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 2gah_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKPQRLSAEQ SSRARINREE ALSLTVDGAK LSAFRGDTVA SALLANGVRR DATA SEQUENCE AGNSLYLDRP RGIFAAGVEE PNALVTVSAR HEQDIDESXL PATTVPVTED DATA SEQUENCE LNATLLSGLG VLDPTKDPAY YDHVHVHTDV LVVGAGPAGL AAAREASRSG DATA SEQUENCE ARVXLLDERA EAGGTLLDTA GEQIDGXDSS AWIEQVTSEL AEAEETTHLQ DATA SEQUENCE RTTVFGSYDA NYLIAAQRRT VHLDGPSGPG VSRERIWHIR AKQVVLATGA DATA SEQUENCE HERPIVFENN DRPGIXLAGA VRSYLNRYGV RAGARIAVAT TNDSAYELVR DATA SEQUENCE ELAATGGVVA VIDARSSISA AAAQAVADGV QVISGSVVVD TEADENGELS DATA SEQUENCE AIVVAELDEA RELGGTQRFE ADVLAVAGGF NPVVHLHSQR QGKLDWDTTI DATA SEQUENCE HAFVPADAVA NQHLAGAXTG RLDTASALST GAATGAAAAT AAGFATVART DATA SEQUENCE PQALETALGE TRPVWLVPSV SGDDAVNYKF HFVDLQRDQT VADVLRATGA DATA SEQUENCE GXKSVEHIKR YTSISTANDQ GKTSGVAAIG VIAAVLGIEN PAAIGTTTFR DATA SEQUENCE APYTPVAFAA LAGRNRGDQL DPARITAXHS WHLSHGAEFE DVGQWKRPWY DATA SEQUENCE YPQAGETXDQ AVYRESKAVR DSVGXLDATT LGKIEIRGKD AAEFLNRIYT DATA SEQUENCE NGYTKLKVGX GRYGVXCKAD GXIFDDGVTL RLAEDRFLLH TTTGGAADVL DATA SEQUENCE DWLEEWLQTE WPDLDVTCTS VTEQLATVAV VGPRSRDVIA KLASTVDVSN DATA SEQUENCE EGFKFXAFKD VVLDSGIEAR ISRISFSGEL AFEIAVPAWH GLRVWEDVYA DATA SEQUENCE AGEEFNITPY GTETXHVLRA EKGFIIVGQD TDGTVTPQDA GXEWVVSKLK DATA SEQUENCE DFIGNRSYSR ADNAREDRKQ LVSVLPVDKS LRLPEGAALV ASDALASEGI DATA SEQUENCE TPXEGWVTSS YDSPNLGRTF GLALIKNGRN RIGEVLKTPV GDQLVDVVVS DATA SEQUENCE ETVLYDPEGS RRDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.596 174.600 -0.007 0.000 1.055 2 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 2 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 3 K N 3.647 124.041 120.400 -0.010 0.000 2.511 3 K HA 0.033 4.351 4.320 -0.004 0.000 0.277 3 K C -2.558 174.032 176.600 -0.017 0.000 1.025 3 K CA -0.056 56.221 56.287 -0.016 0.000 1.112 3 K CB -0.029 32.462 32.500 -0.015 0.000 0.859 3 K HN 0.333 nan 8.250 nan 0.000 0.485 4 P HA 0.018 nan 4.420 nan 0.000 0.276 4 P C -1.168 176.118 177.300 -0.023 0.000 1.244 4 P CA -0.203 62.877 63.100 -0.033 0.000 0.801 4 P CB 0.925 32.583 31.700 -0.070 0.000 1.006 5 Q N -0.447 119.349 119.800 -0.006 0.000 2.575 5 Q HA 0.553 4.891 4.340 -0.004 0.000 0.290 5 Q C -1.119 174.903 176.000 0.036 0.000 0.963 5 Q CA -1.248 54.561 55.803 0.010 0.000 0.783 5 Q CB 1.272 30.019 28.738 0.015 0.000 1.467 5 Q HN 0.140 nan 8.270 nan 0.000 0.402 6 R N 1.094 121.627 120.500 0.054 0.000 2.490 6 R HA 0.461 4.798 4.340 -0.004 0.000 0.280 6 R C -0.800 175.549 176.300 0.081 0.000 1.077 6 R CA -0.107 56.048 56.100 0.093 0.000 1.065 6 R CB 0.461 30.842 30.300 0.136 0.000 1.003 6 R HN 0.687 nan 8.270 nan 0.000 0.470 7 L N 2.296 123.569 121.223 0.082 0.000 2.468 7 L HA 0.333 4.671 4.340 -0.004 0.000 0.254 7 L C 0.552 177.457 176.870 0.058 0.000 1.171 7 L CA -0.657 54.219 54.840 0.060 0.000 0.809 7 L CB 1.034 43.126 42.059 0.054 0.000 1.155 7 L HN 0.858 nan 8.230 nan 0.000 0.473 8 S N 0.006 115.730 115.700 0.040 0.000 2.600 8 S HA 0.248 4.715 4.470 -0.004 0.000 0.265 8 S C 0.998 175.607 174.600 0.015 0.000 1.325 8 S CA -0.197 58.022 58.200 0.031 0.000 1.002 8 S CB 1.312 64.525 63.200 0.022 0.000 0.921 8 S HN 0.687 nan 8.310 nan 0.000 0.554 9 A N 1.277 124.095 122.820 -0.003 0.000 1.908 9 A HA -0.164 4.154 4.320 -0.004 0.000 0.218 9 A C 2.155 179.728 177.584 -0.018 0.000 1.181 9 A CA 1.686 53.705 52.037 -0.029 0.000 0.627 9 A CB -1.246 17.724 19.000 -0.050 0.000 0.818 9 A HN 1.022 nan 8.150 nan 0.000 0.445 10 E N -1.144 119.051 120.200 -0.008 0.000 2.204 10 E HA -0.201 4.147 4.350 -0.004 0.000 0.195 10 E C 1.170 177.770 176.600 -0.000 0.000 0.990 10 E CA 1.087 57.485 56.400 -0.005 0.000 0.821 10 E CB -0.201 29.498 29.700 -0.001 0.000 0.750 10 E HN 0.517 nan 8.360 nan 0.000 0.477 11 Q N 0.605 120.408 119.800 0.006 0.000 2.220 11 Q HA 0.111 4.449 4.340 -0.004 0.000 0.205 11 Q C 0.376 176.384 176.000 0.013 0.000 0.865 11 Q CA 0.438 56.247 55.803 0.011 0.000 0.960 11 Q CB 1.315 30.064 28.738 0.018 0.000 1.097 11 Q HN 0.352 nan 8.270 nan 0.000 0.493 12 S N -2.006 113.698 115.700 0.006 0.000 2.825 12 S HA 0.085 4.553 4.470 -0.004 0.000 0.242 12 S C 1.024 175.617 174.600 -0.012 0.000 0.980 12 S CA 0.055 58.258 58.200 0.006 0.000 1.107 12 S CB 0.031 63.244 63.200 0.021 0.000 1.172 12 S HN 0.126 nan 8.310 nan 0.000 0.483 13 S N 2.047 117.739 115.700 -0.014 0.000 2.442 13 S HA -0.075 4.393 4.470 -0.004 0.000 0.236 13 S C 1.566 176.151 174.600 -0.024 0.000 1.007 13 S CA 0.369 58.556 58.200 -0.022 0.000 0.965 13 S CB -0.458 62.732 63.200 -0.017 0.000 0.773 13 S HN 0.647 nan 8.310 nan 0.000 0.504 14 R N 1.197 121.684 120.500 -0.022 0.000 2.300 14 R HA 0.423 4.761 4.340 -0.004 0.000 0.199 14 R C 0.795 177.071 176.300 -0.040 0.000 0.920 14 R CA 0.342 56.425 56.100 -0.028 0.000 1.046 14 R CB -0.113 30.172 30.300 -0.025 0.000 0.984 14 R HN 0.461 nan 8.270 nan 0.000 0.493 15 A N 1.816 124.615 122.820 -0.036 0.000 2.531 15 A HA 0.009 4.327 4.320 -0.004 0.000 0.236 15 A C 0.543 178.096 177.584 -0.051 0.000 1.062 15 A CA 0.036 52.047 52.037 -0.043 0.000 0.760 15 A CB 0.298 19.298 19.000 0.001 0.000 0.995 15 A HN 0.158 nan 8.150 nan 0.000 0.501 16 R N 1.555 122.005 120.500 -0.083 0.000 2.788 16 R HA 0.151 4.489 4.340 -0.004 0.000 0.264 16 R C 0.196 176.503 176.300 0.012 0.000 1.267 16 R CA 0.172 56.238 56.100 -0.057 0.000 1.213 16 R CB -1.408 28.828 30.300 -0.106 0.000 1.256 16 R HN 0.783 nan 8.270 nan 0.000 0.556 17 I N -2.666 117.925 120.570 0.036 0.000 2.750 17 I HA 0.447 4.615 4.170 -0.004 0.000 0.308 17 I C -0.106 176.014 176.117 0.004 0.000 1.016 17 I CA -1.105 60.249 61.300 0.090 0.000 1.098 17 I CB 1.767 39.871 38.000 0.175 0.000 1.279 17 I HN -0.267 nan 8.210 nan 0.000 0.454 18 N N 3.153 121.870 118.700 0.030 0.000 2.609 18 N HA 0.301 5.039 4.740 -0.004 0.000 0.234 18 N C 0.353 175.781 175.510 -0.136 0.000 1.001 18 N CA -0.419 52.614 53.050 -0.028 0.000 0.926 18 N CB 0.706 39.216 38.487 0.038 0.000 1.130 18 N HN 0.620 nan 8.380 nan 0.000 0.510 19 R N 0.894 121.163 120.500 -0.384 0.000 2.341 19 R HA -0.022 4.316 4.340 -0.004 0.000 0.213 19 R C 0.243 176.395 176.300 -0.247 0.000 1.082 19 R CA 0.825 56.477 56.100 -0.747 0.000 1.017 19 R CB 0.359 30.268 30.300 -0.652 0.000 0.860 19 R HN 0.497 nan 8.270 nan 0.000 0.473 20 E N 0.225 120.376 120.200 -0.081 0.000 2.474 20 E HA -0.042 4.306 4.350 -0.004 0.000 0.194 20 E C -0.107 176.540 176.600 0.078 0.000 1.041 20 E CA 0.357 56.761 56.400 0.008 0.000 0.874 20 E CB 0.421 30.119 29.700 -0.004 0.000 0.914 20 E HN 0.332 nan 8.360 nan 0.000 0.498 21 E N 0.971 121.253 120.200 0.137 0.000 2.795 21 E HA 0.436 4.784 4.350 -0.004 0.000 0.226 21 E C -1.067 175.697 176.600 0.274 0.000 1.088 21 E CA -0.396 56.102 56.400 0.164 0.000 0.812 21 E CB 0.581 30.352 29.700 0.119 0.000 1.328 21 E HN 0.001 nan 8.360 nan 0.000 0.410 22 A N 4.237 127.221 122.820 0.273 0.000 2.425 22 A HA 0.528 4.846 4.320 -0.004 0.000 0.249 22 A C -0.525 177.080 177.584 0.035 0.000 1.084 22 A CA -0.095 52.044 52.037 0.169 0.000 0.781 22 A CB 0.341 19.403 19.000 0.104 0.000 1.019 22 A HN 0.668 nan 8.150 nan 0.000 0.490 23 L N 1.075 122.260 121.223 -0.063 0.000 2.371 23 L HA 0.622 4.960 4.340 -0.004 0.000 0.262 23 L C 0.169 176.985 176.870 -0.089 0.000 1.006 23 L CA -0.576 54.239 54.840 -0.042 0.000 0.818 23 L