.033 0.000 0.755 610 E HN 0.181 nan 8.360 nan 0.000 0.453 611 A N 0.986 123.795 122.820 -0.019 0.000 1.865 611 A HA -0.169 4.149 4.320 -0.003 0.000 0.217 611 A C 2.503 180.113 177.584 0.043 0.000 1.191 611 A CA 1.394 53.457 52.037 0.043 0.000 0.623 611 A CB -0.780 18.284 19.000 0.107 0.000 0.826 611 A HN 0.131 nan 8.150 nan 0.000 0.444 612 V N -1.646 118.234 119.914 -0.056 0.000 2.427 612 V HA -0.241 3.878 4.120 -0.003 0.000 0.248 612 V C 2.294 178.401 176.094 0.022 0.000 1.051 612 V CA 1.921 64.204 62.300 -0.029 0.000 1.048 612 V CB -0.979 30.771 31.823 -0.123 0.000 0.666 612 V HN 0.689 nan 8.190 nan 0.000 0.456 613 Y N 1.267 121.531 120.300 -0.060 0.000 2.114 613 Y HA -0.285 4.264 4.550 -0.003 0.000 0.284 613 Y C 2.858 178.735 175.900 -0.037 0.000 1.143 613 Y CA 2.383 60.457 58.100 -0.044 0.000 1.135 613 Y CB -0.194 38.243 38.460 -0.038 0.000 0.980 613 Y HN 0.066 nan 8.280 nan 0.000 0.499 614 R N 0.481 121.090 120.500 0.182 0.000 2.103 614 R HA -0.233 4.105 4.340 -0.003 0.000 0.242 614 R C 2.031 178.335 176.300 0.007 0.000 1.142 614 R CA 2.280 58.438 56.100 0.097 0.000 0.960 614 R CB -0.332 30.035 30.300 0.112 0.000 0.858 614 R HN 0.504 nan 8.270 nan 0.000 0.439 615 E N -0.386 119.823 120.200 0.015 0.000 2.072 615 E HA -0.175 4.174 4.350 -0.003 0.000 0.191 615 E C 2.186 178.696 176.600 -0.149 0.000 0.985 615 E CA 1.519 57.914 56.400 -0.007 0.000 0.801 615 E CB -0.032 29.722 29.700 0.090 0.000 0.750 615 E HN 0.479 nan 8.360 nan 0.000 0.452 616 C N 0.982 120.164 119.300 -0.197 0.000 2.425 616 C HA -0.091 4.367 4.460 -0.003 0.000 0.277 616 C C 2.518 177.327 174.990 -0.303 0.000 1.280 616 C CA 0.453 59.296 59.018 -0.293 0.000 1.744 616 C CB -0.665 26.890 27.740 -0.308 0.000 1.989 616 C HN 0.382 nan 8.230 nan 0.000 0.491 617 K N 1.447 121.674 120.400 -0.289 0.000 2.002 617 K HA -0.118 4.200 4.320 -0.003 0.000 0.209 617 K C 2.237 178.745 176.600 -0.154 0.000 1.048 617 K CA 1.606 57.747 56.287 -0.243 0.000 0.930 617 K CB -0.363 32.010 32.500 -0.211 0.000 0.714 617 K HN 0.389 nan 8.250 nan 0.000 0.438 618 A N 0.816 123.571 122.820 -0.108 0.000 1.908 618 A HA -0.152 4.166 4.320 -0.003 0.000 0.218 618 A C 2.256 179.788 177.584 -0.086 0.000 1.181 618 A CA 1.940 53.940 52.037 -0.062 0.000 0.627 618 A CB -0.977 18.014 19.000 -0.015 0.000 0.818 618 A HN 0.355 nan 8.150 nan 0.000 0.445 619 V N -0.794 119.026 119.914 -0.156 0.000 2.427 619 V HA -0.190 3.928 4.120 -0.003 0.000 0.248 619 V C 2.175 178.193 176.094 -0.126 0.000 1.051 619 V CA 2.197 64.400 62.300 -0.161 0.000 1.048 619 V CB -0.756 30.882 31.823 -0.308 0.000 0.666 619 V HN 0.567 nan 8.190 nan 0.000 0.456 620 R N -0.099 120.309 120.500 -0.153 0.000 2.115 620 R HA -0.056 4.282 4.340 -0.003 0.000 0.226 620 R C 2.086 178.345 176.300 -0.067 0.000 1.100 620 R CA 1.540 57.574 56.100 -0.111 0.000 0.980 620 R CB -0.468 29.733 30.300 -0.165 0.000 0.875 620 R HN 0.526 nan 8.270 nan 0.000 0.445 621 D N -0.251 120.107 120.400 -0.070 0.000 2.117 621 D HA -0.088 4.551 4.640 -0.003 0.000 0.198 621 D C 1.535 177.818 176.300 -0.029 0.000 0.982 621 D CA 1.373 55.349 54.000 -0.040 0.000 0.828 621 D CB 0.169 40.949 40.800 -0.032 0.000 0.967 621 D HN 0.060 nan 8.370 nan 0.000 0.464 622 S N -2.010 113.672 115.700 -0.031 0.000 4.848 622 S HA 0.362 4.830 4.470 -0.003 0.000 0.151 622 S C -0.804 173.773 174.600 -0.039 0.000 1.055 622 S CA -0.118 58.067 58.200 -0.024 0.000 1.208 622 S CB 0.329 63.548 63.200 0.032 0.000 2.035 622 S HN -0.048 nan 8.310 nan 0.000 0.792 623 V N 0.671 120.583 119.914 -0.003 0.000 3.120 623 V HA 0.806 4.925 4.120 -0.003 0.000 0.303 623 V C -0.552 175.567 176.094 0.040 0.000 1.238 623 V CA 0.413 62.717 62.300 0.007 0.000 1.008 623 V CB 1.425 33.245 31.823 -0.005 0.000 1.064 623 V HN 0.956 nan 8.190 nan 0.000 0.434 624 G N 4.448 113.300 108.800 0.087 0.000 2.680 624 G HA2 0.793 4.751 3.960 -0.003 0.000 0.290 624 G HA3 0.793 4.751 3.960 -0.003 0.000 0.290 624 G C -1.169 173.867 174.900 0.228 0.000 1.355 624 G CA -0.729 44.489 45.100 0.198 0.000 0.903 624 G HN 1.214 nan 8.290 nan 0.000 0.474 625 M N -0.228 119.464 119.600 0.153 0.000 2.457 625 M HA 0.847 5.325 4.480 -0.003 0.000 0.300 625 M C -1.958 174.238 176.300 -0.172 0.000 1.141 625 M CA -1.083 54.151 55.300 -0.109 0.000 0.901 625 M CB 2.563 34.855 32.600 -0.512 0.000 1.687 625 M HN 0.507 nan 8.290 nan 0.000 0.449 626 L N 2.029 123.180 121.223 -0.120 0.000 2.436 626 L HA 0.549 4.887 4.340 -0.003 0.000 0.268 626 L C -1.350 175.681 176.870 0.268 0.000 0.974 626 L CA 0.050 54.801 54.840 -0.147 0.000 0.826 626 L CB 2.032 43.726 42.059 -0.609 0.000 1.291 626 L HN 0.808 nan 8.230 nan 0.000 0.406 627 D N 4.161 124.714 120.400 0.255 0.000 2.359 627 D HA 0.349 4.987 4.640 -0.003 0.000 0.250 627 D C 0.311 176.600 176.300 -0.019 0.000 1.264 627 D CA 0.519 54.561 54.000 0.069 0.000 0.911 627 D CB 1.292 42.006 40.800 -0.143 0.000 1.056 627 D HN 0.691 nan 8.370 nan 0.000 0.499 628 A N 2.888 125.710 122.820 0.003 0.000 2.507 628 A HA 0.134 4.452 4.320 -0.003 0.000 0.270 628 A C 1.717 179.242 177.584 -0.098 0.000 1.318 628 A CA -0.341 51.663 52.037 -0.055 0.000 0.924 628 A CB 0.088 19.074 19.000 -0.023 0.000 1.061 628 A HN 0.418 nan 8.150 nan 0.000 0.516 629 S N 0.026 115.653 115.700 -0.121 0.000 2.507 629 S HA -0.110 4.358 4.470 -0.003 0.000 0.235 629 S C 1.935 176.354 174.600 -0.303 0.000 0.988 629 S CA 1.619 59.737 58.200 -0.137 0.000 0.944 629 S CB -0.350 62.794 63.200 -0.093 0.000 0.762 629 S HN 0.872 nan 8.310 nan 0.000 0.526 630 T N -0.002 114.241 114.554 -0.519 0.000 3.100 630 T HA 0.268 4.617 4.350 -0.003 0.000 0.253 630 T C 0.539 175.014 174.700 -0.375 0.000 1.118 630 T CA -0.174 61.384 62.100 -0.902 0.000 1.058 630 T CB -0.520 67.480 68.868 -1.447 0.000 0.953 630 T HN 0.194 nan 8.240 nan 0.000 0.515 631 L N 2.206 123.319 121.223 -0.183 0.000 2.525 631 L HA 0.347 4.685 4.340 -0.003 0.000 0.278 631 L C 1.330 178.212 176.870 0.019 0.000 1.218 631 L CA -0.362 54.447 54.840 -0.053 0.000 0.878 631 L CB -0.033 42.027 42.059 0.001 0.000 1.127 631 L HN 0.335 nan 8.230 nan 0.000 0.492 632 G N 3.153 111.977 108.800 0.041 0.000 2.441 632 G HA2 0.307 4.265 3.960 -0.003 0.000 0.243 632 G HA3 0.307 4.265 3.960 -0.003 0.000 0.243 632 G C -0.489 174.420 174.900 0.015 0.000 1.281 632 G CA -0.432 44.698 45.100 0.050 0.000 0.854 632 G HN 0.645 nan 8.290 nan 0.000 0.560 633 K N 1.345 121.736 120.400 -0.015 0.000 2.507 633 K HA 0.486 4.805 4.320 -0.003 0.000 0.251 633 K C -1.109 175.445 176.600 -0.077 0.000 0.943 633 K CA -0.520 55.700 56.287 -0.112 0.000 0.794 633 K CB 2.575 35.016 32.500 -0.098 0.000 1.188 633 K HN 0.366 nan 8.250 nan 0.000 0.428 634 I N 1.797 122.309 120.570 -0.098 0.000 2.512 634 I HA 0.226 4.395 4.170 -0.003 0.000 0.287 634 I C -0.701 175.398 176.117 -0.031 0.000 1.069 634 I CA -0.660 60.620 61.300 -0.034 0.000 1.056 634 I CB 2.277 40.282 38.000 0.007 0.000 1.229 634 I HN 0.577 nan 8.210 nan 0.000 0.429 635 E N 6.559 126.754 120.200 -0.008 0.000 2.197 635 E HA 0.628 4.976 4.350 -0.003 0.000 0.281 635 E C -1.262 175.372 176.600 0.058 0.000 0.995 635 E CA -0.533 55.875 56.400 0.013 0.000 0.808 635 E CB 1.534 31.231 29.700 -0.004 0.000 1.093 635 E HN 0.447 nan 8.360 nan 0.000 0.394 636 I N 4.334 124.969 120.570 0.108 0.000 2.466 636 I HA 0.433 4.601 4.170 -0.003 0.000 0.289 636 I C -0.397 175.826 176.117 0.177 0.000 1.026 636 I CA -0.672 60.718 61.300 0.150 0.000 1.078 636 I CB 1.852 39.969 38.000 0.195 0.000 1.249 636 I HN 0.381 nan 8.210 nan 0.000 0.429 637 R N 4.423 124.998 120.500 0.125 0.000 2.621 637 R HA 0.834 5.172 4.340 -0.003 0.000 0.284 637 R C -0.943 175.410 176.300 0.088 0.000 0.998 637 R CA -0.491 55.673 56.100 0.107 0.000 0.895 637 R CB 2.351 32.688 30.300 0.060 0.000 1.195 637 R HN 0.881 nan 8.270 nan 0.000 0.450 638 G N 1.989 110.848 108.800 0.099 0.000 2.350 638 G HA2 -0.006 3.952 3.960 -0.003 0.000 0.305 638 G HA3 -0.006 3.952 3.960 -0.003 0.000 0.305 638 G C -0.539 174.413 174.900 0.087 0.000 1.479 638 G CA -0.791 44.351 45.100 0.069 0.000 0.949 638 G HN 0.561 nan 8.290 nan 0.000 0.651 639 K N -0.498 119.937 120.400 0.058 0.000 2.160 639 K HA -0.060 4.258 4.320 -0.003 0.000 0.206 639 K C 1.048 177.695 176.600 0.078 0.000 1.047 639 K CA 1.754 58.077 56.287 0.061 0.000 0.930 639 K CB 0.110 32.633 32.500 0.037 0.000 0.720 639 K HN 0.413 nan 8.250 nan 0.000 0.450 640 D N -0.253 120.188 120.400 0.067 0.000 2.342 640 D HA 0.112 4.751 4.640 -0.003 0.000 0.221 640 D C 1.292 177.667 176.300 0.125 0.000 1.101 640 D CA 0.185 54.226 54.000 0.068 0.000 0.837 640 D CB 0.485 41.296 40.800 0.018 0.000 0.938 640 D HN 0.153 nan 8.370 nan 0.000 0.508 641 A N 1.301 124.228 122.820 0.178 0.000 1.883 641 A HA -0.132 4.186 4.320 -0.003 0.000 0.217 641 A C 2.322 179.987 177.584 0.136 0.000 1.186 641 A CA 2.013 54.195 52.037 0.242 0.000 0.624 641 A CB -0.429 18.809 19.000 0.397 0.000 0.822 641 A HN 0.267 nan 8.150 nan 0.000 0.444 642 A N -0.405 122.543 122.820 0.213 0.000 1.898 642 A HA -0.081 4.237 4.320 -0.003 0.000 0.216 642 A C 1.983 179.580 177.584 0.021 0.000 1.181 642 A CA 2.066 54.152 52.037 0.082 0.000 0.620 642 A CB -0.450 18.748 19.000 0.331 0.000 0.819 642 A HN 0.580 nan 8.150 nan 0.000 0.442 643 E N -0.592 119.646 120.200 0.064 0.000 2.072 643 E HA -0.183 4.165 4.350 -0.003 0.000 0.191 643 E C 1.643 178.240 176.600 -0.004 0.000 0.985 643 E CA 1.463 57.874 56.400 0.019 0.000 0.801 643 E CB -0.572 29.132 29.700 0.007 0.000 0.750 643 E HN 0.472 nan 8.360 nan 0.000 0.452 644 F N 0.516 120.387 119.950 -0.133 0.000 2.095 644 F HA -0.144 4.382 4.527 -0.003 0.000 0.298 644 F C 1.772 177.478 175.800 -0.156 0.000 1.104 644 F CA 1.156 59.067 58.000 -0.149 0.000 1.232 644 F CB -0.619 38.339 39.000 -0.069 0.000 0.987 644 F HN 0.139 nan 8.300 nan 0.000 0.475 645 L N 0.806 121.843 121.223 -0.310 0.000 2.079 645 L HA -0.262 4.076 4.340 -0.003 0.000 0.210 645 L C 2.082 178.806 176.870 -0.244 0.000 1.081 645 L CA 1.613 56.192 54.840 -0.435 0.000 0.752 645 L CB -1.610 40.096 42.059 -0.588 0.000 0.896 645 L HN 0.160 nan 8.230 nan 0.000 0.433 646 N N -0.675 117.954 118.700 -0.118 0.000 2.244 646 N HA -0.099 4.639 4.740 -0.003 0.000 0.183 646 N C 1.873 177.359 175.510 -0.040 0.000 1.016 646 N CA 0.820 53.866 53.050 -0.006 0.000 0.866 646 N CB -0.061 38.438 38.487 0.019 0.000 0.980 646 N HN 0.317 nan 8.380 nan 0.000 0.430 647 R N -0.592 119.808 120.500 -0.167 0.000 2.115 647 R HA 0.128 4.466 4.340 -0.003 0.000 0.226 647 R C 1.465 177.647 176.300 -0.197 0.000 1.100 647 R CA 0.813 56.804 56.100 -0.181 0.000 0.980 647 R CB 0.020 30.102 30.300 -0.364 0.000 0.875 647 R HN 0.213 nan 8.270 nan 0.000 0.445 648 M N -0.815 118.552 119.600 -0.388 0.000 2.447 648 M HA 0.084 4.562 4.480 -0.003 0.000 0.266 648 M C 0.275 176.363 176.300 -0.354 0.000 1.120 648 M CA 0.899 55.926 55.300 -0.454 0.000 1.166 648 M CB -0.187 31.959 32.600 -0.757 0.000 1.349 648 M HN -0.099 nan 8.290 nan 0.000 0.463 649 Y N 0.923 121.040 120.300 -0.305 0.000 2.335 649 Y HA 0.110 4.658 4.550 -0.003 0.000 0.323 649 Y C 2.061 177.671 175.900 -0.482 0.000 1.224 649 Y CA -0.042 57.873 58.100 -0.308 0.000 1.241 649 Y CB 0.672 38.972 38.460 -0.266 0.000 1.235 649 Y HN 0.260 nan 8.280 nan 0.000 0.492 650 T N -2.025 112.243 114.554 -0.478 0.000 2.833 650 T HA -0.115 4.233 4.350 -0.003 0.000 0.269 650 T C 0.465 174.772 174.700 -0.655 0.000 1.054 650 T CA 1.129 62.501 62.100 -1.213 0.000 1.135 650 T CB -0.477 67.973 68.868 -0.697 0.000 0.869 650 T HN 0.642 nan 8.240 nan 0.000 0.466 651 N N 1.316 119.891 118.700 -0.208 0.000 2.563 651 N HA 0.512 5.250 4.740 -0.003 0.000 0.288 651 N C -0.017 175.514 175.510 0.035 0.000 1.246 651 N CA -0.682 52.326 53.050 -0.071 0.000 0.946 651 N CB 0.640 39.082 38.487 -0.076 0.000 1.213 651 N HN 0.278 nan 8.380 nan 0.000 0.578 652 G N -1.612 107.161 108.800 -0.045 0.000 2.377 652 G HA2 0.431 4.389 3.960 -0.003 0.000 0.299 652 G HA3 0.431 4.389 3.960 -0.003 0.000 0.299 652 G C -0.952 173.825 174.900 -0.205 0.000 1.150 652 G CA -0.392 44.700 45.100 -0.012 0.000 0.847 652 G HN 0.611 nan 8.290 nan 0.000 0.501 653 Y N -0.094 120.177 120.300 -0.048 0.000 2.499 653 Y HA 0.066 4.614 4.550 -0.003 0.000 0.253 653 Y C 2.781 178.721 175.900 0.067 0.000 1.105 653 Y CA 0.473 58.551 58.100 -0.037 0.000 1.240 653 Y CB 0.826 39.173 38.460 -0.188 0.000 1.289 653 Y HN 0.657 nan 8.280 nan 0.000 0.534 654 T N -1.854 112.790 114.554 0.149 0.000 2.867 654 T HA -0.104 4.244 4.350 -0.003 0.000 0.268 654 T C 1.469 176.243 174.700 0.124 