CB 2.303 44.357 42.059 -0.007 0.000 1.354 23 L HN 0.656 nan 8.230 nan 0.000 0.415 24 S N 1.877 117.544 115.700 -0.056 0.000 2.503 24 S HA 0.902 5.370 4.470 -0.004 0.000 0.301 24 S C -0.846 173.726 174.600 -0.047 0.000 1.087 24 S CA -0.552 57.610 58.200 -0.063 0.000 1.042 24 S CB 1.188 64.360 63.200 -0.047 0.000 1.043 24 S HN 0.526 nan 8.310 nan 0.000 0.489 25 L N 1.275 122.466 121.223 -0.053 0.000 2.491 25 L HA 0.897 5.234 4.340 -0.004 0.000 0.254 25 L C -1.175 175.670 176.870 -0.042 0.000 1.048 25 L CA -0.839 53.977 54.840 -0.041 0.000 0.855 25 L CB 1.977 44.011 42.059 -0.041 0.000 1.466 25 L HN 0.478 nan 8.230 nan 0.000 0.409 26 T N 0.651 115.184 114.554 -0.036 0.000 2.881 26 T HA 0.692 5.040 4.350 -0.004 0.000 0.290 26 T C -1.009 173.670 174.700 -0.035 0.000 1.000 26 T CA -0.491 61.588 62.100 -0.035 0.000 0.978 26 T CB 1.967 70.818 68.868 -0.029 0.000 0.997 26 T HN 0.501 nan 8.240 nan 0.000 0.443 27 V N 2.930 122.822 119.914 -0.038 0.000 2.525 27 V HA 0.353 4.470 4.120 -0.004 0.000 0.299 27 V C -0.401 175.672 176.094 -0.035 0.000 1.034 27 V CA -0.919 61.359 62.300 -0.038 0.000 0.863 27 V CB 1.529 33.326 31.823 -0.043 0.000 0.999 27 V HN 1.025 nan 8.190 nan 0.000 0.423 28 D N 4.009 124.390 120.400 -0.033 0.000 2.708 28 D HA -0.190 4.448 4.640 -0.004 0.000 0.236 28 D C 1.297 177.580 176.300 -0.028 0.000 1.146 28 D CA 1.777 55.759 54.000 -0.031 0.000 0.662 28 D CB -1.043 39.738 40.800 -0.032 0.000 1.059 28 D HN 1.529 nan 8.370 nan 0.000 0.428 29 G N -1.481 107.303 108.800 -0.027 0.000 2.143 29 G HA2 -0.054 3.904 3.960 -0.004 0.000 0.248 29 G HA3 -0.054 3.904 3.960 -0.004 0.000 0.248 29 G C 0.303 175.188 174.900 -0.026 0.000 0.991 29 G CA 0.607 45.692 45.100 -0.025 0.000 0.689 29 G HN 1.252 nan 8.290 nan 0.000 0.522 30 A N -0.298 122.504 122.820 -0.030 0.000 2.287 30 A HA 0.777 5.095 4.320 -0.004 0.000 0.317 30 A C 0.156 177.718 177.584 -0.036 0.000 1.220 30 A CA -0.558 51.459 52.037 -0.032 0.000 0.835 30 A CB 0.835 19.814 19.000 -0.035 0.000 1.180 30 A HN 0.237 nan 8.150 nan 0.000 0.500 31 K N 1.951 122.330 120.400 -0.034 0.000 2.402 31 K HA 0.410 4.728 4.320 -0.004 0.000 0.285 31 K C -0.607 175.964 176.600 -0.048 0.000 1.054 31 K CA 0.698 56.962 56.287 -0.038 0.000 1.001 31 K CB -0.008 32.471 32.500 -0.034 0.000 0.946 31 K HN 0.636 nan 8.250 nan 0.000 0.473 32 L N 1.799 122.987 121.223 -0.058 0.000 2.330 32 L HA 0.492 4.830 4.340 -0.004 0.000 0.271 32 L C 0.002 176.812 176.870 -0.099 0.000 1.013 32 L CA -1.004 53.792 54.840 -0.074 0.000 0.816 32 L CB 2.021 44.036 42.059 -0.074 0.000 1.287 32 L HN 0.621 nan 8.230 nan 0.000 0.435 33 S N 0.813 116.435 115.700 -0.130 0.000 2.451 33 S HA 0.895 5.363 4.470 -0.004 0.000 0.301 33 S C -0.522 173.898 174.600 -0.300 0.000 1.116 33 S CA -0.504 57.572 58.200 -0.207 0.000 1.093 33 S CB 2.064 65.143 63.200 -0.203 0.000 1.017 33 S HN 0.805 nan 8.310 nan 0.000 0.482 34 A N 2.079 124.660 122.820 -0.398 0.000 2.524 34 A HA 0.939 5.257 4.320 -0.004 0.000 0.289 34 A C -1.708 175.486 177.584 -0.651 0.000 1.248 34 A CA -0.849 50.933 52.037 -0.425 0.000 0.712 34 A CB 0.832 19.735 19.000 -0.163 0.000 1.312 34 A HN 0.714 nan 8.150 nan 0.000 0.441 35 F N -0.674 119.302 119.950 0.044 0.000 2.599 35 F HA 0.694 5.219 4.527 -0.004 0.000 0.311 35 F C 0.303 176.142 175.800 0.064 0.000 1.076 35 F CA -0.696 57.335 58.000 0.052 0.000 0.937 35 F CB 1.694 40.730 39.000 0.060 0.000 1.282 35 F HN 0.621 nan 8.300 nan 0.000 0.460 36 R N 0.782 121.442 120.500 0.265 0.000 2.538 36 R HA 0.428 4.766 4.340 -0.004 0.000 0.282 36 R C 0.873 177.286 176.300 0.188 0.000 1.009 36 R CA 1.348 57.554 56.100 0.178 0.000 1.063 36 R CB -0.248 30.136 30.300 0.141 0.000 0.945 36 R HN 0.932 nan 8.270 nan 0.000 0.414 37 G N 2.746 111.651 108.800 0.175 0.000 2.352 37 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.204 37 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.204 37 G C -0.295 174.774 174.900 0.281 0.000 1.004 37 G CA 0.000 45.218 45.100 0.196 0.000 0.648 37 G HN 0.634 nan 8.290 nan 0.000 0.491 38 D N 1.808 122.351 120.400 0.239 0.000 2.357 38 D HA 0.510 5.148 4.640 -0.004 0.000 0.242 38 D C 1.103 177.435 176.300 0.053 0.000 1.153 38 D CA 1.260 55.350 54.000 0.151 0.000 0.918 38 D CB 1.278 42.125 40.800 0.079 0.000 1.181 38 D HN 0.510 nan 8.370 nan 0.000 0.435 39 T N -2.956 111.533 114.554 -0.108 0.000 2.949 39 T HA 0.312 4.659 4.350 -0.004 0.000 0.287 39 T C 1.350 176.000 174.700 -0.084 0.000 1.034 39 T CA -0.838 61.223 62.100 -0.065 0.000 1.018 39 T CB 0.908 69.726 68.868 -0.084 0.000 1.135 39 T HN 0.007 nan 8.240 nan 0.000 0.532 40 V N 1.119 121.005 119.914 -0.047 0.000 2.490 40 V HA -0.095 4.023 4.120 -0.004 0.000 0.250 40 V C 3.020 179.065 176.094 -0.080 0.000 1.061 40 V CA 2.302 64.570 62.300 -0.053 0.000 1.064 40 V CB -1.566 30.237 31.823 -0.033 0.000 0.670 40 V HN 1.056 nan 8.190 nan 0.000 0.461 41 A N 0.829 123.604 122.820 -0.076 0.000 1.873 41 A HA -0.204 4.114 4.320 -0.004 0.000 0.215 41 A C 2.572 180.040 177.584 -0.193 0.000 1.186 41 A CA 2.267 54.251 52.037 -0.089 0.000 0.616 41 A CB -0.837 18.180 19.000 0.029 0.000 0.823 41 A HN 0.675 nan 8.150 nan 0.000 0.442 42 S N 0.157 115.722 115.700 -0.225 0.000 2.402 42 S HA 0.056 4.524 4.470 -0.004 0.000 0.229 42 S C 2.062 176.550 174.600 -0.186 0.000 1.021 42 S CA 1.321 59.346 58.200 -0.292 0.000 0.974 42 S CB -0.620 62.132 63.200 -0.746 0.000 0.800 42 S HN 0.880 nan 8.310 nan 0.000 0.484 43 A N 2.001 124.731 122.820 -0.149 0.000 1.898 43 A HA 0.187 4.505 4.320 -0.004 0.000 0.216 43 A C 2.313 179.832 177.584 -0.108 0.000 1.181 43 A CA 1.240 53.215 52.037 -0.103 0.000 0.620 43 A CB -0.834 18.113 19.000 -0.089 0.000 0.819 43 A HN 0.524 nan 8.150 nan 0.000 0.442 44 L N -0.573 120.576 121.223 -0.123 0.000 1.989 44 L HA -0.206 4.131 4.340 -0.004 0.000 0.211 44 L C 2.612 179.405 176.870 -0.129 0.000 1.071 44 L CA 1.341 56.112 54.840 -0.115 0.000 0.749 44 L CB -0.529 41.461 42.059 -0.115 0.000 0.890 44 L HN 0.391 nan 8.230 nan 0.000 0.431 45 L N -0.648 120.462 121.223 -0.189 0.000 2.046 45 L HA -0.192 4.146 4.340 -0.004 0.000 0.208 45 L C 2.830 179.632 176.870 -0.112 0.000 1.077 45 L CA 1.114 55.838 54.840 -0.194 0.000 0.747 45 L CB -0.786 41.059 42.059 -0.357 0.000 0.896 45 L HN 0.252 nan 8.230 nan 0.000 0.432 46 A N -0.216 122.553 122.820 -0.085 0.000 2.019 46 A HA -0.176 4.142 4.320 -0.004 0.000 0.219 46 A C 1.789 179.354 177.584 -0.031 0.000 1.164 46 A CA 1.528 53.550 52.037 -0.024 0.000 0.644 46 A CB -0.483 18.522 19.000 0.008 0.000 0.805 46 A HN 0.501 nan 8.150 nan 0.000 0.449 47 N N -0.896 117.771 118.700 -0.055 0.000 2.276 47 N HA 0.187 4.925 4.740 -0.004 0.000 0.212 47 N C 0.893 176.375 175.510 -0.046 0.000 1.127 47 N CA 0.717 53.736 53.050 -0.051 0.000 0.834 47 N CB 0.470 38.919 38.487 -0.063 0.000 1.014 47 N HN 0.596 nan 8.380 nan 0.000 0.491 48 G N 0.600 109.372 108.800 -0.047 0.000 2.143 48 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.249 48 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.249 48 G C -0.020 174.850 174.900 -0.049 0.000 0.981 48 G CA -0.073 45.001 45.100 -0.043 0.000 0.665 48 G HN 0.179 nan 8.290 nan 0.000 0.528 49 V N 0.714 120.590 119.914 -0.064 0.000 2.348 49 V HA 0.491 4.609 4.120 -0.004 0.000 0.270 49 V C 1.369 177.417 176.094 -0.076 0.000 1.037 49 V CA 0.382 62.644 62.300 -0.063 0.000 0.872 49 V CB 1.263 33.047 31.823 -0.065 0.000 1.002 49 V HN 0.446 nan 8.190 nan 0.000 0.464 50 R N 4.169 124.632 120.500 -0.061 0.000 2.146 50 R HA 0.230 4.568 4.340 -0.004 0.000 0.206 50 R C 0.942 177.211 176.300 -0.052 0.000 1.049 50 R CA 0.005 56.068 56.100 -0.062 0.000 1.029 50 R CB 0.337 30.611 30.300 -0.044 0.000 0.949 50 R HN 0.580 nan 8.270 nan 0.000 0.471 51 R N 0.858 121.331 120.500 -0.045 0.000 2.438 51 R HA 0.285 4.623 4.340 -0.004 0.000 0.287 51 R C -0.422 175.850 176.300 -0.046 0.000 1.077 51 R CA 0.053 56.128 56.100 -0.042 0.000 1.034 51 R CB 1.532 31.809 30.300 -0.038 0.000 0.993 51 R HN 0.221 nan 8.270 nan 0.000 0.459 52 A N 1.985 124.778 122.820 -0.045 0.000 2.624 52 A HA 0.673 4.991 4.320 -0.004 0.000 0.267 52 A C 0.186 177.740 177.584 -0.051 0.000 1.282 52 A CA -0.399 51.610 52.037 -0.046 0.000 0.934 52 A CB 0.289 19.265 19.000 -0.041 0.000 1.510 52 A HN 0.710 nan 8.150 nan 0.000 0.477 53 G N -0.047 108.720 108.800 -0.054 0.000 2.544 53 G HA2 0.377 4.335 3.960 -0.004 0.000 0.242 53 G HA3 0.377 4.335 3.960 -0.004 0.000 0.242 53 G C -0.134 174.725 174.900 -0.068 0.000 1.247 53 G CA -0.285 44.780 45.100 -0.059 0.000 0.840 53 G HN 0.653 nan 8.290 nan 0.000 0.578 54 N N -0.455 118.206 118.700 -0.065 0.000 2.371 54 N HA 0.205 4.943 4.740 -0.004 0.000 0.243 54 N C 1.055 176.510 175.510 -0.091 0.000 1.287 54 N CA 0.083 53.091 53.050 -0.070 0.000 0.911 54 N CB 0.672 39.128 38.487 -0.051 0.000 1.142 54 N HN 0.670 nan 8.380 nan 0.000 0.451 55 S N 0.162 115.801 115.700 -0.101 0.000 2.569 55 S HA -0.030 4.438 4.470 -0.004 0.000 0.274 55 S C 1.318 175.837 174.600 -0.134 0.000 1.353 55 S CA -0.567 57.558 58.200 -0.124 0.000 1.023 55 S CB 0.333 63.460 63.200 -0.121 0.000 0.876 55 S HN 0.510 nan 8.310 nan 0.000 0.540 56 L N 1.415 122.510 121.223 -0.213 0.000 2.017 56 L HA 0.033 4.371 4.340 -0.004 0.000 0.208 56 L C 1.578 178.177 176.870 -0.453 0.000 1.073 56 L CA 1.909 56.507 54.840 -0.402 0.000 0.745 56 L CB -0.872 40.809 42.059 -0.630 0.000 0.894 56 L HN 0.855 nan 8.230 nan 0.000 0.432 57 Y N -1.964 118.341 120.300 0.009 0.000 2.609 57 Y HA 0.242 4.789 4.550 -0.004 0.000 0.281 57 Y C 2.034 177.956 175.900 0.037 0.000 1.132 57 Y CA 0.222 58.335 58.100 0.021 0.000 1.264 57 Y CB -0.205 38.272 38.460 0.028 0.000 1.325 57 Y HN -0.075 nan 8.280 nan 0.000 0.514 58 L N 0.013 121.363 121.223 0.211 0.000 2.554 58 L HA 0.031 4.369 4.340 -0.004 0.000 0.226 58 L C 0.234 177.170 176.870 0.111 0.000 1.137 58 L CA 0.859 55.805 54.840 0.178 0.000 0.863 58 L CB -0.302 41.908 42.059 0.252 0.000 0.985 58 L HN 0.193 nan 8.230 nan 0.000 0.451 59 D N 0.997 121.430 120.400 0.055 0.000 2.772 59 D HA -0.178 4.459 4.640 -0.004 0.000 0.233 59 D C 0.217 176.524 176.300 0.011 0.000 1.143 59 D CA 0.434 54.443 54.000 0.016 0.000 0.700 59 D CB -0.140 40.675 40.800 0.025 0.000 1.076 59 D HN 0.107 nan 8.370 nan 0.000 0.430 60 R N 0.128 120.628 120.500 0.000 0.000 2.490 60 R HA 0.436 4.774 4.340 -0.004 0.000 0.278 60 R C -2.239 174.022 176.300 -0.066 0.000 1.069 60 R CA -1.485 54.603 56.100 -0.021 0.000 1.080 60 R CB 0.200 30.472 30.300 -0.048 0.000 1.030 60 R HN 0.163 nan 8.270 nan 0.000 0.491 61 P HA 0.154 nan 4.420 nan 0.000 0.271 61 P C -0.359 176.887 177.300 -0.090 0.000 1.216 61 P CA 0.163 63.226 63.100 -0.063 0.000 0.776 61 P CB 0.724 32.395 31.700 -0.048 0.000 0.881 62 R N 1.293 121.743 120.500 -0.083 0.000 2.799 62 R HA 0.828 5.165 4.340 -0.004 0.000 0.270 62 R C -0.150 176.119 176.300 -0.053 0.000 1.010 62 R CA -0.803 55.242 56.100 -0.092 0.000 0.916 62 R CB 2.164 32.388 30.300 -0.126 0.000 1.228 62 R HN 0.656 nan 8.270 nan 0.000 0.469 63 G N 0.139 108.924 108.800 -0.024 0.000 2.725 63 G HA2 0.516 4.474 3.960 -0.004 0.000 0.288 63 G HA3 0.516 4.474 3.960 -0.004 0.000 0.288 63 G C -0.595 174.331 174.900 0.042 0.000 1.399 63 G CA -0.883 44.216 45.100 -0.001 0.000 0.859 63 G HN 0.375 nan 8.290 nan 0.000 0.479 64 I N 0.541 121.125 120.570 0.024 0.000 2.752 64 I HA 0.002 4.170 4.170 -0.004 0.000 0.289 64 I C 0.666 176.880 176.117 0.163 0.000 1.197 64 I CA 0.371 61.709 61.300 0.062 0.000 1.432 64 I CB 0.513 38.499 38.000 -0.024 0.000 1.359 64 I HN 0.500 nan 8.210 nan 0.000 0.571 65 F N 5.827 125.793 119.950 0.026 0.000 2.637 65 F HA 0.454 4.978 4.527 -0.004 0.000 0.284 65 F C 0.983 176.831 175.800 0.080 0.000 1.105 65 F CA 0.414 58.437 58.000 0.037 0.000 1.356 65 F CB 0.358 39.362 39.000 0.006 0.000 1.096 65 F HN 0.485 nan 8.300 nan 0.000 0.616 66 A N -0.497 122.412 122.820 0.148 0.000 2.686 66 A HA 0.811 5.128 4.320 -0.004 0.000 0.263 66 A C 0.122 177.794 177.584 0.147 0.000 1.264 66 A CA 0.018 52.092 52.037 0.061 0.000 0.799 66 A CB 0.253 19.294 19.000 0.067 0.000 1.363 66 A HN 0.285 nan 8.150 nan 0.000 0.507 67 A N -1.889 120.951 122.820 0.033 0.000 2.600 67 A HA 0.607 4.925 4.320 -0.004 0.000 0.252 67 A C 0.795 178.396 177.584 0.028 0.000 1.200 67 A CA 1.112 53.129 52.037 -0.034 0.000 0.981 67 A CB -0.190 18.608 19.000 -0.337 0.000 1.207 67 A HN 1.778 nan 8.150 nan 0.000 0.577 68 G N -0.980 107.839 108.800 0.032 0.000 3.257 68 G HA2 0.444 4.401 3.960 -0.004 0.000 0.205 68 G HA3 0.444 4.401 3.960 -0.004 0.000 0.205 68 G C 0.913 175.825 174.900 0.020 0.000 1.234 68 G CA 0.469 45.594 45.100 0.042 0.000 0.918 68 G HN 0.699 nan 8.290 nan 0.000 0.602 69 V N -0.516 119.407 119.914 0.015 0.000 3.241 69 V HA 0.035 4.153 4.120 -0.004 0.000 0.269 69 V C 1.723 177.762 176.094 -0.091 0.000 1.151 69 V CA 2.230 64.515 62.300 -0.025 0.000 1.158 69 V CB -0.533 31.280 31.823 -0.017 0.000 0.764 69 V HN 0.681 nan 8.190 nan 0.000 0.508 70 E N 1.153 121.260 120.200 -0.154 0.000 2.476 70 E HA -0.009 4.339 4.350 -0.004 0.000 0.191 70 E C 0.631 177.227 176.600 -0.005 0.000 1.064 70 E CA -0.144 56.161 56.400 -0.159 0.000 0.866 70 E CB -0.137 29.347 29.700 -0.359 0.000 0.952 70 E HN 0.699 nan 8.360 nan 0.000 0.492 71 E N 3.232 123.444 120.200 0.021 0.000 2.415 71 E HA 0.003 4.350 4.350 -0.004 0.000 0.260 71 E C -1.663 174.964 176.600 0.045 0.000 1.016 71 E CA -1.447 55.000 56.400 0.078 0.000 0.924 71 E CB 1.169 30.908 29.700 0.065 0.000 0.961 71 E HN -0.005 nan 8.360 nan 0.000 0.459 72 P HA 0.121 nan 4.420 nan 0.000 0.242 72 P C -0.008 177.256 177.300 -0.060 0.000 1.176 72 P CA 0.240 63.322 63.100 -0.030 0.000 0.859 72 P CB 0.741 32.386 31.700 -0.093 0.000 1.010 73 N N 0.943 119.618 118.700 -0.041 0.000 2.428 73 N HA 0.073 4.811 4.740 -0.004 0.000 0.181 73 N C 1.007 176.493 175.510 -0.039 0.000 1.028 73 N CA 0.444 53.457 53.050 -0.061 0.000 0.877 73 N CB -0.573 37.874 38.487 -0.066 0.000 1.064 73 N HN 0.012 nan 8.380 nan 0.000 0.434 74 A N 2.378 125.193 122.820 -0.008 0.000 2.671 74 A HA 0.470 4.788 4.320 -0.004 0.000 0.306 74 A C -0.153 177.422 177.584 -0.016 0.000 1.473 74 A CA -0.136 51.892 52.037 -0.014 0.000 1.155 74 A CB -0.760 18.239 19.000 -0.001 0.000 1.123 74 A HN 0.162 nan 8.150 nan 0.000 0.545 75 L N 2.931 124.136 121.223 -0.030 0.000 2.334 75 L HA 0.804 5.142 4.340 -0.004 0.000 0.273 75 L C -0.133 176.717 176.870 -0.034 0.000 1.013 75 L CA -1.010 53.811 54.840 -0.031 0.000 0.816 75 L CB 1.926 43.960 42.059 -0.040 0.000 1.278 75 L HN 0.512 nan 8.230 nan 0.000 0.431 76 V N -1.561 118.335 119.914 -0.029 0.000 3.159 76 V HA 0.635 4.753 4.120 -0.004 0.000 