0.000 1.057 654 T CA 1.099 63.288 62.100 0.148 0.000 1.136 654 T CB -0.004 68.923 68.868 0.099 0.000 0.874 654 T HN 0.025 nan 8.240 nan 0.000 0.466 655 K N 0.650 121.094 120.400 0.073 0.000 2.374 655 K HA 0.335 4.653 4.320 -0.003 0.000 0.196 655 K C 0.504 177.128 176.600 0.040 0.000 1.023 655 K CA -0.338 55.976 56.287 0.046 0.000 1.103 655 K CB -0.196 32.315 32.500 0.019 0.000 0.848 655 K HN 0.349 nan 8.250 nan 0.000 0.528 656 L N 2.566 123.826 121.223 0.062 0.000 2.540 656 L HA -0.023 4.315 4.340 -0.003 0.000 0.276 656 L C -0.019 176.899 176.870 0.080 0.000 1.212 656 L CA 0.548 55.426 54.840 0.064 0.000 0.893 656 L CB 0.202 42.335 42.059 0.122 0.000 1.138 656 L HN -0.069 nan 8.230 nan 0.000 0.491 657 K N 3.898 124.320 120.400 0.037 0.000 2.298 657 K HA 0.240 4.558 4.320 -0.003 0.000 0.280 657 K C -0.588 176.015 176.600 0.005 0.000 1.032 657 K CA -0.748 55.544 56.287 0.008 0.000 0.958 657 K CB 0.995 33.483 32.500 -0.020 0.000 0.978 657 K HN 0.489 nan 8.250 nan 0.000 0.472 658 V N 2.463 122.361 119.914 -0.028 0.000 2.644 658 V HA -0.024 4.095 4.120 -0.003 0.000 0.305 658 V C 1.368 177.390 176.094 -0.120 0.000 1.053 658 V CA 1.746 64.019 62.300 -0.045 0.000 1.186 658 V CB 0.298 32.083 31.823 -0.064 0.000 0.895 658 V HN 1.174 nan 8.190 nan 0.000 0.490 659 G N 4.161 112.848 108.800 -0.188 0.000 2.159 659 G HA2 -0.166 3.793 3.960 -0.003 0.000 0.227 659 G HA3 -0.166 3.793 3.960 -0.003 0.000 0.227 659 G C -0.198 174.433 174.900 -0.448 0.000 0.986 659 G CA 0.020 44.653 45.100 -0.777 0.000 0.651 659 G HN 0.453 nan 8.290 nan 0.000 0.523 660 M N 0.035 119.657 119.600 0.036 0.000 2.644 660 M HA 0.700 5.178 4.480 -0.003 0.000 0.304 660 M C 0.520 176.991 176.300 0.286 0.000 1.215 660 M CA -0.301 55.075 55.300 0.127 0.000 0.871 660 M CB 1.564 34.182 32.600 0.031 0.000 1.740 660 M HN 0.417 nan 8.290 nan 0.000 0.464 661 G N 0.695 109.609 108.800 0.190 0.000 2.511 661 G HA2 0.833 4.792 3.960 -0.003 0.000 0.318 661 G HA3 0.833 4.792 3.960 -0.003 0.000 0.318 661 G C -1.403 173.529 174.900 0.053 0.000 1.210 661 G CA -0.601 44.587 45.100 0.148 0.000 0.969 661 G HN 0.670 nan 8.290 nan 0.000 0.484 662 R N -0.263 120.281 120.500 0.074 0.000 2.522 662 R HA 0.345 4.683 4.340 -0.003 0.000 0.283 662 R C -1.796 174.547 176.300 0.072 0.000 1.074 662 R CA -0.834 55.269 56.100 0.004 0.000 0.925 662 R CB 1.631 31.802 30.300 -0.216 0.000 1.205 662 R HN 0.620 nan 8.270 nan 0.000 0.436 663 Y N 2.896 123.182 120.300 -0.024 0.000 2.425 663 Y HA 0.527 5.075 4.550 -0.003 0.000 0.331 663 Y C -0.145 175.756 175.900 0.001 0.000 1.157 663 Y CA 0.988 59.090 58.100 0.003 0.000 1.372 663 Y CB 1.199 39.683 38.460 0.041 0.000 1.253 663 Y HN 0.725 nan 8.280 nan 0.000 0.536 664 G N 3.721 112.039 108.800 -0.803 0.000 2.694 664 G HA2 0.602 4.560 3.960 -0.003 0.000 0.290 664 G HA3 0.602 4.560 3.960 -0.003 0.000 0.290 664 G C -2.209 172.341 174.900 -0.584 0.000 1.386 664 G CA -0.901 43.823 45.100 -0.626 0.000 0.872 664 G HN 0.630 nan 8.290 nan 0.000 0.475 665 V N 0.781 120.592 119.914 -0.171 0.000 2.656 665 V HA 0.545 4.663 4.120 -0.003 0.000 0.307 665 V C -0.136 175.944 176.094 -0.023 0.000 1.051 665 V CA -0.506 61.724 62.300 -0.117 0.000 0.893 665 V CB 1.689 33.435 31.823 -0.128 0.000 0.999 665 V HN 0.729 nan 8.190 nan 0.000 0.426 666 M N 3.807 123.339 119.600 -0.113 0.000 2.238 666 M HA 0.504 4.982 4.480 -0.003 0.000 0.350 666 M C -0.780 175.541 176.300 0.036 0.000 1.138 666 M CA -0.092 55.142 55.300 -0.111 0.000 1.040 666 M CB 1.497 33.986 32.600 -0.185 0.000 1.639 666 M HN 0.551 nan 8.290 nan 0.000 0.451 667 C N 2.205 121.569 119.300 0.107 0.000 2.358 667 C HA 0.548 5.006 4.460 -0.003 0.000 0.354 667 C C 0.676 175.731 174.990 0.109 0.000 1.183 667 C CA -1.192 57.913 59.018 0.145 0.000 2.150 667 C CB 1.282 29.145 27.740 0.205 0.000 2.361 667 C HN 0.703 nan 8.230 nan 0.000 0.535 668 K N 0.969 121.351 120.400 -0.031 0.000 2.118 668 K HA 0.283 4.602 4.320 -0.003 0.000 0.240 668 K C 1.124 177.819 176.600 0.159 0.000 1.035 668 K CA -0.029 56.209 56.287 -0.083 0.000 0.899 668 K CB 0.256 32.593 32.500 -0.272 0.000 1.085 668 K HN 0.773 nan 8.250 nan 0.000 0.498 669 A N 1.176 124.173 122.820 0.295 0.000 2.076 669 A HA -0.179 4.139 4.320 -0.003 0.000 0.220 669 A C 1.167 178.793 177.584 0.070 0.000 1.160 669 A CA 2.059 54.221 52.037 0.209 0.000 0.653 669 A CB -0.562 18.607 19.000 0.280 0.000 0.801 669 A HN 0.755 nan 8.150 nan 0.000 0.455 670 D N -2.020 118.417 120.400 0.062 0.000 2.363 670 D HA 0.240 4.879 4.640 -0.003 0.000 0.226 670 D C 1.200 177.523 176.300 0.040 0.000 1.020 670 D CA 0.889 54.912 54.000 0.038 0.000 0.892 670 D CB -0.735 40.091 40.800 0.042 0.000 0.900 670 D HN 0.741 nan 8.370 nan 0.000 0.531 671 G N -0.320 108.490 108.800 0.015 0.000 2.179 671 G HA2 -0.273 3.686 3.960 -0.003 0.000 0.260 671 G HA3 -0.273 3.686 3.960 -0.003 0.000 0.260 671 G C 0.143 175.204 174.900 0.268 0.000 0.977 671 G CA 0.412 45.543 45.100 0.052 0.000 0.641 671 G HN 0.250 nan 8.290 nan 0.000 0.533 672 M N 0.836 120.536 119.600 0.167 0.000 2.216 672 M HA 0.448 4.926 4.480 -0.003 0.000 0.356 672 M C 1.160 177.550 176.300 0.150 0.000 1.205 672 M CA -1.303 54.094 55.300 0.162 0.000 1.122 672 M CB 0.604 33.269 32.600 0.109 0.000 1.571 672 M HN 0.125 nan 8.290 nan 0.000 0.464 673 I N 3.233 123.894 120.570 0.152 0.000 2.821 673 I HA -0.214 3.954 4.170 -0.003 0.000 0.294 673 I C 0.933 177.135 176.117 0.141 0.000 1.210 673 I CA 0.345 61.720 61.300 0.126 0.000 1.430 673 I CB 0.060 38.121 38.000 0.103 0.000 1.356 673 I HN 0.655 nan 8.210 nan 0.000 0.563 674 F N 5.826 125.720 119.950 -0.093 0.000 2.419 674 F HA 0.279 4.804 4.527 -0.003 0.000 0.283 674 F C 0.523 176.246 175.800 -0.129 0.000 1.044 674 F CA 0.453 58.353 58.000 -0.167 0.000 1.376 674 F CB 0.273 39.059 39.000 -0.356 0.000 1.131 674 F HN 0.517 nan 8.300 nan 0.000 0.585 675 D N -0.956 119.180 120.400 -0.440 0.000 2.665 675 D HA 0.340 4.979 4.640 -0.003 0.000 0.287 675 D C -2.042 174.111 176.300 -0.246 0.000 1.266 675 D CA -0.361 53.361 54.000 -0.463 0.000 0.830 675 D CB 1.836 42.150 40.800 -0.810 0.000 1.356 675 D HN 0.182 nan 8.370 nan 0.000 0.437 676 D N -0.361 119.937 120.400 -0.171 0.000 2.665 676 D HA 0.686 5.324 4.640 -0.003 0.000 0.287 676 D C -0.105 176.144 176.300 -0.085 0.000 1.266 676 D CA -0.356 53.563 54.000 -0.134 0.000 0.830 676 D CB 1.035 41.788 40.800 -0.077 0.000 1.356 676 D HN 0.746 nan 8.370 nan 0.000 0.437 677 G N -1.575 107.150 108.800 -0.125 0.000 2.352 677 G HA2 0.440 4.398 3.960 -0.003 0.000 0.283 677 G HA3 0.440 4.398 3.960 -0.003 0.000 0.283 677 G C -1.910 172.997 174.900 0.012 0.000 1.308 677 G CA -0.255 44.850 45.100 0.007 0.000 0.892 677 G HN 0.754 nan 8.290 nan 0.000 0.504 678 V N 0.427 120.392 119.914 0.085 0.000 2.513 678 V HA 0.732 4.850 4.120 -0.003 0.000 0.299 678 V C 0.063 176.278 176.094 0.200 0.000 1.035 678 V CA -0.393 61.968 62.300 0.102 0.000 0.889 678 V CB 1.675 33.520 31.823 0.036 0.000 0.988 678 V HN 0.847 nan 8.190 nan 0.000 0.440 679 T N 6.103 120.748 114.554 0.151 0.000 2.792 679 T HA 0.583 4.932 4.350 -0.003 0.000 0.280 679 T C -0.346 174.501 174.700 0.245 0.000 0.990 679 T CA -0.326 61.884 62.100 0.183 0.000 0.960 679 T CB 0.843 69.738 68.868 0.044 0.000 0.939 679 T HN 0.347 nan 8.240 nan 0.000 0.439 680 L N 3.108 124.441 121.223 0.184 0.000 2.326 680 L HA 0.524 4.862 4.340 -0.003 0.000 0.278 680 L C 0.816 177.795 176.870 0.182 0.000 1.092 680 L CA -0.800 54.098 54.840 0.096 0.000 0.810 680 L CB 0.874 42.746 42.059 -0.311 0.000 1.153 680 L HN 0.413 nan 8.230 nan 0.000 0.439 681 R N 3.178 123.825 120.500 0.244 0.000 2.205 681 R HA 0.276 4.615 4.340 -0.003 0.000 0.342 681 R C 0.584 176.915 176.300 0.051 0.000 1.058 681 R CA -0.319 55.744 56.100 -0.062 0.000 0.904 681 R CB 0.533 30.772 30.300 -0.102 0.000 1.089 681 R HN 0.750 nan 8.270 nan 0.000 0.471 682 L N 2.829 123.988 121.223 -0.106 0.000 2.209 682 L HA 0.243 4.582 4.340 -0.003 0.000 0.207 682 L C 0.848 177.729 176.870 0.018 0.000 1.094 682 L CA 0.647 55.527 54.840 0.067 0.000 0.790 682 L CB -0.120 41.918 42.059 -0.035 0.000 0.932 682 L HN 0.691 nan 8.230 nan 0.000 0.447 683 A N -1.401 121.334 122.820 -0.143 0.000 2.536 683 A HA 0.251 4.570 4.320 -0.003 0.000 0.293 683 A C 0.522 177.982 177.584 -0.206 0.000 1.119 683 A CA -0.524 51.442 52.037 -0.118 0.000 0.654 683 A CB 0.712 19.672 19.000 -0.067 0.000 1.291 683 A HN -0.074 nan 8.150 nan 0.000 0.439 684 E N -0.410 119.722 120.200 -0.114 0.000 2.118 684 E HA -0.182 4.166 4.350 -0.003 0.000 0.195 684 E C -0.295 176.261 176.600 -0.074 0.000 0.992 684 E CA 1.596 57.947 56.400 -0.082 0.000 0.804 684 E CB 0.114 29.801 29.700 -0.021 0.000 0.741 684 E HN 0.523 nan 8.360 nan 0.000 0.458 685 D N -0.380 119.984 120.400 -0.060 0.000 2.593 685 D HA 0.182 4.820 4.640 -0.003 0.000 0.241 685 D C -0.324 175.991 176.300 0.026 0.000 1.257 685 D CA 0.015 54.034 54.000 0.031 0.000 0.828 685 D CB 0.507 41.338 40.800 0.051 0.000 1.049 685 D HN -0.094 nan 8.370 nan 0.000 0.490 686 R N 0.351 120.758 120.500 -0.155 0.000 2.522 686 R HA 0.444 4.782 4.340 -0.003 0.000 0.283 686 R C -1.435 174.701 176.300 -0.274 0.000 1.074 686 R CA -0.496 55.558 56.100 -0.077 0.000 0.925 686 R CB 1.583 31.845 30.300 -0.063 0.000 1.205 686 R HN -0.137 nan 8.270 nan 0.000 0.436 687 F N 2.238 122.207 119.950 0.032 0.000 2.588 687 F HA 0.462 4.987 4.527 -0.003 0.000 0.310 687 F C -0.533 175.246 175.800 -0.035 0.000 1.082 687 F CA -1.046 56.964 58.000 0.016 0.000 0.929 687 F CB 1.834 40.856 39.000 0.037 0.000 1.254 687 F HN 0.193 nan 8.300 nan 0.000 0.455 688 L N 4.509 125.794 121.223 0.102 0.000 2.316 688 L HA 0.576 4.914 4.340 -0.003 0.000 0.280 688 L C -0.827 175.980 176.870 -0.104 0.000 1.006 688 L CA -0.504 54.298 54.840 -0.064 0.000 0.836 688 L CB 1.206 43.159 42.059 -0.178 0.000 1.221 688 L HN 0.720 nan 8.230 nan 0.000 0.418 689 M N 4.246 123.773 119.600 -0.121 0.000 2.238 689 M HA 0.453 4.931 4.480 -0.003 0.000 0.350 689 M C -1.379 174.780 176.300 -0.235 0.000 1.138 689 M CA -0.212 55.043 55.300 -0.075 0.000 1.040 689 M CB 0.823 33.426 32.600 0.004 0.000 1.639 689 M HN 0.711 nan 8.290 nan 0.000 0.451 690 H N 1.888 120.961 119.070 0.005 0.000 2.457 690 H HA 0.560 5.115 4.556 -0.003 0.000 0.335 690 H C -0.067 175.241 175.328 -0.035 0.000 1.115 690 H CA -0.346 55.690 56.048 -0.021 0.000 1.219 690 H CB 1.598 31.337 29.762 -0.038 0.000 1.471 690 H HN 0.735 nan 8.280 nan 0.000 0.491 691 T N -1.184 113.402 114.554 0.053 0.000 2.905 691 T HA 0.417 4.765 4.350 -0.003 0.000 0.283 691 T C 0.404 175.084 174.700 -0.033 0.000 1.031 691 T CA -0.841 61.245 62.100 -0.024 0.000 1.002 691 T CB 1.021 69.850 68.868 -0.065 0.000 1.200 691 T HN 0.656 nan 8.240 nan 0.000 0.560 692 T N -0.852 113.659 114.554 -0.072 0.000 2.855 692 T HA 0.162 4.510 4.350 -0.003 0.000 0.314 692 T C 1.389 176.078 174.700 -0.019 0.000 1.077 692 T CA 0.162 62.228 62.100 -0.056 0.000 1.095 692 T CB -0.214 68.620 68.868 -0.057 0.000 0.987 692 T HN 0.653 nan 8.240 nan 0.000 0.546 693 T N 1.966 116.513 114.554 -0.010 0.000 2.788 693 T HA 0.033 4.381 4.350 -0.003 0.000 0.268 693 T C 2.229 176.998 174.700 0.114 0.000 1.044 693 T CA 1.492 63.602 62.100 0.016 0.000 1.139 693 T CB -0.883 67.951 68.868 -0.055 0.000 0.867 693 T HN 0.876 nan 8.240 nan 0.000 0.454 694 G N 0.303 109.150 108.800 0.078 0.000 2.484 694 G HA2 0.109 4.067 3.960 -0.003 0.000 0.218 694 G HA3 0.109 4.067 3.960 -0.003 0.000 0.218 694 G C 1.374 176.300 174.900 0.043 0.000 1.130 694 G CA 0.702 45.850 45.100 0.079 0.000 0.784 694 G HN 0.568 nan 8.290 nan 0.000 0.543 695 G N -0.150 108.645 108.800 -0.009 0.000 3.159 695 G HA2 0.394 4.352 3.960 -0.003 0.000 0.232 695 G HA3 0.394 4.352 3.960 -0.003 0.000 0.232 695 G C 1.551 176.437 174.900 -0.025 0.000 1.116 695 G CA 1.079 46.139 45.100 -0.068 0.000 0.767 695 G HN 0.446 nan 8.290 nan 0.000 0.547 696 A N 1.420 124.258 122.820 0.030 0.000 1.858 696 A HA 0.247 4.566 4.320 -0.003 0.000 0.216 696 A C 2.700 180.323 177.584 0.064 0.000 1.190 696 A CA 2.195 54.260 52.037 0.046 0.000 0.617 696 A CB -0.692 18.357 19.000 0.082 0.000 0.827 696 A HN 0.702 nan 8.150 nan 0.000 0.443 697 A N -0.615 122.250 122.820 0.074 0.000 2.014 697 A HA -0.049 4.269 4.320 -0.003 0.000 0.218 697 A C 1.670 179.322 177.584 0.113 0.000 1.163 697 A CA 1.607 53.691 52.037 0.078 0.000 0.652 697 A CB -0.417 18.616 19.000 0.054 0.000 0.808 697 A HN 0.458 nan 8.150 nan 0.000 0.449 698 D N -0.063 120.416 120.400 0.132 0.000 2.097 698 D HA -0.095 4.543 4.640 -0.003 0.000 0.197 698 D C 2.105 178.612 176.300 0.347 0.000 0.984 698 D CA 1.411 55.545 54.000 0.223 0.000 0.826 698 D CB -0.473 40.481 40.800 0.257 0.000 0.973 698 D HN 0.190 nan 8.370 nan 0.000 0.460 699 V N 1.254 121.306 119.914 0.230 0.000 2.287 699 V HA -0.226 3.892 4.120 -0.003 0.000 0.248 699 V C 2.520 178.792 176.094 0.297 0.000 1.053 699 V CA 1.272 63.719 62.300 0.244 0.000 1.027 699 V CB -0.527 31.288 31.823 -0.013 0.000 0.646 699 V HN 0.138 nan 8.190 nan 0.000 0.447 700 L N 0.412 121.749 121.223 0.189 0.000 2.046 700 L HA -0.173 4.165 4.340 -0.003 0.000 0.208 700 L C 2.086 179.076 176.870 0.200 0.000 1.077 700 L CA 2.103 57.046 54.840 0.171 0.000 0.747 700 L CB -0.940 41.182 42.059 0.106 0.000 0.896 700 L HN 0.296 nan 8.230 nan 0.000 0.432 701 D N -0.839 119.683 120.400 0.203 0.000 2.104 701 D HA -0.290 4.348 4.640 -0.003 0.000 0.194 701 D C 1.838 178.302 176.300 0.274 0.000 0.994 701 D CA 1.656 55.769 54.000 0.189 0.000 0.830 701 D CB -0.597 40.298 40.800 0.157 0.000 0.959 701 D HN 0.633 nan 8.370 nan 0.000 0.452 702 W N 1.686 123.081 121.300 0.158 0.000 2.317 702 W HA -0.227 4.431 4.660 -0.003 0.000 0.318 702 W C 1.947 178.679 176.519 0.355 0.000 1.227 702 W CA 0.931 58.412 57.345 0.226 0.000 1.269 702 W CB -0.390 29.255 29.460 0.307 0.000 1.155 702 W HN -0.012 nan 8.180 nan 0.000 0.484 703 L N 0.562 122.032 121.223 0.412 0.000 1.990 703 L HA -0.283 4.055 4.340 -0.003 0.000 0.213 703 L C 2.665 179.693 176.870 0.263 0.000 1.072 703 L CA 1.647 56.715 54.840 0.381 0.000 0.755 703 L CB -1.212 41.084 42.059 0.394 0.000 0.889 703 L HN -0.038 nan 8.230 nan 0.000 0.432 704 E N -0.035 120.259 120.200 0.157 0.000 2.150 704 E HA -0.250 4.099 4.350 -0.003 0.000 0.193 704 E C 2.006 178.591 176.600 -0.026 0.000 0.985 704 E CA 1.038 57.467 56.400 0.049 0.000 0.814 704 E CB -0.077 29.647 29.700 0.039 0.000 0.752 704 E HN 0.535 nan 8.360 nan 0.000 0.466 705 E N -0.126 120.043 120.200 -0.052 0.000 2.051 705 E HA -0.195 4.153 4.350 -0.003 0.000 0.192 705 E C 1.813 178.168 176.600 -0.408 0.000 0.991 705 E CA 1.185 57.442 56.400 -0.240 0.000 0.799 705 E CB -0.110 29.404 29.700 -0.310 0.000 0.748 705 E HN 0.250 nan 8.360 nan 0.000 0.449 706 W N 0.719 121.789 121.300 -0.383 0.000 2.379 706 W HA -0.079 4.579 4.660 -0.003 0.000 0.307 706 W C 2.269 178.557 176.519 -0.384 0.000 1.200 706 W CA 0.647 57.662 57.345 -0.549 0.000 1.297 706 W CB -0.388 28.735 29.460 -0.561 0.000 1.140 706 W HN 0.116 nan 8.180 nan 0.000 0.507 707 L N -0.244 120.989 121.223 0.018 0.000 2.046 707 L HA -0.246 4.092 4.340 -0.003 0.000 0.208 707 L C 2.445 179.266 176.870 -0.080 0.000 1.077 707 L CA 1.425 56.228 54.840 -0.062 0.000 0.747 707 L CB -0.894 41.053 42.059 -0.188 0.000 0.896 707 L HN 0.089 nan 8.230 nan 0.000 0.432 708 Q N -1.084 118.647 119.800 -0.114 0.000 2.212 708 Q HA -0.108 4.230 4.340 -0.003 0.000 0.199 708 Q C 2.097 178.012 176.000 -0.142 0.000 0.950 708 Q CA 1.824 57.561 55.803 -0.110 0.000 0.863 708 Q CB 0.153 28.831 28.738 -0.101 0.000 0.944 708 Q HN 0.626 nan 8.270 nan 0.000 0.465 709 T N -3.069 111.349 114.554 -0.227 0.000 2.969 709 T HA 0.138 4.486 4.350 -0.003 0.000 0.250 709 T C 1.382 175.897 174.700 -0.308 0.000 1.021 709 T CA -0.053 61.892 62.100 -0.258 0.000 1.003 709 T CB 0.413 69.094 68.868 -0.311 0.000 1.040 709 T HN -0.025 nan 8.240 nan 0.000 0.492 710 E N 0.085 120.037 120.200 -0.414 0.000 2.306 710 E HA 0.156 4.505 4.350 -0.003 0.000 0.201 710 E C 0.030 176.471 176.600 -0.265 0.000 0.874 710 E CA 0.365 56.459 56.400 -0.510 0.000 0.972 710 E CB 0.434 29.545 29.700 -0.982 0.000 0.957 710 E HN 0.598 nan 8.360 nan 0.000 0.492 711 W N 3.133 124.447 121.300 0.023 0.000 1.602 711 W HA 0.310 4.969 4.660 -0.003 0.000 0.294 711 W C -1.984 174.506 176.519 -0.048 0.000 0.838 711 W CA -2.133 55.215 57.345 0.006 0.000 2.320 711 W CB 0.309 29.795 29.460 0.043 0.000 2.318 711 W HN 0.016 nan 8.180 nan 0.000 0.467 712 P HA -0.189 nan 4.420 nan 0.000 0.226 712 P C 1.351 178.670 177.300 0.031 0.000 1.153 712 P CA 1.700 64.817 63.100 0.029 0.000 0.777 712 P CB 0.222 31.923 31.700 0.001 0.000 0.794 713 E N 0.501 120.737 120.200 0.060 0.000 2.358 713 E HA -0.042 4.306 4.350 -0.003 0.000 0.195 713 E C 0.678 177.290 176.600 0.021 0.000 1.010 713 E CA 0.089 56.511 56.400 0.037 0.000 0.856 713 E CB -0.786 28.940 29.700 0.044 0.000 0.795 713 E HN 0.303 nan 8.360 nan 0.000 0.504 714 L N 2.594 123.833 121.223 0.027 0.000 2.416 714 L HA 0.081 4.419 4.340 -0.003 0.000 0.272 714 L C 0.342 177.189 176.870 -0.039 0.000 1.161 714 L CA -0.325 54.505 54.840 -0.016 0.000 0.845 714 L CB 0.366 42.399 42.059 -0.044 0.000 1.119 714 L HN -0.072 nan 8.230 nan 0.000 0.464 715 D N 3.755 124.139 120.400 -0.026 0.000 2.435 715 D HA 0.330 4.968 4.640 -0.003 0.000 0.230 715 D C -0.996 175.286 176.300 -0.030 0.000 1.215 715 D CA -0.032 53.955 54.000 -0.021 0.000 0.947 715 D CB 0.407 41.207 40.800 0.000 0.000 1.048 715 D HN 0.091 nan 8.370 nan 0.000 0.512 716 V N 3.073 122.942 119.914 -0.074 0.000 2.668 716 V HA 0.455 4.573 4.120 -0.003 0.000 0.304 716 V C -0.080 175.968 176.094 -0.077 0.000 1.071 716 V CA -0.805 61.442 62.300 -0.088 0.000 0.894 716 V CB 2.245 33.912 31.823 -0.259 0.000 1.008 716 V HN 0.452 nan 8.190 nan 0.000 0.425 717 T N 3.226 117.769 114.554 -0.019 0.000 2.848 717 T HA 0.549 4.898 4.350 -0.003 0.000 0.285 717 T C -0.599 174.114 174.700 0.021 0.000 0.995 717 T CA -0.345 61.750 62.100 -0.007 0.000 0.970 717 T CB 1.320 70.189 68.868 0.003 0.000 0.976 717 T HN 0.729 nan 8.240 nan 0.000 0.441 718 C N 2.403 121.716 119.300 0.022 0.000 2.561 718 C HA 0.902 5.360 4.460 -0.003 0.000 0.319 718 C C 0.243 175.252 174.990 0.032 0.000 1.198 718 C CA -0.649 58.396 59.018 0.045 0.000 1.665 718 C CB 1.455 29.236 27.740 0.069 0.000 2.258 718 C HN 0.916 nan 8.230 nan 0.000 0.493 719 T N 1.101 115.673 114.554 0.029 0.000 2.971 719 T HA 0.290 4.638 4.350 -0.003 0.000 0.304 719 T C -0.440 174.267 174.700 0.012 0.000 1.038 719 T CA -0.220 61.889 62.100 0.017 0.000 1.007 719 T CB 1.620 70.492 68.868 0.007 0.000 1.055 719 T HN 0.732 nan 8.240 nan 0.000 0.451 720 S N 1.856 117.564 115.700 0.013 0.000 2.516 720 S HA 0.218 4.686 4.470 -0.003 0.000 0.282 720 S C 1.060 175.659 174.600 -0.002 0.000 1.286 720 S CA -0.430 57.777 58.200 0.012 0.000 1.066 720 S CB -0.107 63.105 63.200 0.020 0.000 0.884 720 S HN 0.729 nan 8.310 nan 0.000 0.491 721 V N 2.959 122.866 119.914 -0.011 0.000 3.159 721 V HA 0.256 4.375 4.120 -0.003 0.000 0.333 721 V C 1.485 177.576 176.094 -0.006 0.000 1.424 721 V CA 0.172 62.460 62.300 -0.021 0.000 1.125 721 V CB -0.753 31.047 31.823 -0.038 0.000 1.075 721 V HN 0.754 nan 8.190 nan 0.000 0.482 722 T N 1.428 115.995 114.554 0.021 0.000 2.624 722 T HA -0.222 4.127 4.350 -0.003 0.000 0.268 722 T C 1.625 176.377 174.700 0.086 0.000 1.041 722 T CA 2.660 64.799 62.100 0.065 0.000 1.159 722 T CB -0.208 68.729 68.868 0.114 0.000 0.863 722 T HN 0.680 nan 8.240 nan 0.000 0.434 723 E N 0.297 120.544 120.200 0.078 0.000 2.435 723 E HA -0.027 4.321 4.350 -0.003 0.000 0.195 723 E C 2.220 178.821 176.600 0.002 0.000 1.029 723 E CA 0.239 56.688 56.400 0.082 0.000 0.865 723 E CB -0.040 29.697 29.700 0.063 0.000 0.833 723 E HN 0.396 nan 8.360 nan 0.000 0.510 724 Q N 0.718 120.496 119.800 -0.036 0.000 2.172 724 Q HA -0.017 4.321 4.340 -0.003 0.000 0.200 724 Q C 0.394 176.337 176.000 -0.096 0.000 0.964 724 Q CA 0.874 56.615 55.803 -0.104 0.000 0.855 724 Q CB 0.200 28.880 28.738 -0.098 0.000 0.918 724 Q HN 0.137 nan 8.270 nan 0.000 0.444 725 L N 1.143 122.347 121.223 -0.030 0.000 2.296 725 L HA 0.693 5.031 4.340 -0.003 0.000 0.286 725 L C -0.282 176.605 176.870 0.028 0.000 1.023 725 L CA -0.954 53.887 54.840 0.002 0.000 0.812 725 L CB 1.582 43.653 42.059 0.020 0.000 1.223 725 L HN 0.067 nan 8.230 nan 0.000 0.421 726 A N 2.446 125.293 122.820 0.045 0.000 2.257 726 A HA 0.862 5.180 4.320 -0.003 0.000 0.289 726 A C -0.163 177.462 177.584 0.069 0.000 1.095 726 A CA -0.256 51.815 52.037 0.057 0.000 0.836 726 A CB 0.930 19.980 19.000 0.083 0.000 1.111 726 A HN 0.647 nan 8.150 nan 0.000 0.497 727 T N 0.235 114.830 114.554 0.068 0.000 3.172 727 T HA 0.460 4.808 4.350 -0.003 0.000 0.320 727 T C -1.191 173.581 174.700 0.120 0.000 1.085 727 T CA -0.356 61.794 62.100 0.082 0.000 1.052 727 T CB 1.236 70.135 68.868 0.052 0.000 1.107 727 T HN 0.562 nan 8.240 nan 0.000 0.458 728 V N 2.439 122.441 119.914 0.146 0.000 2.370 728 V HA 0.769 4.888 4.120 -0.003 0.000 0.283 728 V C 0.398 176.560 176.094 0.112 0.000 1.023 728 V CA -0.942 61.470 62.300 0.186 0.000 0.857 728 V CB 1.231 33.158 31.823 0.175 0.000 0.985 728 V HN 1.089 nan 8.190 nan 0.000 0.443 729 A N 5.046 127.929 122.820 0.105 0.000 2.289 729 A HA 0.729 5.047 4.320 -0.003 0.000 0.298 729 A C -0.408 177.228 177.584 0.087 0.000 1.208 729 A CA -0.374 51.719 52.037 0.094 0.000 0.845 729 A CB 0.740 19.797 19.000 0.096 0.000 1.125 729 A HN 0.712 nan 8.150 nan 0.000 0.517 730 V N 3.994 123.975 119.914 0.111 0.000 2.357 730 V HA 0.478 4.597 4.120 -0.003 0.000 0.284 730 V C -0.426 175.763 176.094 0.159 0.000 1.018 730 V CA -0.375 61.983 62.300 0.096 0.000 0.841 730 V CB 1.196 33.047 31.823 0.046 0.000 0.991 730 V HN 0.633 nan 8.190 nan 0.000 0.437 731 V N 3.682 123.689 119.914 0.156 0.000 2.638 731 V HA 1.027 5.145 4.120 -0.003 0.000 0.306 731 V C 0.355 176.495 176.094 0.076 0.000 1.052 731 V CA 0.248 62.638 62.300 0.149 0.000 0.885 731 V CB 1.371 33.335 31.823 0.235 0.000 0.999 731 V HN 1.285 nan 8.190 nan 0.000 0.424 732 G N 5.804 114.629 108.800 0.041 0.000 2.381 732 G HA2 0.073 4.032 3.960 -0.003 0.000 0.672 732 G HA3 0.073 4.032 3.960 -0.003 0.000 0.672 732 G C -2.606 172.282 174.900 -0.020 0.000 1.324 732 G CA -0.128 44.968 45.100 -0.006 0.000 0.975 732 G HN 0.453 nan 8.290 nan 0.000 0.593 733 P HA -0.080 nan 4.420 nan 0.000 0.218 733 P C 1.317 178.545 177.300 -0.119 0.000 1.148 733 P CA 0.999 64.060 63.100 -0.065 0.000 0.822 733 P CB 0.098 31.759 31.700 -0.064 0.000 0.784 734 R N 0.100 120.487 120.500 -0.189 0.000 2.320 734 R HA 0.124 4.462 4.340 -0.003 0.000 0.211 734 R C 2.023 178.136 176.300 -0.312 0.000 0.931 734 R CA 0.483 56.345 56.100 -0.397 0.000 1.071 734 R CB -0.879 29.022 30.300 -0.665 0.000 1.025 734 R HN 0.343 nan 8.270 nan 0.000 0.495 735 S N 0.335 115.972 115.700 -0.106 0.000 2.402 735 S HA -0.132 4.336 4.470 -0.003 0.000 0.229 735 S C 2.031 176.564 174.600 -0.113 0.000 1.021 735 S CA 0.403 58.594 58.200 -0.015 0.000 0.974 735 S CB -0.139 63.170 63.200 0.182 0.000 0.800 735 S HN 0.246 nan 8.310 nan 0.000 0.484 736 R N 1.490 121.963 120.500 -0.045 0.000 2.096 736 R HA -0.151 4.187 4.340 -0.003 0.000 0.240 736 R C 1.688 177.819 176.300 -0.282 0.000 1.139 736 R CA 2.175 58.156 56.100 -0.198 0.000 0.952 736 R CB -0.505 29.780 30.300 -0.025 0.000 0.854 736 R HN 0.560 nan 8.270 nan 0.000 0.436 737 D N -0.507 119.736 120.400 -0.262 0.000 2.144 737 D HA -0.114 4.524 4.640 -0.003 0.000 0.200 737 D C 1.931 178.184 176.300 -0.080 0.000 0.978 737 D CA 1.216 55.091 54.000 -0.208 0.000 0.833 737 D CB 0.071 40.586 40.800 -0.475 0.000 0.961 737 D HN 0.134 nan 8.370 nan 0.000 0.470 738 V N 2.071 121.916 119.914 -0.116 0.000 2.295 738 V HA -0.214 3.904 4.120 -0.003 0.000 0.246 738 V C 2.557 178.574 176.094 -0.128 0.000 1.049 738 V CA 1.002 63.279 62.300 -0.039 0.000 1.024 738 V CB -0.286 31.513 31.823 -0.040 0.000 0.648 738 V HN 0.161 nan 8.190 nan 0.000 0.447 739 I N 0.861 121.265 120.570 -0.277 0.000 2.226 739 I HA -0.233 3.935 4.170 -0.003 0.000 0.245 739 I C 2.778 178.762 176.117 -0.220 0.000 1.100 739 I CA 1.916 63.010 61.300 -0.344 0.000 1.374 739 I CB -1.717 35.822 38.000 -0.768 0.000 1.057 739 I HN 0.319 nan 8.210 nan 0.000 0.413 740 A N 0.913 123.614 122.820 -0.200 0.000 1.958 740 A HA -0.249 4.070 4.320 -0.003 0.000 0.221 740 A C 2.294 179.846 177.584 -0.054 0.000 1.178 740 A CA 1.820 53.796 52.037 -0.102 0.000 0.642 740 A CB -0.583 18.374 19.000 -0.072 0.000 0.816 740 A HN 0.427 nan 8.150 nan 0.000 0.453 741 K N -1.293 119.082 120.400 -0.041 0.000 2.366 741 K HA 0.118 4.436 4.320 -0.003 0.000 0.198 741 K C 1.346 177.929 176.600 -0.027 0.000 1.044 741 K CA 0.641 56.917 56.287 -0.019 0.000 0.973 741 K CB -0.093 32.407 32.500 -0.000 0.000 0.767 741 K HN 0.377 nan 8.250 nan 0.000 0.475 742 L N -0.151 121.046 121.223 -0.043 0.000 2.354 742 L HA 0.109 4.447 4.340 -0.003 0.000 0.212 742 L C 0.481 177.338 176.870 -0.022 0.000 1.091 742 L CA 0.357 55.177 54.840 -0.034 0.000 0.828 742 L CB 0.504 42.535 