0.308 76 V C -0.493 175.583 176.094 -0.030 0.000 1.190 76 V CA -0.527 61.754 62.300 -0.031 0.000 1.037 76 V CB 2.033 33.840 31.823 -0.027 0.000 1.060 76 V HN 0.687 nan 8.190 nan 0.000 0.437 77 T N 2.016 116.551 114.554 -0.032 0.000 2.756 77 T HA 0.596 4.944 4.350 -0.004 0.000 0.290 77 T C -0.366 174.317 174.700 -0.028 0.000 0.985 77 T CA -0.224 61.857 62.100 -0.032 0.000 0.955 77 T CB 1.173 70.021 68.868 -0.035 0.000 0.930 77 T HN 0.713 nan 8.240 nan 0.000 0.451 78 V N 4.108 124.007 119.914 -0.025 0.000 2.406 78 V HA 0.271 4.389 4.120 -0.004 0.000 0.272 78 V C 0.654 176.729 176.094 -0.033 0.000 1.043 78 V CA -0.559 61.726 62.300 -0.025 0.000 0.915 78 V CB 1.342 33.155 31.823 -0.017 0.000 0.988 78 V HN 0.942 nan 8.190 nan 0.000 0.466 79 S N 3.665 119.344 115.700 -0.035 0.000 2.576 79 S HA 0.473 4.941 4.470 -0.004 0.000 0.276 79 S C 0.685 175.249 174.600 -0.061 0.000 1.339 79 S CA -0.238 57.937 58.200 -0.041 0.000 1.039 79 S CB 1.047 64.226 63.200 -0.035 0.000 0.902 79 S HN 1.102 nan 8.310 nan 0.000 0.516 80 A N 2.467 125.244 122.820 -0.072 0.000 2.598 80 A HA -0.004 4.314 4.320 -0.004 0.000 0.239 80 A C 1.208 178.700 177.584 -0.153 0.000 1.032 80 A CA 0.324 52.286 52.037 -0.125 0.000 0.760 80 A CB -0.022 18.918 19.000 -0.101 0.000 0.946 80 A HN 0.918 nan 8.150 nan 0.000 0.512 81 R N 0.552 120.887 120.500 -0.274 0.000 2.275 81 R HA 0.105 4.442 4.340 -0.004 0.000 0.199 81 R C -0.125 176.093 176.300 -0.136 0.000 0.989 81 R CA 1.217 57.197 56.100 -0.201 0.000 1.016 81 R CB -0.044 30.159 30.300 -0.160 0.000 0.918 81 R HN 1.055 nan 8.270 nan 0.000 0.473 82 H N -4.842 114.225 119.070 -0.005 0.000 2.876 82 H HA 0.197 4.751 4.556 -0.004 0.000 0.284 82 H C -0.125 175.200 175.328 -0.006 0.000 1.445 82 H CA -0.880 55.163 56.048 -0.008 0.000 1.141 82 H CB 0.278 30.032 29.762 -0.013 0.000 1.816 82 H HN -0.275 nan 8.280 nan 0.000 0.511 83 E N -0.364 119.963 120.200 0.211 0.000 2.160 83 E HA -0.181 4.167 4.350 -0.004 0.000 0.195 83 E C 0.282 176.973 176.600 0.152 0.000 0.991 83 E CA 1.415 57.891 56.400 0.127 0.000 0.810 83 E CB 0.030 29.777 29.700 0.079 0.000 0.742 83 E HN 0.472 nan 8.360 nan 0.000 0.466 84 Q N 0.707 120.701 119.800 0.324 0.000 2.412 84 Q HA 0.088 4.426 4.340 -0.004 0.000 0.298 84 Q C -0.922 175.187 176.000 0.182 0.000 0.938 84 Q CA -0.140 55.799 55.803 0.227 0.000 0.968 84 Q CB 0.416 29.253 28.738 0.165 0.000 1.187 84 Q HN 0.034 nan 8.270 nan 0.000 0.421 85 D N -0.132 120.280 120.400 0.019 0.000 2.615 85 D HA 0.526 5.163 4.640 -0.004 0.000 0.267 85 D C -1.332 174.929 176.300 -0.066 0.000 1.236 85 D CA -0.664 53.271 54.000 -0.109 0.000 0.839 85 D CB 1.578 42.108 40.800 -0.451 0.000 1.380 85 D HN 0.130 nan 8.370 nan 0.000 0.433 86 I N -2.138 118.403 120.570 -0.048 0.000 3.279 86 I HA 0.614 4.781 4.170 -0.004 0.000 0.315 86 I C -1.003 175.093 176.117 -0.035 0.000 1.187 86 I CA -1.065 60.218 61.300 -0.028 0.000 0.953 86 I CB 1.810 39.811 38.000 0.001 0.000 1.279 86 I HN 0.023 nan 8.210 nan 0.000 0.465 87 D N 2.201 122.583 120.400 -0.030 0.000 2.424 87 D HA 0.242 4.880 4.640 -0.004 0.000 0.244 87 D C -0.641 175.643 176.300 -0.027 0.000 1.134 87 D CA 0.531 54.512 54.000 -0.032 0.000 0.881 87 D CB 0.919 41.700 40.800 -0.031 0.000 1.191 87 D HN 0.598 nan 8.370 nan 0.000 0.445 88 E N 1.008 121.193 120.200 -0.025 0.000 2.224 88 E HA 0.412 4.760 4.350 -0.004 0.000 0.265 88 E C -1.117 175.465 176.600 -0.029 0.000 0.878 88 E CA -0.588 55.799 56.400 -0.023 0.000 0.759 88 E CB 1.275 30.973 29.700 -0.004 0.000 1.164 88 E HN 0.251 nan 8.360 nan 0.000 0.414 92 P HA 0.100 nan 4.420 nan 0.000 0.271 92 P C 0.395 177.702 177.300 0.011 0.000 1.233 92 P CA 0.019 63.121 63.100 0.004 0.000 0.764 92 P CB 1.285 32.989 31.700 0.008 0.000 0.825 93 A N 3.779 126.603 122.820 0.007 0.000 2.024 93 A HA -0.192 4.126 4.320 -0.004 0.000 0.220 93 A C 1.892 179.486 177.584 0.016 0.000 1.164 93 A CA 2.359 54.398 52.037 0.002 0.000 0.643 93 A CB -1.665 17.328 19.000 -0.011 0.000 0.806 93 A HN 0.569 nan 8.150 nan 0.000 0.451 94 T N -2.947 111.632 114.554 0.041 0.000 3.051 94 T HA -0.061 4.287 4.350 -0.004 0.000 0.269 94 T C 1.317 176.055 174.700 0.063 0.000 1.127 94 T CA 1.796 63.937 62.100 0.069 0.000 1.107 94 T CB -0.644 68.281 68.868 0.095 0.000 0.898 94 T HN 0.667 nan 8.240 nan 0.000 0.517 95 T N -1.525 113.059 114.554 0.050 0.000 3.043 95 T HA 0.417 4.765 4.350 -0.004 0.000 0.272 95 T C 0.201 174.933 174.700 0.054 0.000 0.990 95 T CA -0.474 61.661 62.100 0.058 0.000 0.897 95 T CB -0.057 68.843 68.868 0.054 0.000 1.111 95 T HN 0.167 nan 8.240 nan 0.000 0.529 96 V N 5.450 125.388 119.914 0.040 0.000 2.408 96 V HA 0.379 4.496 4.120 -0.004 0.000 0.267 96 V C -2.128 173.994 176.094 0.047 0.000 1.047 96 V CA -2.060 60.264 62.300 0.040 0.000 0.937 96 V CB 0.970 32.805 31.823 0.020 0.000 0.999 96 V HN 0.336 nan 8.190 nan 0.000 0.472 97 P HA 0.179 nan 4.420 nan 0.000 0.281 97 P C -0.399 176.944 177.300 0.072 0.000 1.252 97 P CA -0.080 63.073 63.100 0.089 0.000 0.778 97 P CB 1.401 33.183 31.700 0.136 0.000 0.895 98 V N 4.538 124.488 119.914 0.061 0.000 2.555 98 V HA 0.206 4.324 4.120 -0.004 0.000 0.286 98 V C 1.165 177.293 176.094 0.057 0.000 1.044 98 V CA 0.596 62.920 62.300 0.040 0.000 1.026 98 V CB 0.522 32.358 31.823 0.021 0.000 0.981 98 V HN 0.781 nan 8.190 nan 0.000 0.480 99 T N 1.213 115.791 114.554 0.041 0.000 2.926 99 T HA 0.572 4.920 4.350 -0.004 0.000 0.289 99 T C -0.423 174.292 174.700 0.026 0.000 1.054 99 T CA -0.900 61.226 62.100 0.044 0.000 1.015 99 T CB 1.744 70.639 68.868 0.046 0.000 1.167 99 T HN 0.548 nan 8.240 nan 0.000 0.526 100 E N 0.954 121.171 120.200 0.027 0.000 2.465 100 E HA 0.111 4.459 4.350 -0.004 0.000 0.260 100 E C -0.077 176.528 176.600 0.009 0.000 0.980 100 E CA 0.579 56.989 56.400 0.016 0.000 0.927 100 E CB -0.417 29.294 29.700 0.019 0.000 0.934 100 E HN 0.635 nan 8.360 nan 0.000 0.459 101 D N 1.704 122.103 120.400 -0.003 0.000 2.911 101 D HA -0.243 4.395 4.640 -0.004 0.000 0.227 101 D C -0.212 176.082 176.300 -0.009 0.000 1.164 101 D CA 0.578 54.573 54.000 -0.008 0.000 0.782 101 D CB -1.322 39.477 40.800 -0.002 0.000 1.094 101 D HN 0.367 nan 8.370 nan 0.000 0.425 102 L N 0.937 122.154 121.223 -0.009 0.000 2.485 102 L HA 0.213 4.551 4.340 -0.004 0.000 0.275 102 L C 0.404 177.262 176.870 -0.020 0.000 1.207 102 L CA 0.386 55.219 54.840 -0.012 0.000 0.855 102 L CB 0.643 42.697 42.059 -0.007 0.000 1.114 102 L HN 0.123 nan 8.230 nan 0.000 0.485 103 N N 3.476 122.162 118.700 -0.023 0.000 2.258 103 N HA 0.751 5.489 4.740 -0.004 0.000 0.299 103 N C -1.759 173.735 175.510 -0.027 0.000 1.047 103 N CA -0.154 52.881 53.050 -0.025 0.000 0.814 103 N CB 1.960 40.432 38.487 -0.024 0.000 1.413 103 N HN 0.869 nan 8.380 nan 0.000 0.478 104 A N 1.406 124.209 122.820 -0.028 0.000 2.587 104 A HA 0.638 4.956 4.320 -0.004 0.000 0.293 104 A C -1.091 176.475 177.584 -0.031 0.000 1.087 104 A CA -0.616 51.404 52.037 -0.029 0.000 0.692 104 A CB 1.772 20.755 19.000 -0.028 0.000 1.291 104 A HN 0.497 nan 8.150 nan 0.000 0.407 105 T N 0.962 115.497 114.554 -0.032 0.000 2.848 105 T HA 0.579 4.927 4.350 -0.004 0.000 0.285 105 T C -0.836 173.843 174.700 -0.036 0.000 0.995 105 T CA -0.394 61.686 62.100 -0.033 0.000 0.970 105 T CB 0.231 69.080 68.868 -0.032 0.000 0.976 105 T HN 0.563 nan 8.240 nan 0.000 0.441 106 L N 5.178 126.379 121.223 -0.038 0.000 2.416 106 L HA 0.449 4.787 4.340 -0.004 0.000 0.272 106 L C 0.083 176.926 176.870 -0.045 0.000 1.161 106 L CA -0.434 54.381 54.840 -0.041 0.000 0.845 106 L CB 0.613 42.646 42.059 -0.043 0.000 1.119 106 L HN 0.521 nan 8.230 nan 0.000 0.464 107 L N 1.967 123.161 121.223 -0.049 0.000 2.365 107 L HA 0.407 4.745 4.340 -0.004 0.000 0.267 107 L C 0.438 177.267 176.870 -0.068 0.000 1.033 107 L CA -0.376 54.430 54.840 -0.057 0.000 0.802 107 L CB 1.655 43.681 42.059 -0.056 0.000 1.267 107 L HN 0.495 nan 8.230 nan 0.000 0.457 108 S N 0.301 115.953 115.700 -0.081 0.000 2.499 108 S HA 0.339 4.807 4.470 -0.004 0.000 0.238 108 S C 0.778 175.296 174.600 -0.136 0.000 1.205 108 S CA 0.210 58.348 58.200 -0.103 0.000 1.203 108 S CB 0.676 63.817 63.200 -0.098 0.000 0.954 108 S HN 1.041 nan 8.310 nan 0.000 0.484 109 G N 1.143 109.871 108.800 -0.120 0.000 2.184 109 G HA2 -0.239 3.718 3.960 -0.004 0.000 0.264 109 G HA3 -0.239 3.718 3.960 -0.004 0.000 0.264 109 G C -0.231 174.597 174.900 -0.121 0.000 0.975 109 G CA 0.177 45.197 45.100 -0.133 0.000 0.642 109 G HN 0.524 nan 8.290 nan 0.000 0.536 110 L N 1.681 122.841 121.223 -0.105 0.000 2.343 110 L HA 0.776 5.114 4.340 -0.004 0.000 0.278 110 L C 0.822 177.653 176.870 -0.066 0.000 0.996 110 L CA -0.038 54.752 54.840 -0.083 0.000 0.831 110 L CB 1.171 43.180 42.059 -0.084 0.000 1.232 110 L HN 0.362 nan 8.230 nan 0.000 0.413 111 G N 3.549 112.313 108.800 -0.060 0.000 2.562 111 G HA2 0.554 4.512 3.960 -0.004 0.000 0.275 111 G HA3 0.554 4.512 3.960 -0.004 0.000 0.275 111 G C -1.211 173.656 174.900 -0.055 0.000 1.196 111 G CA -0.404 44.662 45.100 -0.058 0.000 0.908 111 G HN 0.466 nan 8.290 nan 0.000 0.524 112 V N 0.501 120.383 119.914 -0.054 0.000 2.709 112 V HA 0.393 4.511 4.120 -0.004 0.000 0.308 112 V C -0.162 175.898 176.094 -0.057 0.000 1.062 112 V CA -0.579 61.691 62.300 -0.050 0.000 0.901 112 V CB 1.734 33.532 31.823 -0.042 0.000 1.003 112 V HN 0.578 nan 8.190 nan 0.000 0.425 113 L N 3.057 124.244 121.223 -0.060 0.000 2.307 113 L HA 0.498 4.835 4.340 -0.004 0.000 0.282 113 L C 0.131 176.973 176.870 -0.048 0.000 1.051 113 L CA -0.498 54.302 54.840 -0.067 0.000 0.804 113 L CB 1.333 43.341 42.059 -0.084 0.000 1.197 113 L HN 0.594 nan 8.230 nan 0.000 0.431 114 D N 4.893 125.267 120.400 -0.043 0.000 2.417 114 D HA 0.056 4.694 4.640 -0.004 0.000 0.250 114 D C -1.389 174.897 176.300 -0.023 0.000 1.166 114 D CA -1.221 52.761 54.000 -0.029 0.000 0.881 114 D CB 1.562 42.348 40.800 -0.023 0.000 1.164 114 D HN 0.330 nan 8.370 nan 0.000 0.467 115 P HA -0.022 nan 4.420 nan 0.000 0.237 115 P C 0.036 177.333 177.300 -0.005 0.000 1.178 115 P CA 0.173 63.266 63.100 -0.012 0.000 0.766 115 P CB 0.216 31.910 31.700 -0.010 0.000 0.876 116 T N 1.421 115.973 114.554 -0.004 0.000 2.817 116 T HA 0.145 4.493 4.350 -0.004 0.000 0.293 116 T C 0.218 174.924 174.700 0.011 0.000 0.964 116 T CA -0.380 61.722 62.100 0.004 0.000 1.085 116 T CB 1.283 70.153 68.868 0.003 0.000 0.921 116 T HN 0.027 nan 8.240 nan 0.000 0.502 117 K N 2.599 123.010 120.400 0.018 0.000 2.448 117 K HA -0.023 4.295 4.320 -0.004 0.000 0.278 117 K C -0.092 176.533 176.600 0.042 0.000 1.009 117 K CA -0.374 55.931 56.287 0.030 0.000 0.995 117 K CB 0.391 32.910 32.500 0.032 0.000 0.917 117 K HN 0.472 nan 8.250 nan 0.000 0.481 118 D N 5.396 125.833 120.400 0.061 0.000 2.338 118 D HA 0.056 4.694 4.640 -0.004 0.000 0.255 118 D C -1.481 174.877 176.300 0.097 0.000 1.237 118 D CA -1.963 52.092 54.000 0.092 0.000 0.883 118 D CB 1.246 42.136 40.800 0.149 0.000 1.087 118 D HN 0.398 nan 8.370 nan 0.000 0.485 119 P HA 0.158 nan 4.420 nan 0.000 0.255 119 P C 0.061 177.390 177.300 0.047 0.000 1.248 119 P CA -0.218 62.920 63.100 0.063 0.000 0.807 119 P CB 0.246 31.979 31.700 0.055 0.000 1.150 120 A N 0.620 123.447 122.820 0.012 0.000 2.520 120 A HA 0.055 4.373 4.320 -0.004 0.000 0.235 120 A C -0.605 176.818 177.584 -0.269 0.000 1.065 120 A CA 0.032 51.969 52.037 -0.166 0.000 0.764 120 A CB -0.497 18.296 19.000 -0.345 0.000 1.002 120 A HN 0.245 nan 8.150 nan 0.000 0.502 121 Y N 1.414 121.465 120.300 -0.416 0.000 2.326 121 Y HA 0.555 5.103 4.550 -0.003 0.000 0.337 121 Y C -1.235 174.417 175.900 -0.413 0.000 1.023 121 Y CA -0.073 57.862 58.100 -0.274 0.000 1.143 121 Y CB 0.790 39.169 38.460 -0.134 0.000 1.183 121 Y HN 0.560 nan 8.280 nan 0.000 0.485 122 Y N 4.445 124.567 120.300 -0.297 0.000 2.425 122 Y HA 0.423 4.971 4.550 -0.003 0.000 0.344 122 Y C -0.709 175.035 175.900 -0.260 0.000 0.969 122 Y CA -1.105 56.919 58.100 -0.127 0.000 1.052 122 Y CB 1.688 40.135 38.460 -0.023 0.000 1.215 122 Y HN 0.672 nan 8.280 nan 0.000 0.451 123 D N -0.993 119.485 120.400 0.131 0.000 2.652 123 D HA 0.433 5.071 4.640 -0.004 0.000 0.285 123 D C -1.324 175.161 176.300 0.307 0.000 1.173 123 D CA -0.744 53.298 54.000 0.071 0.000 0.981 123 D CB 1.249 42.086 40.800 0.062 0.000 1.440 123 D HN 0.664 nan 8.370 nan 0.000 0.485 124 H N -2.037 117.024 119.070 -0.016 0.000 2.834 124 H HA 0.706 5.260 4.556 -0.004 0.000 0.369 124 H C -0.783 174.431 175.328 -0.191 0.000 1.174 124 H CA -1.527 54.480 56.048 -0.068 0.000 1.165 124 H CB 2.520 32.286 29.762 0.005 0.000 1.820 124 H HN 0.402 nan 8.280 nan 0.000 0.558 125 V N -1.036 118.728 119.914 -0.249 0.000 2.971 125 V HA 0.436 4.554 4.120 -0.004 0.000 0.309 125 V C -1.308 174.567 176.094 -0.364 0.000 1.130 125 V CA -0.958 61.146 62.300 -0.327 0.000 0.964 125 V CB 1.999 33.393 31.823 -0.715 0.000 1.029 125 V HN 0.779 nan 8.190 nan 0.000 0.427 126 H N 2.662 121.708 119.070 -0.039 0.000 2.646 126 H HA 0.851 5.405 4.556 -0.004 0.000 0.328 126 H C -0.104 175.281 175.328 0.096 0.000 0.998 126 H CA -0.265 55.813 56.048 0.049 0.000 1.225 126 H CB 1.865 31.641 29.762 0.022 0.000 1.457 126 H HN 1.007 nan 8.280 nan 0.000 0.505 127 V N -0.029 120.012 119.914 0.212 0.000 3.160 127 V HA 0.642 4.759 4.120 -0.004 0.000 0.310 127 V C -0.808 175.392 176.094 0.177 0.000 1.181 127 V CA -0.913 61.536 62.300 0.247 0.000 1.047 127 V CB 2.410 34.394 31.823 0.269 0.000 1.068 127 V HN 0.717 nan 8.190 nan 0.000 0.441 128 H N -0.163 118.985 119.070 0.130 0.000 2.670 128 H HA 0.905 5.459 4.556 -0.004 0.000 0.361 128 H C -0.228 175.150 175.328 0.082 0.000 1.169 128 H CA 0.245 56.358 56.048 0.107 0.000 1.198 128 H CB 2.055 31.877 29.762 0.100 0.000 1.700 128 H HN 1.099 nan 8.280 nan 0.000 0.542 129 T N -0.201 114.455 114.554 0.170 0.000 2.853 129 T HA 0.147 4.494 4.350 -0.004 0.000 0.311 129 T C -0.044 174.700 174.700 0.073 0.000 1.307 129 T CA -0.619 61.534 62.100 0.088 0.000 1.019 129 T CB 1.151 70.040 68.868 0.034 0.000 1.264 129 T HN 0.591 nan 8.240 nan 0.000 0.497 130 D N 0.746 121.161 120.400 0.025 0.000 2.162 130 D HA 0.137 4.774 4.640 -0.004 0.000 0.205 130 D C 0.405 176.714 176.300 0.016 0.000 0.964 130 D CA 1.151 55.173 54.000 0.037 0.000 0.847 130 D CB 0.458 41.242 40.800 -0.027 0.000 0.988 130 D HN 0.262 nan 8.370 nan 0.000 0.480 131 V N 1.903 121.796 119.914 -0.034 0.000 2.524 131 V HA 0.229 4.347 4.120 -0.004 0.000 0.297 131 V C -0.831 175.227 176.094 -0.059 0.000 1.035 131 V CA -0.898 61.374 62.300 -0.046 0.000 0.867 131 V CB 2.471 34.244 31.823 -0.082 0.000 1.004 131 V HN -0.049 nan 8.190 nan 0.000 0.426 132 L N 6.973 128.167 121.223 -0.048 0.000 2.282 