42.059 -0.046 0.000 0.973 742 L HN -0.069 nan 8.230 nan 0.000 0.461 743 A N -1.467 121.338 122.820 -0.024 0.000 2.466 743 A HA 0.454 4.772 4.320 -0.003 0.000 0.291 743 A C 1.006 178.588 177.584 -0.004 0.000 1.234 743 A CA 0.085 52.119 52.037 -0.005 0.000 0.752 743 A CB 0.615 19.621 19.000 0.011 0.000 1.153 743 A HN 0.177 nan 8.150 nan 0.000 0.458 744 S N 1.376 117.075 115.700 -0.001 0.000 2.383 744 S HA -0.147 4.321 4.470 -0.003 0.000 0.227 744 S C 1.573 176.176 174.600 0.005 0.000 1.026 744 S CA 1.814 60.013 58.200 -0.001 0.000 0.981 744 S CB -0.386 62.814 63.200 0.000 0.000 0.818 744 S HN 1.535 nan 8.310 nan 0.000 0.472 745 S N 0.510 116.216 115.700 0.010 0.000 2.614 745 S HA 0.384 4.853 4.470 -0.003 0.000 0.230 745 S C 0.286 174.899 174.600 0.022 0.000 0.952 745 S CA -0.729 57.478 58.200 0.013 0.000 0.949 745 S CB -0.421 62.785 63.200 0.010 0.000 0.786 745 S HN 0.509 nan 8.310 nan 0.000 0.478 746 L N 2.626 123.867 121.223 0.030 0.000 2.290 746 L HA 0.402 4.740 4.340 -0.003 0.000 0.284 746 L C -0.673 176.241 176.870 0.072 0.000 1.078 746 L CA -0.112 54.764 54.840 0.060 0.000 0.815 746 L CB 1.111 43.220 42.059 0.083 0.000 1.162 746 L HN 0.188 nan 8.230 nan 0.000 0.435 747 D N 4.073 124.529 120.400 0.092 0.000 2.352 747 D HA 0.084 4.723 4.640 -0.003 0.000 0.245 747 D C 0.731 177.157 176.300 0.209 0.000 1.224 747 D CA -0.168 53.894 54.000 0.104 0.000 0.879 747 D CB 1.199 42.044 40.800 0.075 0.000 1.057 747 D HN 0.402 nan 8.370 nan 0.000 0.491 748 V N 1.909 121.914 119.914 0.151 0.000 3.342 748 V HA 0.196 4.315 4.120 -0.003 0.000 0.322 748 V C 0.704 176.893 176.094 0.159 0.000 1.370 748 V CA -0.192 62.204 62.300 0.160 0.000 1.170 748 V CB -0.839 30.916 31.823 -0.114 0.000 1.101 748 V HN 0.421 nan 8.190 nan 0.000 0.442 749 S N 0.120 115.908 115.700 0.146 0.000 2.579 749 S HA 0.069 4.537 4.470 -0.003 0.000 0.275 749 S C 1.221 175.915 174.600 0.157 0.000 1.345 749 S CA 0.509 58.777 58.200 0.114 0.000 1.031 749 S CB 0.544 63.790 63.200 0.077 0.000 0.892 749 S HN 0.616 nan 8.310 nan 0.000 0.529 750 N N 1.733 120.500 118.700 0.112 0.000 2.061 750 N HA -0.246 4.492 4.740 -0.003 0.000 0.193 750 N C 1.379 176.958 175.510 0.115 0.000 1.030 750 N CA 2.054 55.170 53.050 0.110 0.000 0.856 750 N CB -0.446 38.075 38.487 0.058 0.000 1.023 750 N HN 0.927 nan 8.380 nan 0.000 0.424 751 D N -0.236 120.214 120.400 0.082 0.000 2.224 751 D HA -0.080 4.558 4.640 -0.003 0.000 0.205 751 D C 1.564 177.907 176.300 0.073 0.000 0.965 751 D CA 0.822 54.861 54.000 0.065 0.000 0.852 751 D CB -0.094 40.728 40.800 0.036 0.000 0.947 751 D HN 0.315 nan 8.370 nan 0.000 0.494 752 A N -0.115 122.765 122.820 0.100 0.000 2.072 752 A HA 0.145 4.463 4.320 -0.003 0.000 0.216 752 A C 0.744 178.398 177.584 0.116 0.000 1.156 752 A CA -0.023 52.065 52.037 0.083 0.000 0.701 752 A CB -0.286 18.763 19.000 0.081 0.000 0.816 752 A HN 0.316 nan 8.150 nan 0.000 0.458 753 F N 0.844 120.827 119.950 0.055 0.000 2.824 753 F HA 0.333 4.858 4.527 -0.003 0.000 0.375 753 F C -0.076 175.770 175.800 0.077 0.000 1.190 753 F CA -0.884 57.166 58.000 0.084 0.000 1.180 753 F CB 0.701 39.803 39.000 0.169 0.000 1.477 753 F HN -0.094 nan 8.300 nan 0.000 0.542 754 K N 2.542 123.140 120.400 0.330 0.000 2.102 754 K HA 0.201 4.519 4.320 -0.003 0.000 0.244 754 K C -0.389 176.358 176.600 0.246 0.000 1.021 754 K CA -0.757 55.665 56.287 0.225 0.000 0.913 754 K CB 0.993 33.569 32.500 0.127 0.000 1.062 754 K HN 0.386 nan 8.250 nan 0.000 0.485 755 F N 2.497 122.467 119.950 0.034 0.000 2.608 755 F HA -0.119 4.407 4.527 -0.002 0.000 0.380 755 F C 0.839 176.656 175.800 0.029 0.000 1.083 755 F CA 0.762 58.758 58.000 -0.007 0.000 1.266 755 F CB 0.059 39.040 39.000 -0.032 0.000 1.076 755 F HN 0.546 nan 8.300 nan 0.000 0.574 756 M N 2.613 121.822 119.600 -0.652 0.000 2.907 756 M HA -0.249 4.230 4.480 -0.003 0.000 0.186 756 M C 0.073 176.320 176.300 -0.088 0.000 0.631 756 M CA 1.135 56.145 55.300 -0.482 0.000 0.700 756 M CB -2.631 29.596 32.600 -0.621 0.000 2.523 756 M HN 0.709 nan 8.290 nan 0.000 0.323 757 A N 0.607 123.446 122.820 0.031 0.000 2.271 757 A HA 0.807 5.126 4.320 -0.003 0.000 0.288 757 A C -0.138 177.591 177.584 0.241 0.000 1.094 757 A CA -0.300 51.768 52.037 0.052 0.000 0.828 757 A CB 0.540 19.520 19.000 -0.035 0.000 1.091 757 A HN 0.552 nan 8.150 nan 0.000 0.493 758 F N -1.748 118.224 119.950 0.036 0.000 2.620 758 F HA 0.783 5.308 4.527 -0.003 0.000 0.320 758 F C -0.569 175.173 175.800 -0.096 0.000 1.069 758 F CA -0.893 57.164 58.000 0.096 0.000 0.953 758 F CB 1.521 40.578 39.000 0.095 0.000 1.322 758 F HN 0.541 nan 8.300 nan 0.000 0.479 759 Q N 0.924 120.798 119.800 0.122 0.000 2.345 759 Q HA 0.287 4.625 4.340 -0.003 0.000 0.275 759 Q C -1.936 174.176 176.000 0.187 0.000 1.063 759 Q CA -1.088 54.687 55.803 -0.047 0.000 0.819 759 Q CB 2.951 31.515 28.738 -0.290 0.000 1.356 759 Q HN 0.570 nan 8.270 nan 0.000 0.418 760 D N 2.295 122.783 120.400 0.148 0.000 2.317 760 D HA 0.258 4.896 4.640 -0.003 0.000 0.252 760 D C -0.441 175.912 176.300 0.087 0.000 1.174 760 D CA 0.112 54.197 54.000 0.142 0.000 0.866 760 D CB 1.517 42.391 40.800 0.124 0.000 1.127 760 D HN 0.304 nan 8.370 nan 0.000 0.467 761 V N 0.248 120.221 119.914 0.098 0.000 2.876 761 V HA 0.570 4.688 4.120 -0.003 0.000 0.312 761 V C -0.272 175.857 176.094 0.058 0.000 1.085 761 V CA -0.651 61.694 62.300 0.074 0.000 0.945 761 V CB 2.193 34.073 31.823 0.096 0.000 1.017 761 V HN 0.388 nan 8.190 nan 0.000 0.428 762 T N 6.603 121.181 114.554 0.040 0.000 2.780 762 T HA 0.565 4.913 4.350 -0.003 0.000 0.294 762 T C 0.098 174.810 174.700 0.019 0.000 0.949 762 T CA -0.172 61.944 62.100 0.026 0.000 1.074 762 T CB 0.635 69.514 68.868 0.019 0.000 0.910 762 T HN 0.666 nan 8.240 nan 0.000 0.501 763 L N 2.706 123.934 121.223 0.008 0.000 2.436 763 L HA 0.206 4.545 4.340 -0.003 0.000 0.265 763 L C 1.449 178.316 176.870 -0.005 0.000 1.168 763 L CA -0.809 54.031 54.840 0.001 0.000 0.815 763 L CB 0.370 42.425 42.059 -0.007 0.000 1.109 763 L HN 0.564 nan 8.230 nan 0.000 0.462 764 D N 0.228 120.626 120.400 -0.003 0.000 2.172 764 D HA -0.199 4.439 4.640 -0.003 0.000 0.196 764 D C 2.162 178.460 176.300 -0.004 0.000 0.999 764 D CA 1.856 55.854 54.000 -0.002 0.000 0.856 764 D CB -0.091 40.707 40.800 -0.002 0.000 0.934 764 D HN 0.720 nan 8.370 nan 0.000 0.453 765 S N -1.068 114.626 115.700 -0.009 0.000 2.400 765 S HA -0.054 4.415 4.470 -0.003 0.000 0.232 765 S C 1.926 176.515 174.600 -0.018 0.000 1.025 765 S CA 1.577 59.771 58.200 -0.010 0.000 0.993 765 S CB -0.200 62.991 63.200 -0.015 0.000 0.808 765 S HN 0.441 nan 8.310 nan 0.000 0.478 766 G N 0.519 109.302 108.800 -0.027 0.000 2.229 766 G HA2 -0.147 3.811 3.960 -0.003 0.000 0.189 766 G HA3 -0.147 3.811 3.960 -0.003 0.000 0.189 766 G C -0.002 174.859 174.900 -0.065 0.000 1.000 766 G CA -0.188 44.896 45.100 -0.027 0.000 0.663 766 G HN 0.539 nan 8.290 nan 0.000 0.493 767 I N 2.072 122.569 120.570 -0.122 0.000 2.517 767 I HA 0.203 4.371 4.170 -0.003 0.000 0.285 767 I C 0.640 176.709 176.117 -0.080 0.000 1.106 767 I CA -0.033 61.133 61.300 -0.223 0.000 1.402 767 I CB 0.743 38.546 38.000 -0.328 0.000 1.399 767 I HN 0.128 nan 8.210 nan 0.000 0.535 768 E N 5.466 125.647 120.200 -0.032 0.000 2.299 768 E HA 0.440 4.788 4.350 -0.003 0.000 0.272 768 E C -0.373 176.257 176.600 0.050 0.000 1.043 768 E CA -0.256 56.161 56.400 0.028 0.000 0.895 768 E CB 0.952 30.684 29.700 0.054 0.000 1.011 768 E HN 0.714 nan 8.360 nan 0.000 0.432 769 A N 4.126 126.983 122.820 0.062 0.000 2.423 769 A HA 0.688 5.006 4.320 -0.003 0.000 0.304 769 A C -0.798 176.852 177.584 0.109 0.000 1.104 769 A CA -0.759 51.328 52.037 0.084 0.000 0.757 769 A CB 1.551 20.600 19.000 0.081 0.000 1.313 769 A HN 0.630 nan 8.150 nan 0.000 0.423 770 R N 0.919 121.494 120.500 0.124 0.000 2.437 770 R HA 0.703 5.041 4.340 -0.003 0.000 0.310 770 R C -1.740 174.687 176.300 0.211 0.000 0.955 770 R CA -0.379 55.824 56.100 0.171 0.000 0.851 770 R CB 0.865 31.234 30.300 0.116 0.000 1.161 770 R HN 0.646 nan 8.270 nan 0.000 0.446 771 I N 3.049 123.807 120.570 0.314 0.000 2.378 771 I HA 0.315 4.483 4.170 -0.003 0.000 0.291 771 I C -0.573 175.860 176.117 0.527 0.000 0.992 771 I CA -0.591 60.940 61.300 0.384 0.000 1.154 771 I CB 2.207 40.458 38.000 0.419 0.000 1.315 771 I HN 0.578 nan 8.210 nan 0.000 0.448 772 S N 5.446 121.368 115.700 0.370 0.000 2.502 772 S HA 0.456 4.924 4.470 -0.003 0.000 0.304 772 S C -0.088 174.596 174.600 0.140 0.000 1.097 772 S CA -0.850 57.545 58.200 0.324 0.000 1.045 772 S CB 1.841 65.140 63.200 0.166 0.000 1.019 772 S HN 0.489 nan 8.310 nan 0.000 0.481 773 R N 2.441 122.991 120.500 0.084 0.000 3.266 773 R HA 0.322 4.661 4.340 -0.003 0.000 0.224 773 R C -0.804 175.375 176.300 -0.202 0.000 1.525 773 R CA 0.117 56.079 56.100 -0.230 0.000 1.364 773 R CB -0.446 29.697 30.300 -0.262 0.000 1.276 773 R HN 0.528 nan 8.270 nan 0.000 0.660 774 I N 0.351 120.841 120.570 -0.134 0.000 2.404 774 I HA 0.193 4.361 4.170 -0.003 0.000 0.293 774 I C 0.127 176.242 176.117 -0.003 0.000 0.992 774 I CA -0.379 60.854 61.300 -0.111 0.000 1.149 774 I CB 2.033 39.962 38.000 -0.119 0.000 1.315 774 I HN 0.213 nan 8.210 nan 0.000 0.446 775 S N 4.939 120.700 115.700 0.100 0.000 2.536 775 S HA 0.519 4.988 4.470 -0.003 0.000 0.287 775 S C -0.572 174.205 174.600 0.295 0.000 1.101 775 S CA -0.324 57.998 58.200 0.203 0.000 0.950 775 S CB 1.161 64.509 63.200 0.247 0.000 1.056 775 S HN 0.478 nan 8.310 nan 0.000 0.481 776 F N 3.760 123.791 119.950 0.136 0.000 2.764 776 F HA 0.373 4.898 4.527 -0.003 0.000 0.310 776 F C 1.242 177.278 175.800 0.393 0.000 1.124 776 F CA -0.077 58.042 58.000 0.198 0.000 1.252 776 F CB 0.326 39.397 39.000 0.118 0.000 1.010 776 F HN 0.629 nan 8.300 nan 0.000 0.518 777 S N -2.631 113.277 115.700 0.347 0.000 2.648 777 S HA 0.391 4.859 4.470 -0.003 0.000 0.270 777 S C 1.544 176.186 174.600 0.070 0.000 1.080 777 S CA 0.337 58.606 58.200 0.114 0.000 1.159 777 S CB 0.423 63.671 63.200 0.080 0.000 1.091 777 S HN 0.619 nan 8.310 nan 0.000 0.605 778 G N 1.286 110.187 108.800 0.168 0.000 2.179 778 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.260 778 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.260 778 G C -0.171 174.753 174.900 0.040 0.000 0.977 778 G CA 0.368 45.515 45.100 0.078 0.000 0.641 778 G HN 0.522 nan 8.290 nan 0.000 0.533 779 E N -0.253 119.979 120.200 0.053 0.000 2.283 779 E HA 0.526 4.874 4.350 -0.003 0.000 0.267 779 E C 0.619 177.222 176.600 0.006 0.000 1.045 779 E CA -1.148 55.264 56.400 0.020 0.000 0.884 779 E CB 1.427 31.135 29.700 0.015 0.000 1.106 779 E HN 0.335 nan 8.360 nan 0.000 0.408 780 L N 1.542 122.749 121.223 -0.027 0.000 2.628 780 L HA 0.132 4.470 4.340 -0.003 0.000 0.292 780 L C -0.586 176.259 176.870 -0.041 0.000 1.250 780 L CA 0.716 55.524 54.840 -0.054 0.000 0.892 780 L CB -0.298 41.745 42.059 -0.027 0.000 1.138 780 L HN 0.564 nan 8.230 nan 0.000 0.502 781 A N 4.828 127.543 122.820 -0.175 0.000 2.566 781 A HA 0.732 5.050 4.320 -0.003 0.000 0.297 781 A C -1.559 175.802 177.584 -0.371 0.000 1.059 781 A CA -0.527 51.453 52.037 -0.095 0.000 0.691 781 A CB 0.701 19.719 19.000 0.031 0.000 1.282 781 A HN 0.516 nan 8.150 nan 0.000 0.401 782 F N 0.778 120.708 119.950 -0.032 0.000 2.547 782 F HA 0.467 4.993 4.527 -0.003 0.000 0.316 782 F C 0.305 176.098 175.800 -0.012 0.000 1.121 782 F CA -0.221 57.742 58.000 -0.062 0.000 0.911 782 F CB 2.451 41.368 39.000 -0.138 0.000 1.179 782 F HN 0.573 nan 8.300 nan 0.000 0.443 783 E N 4.218 124.509 120.200 0.152 0.000 2.156 783 E HA 0.479 4.827 4.350 -0.003 0.000 0.279 783 E C -0.878 175.805 176.600 0.137 0.000 0.965 783 E CA -0.520 55.946 56.400 0.109 0.000 0.789 783 E CB 2.152 31.871 29.700 0.032 0.000 1.098 783 E HN 0.469 nan 8.360 nan 0.000 0.397 784 I N 2.525 123.166 120.570 0.119 0.000 2.312 784 I HA 0.340 4.509 4.170 -0.003 0.000 0.290 784 I C -0.187 175.994 176.117 0.106 0.000 1.008 784 I CA -0.503 60.866 61.300 0.115 0.000 1.226 784 I CB 1.369 39.421 38.000 0.087 0.000 1.371 784 I HN 0.451 nan 8.210 nan 0.000 0.468 785 A N 8.766 131.651 122.820 0.107 0.000 2.287 785 A HA 0.854 5.173 4.320 -0.003 0.000 0.317 785 A C -0.433 177.208 177.584 0.095 0.000 1.220 785 A CA -0.472 51.624 52.037 0.097 0.000 0.835 785 A CB 0.790 19.849 19.000 0.097 0.000 1.180 785 A HN 0.654 nan 8.150 nan 0.000 0.500 786 I N -0.386 120.244 120.570 0.100 0.000 3.074 786 I HA 0.667 4.836 4.170 -0.003 0.000 0.310 786 I C -3.174 173.007 176.117 0.107 0.000 1.153 786 I CA -3.065 