132 L HA 0.773 5.111 4.340 -0.004 0.000 0.288 132 L C -0.592 176.232 176.870 -0.077 0.000 1.033 132 L CA 0.075 54.873 54.840 -0.070 0.000 0.807 132 L CB 1.701 43.719 42.059 -0.068 0.000 1.209 132 L HN 0.428 nan 8.230 nan 0.000 0.423 133 V N 5.987 125.841 119.914 -0.099 0.000 2.384 133 V HA 0.469 4.587 4.120 -0.004 0.000 0.287 133 V C -0.395 175.634 176.094 -0.109 0.000 1.020 133 V CA -0.692 61.548 62.300 -0.100 0.000 0.850 133 V CB 1.744 33.499 31.823 -0.114 0.000 0.987 133 V HN 0.535 nan 8.190 nan 0.000 0.436 134 V N 3.925 123.778 119.914 -0.102 0.000 2.347 134 V HA 0.902 5.020 4.120 -0.004 0.000 0.280 134 V C 0.562 176.593 176.094 -0.105 0.000 1.021 134 V CA 0.183 62.416 62.300 -0.112 0.000 0.847 134 V CB 0.751 32.498 31.823 -0.126 0.000 0.990 134 V HN 1.295 nan 8.190 nan 0.000 0.444 135 G N 4.021 112.766 108.800 -0.092 0.000 3.225 135 G HA2 0.314 4.272 3.960 -0.004 0.000 0.686 135 G HA3 0.314 4.272 3.960 -0.004 0.000 0.686 135 G C -0.204 174.655 174.900 -0.068 0.000 1.105 135 G CA -0.270 44.786 45.100 -0.073 0.000 0.831 135 G HN 1.520 nan 8.290 nan 0.000 0.578 136 A N 1.697 124.489 122.820 -0.046 0.000 2.827 136 A HA 0.787 5.105 4.320 -0.004 0.000 0.300 136 A C 1.335 178.910 177.584 -0.016 0.000 1.237 136 A CA 1.096 53.100 52.037 -0.054 0.000 0.964 136 A CB -0.183 18.790 19.000 -0.045 0.000 1.143 136 A HN 2.102 nan 8.150 nan 0.000 0.554 137 G N 0.193 108.988 108.800 -0.009 0.000 2.510 137 G HA2 0.446 4.404 3.960 -0.004 0.000 0.280 137 G HA3 0.446 4.404 3.960 -0.004 0.000 0.280 137 G C -0.789 174.142 174.900 0.051 0.000 1.386 137 G CA -0.761 44.347 45.100 0.014 0.000 1.047 137 G HN 0.107 nan 8.290 nan 0.000 0.527 138 P HA -0.168 nan 4.420 nan 0.000 0.216 138 P C 1.841 179.187 177.300 0.076 0.000 1.150 138 P CA 2.208 65.368 63.100 0.101 0.000 0.843 138 P CB 0.026 31.706 31.700 -0.034 0.000 0.787 139 A N 0.456 123.280 122.820 0.007 0.000 1.873 139 A HA -0.030 4.287 4.320 -0.004 0.000 0.215 139 A C 2.683 180.263 177.584 -0.007 0.000 1.186 139 A CA 2.087 54.117 52.037 -0.011 0.000 0.616 139 A CB -1.903 17.072 19.000 -0.042 0.000 0.823 139 A HN 0.302 nan 8.150 nan 0.000 0.442 140 G N -0.376 108.410 108.800 -0.022 0.000 2.408 140 G HA2 -0.105 3.852 3.960 -0.004 0.000 0.217 140 G HA3 -0.105 3.852 3.960 -0.004 0.000 0.217 140 G C 1.566 176.430 174.900 -0.060 0.000 1.150 140 G CA 0.958 46.027 45.100 -0.052 0.000 0.776 140 G HN 0.410 nan 8.290 nan 0.000 0.542 141 L N 0.603 121.813 121.223 -0.021 0.000 2.046 141 L HA -0.036 4.301 4.340 -0.004 0.000 0.208 141 L C 3.398 180.265 176.870 -0.005 0.000 1.077 141 L CA 1.031 55.837 54.840 -0.058 0.000 0.747 141 L CB -0.352 41.701 42.059 -0.010 0.000 0.896 141 L HN 0.302 nan 8.230 nan 0.000 0.432 142 A N -0.098 122.810 122.820 0.146 0.000 1.898 142 A HA -0.144 4.174 4.320 -0.004 0.000 0.216 142 A C 2.514 180.116 177.584 0.031 0.000 1.181 142 A CA 1.668 53.802 52.037 0.161 0.000 0.620 142 A CB -0.668 18.432 19.000 0.166 0.000 0.819 142 A HN 0.398 nan 8.150 nan 0.000 0.442 143 A N -0.096 122.718 122.820 -0.011 0.000 1.873 143 A HA 0.180 4.498 4.320 -0.004 0.000 0.215 143 A C 2.516 180.052 177.584 -0.079 0.000 1.186 143 A CA 2.077 54.083 52.037 -0.052 0.000 0.616 143 A CB -1.061 17.900 19.000 -0.065 0.000 0.823 143 A HN 1.057 nan 8.150 nan 0.000 0.442 144 A N -0.495 122.264 122.820 -0.101 0.000 1.933 144 A HA -0.150 4.167 4.320 -0.004 0.000 0.218 144 A C 2.243 179.753 177.584 -0.124 0.000 1.175 144 A CA 1.692 53.650 52.037 -0.131 0.000 0.628 144 A CB -0.495 18.395 19.000 -0.183 0.000 0.814 144 A HN 0.559 nan 8.150 nan 0.000 0.444 145 R N -0.425 120.007 120.500 -0.112 0.000 2.070 145 R HA -0.154 4.184 4.340 -0.004 0.000 0.233 145 R C 1.946 178.204 176.300 -0.071 0.000 1.137 145 R CA 1.710 57.748 56.100 -0.104 0.000 0.945 145 R CB -0.221 30.023 30.300 -0.094 0.000 0.845 145 R HN 0.436 nan 8.270 nan 0.000 0.430 146 E N 0.274 120.445 120.200 -0.048 0.000 2.110 146 E HA -0.149 4.199 4.350 -0.004 0.000 0.193 146 E C 1.834 178.403 176.600 -0.053 0.000 0.988 146 E CA 1.285 57.663 56.400 -0.038 0.000 0.804 146 E CB -0.282 29.403 29.700 -0.026 0.000 0.745 146 E HN 0.471 nan 8.360 nan 0.000 0.458 147 A N 0.895 123.670 122.820 -0.075 0.000 1.898 147 A HA -0.152 4.166 4.320 -0.004 0.000 0.216 147 A C 2.420 179.941 177.584 -0.104 0.000 1.181 147 A CA 1.865 53.849 52.037 -0.090 0.000 0.620 147 A CB -0.635 18.300 19.000 -0.110 0.000 0.819 147 A HN 0.259 nan 8.150 nan 0.000 0.442 148 S N -0.630 115.007 115.700 -0.106 0.000 2.382 148 S HA -0.209 4.259 4.470 -0.004 0.000 0.228 148 S C 2.183 176.731 174.600 -0.086 0.000 1.027 148 S CA 1.508 59.642 58.200 -0.110 0.000 0.991 148 S CB -0.425 62.712 63.200 -0.106 0.000 0.823 148 S HN 0.605 nan 8.310 nan 0.000 0.469 149 R N 0.690 121.152 120.500 -0.063 0.000 2.152 149 R HA -0.070 4.268 4.340 -0.004 0.000 0.232 149 R C 2.266 178.555 176.300 -0.017 0.000 1.117 149 R CA 1.713 57.791 56.100 -0.037 0.000 0.981 149 R CB -0.467 29.818 30.300 -0.025 0.000 0.870 149 R HN 0.616 nan 8.270 nan 0.000 0.451 150 S N -1.467 114.223 115.700 -0.017 0.000 2.515 150 S HA 0.059 4.527 4.470 -0.004 0.000 0.231 150 S C 1.429 176.065 174.600 0.060 0.000 0.987 150 S CA 0.802 59.027 58.200 0.042 0.000 0.936 150 S CB 0.303 63.547 63.200 0.074 0.000 0.766 150 S HN 0.595 nan 8.310 nan 0.000 0.528 151 G N 0.712 109.475 108.800 -0.062 0.000 2.213 151 G HA2 -0.113 3.845 3.960 -0.004 0.000 0.236 151 G HA3 -0.113 3.845 3.960 -0.004 0.000 0.236 151 G C 0.346 174.986 174.900 -0.433 0.000 0.991 151 G CA -0.003 45.042 45.100 -0.092 0.000 0.629 151 G HN 1.305 nan 8.290 nan 0.000 0.517 152 A N 0.368 122.699 122.820 -0.816 0.000 2.448 152 A HA 0.615 4.933 4.320 -0.004 0.000 0.239 152 A C 0.830 178.038 177.584 -0.627 0.000 1.080 152 A CA 0.282 51.458 52.037 -1.435 0.000 0.779 152 A CB 0.189 18.580 19.000 -1.015 0.000 1.026 152 A HN 0.515 nan 8.150 nan 0.000 0.499 153 R N 0.371 120.579 120.500 -0.487 0.000 2.316 153 R HA 0.411 4.749 4.340 -0.004 0.000 0.314 153 R C -0.655 175.545 176.300 -0.168 0.000 1.069 153 R CA -0.049 55.920 56.100 -0.217 0.000 0.959 153 R CB 0.493 30.732 30.300 -0.102 0.000 0.987 153 R HN 0.495 nan 8.270 nan 0.000 0.446 157 L N 3.961 125.110 121.223 -0.123 0.000 2.322 157 L HA 0.800 5.138 4.340 -0.004 0.000 0.281 157 L C -0.584 176.246 176.870 -0.067 0.000 1.014 157 L CA -0.089 54.683 54.840 -0.112 0.000 0.815 157 L CB 1.805 43.757 42.059 -0.178 0.000 1.247 157 L HN 0.691 nan 8.230 nan 0.000 0.421 158 D N -0.303 120.083 120.400 -0.023 0.000 2.934 158 D HA 0.242 4.880 4.640 -0.004 0.000 0.230 158 D C 0.483 176.793 176.300 0.017 0.000 1.204 158 D CA -0.384 53.616 54.000 -0.000 0.000 0.873 158 D CB 1.595 42.412 40.800 0.028 0.000 1.645 158 D HN 0.669 nan 8.370 nan 0.000 0.502 159 E N 2.422 122.646 120.200 0.040 0.000 2.347 159 E HA -0.024 4.324 4.350 -0.004 0.000 0.196 159 E C 0.202 176.837 176.600 0.059 0.000 1.008 159 E CA 0.330 56.771 56.400 0.068 0.000 0.852 159 E CB 0.352 30.126 29.700 0.123 0.000 0.783 159 E HN 0.269 nan 8.360 nan 0.000 0.505 160 R N 0.060 120.588 120.500 0.047 0.000 2.583 160 R HA 0.386 4.724 4.340 -0.004 0.000 0.268 160 R C 1.308 177.613 176.300 0.009 0.000 1.101 160 R CA 0.206 56.330 56.100 0.039 0.000 1.180 160 R CB 0.475 30.798 30.300 0.038 0.000 1.128 160 R HN 0.106 nan 8.270 nan 0.000 0.568 