58.306 61.300 0.119 0.000 0.993 786 I CB 1.180 39.274 38.000 0.157 0.000 1.237 786 I HN 0.185 nan 8.210 nan 0.000 0.443 787 P HA 0.089 nan 4.420 nan 0.000 0.262 787 P C 0.628 177.910 177.300 -0.029 0.000 1.182 787 P CA 0.423 63.507 63.100 -0.026 0.000 0.761 787 P CB 0.702 32.395 31.700 -0.012 0.000 0.795 788 A N 4.644 127.381 122.820 -0.139 0.000 1.940 788 A HA -0.174 4.144 4.320 -0.003 0.000 0.219 788 A C 1.386 179.032 177.584 0.102 0.000 1.176 788 A CA 1.565 53.597 52.037 -0.009 0.000 0.631 788 A CB -1.495 17.497 19.000 -0.014 0.000 0.814 788 A HN 0.790 nan 8.150 nan 0.000 0.446 789 W N -1.038 120.241 121.300 -0.035 0.000 2.961 789 W HA 0.086 4.744 4.660 -0.003 0.000 0.240 789 W C 0.792 177.221 176.519 -0.151 0.000 1.305 789 W CA 0.395 57.684 57.345 -0.095 0.000 1.465 789 W CB -1.286 28.093 29.460 -0.136 0.000 1.135 789 W HN 0.446 nan 8.180 nan 0.000 0.688 790 H N -0.062 119.283 119.070 0.458 0.000 2.551 790 H HA 0.272 4.826 4.556 -0.003 0.000 0.271 790 H C 2.109 177.547 175.328 0.183 0.000 0.984 790 H CA 0.625 56.838 56.048 0.276 0.000 1.164 790 H CB -0.329 29.584 29.762 0.251 0.000 1.437 790 H HN 0.352 nan 8.280 nan 0.000 0.550 791 G N 1.316 110.267 108.800 0.252 0.000 2.446 791 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.217 791 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.217 791 G C 1.763 176.760 174.900 0.161 0.000 1.168 791 G CA 0.235 45.442 45.100 0.179 0.000 0.771 791 G HN 0.313 nan 8.290 nan 0.000 0.551 792 L N -0.164 121.139 121.223 0.135 0.000 1.994 792 L HA -0.152 4.186 4.340 -0.003 0.000 0.208 792 L C 3.032 180.001 176.870 0.164 0.000 1.071 792 L CA 2.288 57.199 54.840 0.118 0.000 0.745 792 L CB -0.431 41.698 42.059 0.117 0.000 0.892 792 L HN 0.322 nan 8.230 nan 0.000 0.431 793 Q N -0.292 119.611 119.800 0.173 0.000 2.062 793 Q HA -0.229 4.109 4.340 -0.003 0.000 0.209 793 Q C 1.901 177.979 176.000 0.130 0.000 0.996 793 Q CA 2.726 58.624 55.803 0.158 0.000 0.859 793 Q CB -0.641 28.208 28.738 0.185 0.000 0.920 793 Q HN 0.409 nan 8.270 nan 0.000 0.415 794 V N -0.171 119.831 119.914 0.146 0.000 2.358 794 V HA -0.213 3.905 4.120 -0.003 0.000 0.246 794 V C 1.951 178.091 176.094 0.076 0.000 1.047 794 V CA 1.778 64.140 62.300 0.103 0.000 1.035 794 V CB -0.909 30.986 31.823 0.120 0.000 0.658 794 V HN 0.609 nan 8.190 nan 0.000 0.452 795 W N 1.373 122.607 121.300 -0.111 0.000 2.318 795 W HA -0.230 4.428 4.660 -0.003 0.000 0.313 795 W C 2.280 178.613 176.519 -0.311 0.000 1.221 795 W CA 2.353 59.540 57.345 -0.264 0.000 1.266 795 W CB -0.169 29.055 29.460 -0.395 0.000 1.150 795 W HN 0.384 nan 8.180 nan 0.000 0.496 796 E N -0.087 120.088 120.200 -0.042 0.000 2.110 796 E HA -0.222 4.126 4.350 -0.003 0.000 0.193 796 E C 1.642 178.256 176.600 0.023 0.000 0.988 796 E CA 1.575 57.978 56.400 0.005 0.000 0.804 796 E CB -0.326 29.471 29.700 0.163 0.000 0.745 796 E HN 0.156 nan 8.360 nan 0.000 0.458 797 D N 0.297 120.701 120.400 0.006 0.000 2.117 797 D HA -0.123 4.515 4.640 -0.003 0.000 0.197 797 D C 2.066 178.328 176.300 -0.062 0.000 0.987 797 D CA 0.775 54.770 54.000 -0.009 0.000 0.829 797 D CB -0.211 40.589 40.800 0.001 0.000 0.961 797 D HN 0.025 nan 8.370 nan 0.000 0.460 798 V N 0.588 120.422 119.914 -0.133 0.000 2.427 798 V HA -0.252 3.867 4.120 -0.003 0.000 0.248 798 V C 2.173 178.151 176.094 -0.193 0.000 1.051 798 V CA 1.208 63.395 62.300 -0.188 0.000 1.048 798 V CB -0.586 31.060 31.823 -0.296 0.000 0.666 798 V HN 0.148 nan 8.190 nan 0.000 0.456 799 Y N 1.435 121.482 120.300 -0.422 0.000 2.145 799 Y HA -0.214 4.335 4.550 -0.003 0.000 0.286 799 Y C 2.415 178.231 175.900 -0.139 0.000 1.145 799 Y CA 1.385 59.276 58.100 -0.348 0.000 1.148 799 Y CB -0.812 37.434 38.460 -0.356 0.000 0.981 799 Y HN 0.150 nan 8.280 nan 0.000 0.507 800 A N 0.580 123.371 122.820 -0.048 0.000 1.859 800 A HA -0.211 4.107 4.320 -0.003 0.000 0.217 800 A C 2.467 179.974 177.584 -0.128 0.000 1.198 800 A CA 2.540 54.526 52.037 -0.086 0.000 0.629 800 A CB -1.667 17.337 19.000 0.005 0.000 0.830 800 A HN 0.611 nan 8.150 nan 0.000 0.446 801 A N -1.120 121.646 122.820 -0.090 0.000 2.024 801 A HA 0.118 4.437 4.320 -0.003 0.000 0.220 801 A C 2.143 179.693 177.584 -0.057 0.000 1.164 801 A CA 1.911 53.907 52.037 -0.067 0.000 0.643 801 A CB -0.967 18.009 19.000 -0.041 0.000 0.806 801 A HN 0.903 nan 8.150 nan 0.000 0.451 802 G N -1.950 106.795 108.800 -0.091 0.000 3.088 802 G HA2 0.134 4.092 3.960 -0.003 0.000 0.217 802 G HA3 0.134 4.092 3.960 -0.003 0.000 0.217 802 G C 1.205 176.014 174.900 -0.152 0.000 1.159 802 G CA 0.231 45.321 45.100 -0.016 0.000 0.760 802 G HN 0.375 nan 8.290 nan 0.000 0.550 803 Q N 1.366 120.998 119.800 -0.280 0.000 2.133 803 Q HA -0.209 4.129 4.340 -0.003 0.000 0.208 803 Q C 2.290 178.128 176.000 -0.270 0.000 0.991 803 Q CA 1.849 57.468 55.803 -0.305 0.000 0.867 803 Q CB -0.409 28.156 28.738 -0.289 0.000 0.911 803 Q HN 0.907 nan 8.270 nan 0.000 0.417 804 E N -0.452 119.508 120.200 -0.401 0.000 2.418 804 E HA -0.116 4.232 4.350 -0.003 0.000 0.197 804 E C 0.598 176.858 176.600 -0.567 0.000 1.026 804 E CA 0.555 56.644 56.400 -0.518 0.000 0.862 804 E CB -0.133 29.156 29.700 -0.686 0.000 0.799 804 E HN 0.263 nan 8.360 nan 0.000 0.518 805 F N 0.789 120.693 119.950 -0.077 0.000 2.639 805 F HA 0.296 4.821 4.527 -0.003 0.000 0.302 805 F C 0.245 176.011 175.800 -0.058 0.000 1.097 805 F CA -0.518 57.446 58.000 -0.061 0.000 1.294 805 F CB -0.209 38.756 39.000 -0.059 0.000 1.027 805 F HN -0.066 nan 8.300 nan 0.000 0.550 806 N N 1.512 120.226 118.700 0.024 0.000 2.780 806 N HA -0.264 4.474 4.740 -0.003 0.000 0.248 806 N C -0.051 175.473 175.510 0.024 0.000 1.102 806 N CA 0.142 53.198 53.050 0.010 0.000 0.697 806 N CB -1.443 37.065 38.487 0.035 0.000 1.028 806 N HN 0.483 nan 8.380 nan 0.000 0.554 807 I N 0.546 121.111 120.570 -0.009 0.000 2.741 807 I HA -0.017 4.151 4.170 -0.003 0.000 0.288 807 I C -0.088 176.066 176.117 0.062 0.000 1.192 807 I CA 0.654 61.962 61.300 0.012 0.000 1.426 807 I CB 0.278 38.254 38.000 -0.040 0.000 1.367 807 I HN 0.230 nan 8.210 nan 0.000 0.563 808 T N 9.082 123.690 114.554 0.090 0.000 2.788 808 T HA 0.398 4.747 4.350 -0.003 0.000 0.296 808 T C -2.407 172.374 174.700 0.135 0.000 1.009 808 T CA -1.084 61.092 62.100 0.127 0.000 0.949 808 T CB 1.205 70.136 68.868 0.104 0.000 0.946 808 T HN 0.411 nan 8.240 nan 0.000 0.453 809 P HA 0.241 nan 4.420 nan 0.000 0.269 809 P C -1.127 176.184 177.300 0.019 0.000 1.209 809 P CA -0.204 62.818 63.100 -0.131 0.000 0.776 809 P CB 0.200 31.576 31.700 -0.540 0.000 0.876 810 Y N -0.577 119.778 120.300 0.091 0.000 2.644 810 Y HA 0.855 5.403 4.550 -0.003 0.000 0.338 810 Y C -0.042 176.140 175.900 0.470 0.000 1.119 810 Y CA -1.133 57.154 58.100 0.312 0.000 1.060 810 Y CB 0.751 39.320 38.460 0.183 0.000 1.294 810 Y HN 0.547 nan 8.280 nan 0.000 0.472 811 G N -0.360 108.720 108.800 0.468 0.000 3.262 811 G HA2 0.380 4.339 3.960 -0.003 0.000 0.229 811 G HA3 0.380 4.339 3.960 -0.003 0.000 0.229 811 G C 0.415 175.465 174.900 0.249 0.000 1.280 811 G CA -0.378 44.861 45.100 0.232 0.000 0.951 811 G HN 1.028 nan 8.290 nan 0.000 0.589 812 T N -1.745 112.922 114.554 0.189 0.000 2.759 812 T HA -0.162 4.187 4.350 -0.003 0.000 0.269 812 T C 1.859 176.577 174.700 0.030 0.000 1.042 812 T CA 2.162 64.332 62.100 0.118 0.000 1.140 812 T CB -0.161 68.723 68.868 0.027 0.000 0.864 812 T HN 0.418 nan 8.240 nan 0.000 0.455 813 E N 1.145 121.484 120.200 0.232 0.000 2.028 813 E HA -0.047 4.301 4.350 -0.003 0.000 0.190 813 E C 2.425 179.097 176.600 0.120 0.000 0.984 813 E CA 1.627 58.123 56.400 0.161 0.000 0.800 813 E CB -0.830 28.950 29.700 0.133 0.000 0.758 813 E HN 0.515 nan 8.360 nan 0.000 0.448 814 T N 1.343 116.005 114.554 0.179 0.000 2.788 814 T HA -0.172 4.177 4.350 -0.003 0.000 0.268 814 T C 1.690 176.456 174.700 0.109 0.000 1.044 814 T CA 1.420 63.581 62.100 0.102 0.000 1.139 814 T CB -0.271 68.668 68.868 0.118 0.000 0.867 814 T HN 0.219 nan 8.240 nan 0.000 0.454 815 M N 0.632 120.456 119.600 0.374 0.000 2.144 815 M HA -0.182 4.297 4.480 -0.003 0.000 0.260 815 M C 1.972 178.424 176.300 0.253 0.000 1.067 815 M CA 1.882 57.435 55.300 0.421 0.000 1.095 815 M CB -0.548 32.357 32.600 0.507 0.000 1.365 815 M HN 0.488 nan 8.290 nan 0.000 0.406 816 H N -1.341 117.729 119.070 -0.000 0.000 2.403 816 H HA -0.058 4.496 4.556 -0.003 0.000 0.298 816 H C 2.166 177.106 175.328 -0.647 0.000 1.059 816 H CA 1.093 57.026 56.048 -0.192 0.000 1.363 816 H CB 0.246 29.985 29.762 -0.038 0.000 1.410 816 H HN 0.249 nan 8.280 nan 0.000 0.528 817 V N 1.422 120.993 119.914 -0.571 0.000 2.255 817 V HA -0.278 3.840 4.120 -0.003 0.000 0.247 817 V C 2.533 178.412 176.094 -0.360 0.000 1.051 817 V CA 1.607 63.485 62.300 -0.704 0.000 1.018 817 V CB -0.548 31.071 31.823 -0.340 0.000 0.641 817 V HN 0.319 nan 8.190 nan 0.000 0.445 818 L N 0.352 121.412 121.223 -0.271 0.000 2.017 818 L HA -0.152 4.187 4.340 -0.003 0.000 0.208 818 L C 2.851 179.554 176.870 -0.278 0.000 1.073 818 L CA 1.801 56.487 54.840 -0.256 0.000 0.745 818 L CB -0.784 41.156 42.059 -0.198 0.000 0.894 818 L HN 0.391 nan 8.230 nan 0.000 0.432 819 R N 1.367 121.675 120.500 -0.321 0.000 2.115 819 R HA -0.080 4.258 4.340 -0.003 0.000 0.230 819 R C 1.920 177.994 176.300 -0.375 0.000 1.111 819 R CA 1.784 57.587 56.100 -0.496 0.000 0.976 819 R CB -0.905 28.783 30.300 -1.020 0.000 0.870 819 R HN 0.269 nan 8.270 nan 0.000 0.445 820 A N 1.494 124.198 122.820 -0.193 0.000 1.929 820 A HA -0.072 4.246 4.320 -0.003 0.000 0.216 820 A C 2.016 179.688 177.584 0.147 0.000 1.176 820 A CA 1.179 53.289 52.037 0.121 0.000 0.628 820 A CB -0.326 18.887 19.000 0.355 0.000 0.816 820 A HN 0.540 nan 8.150 nan 0.000 0.444 821 E N -0.029 120.154 120.200 -0.028 0.000 2.209 821 E HA -0.167 4.182 4.350 -0.003 0.000 0.196 821 E C 1.105 177.528 176.600 -0.294 0.000 0.993 821 E CA 1.013 57.228 56.400 -0.308 0.000 0.819 821 E CB -0.006 29.476 29.700 -0.364 0.000 0.745 821 E HN 0.350 nan 8.360 nan 0.000 0.477 822 K N -0.528 119.604 120.400 -0.447 0.000 2.404 822 K HA 0.080 4.398 4.320 -0.003 0.000 0.194 822 K C 1.025 177.237 176.600 -0.647 0.000 1.023 822 K CA 0.652 56.508 56.287 -0.719 0.000 1.094 822 K CB 0.672 32.351 32.500 -1.368 0.000 0.841 822 K HN 0.231 nan 8.250 nan 0.000 0.523 823 G N 2.108 110.717 108.800 -0.318 0.000 2.225 823 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.267 823 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.267 823 G C -0.171 174.752 174.900 0.038 0.000 1.024 823 G CA -0.055 44.995 45.100 -0.084 0.000 0.784 823 G HN 0.132 nan 8.290 nan 0.000 0.507 824 F N 0.449 120.393 119.950 -0.009 0.000 2.389 824 F HA 0.578 5.103 4.527 -0.003 0.000 0.337 824 F C 1.417 177.271 175.800 0.091 0.000 1.112 824 F CA -1.920 56.084 58.000 0.007 0.000 1.192 824 F CB 0.601 39.489 39.000 -0.186 0.000 1.185 824 F HN 0.314 nan 8.300 nan 0.000 0.552 825 I N 1.204 122.012 120.570 0.397 0.000 2.612 825 I HA 0.507 4.675 4.170 -0.003 0.000 0.295 825 I C -0.661 175.663 176.117 0.345 0.000 1.011 825 I CA -0.455 61.035 61.300 0.317 0.000 1.326 825 I CB 1.185 39.338 38.000 0.256 0.000 1.427 825 I HN 0.350 nan 8.210 nan 0.000 0.537 826 I N 5.592 126.299 120.570 0.229 0.000 2.355 826 I HA 0.252 4.421 4.170 -0.003 0.000 0.288 826 I C -0.130 176.073 176.117 0.143 0.000 0.999 826 I CA -0.913 60.483 61.300 0.161 0.000 1.163 826 I CB 1.783 39.770 38.000 -0.021 0.000 1.316 826 I HN 0.414 nan 8.210 nan 0.000 0.454 827 V N 6.465 126.453 119.914 0.123 0.000 2.599 827 V HA 0.150 4.268 4.120 -0.003 0.000 0.300 827 V C 1.321 177.478 176.094 0.106 0.000 1.034 827 V CA 1.520 63.881 62.300 0.102 0.000 1.115 827 V CB 0.509 32.357 31.823 0.042 0.000 0.934 827 V HN 1.156 nan 8.190 nan 0.000 0.485 828 G N 3.455 112.333 108.800 0.130 0.000 2.225 828 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.254 828 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.254 828 G C 0.824 175.835 174.900 0.185 0.000 0.988 828 G CA 0.883 46.069 45.100 0.142 0.000 0.625 828 G HN 0.707 nan 8.290 nan 0.000 0.527 829 Q N -0.462 119.455 119.800 0.195 0.000 2.389 829 Q HA 0.141 4.480 4.340 -0.003 0.000 0.201 829 Q C 1.572 177.742 176.000 0.284 0.000 0.956 829 Q CA 0.773 56.728 55.803 0.254 0.000 0.871 829 Q CB 0.313 29.168 28.738 0.195 0.000 0.990 829 Q HN 0.416 nan 8.270 nan 0.000 0.554 830 D N 0.868 121.415 120.400 0.245 0.000 2.350 830 D HA 0.017 4.656 4.640 -0.003 0.000 0.213 830 D C 0.130 176.516 176.300 0.143 0.000 1.031 830 D CA 0.627 54.717 54.000 0.149 0.000 0.861 830 D CB 0.698 41.621 40.800 0.205 0.000 0.926 830 D HN 0.311 nan 8.370 nan 0.000 0.520 831 T N -0.535 114.133 114.554 0.189 0.000 2.887 831 T HA 0.413 4.761 4.350 -0.003 0.000 0.288 831 T C -0.281 174.553 174.700 0.223 0.000 1.021 831 T CA -0.815 61.397 62.100 0.188 0.000 1.000 831 T CB 2.418 71.376 68.868 0.150 0.000 1.034 831 T HN -0.178 nan 8.240 nan 0.000 0.467 832 D N -0.570 119.963 120.400 0.221 0.000 2.692 832 D HA 0.280 4.918 4.640 -0.003 0.000 0.290 832 D C 1.354 177.732 176.300 0.130 0.000 1.455 832 D CA 0.013 54.131 54.000 0.195 0.000 0.796 832 D CB -0.396 40.553 40.800 0.248 0.000 1.131 832 D HN 1.231 nan 8.370 nan 0.000 0.467 833 G N 0.619 109.493 108.800 0.124 0.000 2.179 833 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.260 833 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.260 833 G C 0.938 175.897 174.900 0.098 0.000 0.977 833 G CA 0.881 46.039 45.100 0.096 0.000 0.641 833 G HN 0.817 nan 8.290 nan 0.000 0.533 834 T N -2.590 112.035 114.554 0.120 0.000 3.084 834 T HA 0.585 4.933 4.350 -0.003 0.000 0.270 834 T C 0.271 175.052 174.700 0.134 0.000 1.008 834 T CA 0.445 62.616 62.100 0.119 0.000 0.900 834 T CB 1.066 70.004 68.868 0.117 0.000 1.084 834 T HN 0.670 nan 8.240 nan 0.000 0.538 835 V N 3.540 123.539 119.914 0.140 0.000 2.370 835 V HA 0.565 4.683 4.120 -0.003 0.000 0.283 835 V C 0.779 176.950 176.094 0.130 0.000 1.023 835 V CA -0.706 61.674 62.300 0.133 0.000 0.857 835 V CB 1.163 33.066 31.823 0.135 0.000 0.985 835 V HN 0.672 nan 8.190 nan 0.000 0.443 836 T N 2.989 117.612 114.554 0.115 0.000 2.862 836 T HA 0.400 4.749 4.350 -0.003 0.000 0.276 836 T C -1.891 172.828 174.700 0.031 0.000 0.974 836 T CA -1.977 60.194 62.100 0.118 0.000 0.966 836 T CB 1.663 70.570 68.868 0.065 0.000 1.072 836 T HN 0.371 nan 8.240 nan 0.000 0.538 837 P HA -0.044 nan 4.420 nan 0.000 0.218 837 P C 1.438 178.647 177.300 -0.151 0.000 1.149 837 P CA 0.992 64.047 63.100 -0.075 0.000 0.817 837 P CB 0.031 31.677 31.700 -0.091 0.000 0.785 838 Q N -0.589 119.082 119.800 -0.215 0.000 2.049 838 Q HA -0.132 4.206 4.340 -0.003 0.000 0.198 838 Q C 1.856 177.767 176.000 -0.148 0.000 0.971 838 Q CA 1.366 57.041 55.803 -0.214 0.000 0.833 838 Q CB -0.925 27.646 28.738 -0.277 0.000 0.896 838 Q HN 0.224 nan 8.270 nan 0.000 0.434 839 D N 0.528 120.879 120.400 -0.080 0.000 2.158 839 D HA -0.172 4.466 4.640 -0.003 0.000 0.197 839 D C 1.122 177.429 176.300 0.011 0.000 0.995 839 D CA 1.595 55.600 54.000 0.008 0.000 0.846 839 D CB -0.239 40.609 40.800 0.080 0.000 0.941 839 D HN 0.321 nan 8.370 nan 0.000 0.456 840 A N -0.493 122.329 122.820 0.005 0.000 2.302 840 A HA 0.443 4.761 4.320 -0.003 0.000 0.219 840 A C 1.600 179.208 177.584 0.040 0.000 1.243 840 A CA 0.842 52.902 52.037 0.039 0.000 0.856 840 A CB -0.310 18.727 19.000 0.062 0.000 0.893 840 A HN 0.248 nan 8.150 nan 0.000 0.491 841 G N -1.449 107.348 108.800 -0.005 0.000 2.137 841 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.237 841 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.237 841 G C 0.308 175.252 174.900 0.073 0.000 1.002 841 G CA 0.496 45.622 45.100 0.043 0.000 0.702 841 G HN 0.447 nan 8.290 nan 0.000 0.515 842 M N -0.153 119.366 119.600 -0.135 0.000 2.785 842 M HA 0.252 4.730 4.480 -0.003 0.000 0.374 842 M C 1.469 177.430 176.300 -0.565 0.000 1.221 842 M CA 0.126 55.086 55.300 -0.567 0.000 0.912 842 M CB 0.687 32.982 32.600 -0.508 0.000 1.355 842 M HN 0.290 nan 8.290 nan 0.000 0.513 843 E N 1.765 121.808 120.200 -0.263 0.000 2.114 843 E HA -0.233 4.116 4.350 -0.003 0.000 0.199 843 E C 1.758 178.300 176.600 -0.098 0.000 1.008 843 E CA 2.842 59.151 56.400 -0.152 0.000 0.810 843 E CB -0.070 29.608 29.700 -0.037 0.000 0.739 843 E HN 0.717 nan 8.360 nan 0.000 0.456 844 W N -0.434 120.880 121.300 0.023 0.000 2.350 844 W HA -0.099 4.560 4.660 -0.003 0.000 0.289 844 W C 1.725 178.270 176.519 0.043 0.000 1.215 844 W CA 0.741 58.106 57.345 0.033 0.000 1.236 844 W CB -1.104 28.377 29.460 0.035 0.000 1.130 844 W HN 0.017 nan 8.180 nan 0.000 0.541 845 V N 1.930 121.552 119.914 -0.486 0.000 3.217 845 V HA -0.053 4.065 4.120 -0.003 0.000 0.264 845 V C 0.885 176.868 176.094 -0.185 0.000 1.135 845 V CA 0.621 62.686 62.300 -0.392 0.000 1.142 845 V CB -0.472 30.868 31.823 -0.805 0.000 0.754 845 V HN -0.075 nan 8.190 nan 0.000 0.484 846 V N 1.637 121.486 119.914 -0.109 0.000 2.405 846 V HA 0.189 4.307 4.120 -0.003 0.000 0.264 846 V C 0.636 176.821 176.094 0.153 0.000 1.048 846 V CA 0.258 62.588 62.300 0.049 0.000 0.966 846 V CB 0.917 32.816 31.823 0.128 0.000 1.015 846 V HN 0.437 nan 8.190 nan 0.000 0.477 847 S N 4.525 120.341 115.700 0.193 0.000 2.533 847 S HA 0.116 4.584 4.470 -0.003 0.000 0.282 847 S C 1.032 175.785 174.600 0.255 0.000 1.304 847 S CA -0.538 57.787 58.200 0.209 0.000 1.063 847 S CB 0.365 63.694 63.200 0.215 0.000 0.881 847 S HN 0.844 nan 8.310 nan 0.000 0.493 848 K N 4.600 125.099 120.400 0.164 0.000 2.417 848 K HA 0.315 4.633 4.320 -0.003 0.000 0.196 848 K C 0.753 177.416 176.600 0.105 0.000 1.023 848 K CA 0.514 56.881 56.287 0.133 0.000 1.122 848 K CB -0.049 32.511 32.500 0.101 0.000 0.850 848 K HN 0.570 nan 8.250 nan 0.000 0.521 849 L N -0.082 121.208 121.223 0.112 0.000 2.537 849 L HA 0.245 4.583 4.340 -0.003 0.000 0.224 849 L C -0.088 176.831 176.870 0.082 0.000 1.065 849 L CA -0.180 54.709 54.840 0.082 0.000 0.860 849 L CB 0.183 42.285 42.059 0.070 0.000 1.086 849 L HN 0.135 nan 8.230 nan 0.000 0.482 850 K N -1.640 118.832 120.400 0.120 0.000 2.480 850 K HA 0.490 4.809 4.320 -0.003 0.000 0.258 850 K C -1.275 175.411 176.600 0.142 0.000 0.990 850 K CA -0.799 55.554 56.287 0.110 0.000 0.857 850 K CB 1.260 33.823 32.500 0.104 0.000 1.384 850 K HN -0.310 nan 8.250 nan 0.000 0.446 851 D N 0.173 120.603 120.400 0.051 0.000 2.283 851 D HA 0.559 5.197 4.640 -0.003 0.000 0.248 851 D C -0.925 175.398 176.300 0.039 0.000 1.072 851 D CA -0.229 53.730 54.000 -0.067 0.000 0.929 851 D CB 0.464 41.206 40.800 -0.097 0.000 1.182 851 D HN 0.465 nan 8.370 nan 0.000 0.433 852 F N -0.833 119.090 119.950 -0.046 0.000 2.713 852 F HA 0.424 4.949 4.527 -0.003 0.000 0.311 852 F C -1.028 174.711 175.800 -0.101 0.000 1.141 852 F CA -1.417 56.536 58.000 -0.078 0.000 0.939 852 F CB 0.331 39.303 39.000 -0.046 0.000 1.325 852 F HN -0.009 nan 8.300 nan 0.000 0.453 853 V N 2.548 122.526 119.914 0.106 0.000 2.509 853 V HA 0.349 4.467 4.120 -0.003 0.000 0.297 853 V C 1.032 177.200 176.094 0.123 0.000 1.014 853 V CA 1.877 64.178 62.300 0.001 0.000 1.127 853 V CB -0.149 31.543 31.823 -0.219 0.000 0.925 853 V HN 1.527 nan 8.190 nan 0.000 0.480 854 G N 4.127 112.890 108.800 -0.062 0.000 2.313 854 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.215 854 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.215 854 G C 1.097 175.600 174.900 -0.661 0.000 1.023 854 G CA 0.416 45.406 45.100 -0.185 0.000 0.626 854 G HN 0.670 nan 8.290 nan 0.000 0.503 855 K N 0.702 120.569 120.400 -0.888 0.000 2.074 855 K HA -0.149 4.169 4.320 -0.003 0.000 0.209 855 K C 2.440 178.622 176.600 -0.696 0.000 1.048 855 K CA 1.998 57.575 56.287 -1.183 0.000 0.926 855 K CB -0.148 31.435 32.500 -1.529 0.000 0.713 855 K HN 0.291 nan 8.250 nan 0.000 0.444 856 R N 0.750 120.985 120.500 -0.441 0.000 2.139 856 R HA -0.057 4.281 4.340 -0.003 0.000 0.243 856 R C 1.819 178.014 176.300 -0.175 0.000 1.145 856 R CA 2.096 58.059 56.100 -0.228 0.000 0.976 856 R CB -0.671 29.543 30.300 -0.143 0.000 0.866 856 R HN 0.101 nan 8.270 nan 0.000 0.449 857 S N -0.128 115.418 115.700 -0.256 0.000 2.447 857 S HA -0.024 4.444 4.470 -0.003 0.000 0.233 857 S C 1.397 176.032 174.600 0.058 0.000 1.006 857 S CA 0.942 59.076 58.200 -0.110 0.000 0.957 857 S CB -0.323 62.814 63.200 -0.105 0.000 0.773 857 S HN 0.394 nan 8.310 nan 0.000 0.507 858 F N 1.848 121.806 119.950 0.013 0.000 2.408 858 F HA -0.095 4.431 4.527 -0.003 0.000 0.300 858 F C 2.452 178.265 175.800 0.022 0.000 1.090 858 F CA 0.575 58.591 58.000 0.026 0.000 1.427 858 F CB -0.140 38.876 39.000 0.026 0.000 1.070 858 F HN 0.286 nan 8.300 nan 0.000 0.549 859 S N -0.678 115.129 115.700 0.180 0.000 2.540 859 S HA 0.170 4.638 4.470 -0.003 0.000 0.218 859 S C 0.593 175.242 174.600 0.083 0.000 0.977 859 S CA -0.613 57.654 58.200 0.111 0.000 0.918 859 S CB -0.072 63.172 63.200 0.073 0.000 0.806 859 S HN 0.130 nan 8.310 nan 0.000 0.496 860 R N 1.690 122.242 120.500 0.087 0.000 2.738 860 R HA 0.177 4.516 4.340 -0.003 0.000 0.268 860 R C 1.443 177.784 176.300 0.068 0.000 1.062 860 R CA 0.199 56.339 56.100 0.067 0.000 1.158 860 R CB 0.333 30.672 30.300 0.065 0.000 1.046 860 R HN 0.434 nan 8.270 nan 0.000 0.493 861 E N 1.339 121.571 120.200 0.053 0.000 2.065 861 E HA -0.330 4.018 4.350 -0.003 0.000 0.201 861 E C 1.110 177.743 176.600 0.055 0.000 1.016 861 E CA 2.296 58.725 56.400 0.048 0.000 0.818 861 E CB -0.007 29.716 29.700 0.038 0.000 0.749 861 E HN 0.638 nan 8.360 nan 0.000 0.453 862 D N -0.509 119.927 120.400 0.059 0.000 2.178 862 D HA -0.102 4.537 4.640 -0.003 0.000 0.202 862 D C 1.613 177.960 176.300 0.078 0.000 0.974 862 D CA 1.099 55.137 54.000 0.063 0.000 0.841 862 D CB -0.069 40.768 40.800 0.061 0.000 0.953 862 D HN 0.201 nan 8.370 nan 0.000 0.478 863 N N -0.375 118.382 118.700 0.095 0.000 2.396 863 N HA -0.085 4.653 4.740 -0.003 0.000 0.180 863 N C 1.429 176.991 175.510 0.087 0.000 1.028 863 N CA 1.077 54.195 53.050 0.113 0.000 0.893 863 N CB 0.655 39.246 38.487 0.174 0.000 0.967 863 N HN 0.275 nan 8.380 nan 0.000 0.440 864 V N -1.898 118.061 119.914 0.075 0.000 3.483 864 V HA 0.280 4.399 4.120 -0.003 0.000 0.301 864 V C 0.833 176.961 176.094 0.056 0.000 1.389 864 V CA -0.383 61.954 62.300 0.062 0.000 1.101 864 V CB -0.223 31.634 31.823 0.057 0.000 0.971 864 V HN -0.002 nan 8.190 nan 0.000 0.434 865 R N 1.161 121.696 120.500 0.058 0.000 2.758 865 R HA 0.064 4.402 4.340 -0.003 0.000 0.263 865 R C 0.909 177.241 176.300 0.054 0.000 1.010 865 R CA 0.693 56.823 56.100 0.050 0.000 1.114 865 R CB 0.510 30.839 30.300 0.048 0.000 0.985 865 R HN 0.524 nan 8.270 nan 0.000 0.439 866 E N 0.561 120.787 120.200 0.042 0.000 2.442 866 E HA -0.090 4.258 4.350 -0.003 0.000 0.195 866 E C 0.008 176.621 176.600 0.022 0.000 1.030 866 E CA 0.571 56.997 56.400 0.042 0.000 0.869 866 E CB 0.311 30.031 29.700 0.033 0.000 0.857 866 E HN 0.525 nan 8.360 nan 0.000 0.505 867 D N -0.061 120.343 120.400 0.007 0.000 2.593 867 D HA 0.029 4.667 4.640 -0.003 0.000 0.241 867 D C -0.009 176.264 176.300 -0.045 0.000 1.257 867 D CA -0.320 53.659 54.000 -0.035 0.000 0.828 867 D CB -0.173 40.616 40.800 -0.018 0.000 1.049 867 D HN -0.123 nan 8.370 nan 0.000 0.490 868 R N 1.046 121.542 120.500 -0.005 0.000 2.640 868 R HA 0.109 4.447 4.340 -0.003 0.000 0.270 868 R C 0.356 176.628 176.300 -0.047 0.000 1.024 868 R CA 0.125 56.244 56.100 0.031 0.000 1.085 868 R CB 0.864 31.238 30.300 0.123 0.000 0.963 868 R HN 0.047 nan 8.270 nan 0.000 0.426 869 K N 3.031 123.445 120.400 0.022 0.000 2.416 869 K HA 0.016 4.335 4.320 -0.003 0.000 0.283 869 K C -0.295 176.375 176.600 0.115 0.000 1.037 869 K CA 0.430 56.723 56.287 0.011 0.000 0.995 869 K CB 0.323 32.870 32.500 0.080 0.000 0.938 869 K HN 0.518 nan 8.250 nan 0.000 0.475 870 H N 1.382 120.458 119.070 0.009 0.000 2.499 870 H HA 0.210 4.764 4.556 -0.003 0.000 0.340 870 H C -0.342 174.972 175.328 -0.022 0.000 1.148 870 H CA -1.085 54.964 56.048 0.000 0.000 1.215 870 H CB 1.567 31.331 29.762 0.004 0.000 1.529 870 H HN 0.235 nan 8.280 nan 0.000 0.510 871 L N 4.843 126.130 121.223 0.108 0.000 2.385 871 L HA 0.159 4.497 4.340 -0.003 0.000 0.281 871 L C -0.239 176.654 176.870 0.039 0.000 1.106 871 L CA 0.006 54.861 54.840 0.025 0.000 0.856 871 L CB -0.248 41.829 42.059 0.029 0.000 1.186 871 L HN 0.492 nan 8.230 nan 0.000 0.453 872 V N 1.795 121.713 119.914 0.008 0.000 3.105 872 V HA 0.760 4.878 4.120 -0.003 0.000 0.311 872 V C -0.169 175.927 176.094 0.002 0.000 1.282 872 V CA -0.522 61.790 62.300 0.021 0.000 1.065 872 V CB 1.733 33.577 31.823 0.036 0.000 1.136 872 V HN 0.722 nan 8.190 nan 0.000 0.469 873 S N -0.742 114.973 115.700 0.025 0.000 2.739 873 S HA 0.905 5.373 4.470 -0.003 0.000 0.306 873 S C -0.848 173.778 174.600 0.044 0.000 1.115 873 S CA -0.617 57.618 58.200 0.059 0.000 0.985 873 S CB 1.762 65.026 63.200 0.106 0.000 1.133 873 S HN 1.531 nan 8.310 nan 0.000 0.541 874 V N 0.874 120.831 119.914 0.073 0.000 2.888 874 V HA 0.566 4.684 4.120 -0.003 0.000 0.309 874 V C -1.649 174.497 176.094 0.086 0.000 1.114 874 V CA -0.831 61.495 62.300 0.043 0.000 