161 A N 0.958 123.781 122.820 0.005 0.000 1.902 161 A HA -0.148 4.170 4.320 -0.004 0.000 0.217 161 A C 0.444 177.996 177.584 -0.054 0.000 1.181 161 A CA 1.506 53.520 52.037 -0.038 0.000 0.623 161 A CB -0.446 18.550 19.000 -0.007 0.000 0.818 161 A HN 0.778 nan 8.150 nan 0.000 0.443 162 E N -2.038 118.148 120.200 -0.024 0.000 2.393 162 E HA 0.676 5.023 4.350 -0.004 0.000 0.273 162 E C -0.483 176.127 176.600 0.015 0.000 0.918 162 E CA -0.700 55.686 56.400 -0.022 0.000 0.773 162 E CB 1.454 31.138 29.700 -0.026 0.000 1.275 162 E HN 0.235 nan 8.360 nan 0.000 0.451 163 A N 0.182 123.033 122.820 0.053 0.000 2.429 163 A HA 0.517 4.835 4.320 -0.004 0.000 0.242 163 A C 1.133 178.739 177.584 0.037 0.000 1.088 163 A CA 0.784 52.870 52.037 0.081 0.000 0.784 163 A CB -0.413 18.677 19.000 0.150 0.000 1.038 163 A HN 1.366 nan 8.150 nan 0.000 0.501 164 G N -0.937 107.883 108.800 0.033 0.000 2.336 164 G HA2 0.300 4.258 3.960 -0.004 0.000 0.194 164 G HA3 0.300 4.258 3.960 -0.004 0.000 0.194 164 G C 1.708 176.626 174.900 0.030 0.000 0.999 164 G CA 0.717 45.843 45.100 0.043 0.000 0.669 164 G HN 2.825 nan 8.290 nan 0.000 0.482 165 G N -0.215 108.596 108.800 0.018 0.000 2.596 165 G HA2 -0.062 3.896 3.960 -0.004 0.000 0.295 165 G HA3 -0.062 3.896 3.960 -0.004 0.000 0.295 165 G C 1.451 176.352 174.900 0.002 0.000 1.240 165 G CA 2.702 47.809 45.100 0.012 0.000 0.985 165 G HN 1.995 nan 8.290 nan 0.000 0.555 166 T N -0.286 114.267 114.554 -0.001 0.000 3.113 166 T HA 0.270 4.617 4.350 -0.004 0.000 0.263 166 T C 2.449 177.134 174.700 -0.024 0.000 1.143 166 T CA 1.441 63.534 62.100 -0.011 0.000 1.090 166 T CB -0.039 68.825 68.868 -0.006 0.000 0.922 166 T HN 0.536 nan 8.240 nan 0.000 0.521 167 L N 0.132 121.345 121.223 -0.016 0.000 2.191 167 L HA 0.069 4.407 4.340 -0.004 0.000 0.212 167 L C 2.312 179.168 176.870 -0.023 0.000 1.103 167 L CA 1.094 55.925 54.840 -0.016 0.000 0.769 167 L CB -0.411 41.656 42.059 0.013 0.000 0.908 167 L HN 0.349 nan 8.230 nan 0.000 0.438 168 L N -0.822 120.382 121.223 -0.033 0.000 2.610 168 L HA -0.083 4.254 4.340 -0.004 0.000 0.232 168 L C 0.981 177.796 176.870 -0.092 0.000 1.149 168 L CA 0.327 55.132 54.840 -0.060 0.000 0.872 168 L CB -0.311 41.704 42.059 -0.074 0.000 0.992 168 L HN 0.233 nan 8.230 nan 0.000 0.447 169 D N -0.562 119.792 120.400 -0.077 0.000 2.349 169 D HA 0.035 4.673 4.640 -0.004 0.000 0.214 169 D C 1.203 177.472 176.300 -0.052 0.000 1.063 169 D CA 0.321 54.270 54.000 -0.084 0.000 0.847 169 D CB 0.491 41.247 40.800 -0.073 0.000 0.933 169 D HN 0.305 nan 8.370 nan 0.000 0.513 170 T N -2.953 111.576 114.554 -0.042 0.000 2.922 170 T HA 0.590 4.938 4.350 -0.004 0.000 0.281 170 T C 0.961 175.645 174.700 -0.026 0.000 1.005 170 T CA -0.651 61.432 62.100 -0.028 0.000 0.982 170 T CB 2.021 70.872 68.868 -0.029 0.000 1.158 170 T HN -0.162 nan 8.240 nan 0.000 0.566 171 A N -0.357 122.452 122.820 -0.018 0.000 2.337 171 A HA 0.673 4.990 4.320 -0.004 0.000 0.227 171 A C 1.192 178.766 177.584 -0.016 0.000 1.259 171 A CA 0.192 52.220 52.037 -0.014 0.000 0.870 171 A CB -1.362 17.633 19.000 -0.007 0.000 0.927 171 A HN 2.098 nan 8.150 nan 0.000 0.497 172 G N -0.770 108.018 108.800 -0.020 0.000 2.784 172 G HA2 0.074 4.032 3.960 -0.004 0.000 0.686 172 G HA3 0.074 4.032 3.960 -0.004 0.000 0.686 172 G C -0.974 173.909 174.900 -0.029 0.000 1.156 172 G CA -0.511 44.577 45.100 -0.019 0.000 0.757 172 G HN 0.387 nan 8.290 nan 0.000 0.642 173 E N 0.394 120.571 120.200 -0.038 0.000 2.367 173 E HA 0.458 4.806 4.350 -0.004 0.000 0.273 173 E C -0.689 175.867 176.600 -0.073 0.000 0.903 173 E CA -1.024 55.340 56.400 -0.061 0.000 0.764 173 E CB 1.706 31.357 29.700 -0.082 0.000 1.252 173 E HN 0.395 nan 8.360 nan 0.000 0.446 174 Q N 1.694 121.442 119.800 -0.087 0.000 2.296 174 Q HA 0.437 4.775 4.340 -0.004 0.000 0.257 174 Q C -0.603 175.294 176.000 -0.171 0.000 0.942 174 Q CA 0.090 55.834 55.803 -0.097 0.000 0.939 174 Q CB 0.942 29.637 28.738 -0.073 0.000 1.198 174 Q HN 0.452 nan 8.270 nan 0.000 0.429 175 I N 2.340 122.774 120.570 -0.227 0.000 2.447 175 I HA 0.130 4.298 4.170 -0.004 0.000 0.287 175 I C -0.278 175.642 176.117 -0.327 0.000 1.023 175 I CA -0.573 60.463 61.300 -0.439 0.000 1.083 175 I CB 1.689 39.151 38.000 -0.897 0.000 1.245 175 I HN 0.477 nan 8.210 nan 0.000 0.434 176 D N 5.291 125.552 120.400 -0.233 0.000 2.708 176 D HA -0.149 4.489 4.640 -0.004 0.000 0.236 176 D C 0.652 176.941 176.300 -0.019 0.000 1.146 176 D CA 1.866 55.819 54.000 -0.078 0.000 0.662 176 D CB -0.620 40.199 40.800 0.031 0.000 1.059 176 D HN 1.124 nan 8.370 nan 0.000 0.428 180 S N 1.102 116.828 115.700 0.044 0.000 2.374 180 S HA -0.207 4.261 4.470 -0.004 0.000 0.227 180 S C 1.794 176.488 174.600 0.156 0.000 1.037 180 S CA 1.574 59.829 58.200 0.092 0.000 1.024 180 S CB -0.399 62.812 63.200 0.018 0.000 0.861 180 S HN 0.347 nan 8.310 nan 0.000 0.456 181 S N 2.234 117.985 115.700 0.084 0.000 2.382 181 S HA 0.104 4.572 4.470 -0.004 0.000 0.228 181 S C 2.308 176.951 174.600 0.072 0.000 1.027 181 S CA 1.002 59.241 58.200 0.065 0.000 0.991 181 S CB -0.748 62.467 63.200 0.024 0.000 0.823 181 S HN 0.783 nan 8.310 nan 0.000 0.469 182 A N -0.011 122.858 122.820 0.082 0.000 1.929 182 A HA -0.091 4.227 4.320 -0.004 0.000 0.216 182 A C 1.800 179.442 177.584 0.097 0.000 1.176 182 A CA 1.114 53.192 52.037 0.068 0.000 0.628 182 A CB -0.872 18.165 19.000 0.062 0.000 0.816 182 A HN 0.704 nan 8.150 nan 0.000 0.444 183 W N 0.764 122.049 121.300 -0.026 0.000 2.381 183 W HA -0.139 4.518 4.660 -0.004 0.000 0.301 183 W C 1.734 178.236 176.519 -0.029 0.000 1.205 183 W CA 1.852 59.180 57.345 -0.028 0.000 1.285 183 W CB -0.232 29.209 29.460 -0.032 0.000 1.133 183 W HN 0.293 nan 8.180 nan 0.000 0.521 184 I N 0.384 121.012 120.570 0.097 0.000 2.163 184 I HA -0.344 3.824 4.170 -0.004 0.000 0.243 184 I C 2.491 178.508 176.117 -0.167 0.000 1.085 184 I CA 2.113 63.368 61.300 -0.075 0.000 1.347 184 I CB -0.828 37.207 38.000 0.059 0.000 1.044 184 I HN 0.078 nan 8.210 nan 0.000 0.408 185 E N 0.726 120.875 120.200 -0.085 0.000 2.085 185 E HA -0.332 4.016 4.350 -0.004 0.000 0.194 185 E C 2.222 178.744 176.600 -0.130 0.000 0.994 185 E CA 1.616 57.969 56.400 -0.079 0.000 0.801 185 E CB -0.062 29.614 29.700 -0.040 0.000 0.743 185 E HN 0.493 nan 8.360 nan 0.000 0.453 186 Q N 0.072 119.762 119.800 -0.184 0.000 2.046 186 Q HA -0.144 4.194 4.340 -0.004 0.000 0.200 186 Q C 2.204 178.026 176.000 -0.298 0.000 0.975 186 Q CA 1.743 57.417 55.803 -0.215 0.000 0.836 186 Q CB 0.118 28.722 28.738 -0.223 0.000 0.896 186 Q HN 0.231 nan 8.270 nan 0.000 0.428 187 V N 1.186 120.804 119.914 -0.493 0.000 2.343 187 V HA -0.261 3.857 4.120 -0.004 0.000 0.247 187 V C 2.607 178.528 176.094 -0.288 0.000 1.051 187 V CA 2.150 64.152 62.300 -0.497 0.000 1.036 187 V CB -1.164 30.185 31.823 -0.789 0.000 0.654 187 V HN 0.701 nan 8.190 nan 0.000 0.451 188 T N -2.707 111.721 114.554 -0.210 0.000 2.867 188 T HA -0.163 4.185 4.350 -0.004 0.000 0.268 188 T C 1.951 176.626 174.700 -0.040 0.000 1.057 188 T CA 1.688 63.751 62.100 -0.061 0.000 1.136 188 T CB -0.408 68.483 68.868 0.037 0.000 0.874 188 T HN 0.399 nan 8.240 nan 0.000 0.466 189 S N 1.595 117.246 115.700 -0.080 0.000 2.383 189 S HA -0.059 4.409 4.470 -0.004 0.000 0.227 189 S C 2.081 176.642 174.600 -0.066 0.000 1.026 