0.940 874 V CB 1.837 33.656 31.823 -0.006 0.000 1.021 874 V HN 0.915 nan 8.190 nan 0.000 0.426 875 L N 7.152 128.413 121.223 0.064 0.000 2.415 875 L HA 0.485 4.823 4.340 -0.003 0.000 0.268 875 L C -2.585 174.314 176.870 0.049 0.000 0.984 875 L CA -1.688 53.198 54.840 0.077 0.000 0.853 875 L CB 2.247 44.344 42.059 0.065 0.000 1.215 875 L HN 0.432 nan 8.230 nan 0.000 0.419 876 P HA -0.036 nan 4.420 nan 0.000 0.264 876 P C 1.179 178.497 177.300 0.030 0.000 1.193 876 P CA -0.191 62.927 63.100 0.030 0.000 0.763 876 P CB 0.909 32.624 31.700 0.025 0.000 0.810 877 V N 0.509 120.436 119.914 0.022 0.000 2.392 877 V HA -0.181 3.937 4.120 -0.003 0.000 0.249 877 V C 0.930 177.035 176.094 0.018 0.000 1.059 877 V CA 1.778 64.089 62.300 0.019 0.000 1.051 877 V CB -1.199 30.632 31.823 0.014 0.000 0.658 877 V HN 0.382 nan 8.190 nan 0.000 0.455 878 D N 1.507 121.917 120.400 0.017 0.000 2.348 878 D HA 0.111 4.749 4.640 -0.003 0.000 0.259 878 D C 1.461 177.775 176.300 0.024 0.000 1.296 878 D CA 0.827 54.837 54.000 0.017 0.000 0.931 878 D CB 1.093 41.900 40.800 0.012 0.000 1.067 878 D HN 0.605 nan 8.370 nan 0.000 0.503 879 S N 1.725 117.442 115.700 0.027 0.000 2.595 879 S HA -0.127 4.341 4.470 -0.003 0.000 0.235 879 S C 1.342 175.968 174.600 0.043 0.000 0.974 879 S CA 0.778 59.002 58.200 0.040 0.000 0.942 879 S CB -0.227 62.996 63.200 0.038 0.000 0.766 879 S HN 0.345 nan 8.310 nan 0.000 0.536 880 S N -0.164 115.553 115.700 0.029 0.000 2.603 880 S HA 0.353 4.822 4.470 -0.003 0.000 0.232 880 S C 0.077 174.686 174.600 0.016 0.000 1.016 880 S CA -0.622 57.592 58.200 0.024 0.000 0.976 880 S CB -0.363 62.842 63.200 0.009 0.000 0.921 880 S HN 0.397 nan 8.310 nan 0.000 0.516 881 L N 3.511 124.743 121.223 0.015 0.000 2.385 881 L HA 0.454 4.793 4.340 -0.003 0.000 0.281 881 L C 0.198 177.069 176.870 0.002 0.000 1.106 881 L CA -0.094 54.750 54.840 0.007 0.000 0.856 881 L CB 0.234 42.297 42.059 0.006 0.000 1.186 881 L HN 0.231 nan 8.230 nan 0.000 0.453 882 R N 5.426 125.921 120.500 -0.008 0.000 2.196 882 R HA 0.376 4.715 4.340 -0.003 0.000 0.340 882 R C -0.667 175.610 176.300 -0.039 0.000 1.043 882 R CA -0.591 55.491 56.100 -0.030 0.000 0.883 882 R CB 0.344 30.623 30.300 -0.034 0.000 1.078 882 R HN 0.747 nan 8.270 nan 0.000 0.462 883 L N 3.302 124.492 121.223 -0.055 0.000 2.483 883 L HA 0.107 4.445 4.340 -0.003 0.000 0.276 883 L C 0.641 177.479 176.870 -0.054 0.000 1.213 883 L CA -0.170 54.641 54.840 -0.048 0.000 0.843 883 L CB 0.720 42.744 42.059 -0.058 0.000 1.107 883 L HN 0.714 nan 8.230 nan 0.000 0.487 884 A N 3.455 126.264 122.820 -0.019 0.000 2.454 884 A HA 0.159 4.477 4.320 -0.003 0.000 0.260 884 A C 0.155 177.745 177.584 0.010 0.000 1.106 884 A CA -0.422 51.615 52.037 -0.000 0.000 0.780 884 A CB -0.115 18.899 19.000 0.023 0.000 1.044 884 A HN 0.766 nan 8.150 nan 0.000 0.498 885 E N 0.943 121.149 120.200 0.010 0.000 2.480 885 E HA 0.310 4.659 4.350 -0.003 0.000 0.258 885 E C 1.178 177.874 176.600 0.159 0.000 0.984 885 E CA 1.201 57.641 56.400 0.066 0.000 0.930 885 E CB 0.261 30.011 29.700 0.083 0.000 0.936 885 E HN 1.163 nan 8.360 nan 0.000 0.466 886 G N 2.330 111.300 108.800 0.283 0.000 2.253 886 G HA2 -0.260 3.699 3.960 -0.003 0.000 0.209 886 G HA3 -0.260 3.699 3.960 -0.003 0.000 0.209 886 G C 0.428 175.469 174.900 0.236 0.000 0.997 886 G CA -0.302 44.983 45.100 0.308 0.000 0.640 886 G HN 0.823 nan 8.290 nan 0.000 0.496 887 A N 0.704 123.622 122.820 0.163 0.000 2.567 887 A HA 0.613 4.931 4.320 -0.003 0.000 0.240 887 A C 1.050 178.725 177.584 0.151 0.000 1.053 887 A CA 1.398 53.502 52.037 0.111 0.000 0.755 887 A CB 0.116 19.150 19.000 0.058 0.000 0.978 887 A HN 2.138 nan 8.150 nan 0.000 0.507 888 A N 2.591 125.478 122.820 0.110 0.000 2.354 888 A HA 0.586 4.904 4.320 -0.003 0.000 0.269 888 A C -0.315 177.320 177.584 0.085 0.000 1.109 888 A CA -0.320 51.787 52.037 0.117 0.000 0.800 888 A CB 0.143 19.186 19.000 0.072 0.000 1.045 888 A HN 0.738 nan 8.150 nan 0.000 0.489 889 L N 2.342 123.618 121.223 0.089 0.000 2.329 889 L HA 0.621 4.959 4.340 -0.003 0.000 0.279 889 L C -0.074 176.822 176.870 0.044 0.000 1.014 889 L CA -0.452 54.420 54.840 0.053 0.000 0.814 889 L CB 1.341 43.425 42.059 0.042 0.000 1.257 889 L HN 0.442 nan 8.230 nan 0.000 0.424 890 V N 2.109 122.041 119.914 0.030 0.000 2.823 890 V HA 0.783 4.901 4.120 -0.003 0.000 0.312 890 V C 0.126 176.230 176.094 0.016 0.000 1.072 890 V CA -0.999 61.315 62.300 0.023 0.000 0.937 890 V CB 2.171 34.007 31.823 0.021 0.000 1.013 890 V HN 0.930 nan 8.190 nan 0.000 0.430 891 A N 3.178 126.006 122.820 0.013 0.000 2.483 891 A HA 0.527 4.845 4.320 -0.003 0.000 0.238 891 A C 1.545 179.134 177.584 0.009 0.000 1.070 891 A CA 0.592 52.635 52.037 0.009 0.000 0.770 891 A CB 0.298 19.303 19.000 0.007 0.000 1.008 891 A HN 1.589 nan 8.150 nan 0.000 0.497 892 A N 1.364 124.188 122.820 0.008 0.000 1.978 892 A HA -0.160 4.158 4.320 -0.003 0.000 0.220 892 A C 1.367 178.955 177.584 0.007 0.000 1.170 892 A CA 2.039 54.080 52.037 0.007 0.000 0.636 892 A CB -0.502 18.502 19.000 0.006 0.000 0.810 892 A HN 0.900 nan 8.150 nan 0.000 0.448 893 D N -0.316 120.088 120.400 0.006 0.000 2.328 893 D HA 0.367 5.006 4.640 -0.003 0.000 0.221 893 D C 0.601 176.904 176.300 0.006 0.000 1.072 893 D CA 0.375 54.378 54.000 0.006 0.000 0.850 893 D CB -0.713 40.090 40.800 0.005 0.000 0.922 893 D HN 0.374 nan 8.370 nan 0.000 0.516 894 A N 0.779 123.603 122.820 0.007 0.000 2.546 894 A HA 0.432 4.751 4.320 -0.003 0.000 0.243 894 A C 0.498 178.086 177.584 0.007 0.000 1.063 894 A CA -0.176 51.865 52.037 0.008 0.000 0.757 894 A CB 0.144 19.150 19.000 0.010 0.000 0.991 894 A HN 0.355 nan 8.150 nan 0.000 0.503 895 V N -0.433 119.485 119.914 0.006 0.000 2.960 895 V HA 0.893 5.012 4.120 -0.003 0.000 0.315 895 V C 0.241 176.338 176.094 0.006 0.000 1.087 895 V CA -0.621 61.682 62.300 0.006 0.000 0.982 895 V CB 1.427 33.252 31.823 0.005 0.000 1.039 895 V HN 1.542 nan 8.190 nan 0.000 0.437 896 A N 1.989 124.812 122.820 0.005 0.000 2.276 896 A HA 0.715 5.033 4.320 -0.003 0.000 0.300 896 A C 0.337 177.924 177.584 0.004 0.000 1.235 896 A CA -0.285 51.754 52.037 0.004 0.000 0.867 896 A CB 0.174 19.176 19.000 0.004 0.000 1.137 896 A HN 1.003 nan 8.150 nan 0.000 0.527 897 S N 2.245 117.947 115.700 0.003 0.000 2.422 897 S HA 0.365 4.833 4.470 -0.003 0.000 0.298 897 S C 0.179 174.780 174.600 0.002 0.000 1.118 897 S CA -0.397 57.805 58.200 0.003 0.000 1.083 897 S CB 0.492 63.694 63.200 0.003 0.000 0.971 897 S HN 0.823 nan 8.310 nan 0.000 0.478 898 E N 1.548 121.749 120.200 0.002 0.000 2.389 898 E HA -0.262 4.087 4.350 -0.003 0.000 0.243 898 E C 0.955 177.556 176.600 0.001 0.000 1.154 898 E CA 0.448 56.848 56.400 0.001 0.000 0.723 898 E CB -1.492 28.209 29.700 0.001 0.000 1.261 898 E HN 1.288 nan 8.360 nan 0.000 0.390 899 G N -1.447 107.354 108.800 0.001 0.000 2.184 899 G HA2 -0.361 3.597 3.960 -0.003 0.000 0.264 899 G HA3 -0.361 3.597 3.960 -0.003 0.000 0.264 899 G C 0.319 175.219 174.900 0.001 0.000 0.975 899 G CA 0.330 45.431 45.100 0.001 0.000 0.642 899 G HN 0.404 nan 8.290 nan 0.000 0.536 900 V N 1.619 121.534 119.914 0.001 0.000 2.364 900 V HA 0.666 4.784 4.120 -0.003 0.000 0.272 900 V C 0.571 176.667 176.094 0.004 0.000 1.036 900 V CA 0.372 62.673 62.300 0.002 0.000 0.880 900 V CB 1.462 33.286 31.823 0.001 0.000 0.991 900 V HN 0.618 nan 8.190 nan 0.000 0.460 901 T N 5.704 120.261 114.554 0.005 0.000 2.792 901 T HA 0.580 4.928 4.350 -0.003 0.000 0.280 901 T C -2.564 172.142 174.700 0.009 0.000 0.990 901 T CA -1.932 60.173 62.100 0.007 0.000 0.960 901 T CB 1.541 70.414 68.868 0.008 0.000 0.939 901 T HN 0.457 nan 8.240 nan 0.000 0.439 902 P HA 0.203 nan 4.420 nan 0.000 0.262 902 P C -0.567 176.743 177.300 0.017 0.000 1.182 902 P CA 0.135 63.242 63.100 0.012 0.000 0.761 902 P CB 0.273 31.979 31.700 0.011 0.000 0.795 903 M N 2.342 121.956 119.600 0.023 0.000 2.472 903 M HA 0.167 4.645 4.480 -0.003 0.000 0.331 903 M C 1.144 177.467 176.300 0.040 0.000 1.170 903 M CA -0.472 54.849 55.300 0.036 0.000 1.009 903 M CB 1.762 34.389 32.600 0.046 0.000 1.672 903 M HN 0.265 nan 8.290 nan 0.000 0.453 904 E N 0.950 121.175 120.200 0.042 0.000 2.400 904 E HA 0.314 4.662 4.350 -0.003 0.000 0.195 904 E C 0.680 177.312 176.600 0.053 0.000 1.012 904 E CA 0.303 56.722 56.400 0.032 0.000 0.875 904 E CB 0.734 30.443 29.700 0.016 0.000 0.859 904 E HN 0.949 nan 8.360 nan 0.000 0.498 905 G N 0.078 108.938 108.800 0.101 0.000 2.351 905 G HA2 0.229 4.187 3.960 -0.003 0.000 0.279 905 G HA3 0.229 4.187 3.960 -0.003 0.000 0.279 905 G C -1.790 173.268 174.900 0.264 0.000 1.297 905 G CA -0.444 44.765 45.100 0.181 0.000 0.886 905 G HN 0.041 nan 8.290 nan 0.000 0.493 906 W N -0.745 120.548 121.300 -0.013 0.000 3.074 906 W HA 0.690 5.348 4.660 -0.003 0.000 0.332 906 W C -1.363 175.136 176.519 -0.033 0.000 1.253 906 W CA -1.323 56.012 57.345 -0.017 0.000 1.180 906 W CB 0.834 30.289 29.460 -0.008 0.000 1.445 906 W HN 0.684 nan 8.180 nan 0.000 0.573 907 V N 2.635 122.525 119.914 -0.039 0.000 2.385 907 V HA 0.169 4.287 4.120 -0.003 0.000 0.269 907 V C 1.338 177.232 176.094 -0.333 0.000 1.043 907 V CA 0.562 62.718 62.300 -0.240 0.000 0.906 907 V CB 0.782 32.546 31.823 -0.099 0.000 0.995 907 V HN 0.719 nan 8.190 nan 0.000 0.467 908 T N 0.600 114.732 114.554 -0.703 0.000 3.009 908 T HA 0.096 4.445 4.350 -0.003 0.000 0.258 908 T C 0.556 175.127 174.700 -0.214 0.000 1.063 908 T CA 0.669 62.379 62.100 -0.650 0.000 1.139 908 T CB -0.021 68.360 68.868 -0.811 0.000 0.890 908 T HN 0.820 nan 8.240 nan 0.000 0.471 909 H N -0.431 118.518 119.070 -0.201 0.000 3.037 909 H HA 0.725 5.279 4.556 -0.003 0.000 0.336 909 H C -1.697 173.310 175.328 -0.536 0.000 1.323 909 H CA -1.250 54.618 56.048 -0.299 0.000 1.159 909 H CB 1.321 30.963 29.762 -0.201 0.000 1.882 909 H HN 0.317 nan 8.280 nan 0.000 0.535 910 A N 1.644 124.019 122.820 -0.743 0.000 2.427 910 A HA 0.661 4.979 4.320 -0.003 0.000 0.298 910 A C -1.989 174.919 177.584 -1.127 0.000 1.036 910 A CA -0.622 50.960 52.037 -0.758 0.000 0.701 910 A CB 1.347 20.119 19.000 -0.379 0.000 1.250 910 A HN 0.532 nan 8.150 nan 0.000 0.412 911 Y N 0.367 120.397 120.300 -0.451 0.000 2.605 911 Y HA 0.507 5.055 4.550 -0.003 0.000 0.343 911 Y C 0.325 176.155 175.900 -0.116 0.000 1.036 911 Y CA -0.929 57.021 58.100 -0.250 0.000 1.065 911 Y CB 1.904 40.234 38.460 -0.215 0.000 1.288 911 Y HN 0.729 nan 8.280 nan 0.000 0.481 912 N N 0.638 119.446 118.700 0.180 0.000 2.444 912 N HA 0.270 5.008 4.740 -0.003 0.000 0.262 912 N C -1.405 174.259 175.510 0.256 0.000 0.974 912 N CA -0.075 53.104 53.050 0.214 0.000 0.933 912 N CB 0.876 39.478 38.487 0.192 0.000 1.137 912 N HN 0.556 nan 8.380 nan 0.000 0.498 913 S N 4.510 120.368 115.700 0.263 0.000 2.448 913 S HA 0.362 4.830 4.470 -0.003 0.000 0.320 913 S C -1.743 172.825 174.600 -0.054 0.000 1.071 913 S CA -1.867 56.402 58.200 0.116 0.000 1.113 913 S CB 1.304 64.615 63.200 0.185 0.000 0.972 913 S HN 0.497 nan 8.310 nan 0.000 0.465 914 P HA -0.112 nan 4.420 nan 0.000 0.215 914 P C 1.447 178.593 177.300 -0.256 0.000 1.157 914 P CA 1.660 64.462 63.100 -0.495 0.000 0.874 914 P CB 0.054 31.252 31.700 -0.837 0.000 0.790 915 A N -0.852 121.762 122.820 -0.343 0.000 1.908 915 A HA -0.165 4.153 4.320 -0.003 0.000 0.218 915 A C 2.145 179.638 177.584 -0.152 0.000 1.181 915 A CA 1.644 53.458 52.037 -0.372 0.000 0.627 915 A CB -1.604 16.821 19.000 -0.959 0.000 0.818 915 A HN 0.160 nan 8.150 nan 0.000 0.445 916 L N -1.592 119.549 121.223 -0.136 0.000 2.529 916 L HA 0.215 4.553 4.340 -0.003 0.000 0.223 916 L C 1.632 178.505 176.870 0.006 0.000 1.113 916 L CA 0.459 55.272 54.840 -0.046 0.000 0.861 916 L CB -0.168 41.828 42.059 -0.104 0.000 1.012 916 L HN 0.571 nan 8.230 nan 0.000 0.461 917 G N 1.802 110.613 108.800 0.019 0.000 2.198 917 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.260 917 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.260 917 G C 0.236 175.189 174.900 0.088 0.000 1.025 917 G CA 0.742 45.883 45.100 0.067 0.000 0.769 917 G HN 0.563 nan 8.290 nan 0.000 0.507 918 R N -2.257 118.308 120.500 0.109 0.000 2.741 918 R HA 0.602 4.941 4.340 -0.003 0.000 0.276 918 R C -0.096 176.316 176.300 0.188 0.000 1.028 918 R CA -0.220 55.953 56.100 0.122 0.000 0.865 918 R CB -0.132 30.221 30.300 0.089 0.000 1.268 918 R HN 0.610 nan 8.270 nan 0.000 0.475 919 T N -0.358 114.295 114.554 0.165 0.000 2.899 919 T HA 0.607 4.955 4.350 -0.003 0.000 0.295 919 T C 0.102 174.969 174.700 0.280 0.000 1.033 919 T CA -0.298 61.914 62.100 0.186 0.000 1.084 919 T CB 0.398 69.316 68.868 0.082 0.000 0.979 919 T HN 0.523 nan 8.240 nan 0.000 0.532 920 F N -1.607 118.370 119.950 0.046 0.000 2.741 920 F HA 0.815 5.341 4.527 -0.003 0.000 0.313 920 F C -0.572 175.244 175.800 0.026 0.000 1.153 920 F CA -1.067 56.953 58.000 0.033 0.000 0.931 920 F CB 1.113 40.139 39.000 0.044 0.000 1.335 920 F HN 0.970 nan 8.300 nan 0.000 0.460 921 G N 1.076 109.830 108.800 -0.076 0.000 2.690 921 G HA2 0.615 4.573 3.960 -0.003 0.000 0.291 921 G HA3 0.615 4.573 3.960 -0.003 0.000 0.291 921 G C -2.144 172.735 174.900 -0.036 0.000 1.403 921 G CA -1.183 43.751 45.100 -0.277 0.000 0.864 921 G HN 0.842 nan 8.290 nan 0.000 0.480 922 L N 0.254 121.357 121.223 -0.200 0.000 2.379 922 L HA 0.774 5.112 4.340 -0.003 0.000 0.269 922 L C 0.516 177.157 176.870 -0.380 0.000 1.084 922 L CA -0.677 54.022 54.840 -0.234 0.000 0.802 922 L CB 1.653 43.527 42.059 -0.308 0.000 1.175 922 L HN 0.737 nan 8.230 nan 0.000 0.448 923 A N 2.798 125.439 122.820 -0.299 0.000 2.594 923 A HA 0.728 5.046 4.320 -0.003 0.000 0.295 923 A C -1.341 176.051 177.584 -0.320 0.000 1.071 923 A CA -0.531 51.286 52.037 -0.367 0.000 0.685 923 A CB 1.433 20.298 19.000 -0.226 0.000 1.285 923 A HN 0.590 nan 8.150 nan 0.000 0.405 924 L N 2.038 122.988 121.223 -0.454 0.000 2.265 924 L HA 0.621 4.959 4.340 -0.003 0.000 0.289 924 L C -0.879 175.922 176.870 -0.115 0.000 1.033 924 L CA -0.067 54.622 54.840 -0.252 0.000 0.814 924 L CB 0.974 42.873 42.059 -0.267 0.000 1.203 924 L HN 0.581 nan 8.230 nan 0.000 0.423 925 I N 3.213 123.751 120.570 -0.054 0.000 2.569 925 I HA 0.217 4.386 4.170 -0.003 0.000 0.290 925 I C 0.847 176.911 176.117 -0.088 0.000 1.088 925 I CA -0.758 60.517 61.300 -0.042 0.000 1.047 925 I CB 2.296 40.270 38.000 -0.043 0.000 1.237 925 I HN 0.572 nan 8.210 nan 0.000 0.421 926 K N 2.579 122.937 120.400 -0.070 0.000 2.044 926 K HA -0.261 4.057 4.320 -0.003 0.000 0.224 926 K C 0.850 177.277 176.600 -0.289 0.000 1.056 926 K CA 2.261 58.478 56.287 -0.117 0.000 0.962 926 K CB -0.122 32.343 32.500 -0.058 0.000 0.730 926 K HN 0.568 nan 8.250 nan 0.000 0.453 927 N N -0.720 117.820 118.700 -0.268 0.000 2.644 927 N HA 0.125 4.863 4.740 -0.003 0.000 0.313 927 N C 0.453 175.793 175.510 -0.283 0.000 1.863 927 N CA 0.043 52.840 53.050 -0.421 0.000 0.918 927 N CB 0.876 39.262 38.487 -0.168 0.000 1.320 927 N HN 0.162 nan 8.380 nan 0.000 0.490 928 G N 0.323 108.951 108.800 -0.286 0.000 2.432 928 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.219 928 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.219 928 G C 1.515 176.499 174.900 0.141 0.000 1.135 928 G CA 0.315 45.415 45.100 -0.001 0.000 0.767 928 G HN 0.387 nan 8.290 nan 0.000 0.550 929 R N 0.185 120.916 120.500 0.385 0.000 2.152 929 R HA -0.012 4.326 4.340 -0.003 0.000 0.232 929 R C 1.287 177.664 176.300 0.128 0.000 1.117 929 R CA 0.997 57.227 56.100 0.217 0.000 0.981 929 R CB -0.039 30.350 30.300 0.149 0.000 0.870 929 R HN 0.264 nan 8.270 nan 0.000 0.451 930 N N 0.390 119.168 118.700 0.130 0.000 2.270 930 N HA 0.027 4.765 4.740 -0.003 0.000 0.198 930 N C 0.284 175.818 175.510 0.040 0.000 1.117 930 N CA 0.371 53.464 53.050 0.072 0.000 0.845 930 N CB 0.634 39.166 38.487 0.075 0.000 0.980 930 N HN 0.167 nan 8.380 nan 0.000 0.486 931 R N 0.333 120.854 120.500 0.034 0.000 2.613 931 R HA 0.295 4.633 4.340 -0.003 0.000 0.361 931 R C -0.082 176.228 176.300 0.017 0.000 1.072 931 R CA -0.415 55.695 56.100 0.017 0.000 1.089 931 R CB 0.749 31.050 30.300 0.003 0.000 1.343 931 R HN -0.024 nan 8.270 nan 0.000 0.571 932 I N 1.332 121.915 120.570 0.022 0.000 2.821 932 I HA -0.069 4.099 4.170 -0.003 0.000 0.294 932 I C 1.496 177.619 176.117 0.010 0.000 1.210 932 I CA 1.464 62.773 61.300 0.016 0.000 1.430 932 I CB -0.228 37.780 38.000 0.014 0.000 1.356 932 I HN 0.663 nan 8.210 nan 0.000 0.563 933 G N 4.952 113.757 108.800 0.008 0.000 2.254 933 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.225 933 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.225 933 G C 0.366 175.270 174.900 0.007 0.000 1.003 933 G CA 0.131 45.234 45.100 0.006 0.000 0.622 933 G HN 0.651 nan 8.290 nan 0.000 0.507 934 E N 0.711 120.915 120.200 0.007 0.000 2.413 934 E HA 0.398 4.747 4.350 -0.003 0.000 0.263 934 E C 0.034 176.637 176.600 0.006 0.000 1.015 934 E CA -0.244 56.160 56.400 0.006 0.000 0.916 934 E CB 0.758 30.461 29.700 0.005 0.000 0.947 934 E HN 0.139 nan 8.360 nan 0.000 0.440 935 V N 6.338 126.256 119.914 0.006 0.000 2.407 935 V HA 0.259 4.377 4.120 -0.003 0.000 0.278 935 V C 0.299 176.397 176.094 0.007 0.000 1.037 935 V CA -0.292 62.012 62.300 0.007 0.000 0.900 935 V CB 0.894 32.721 31.823 0.007 0.000 0.983 935 V HN 0.589 nan 8.190 nan 0.000 0.459 936 L N 4.669 125.896 121.223 0.008 0.000 2.298 936 L HA 0.684 5.022 4.340 -0.003 0.000 0.268 936 L C -0.196 176.680 176.870 0.010 0.000 1.010 936 L CA -0.982 53.863 54.840 0.009 0.000 0.812 936 L CB 1.942 44.006 42.059 0.008 0.000 1.331 936 L HN 0.482 nan 8.230 nan 0.000 0.450 937 K N -0.379 120.028 120.400 0.012 0.000 2.385 937 K HA 0.716 5.034 4.320 -0.003 0.000 0.248 937 K C -1.373 175.237 176.600 0.016 0.000 0.955 937 K CA -0.622 55.673 56.287 0.013 0.000 0.816 937 K CB 2.410 34.917 32.500 0.012 0.000 1.250 937 K HN 0.612 nan 8.250 nan 0.000 0.434 938 T N 0.306 114.869 114.554 0.016 0.000 2.916 938 T HA 0.428 4.776 4.350 -0.003 0.000 0.305 938 T C -2.915 171.795 174.700 0.016 0.000 1.119 938 T CA -2.073 60.038 62.100 0.019 0.000 1.008 938 T CB 1.717 70.596 68.868 0.019 0.000 1.129 938 T HN 0.274 nan 8.240 nan 0.000 0.480 939 P HA 0.520 nan 4.420 nan 0.000 0.282 939 P C -1.116 176.192 177.300 0.013 0.000 1.262 939 P CA -0.473 62.635 63.100 0.014 0.000 0.773 939 P CB 0.760 32.469 31.700 0.014 0.000 0.879 940 V N 3.373 123.294 119.914 0.010 0.000 2.668 940 V HA 0.180 4.299 4.120 -0.003 0.000 0.304 940 V C -0.296 175.803 176.094 0.008 0.000 1.071 940 V CA -0.612 61.693 62.300 0.009 0.000 0.894 940 V CB 1.632 33.459 31.823 0.007 0.000 1.008 940 V HN 0.554 nan 8.190 nan 0.000 0.425 941 D N 3.849 124.254 120.400 0.008 0.000 2.701 941 D HA -0.201 4.438 4.640 -0.003 0.000 0.235 941 D C 1.332 177.636 176.300 0.006 0.000 1.155 941 D CA 1.977 55.981 54.000 0.007 0.000 0.649 941 D CB -1.107 39.696 40.800 0.005 0.000 1.050 941 D HN 1.563 nan 8.370 nan 0.000 0.425 942 G N -1.010 107.794 108.800 0.007 0.000 2.199 942 G HA2 -0.343 3.616 3.960 -0.003 0.000 0.254 942 G HA3 -0.343 3.616 3.960 -0.003 0.000 0.254 942 G C 0.212 175.116 174.900 0.006 0.000 0.982 942 G CA 0.560 45.664 45.100 0.007 0.000 0.632 942 G HN 0.530 nan 8.290 nan 0.000 0.529 943 Q N -0.748 119.056 119.800 0.007 0.000 2.387 943 Q HA 0.705 5.044 4.340 -0.003 0.000 0.273 943 Q C -0.014 175.991 176.000 0.008 0.000 1.089 943 Q CA -0.968 54.839 55.803 0.007 0.000 0.824 943 Q CB 1.910 30.651 28.738 0.006 0.000 1.367 943 Q HN 0.271 nan 8.270 nan 0.000 0.443 944 L N 2.139 123.367 121.223 0.008 0.000 2.361 944 L HA 0.267 4.606 4.340 -0.003 0.000 0.278 944 L C -0.572 176.303 176.870 0.008 0.000 1.113 944 L CA -0.389 54.457 54.840 0.009 0.000 0.849 944 L CB 0.275 42.339 42.059 0.009 0.000 1.155 944 L HN 0.276 nan 8.230 nan 0.000 0.452 945 V N 1.646 121.566 119.914 0.009 0.000 2.881 945 V HA 0.350 4.468 4.120 -0.003 0.000 0.316 945 V C -0.365 175.734 176.094 0.009 0.000 1.070 945 V CA -1.007 61.298 62.300 0.009 0.000 0.976 945 V CB 2.133 33.961 31.823 0.008 0.000 1.038 945 V HN 0.538 nan 8.190 nan 0.000 0.446 946 D N 2.008 122.414 120.400 0.009 0.000 2.256 946 D HA 0.499 5.137 4.640 -0.003 0.000 0.250 946 D C -0.267 176.039 176.300 0.011 0.000 1.093 946 D CA 0.125 54.131 54.000 0.010 0.000 0.882 946 D CB 1.783 42.589 40.800 0.009 0.000 1.185 946 D HN 0.559 nan 8.370 nan 0.000 0.437 947 V N -0.071 119.850 119.914 0.011 0.000 2.735 947 V HA 0.515 4.633 4.120 -0.003 0.000 0.310 947 V C -0.692 175.410 176.094 0.013 0.000 1.061 947 V CA -0.985 61.323 62.300 0.013 0.000 0.913 947 V CB 1.977 33.806 31.823 0.010 0.000 1.005 947 V HN 0.414 nan 8.190 nan 0.000 0.428 948 Q N 2.448 122.259 119.800 0.017 0.000 2.290 948 Q HA 0.605 4.944 4.340 -0.003 0.000 0.259 948 Q C -0.533 175.477 176.000 0.016 0.000 0.941 948 Q CA -0.658 55.154 55.803 0.015 0.000 0.912 948 Q CB 1.989 30.736 28.738 0.015 0.000 1.244 948 Q HN 1.167 nan 8.270 nan 0.000 0.441 949 V N 3.304 123.225 119.914 0.012 0.000 2.572 949 V HA 0.429 4.547 4.120 -0.003 0.000 0.291 949 V C -0.670 175.433 176.094 0.014 0.000 1.039 949 V CA 0.700 63.007 62.300 0.012 0.000 1.055 949 V CB 1.155 32.982 31.823 0.007 0.000 0.969 949 V HN 0.814 nan 8.190 nan 0.000 0.482 950 S N 3.623 119.334 115.700 0.017 0.000 2.720 950 S HA 0.470 4.938 4.470 -0.003 0.000 0.287 950 S C -1.006 173.601 174.600 0.012 0.000 1.168 950 S CA -0.826 57.381 58.200 0.012 0.000 0.832 950 S CB 1.669 64.876 63.200 0.011 0.000 1.166 950 S HN 0.932 nan 8.310 nan 0.000 0.493 951 D N 1.681 122.080 120.400 -0.001 0.000 2.382 951 D HA 0.085 4.724 4.640 -0.003 0.000 0.240 951 D C 1.169 177.467 176.300 -0.003 0.000 1.146 951 D CA -0.238 53.760 54.000 -0.004 0.000 0.897 951 D CB 0.780 41.566 40.800 -0.023 0.000 1.197 951 D HN 0.343 nan 8.370 nan 0.000 0.432 952 L N 2.307 123.534 121.223 0.007 0.000 2.046 952 L HA -0.104 4.234 4.340 -0.003 0.000 0.208 952 L C 0.484 177.342 176.870 -0.021 0.000 1.077 952 L CA 1.545 56.394 54.840 0.016 0.000 0.747 952 L CB 0.115 42.198 42.059 0.041 0.000 0.896 952 L HN 0.193 nan 8.230 nan 0.000 0.432 953 V N 1.664 121.548 119.914 -0.050 0.000 2.334 953 V HA 0.116 4.235 4.120 -0.003 0.000 0.267 953 V C 1.123 177.144 176.094 -0.123 0.000 1.040 953 V CA -0.074 62.161 62.300 -0.109 0.000 0.866 953 V CB 0.979 32.731 31.823 -0.119 0.000 1.019 953 V HN 0.307 nan 8.190 nan 0.000 0.468 954 L N 3.837 124.965 121.223 -0.158 0.000 2.357 954 L HA 0.318 4.657 4.340 -0.003 0.000 0.211 954 L C 0.596 177.398 176.870 -0.113 0.000 1.075 954 L CA 0.748 55.490 54.840 -0.162 0.000 0.830 954 L CB 0.181 42.077 42.059 -0.272 0.000 0.996 954 L HN 0.514 nan 8.230 nan 0.000 0.467 955 F N 1.241 121.019 119.950 -0.288 0.000 2.411 955 F HA 0.266 4.792 4.527 -0.002 0.000 0.352 955 F C 0.244 175.912 175.800 -0.220 0.000 1.123 955 F CA -1.246 56.601 58.000 -0.255 0.000 1.044 955 F CB 0.529 39.357 39.000 -0.287 0.000 1.135 955 F HN -0.005 nan 8.300 nan 0.000 0.461 956 D N 6.042 125.901 120.400 -0.901 0.000 2.697 956 D HA -0.162 4.477 4.640 -0.003 0.000 0.238 956 D C -1.832 174.231 176.300 -0.396 0.000 1.152 956 D CA 0.580 54.136 54.000 -0.739 0.000 0.666 956 D CB -0.102 40.136 40.800 -0.937 0.000 1.037 956 D HN 0.363 nan 8.370 nan 0.000 0.423 957 P HA -0.145 nan 4.420 nan 0.000 0.219 957 P C 1.009 178.192 177.300 -0.195 0.000 1.146 957 P CA 0.957 63.930 63.100 -0.212 0.000 0.808 957 P CB 0.241 31.843 31.700 -0.165 0.000 0.779 958 E N -0.918 119.160 120.200 -0.203 0.000 2.481 958 E HA 0.099 4.447 4.350 -0.003 0.000 0.195 958 E C 1.520 178.003 176.600 -0.195 0.000 1.047 958 E CA 0.718 57.011 56.400 -0.178 0.000 0.867 958 E CB -0.883 28.722 29.700 -0.159 0.000 0.858 958 E HN 0.288 nan 8.360 nan 0.000 0.513 959 G N 1.977 110.641 108.800 -0.226 0.000 2.176 959 G HA2 -0.348 3.610 3.960 -0.003 0.000 0.252 959 G HA3 -0.348 3.610 3.960 -0.003 0.000 0.252 959 G C 1.092 175.858 174.900 -0.224 0.000 1.024 959 G CA 0.871 45.831 45.100 -0.233 0.000 0.755 959 G HN 0.390 nan 8.290 nan 0.000 0.507 960 S N -0.764 114.806 115.700 -0.217 0.000 2.465 960 S HA -0.066 4.402 4.470 -0.003 0.000 0.241 960 S C 1.918 176.417 174.600 -0.169 0.000 1.000 960 S CA 1.478 59.568 58.200 -0.183 0.000 0.964 960 S CB -0.143 62.949 63.200 -0.180 0.000 0.763 960 S HN 0.659 nan 8.310 nan 0.000 0.512 961 R N 0.216 120.607 120.500 -0.182 0.000 2.334 961 R HA 0.305 4.643 4.340 -0.003 0.000 0.216 961 R C 2.351 178.575 176.300 -0.126 0.000 0.905 961 R CA -0.054 55.968 56.100 -0.130 0.000 1.064 961 R CB -0.143 30.103 30.300 -0.091 0.000 1.046 961 R HN 0.425 nan 8.270 nan 0.000 0.508 962 R N 1.121 121.508 120.500 -0.188 0.000 2.117 962 R HA -0.119 4.219 4.340 -0.003 0.000 0.243 962 R C -0.095 176.084 176.300 -0.201 0.000 1.143 962 R CA 1.555 57.496 56.100 -0.266 0.000 0.968 962 R CB 0.136 30.164 30.300 -0.453 0.000 0.863 962 R HN 0.115 nan 8.270 nan 0.000 0.444 963 D N 0.000 120.312 120.400 -0.147 0.000 6.856 963 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 963 D CA 0.000 53.948 54.000 -0.087 0.000 0.868 963 D CB 0.000 40.760 40.800 -0.067 0.000 0.688 963 D HN 0.000 nan 8.370 nan 0.000 0.683