189 S CA 1.167 59.329 58.200 -0.062 0.000 0.981 189 S CB -0.289 62.871 63.200 -0.067 0.000 0.818 189 S HN 0.677 nan 8.310 nan 0.000 0.472 190 E N 1.211 121.353 120.200 -0.098 0.000 2.031 190 E HA -0.087 4.261 4.350 -0.004 0.000 0.193 190 E C 2.056 178.609 176.600 -0.079 0.000 0.994 190 E CA 0.982 57.327 56.400 -0.092 0.000 0.800 190 E CB -0.354 29.272 29.700 -0.123 0.000 0.752 190 E HN 0.396 nan 8.360 nan 0.000 0.447 191 L N 0.709 121.877 121.223 -0.091 0.000 2.081 191 L HA -0.233 4.105 4.340 -0.004 0.000 0.212 191 L C 2.617 179.469 176.870 -0.030 0.000 1.080 191 L CA 1.112 55.907 54.840 -0.075 0.000 0.754 191 L CB -0.623 41.377 42.059 -0.100 0.000 0.893 191 L HN 0.165 nan 8.230 nan 0.000 0.433 192 A N -0.636 122.177 122.820 -0.011 0.000 1.898 192 A HA -0.177 4.141 4.320 -0.004 0.000 0.216 192 A C 2.269 179.844 177.584 -0.016 0.000 1.181 192 A CA 1.312 53.347 52.037 -0.004 0.000 0.620 192 A CB -0.349 18.648 19.000 -0.005 0.000 0.819 192 A HN 0.279 nan 8.150 nan 0.000 0.442 193 E N 0.358 120.543 120.200 -0.026 0.000 2.150 193 E HA 0.019 4.367 4.350 -0.004 0.000 0.193 193 E C 1.062 177.647 176.600 -0.026 0.000 0.985 193 E CA 0.722 57.107 56.400 -0.025 0.000 0.814 193 E CB -0.533 29.149 29.700 -0.030 0.000 0.752 193 E HN 0.496 nan 8.360 nan 0.000 0.466 194 A N 1.486 124.285 122.820 -0.035 0.000 2.522 194 A HA 0.003 4.321 4.320 -0.004 0.000 0.256 194 A C 0.914 178.480 177.584 -0.030 0.000 1.086 194 A CA -0.001 52.013 52.037 -0.039 0.000 0.763 194 A CB 0.097 19.063 19.000 -0.056 0.000 1.024 194 A HN 0.002 nan 8.150 nan 0.000 0.502 195 E N 1.641 121.826 120.200 -0.025 0.000 2.085 195 E HA -0.164 4.184 4.350 -0.004 0.000 0.194 195 E C 0.834 177.423 176.600 -0.019 0.000 0.994 195 E CA 1.760 58.151 56.400 -0.015 0.000 0.801 195 E CB 0.107 29.802 29.700 -0.009 0.000 0.743 195 E HN 0.731 nan 8.360 nan 0.000 0.453 196 E N 0.250 120.426 120.200 -0.040 0.000 2.437 196 E HA 0.124 4.472 4.350 -0.004 0.000 0.195 196 E C -0.443 176.118 176.600 -0.064 0.000 1.029 196 E CA 0.131 56.499 56.400 -0.052 0.000 0.948 196 E CB 0.708 30.356 29.700 -0.088 0.000 1.082 196 E HN 0.028 nan 8.360 nan 0.000 0.456 197 T N 0.978 115.500 114.554 -0.053 0.000 2.797 197 T HA 0.380 4.728 4.350 -0.004 0.000 0.279 197 T C -0.112 174.570 174.700 -0.030 0.000 0.991 197 T CA -0.308 61.757 62.100 -0.059 0.000 0.979 197 T CB 1.822 70.646 68.868 -0.073 0.000 0.943 197 T HN -0.177 nan 8.240 nan 0.000 0.444 198 T N 3.047 117.580 114.554 -0.035 0.000 2.807 198 T HA 0.363 4.711 4.350 -0.004 0.000 0.279 198 T C -0.791 173.903 174.700 -0.010 0.000 0.993 198 T CA -0.571 61.516 62.100 -0.021 0.000 0.970 198 T CB 0.635 69.480 68.868 -0.039 0.000 0.950 198 T HN 0.688 nan 8.240 nan 0.000 0.441 199 H N 3.683 122.682 119.070 -0.118 0.000 2.646 199 H HA 0.575 5.129 4.556 -0.004 0.000 0.328 199 H C -1.292 173.951 175.328 -0.142 0.000 0.998 199 H CA -1.017 54.953 56.048 -0.131 0.000 1.225 199 H CB 0.551 30.250 29.762 -0.105 0.000 1.457 199 H HN 0.395 nan 8.280 nan 0.000 0.505 200 L N 5.153 126.393 121.223 0.028 0.000 2.343 200 L HA 0.318 4.656 4.340 -0.004 0.000 0.278 200 L C -0.256 176.560 176.870 -0.090 0.000 0.996 200 L CA -0.863 53.889 54.840 -0.147 0.000 0.831 200 L CB 1.707 43.581 42.059 -0.309 0.000 1.232 200 L HN 0.559 nan 8.230 nan 0.000 0.413 201 Q N 2.080 121.786 119.800 -0.156 0.000 2.185 201 Q HA 0.415 4.753 4.340 -0.004 0.000 0.225 201 Q C 0.266 176.229 176.000 -0.061 0.000 0.983 201 Q CA -0.579 55.170 55.803 -0.090 0.000 0.950 201 Q CB 1.123 29.778 28.738 -0.140 0.000 1.176 201 Q HN 0.413 nan 8.270 nan 0.000 0.510 202 R N -1.100 119.381 120.500 -0.032 0.000 3.741 202 R HA -0.134 4.204 4.340 -0.004 0.000 0.292 202 R C -0.602 175.717 176.300 0.031 0.000 1.176 202 R CA 0.865 56.964 56.100 -0.001 0.000 0.794 202 R CB -2.252 28.034 30.300 -0.024 0.000 1.213 202 R HN 0.425 nan 8.270 nan 0.000 0.494 203 T N 0.430 114.990 114.554 0.009 0.000 2.809 203 T HA 0.331 4.679 4.350 -0.004 0.000 0.284 203 T C -0.040 174.678 174.700 0.029 0.000 0.992 203 T CA -0.441 61.663 62.100 0.007 0.000 0.957 203 T CB 2.064 70.867 68.868 -0.108 0.000 0.942 203 T HN -0.026 nan 8.240 nan 0.000 0.439 204 T N 2.852 117.464 114.554 0.097 0.000 2.758 204 T HA 0.349 4.697 4.350 -0.004 0.000 0.285 204 T C 0.317 175.098 174.700 0.136 0.000 0.981 204 T CA -0.527 61.660 62.100 0.145 0.000 0.965 204 T CB 0.890 69.900 68.868 0.235 0.000 0.927 204 T HN 0.344 nan 8.240 nan 0.000 0.448 205 V N 6.170 126.099 119.914 0.025 0.000 2.370 205 V HA 0.113 4.231 4.120 -0.004 0.000 0.257 205 V C 0.878 176.971 176.094 -0.002 0.000 1.064 205 V CA -0.104 62.142 62.300 -0.090 0.000 0.975 205 V CB -1.029 30.704 31.823 -0.149 0.000 1.067 205 V HN 0.941 nan 8.190 nan 0.000 0.485 206 F N 2.558 122.535 119.950 0.044 0.000 2.619 206 F HA 0.603 5.128 4.527 -0.004 0.000 0.293 206 F C 0.989 176.832 175.800 0.072 0.000 1.119 206 F CA -0.067 57.998 58.000 0.108 0.000 1.445 206 F CB -0.072 38.996 39.000 0.114 0.000 1.119 206 F HN 0.379 nan 8.300 nan 0.000 0.573 207 G N 0.029 108.609 108.800 -0.367 0.000 2.591 207 G HA2 0.466 4.423 3.960 -0.004 0.000 0.306 207 G HA3 0.466 4.423 3.960 -0.004 0.000 0.306 207 G C -1.673 172.936 174.900 -0.485 0.000 1.334 207 G CA -0.721 44.210 45.100 -0.282 0.000 0.981 207 G HN 0.156 nan 8.290 nan 0.000 0.491 208 S N 0.781 116.040 115.700 -0.735 0.000 2.659 208 S HA 0.759 5.226 4.470 -0.004 0.000 0.312 208 S C -1.176 172.996 174.600 -0.714 0.000 1.114 208 S CA -0.590 57.305 58.200 -0.508 0.000 1.063 208 S CB 0.253 63.284 63.200 -0.280 0.000 0.996 208 S HN 0.435 nan 8.310 nan 0.000 0.478 209 Y N 1.293 121.619 120.300 0.044 0.000 2.686 209 Y HA 0.428 4.975 4.550 -0.005 0.000 0.330 209 Y C 0.307 176.255 175.900 0.079 0.000 1.082 209 Y CA -1.343 56.808 58.100 0.084 0.000 1.158 209 Y CB 0.328 38.885 38.460 0.162 0.000 1.333 209 Y HN 0.501 nan 8.280 nan 0.000 0.519 210 D N 0.617 121.159 120.400 0.236 0.000 2.667 210 D HA 0.244 4.881 4.640 -0.004 0.000 0.226 210 D C 0.262 176.635 176.300 0.122 0.000 1.137 210 D CA 1.884 55.959 54.000 0.124 0.000 0.855 210 D CB 0.107 40.956 40.800 0.081 0.000 1.194 210 D HN 0.863 nan 8.370 nan 0.000 0.492 211 A N 3.382 126.248 122.820 0.077 0.000 2.640 211 A HA -0.381 3.937 4.320 -0.004 0.000 0.300 211 A C 0.594 178.242 177.584 0.107 0.000 1.499 211 A CA 1.083 53.165 52.037 0.076 0.000 0.759 211 A CB -2.159 16.879 19.000 0.064 0.000 1.048 211 A HN 0.899 nan 8.150 nan 0.000 0.450 212 N N -2.655 116.103 118.700 0.096 0.000 2.725 212 N HA -0.258 4.480 4.740 -0.004 0.000 0.251 212 N C -0.436 175.156 175.510 0.136 0.000 1.031 212 N CA 1.155 54.257 53.050 0.087 0.000 0.720 212 N CB -0.973 37.553 38.487 0.064 0.000 0.930 212 N HN 0.910 nan 8.380 nan 0.000 0.543 213 Y N 1.203 121.533 120.300 0.051 0.000 2.417 213 Y HA 0.531 5.078 4.550 -0.004 0.000 0.336 213 Y C -0.761 175.200 175.900 0.103 0.000 0.961 213 Y CA -0.646 57.495 58.100 0.068 0.000 1.215 213 Y CB 0.548 39.065 38.460 0.095 0.000 1.120 213 Y HN 0.060 nan 8.280 nan 0.000 0.499 214 L N 6.891 127.965 121.223 -0.250 0.000 2.342 214 L HA 0.593 4.931 4.340 -0.004 0.000 0.271 214 L C -0.766 175.842 176.870 -0.437 0.000 1.008 214 L CA -0.552 54.141 54.840 -0.245 0.000 0.818 214 L CB 2.004 43.942 42.059 -0.202 0.000 1.296 214 L HN 0.478 nan 8.230 nan 0.000 0.427 215 I N 1.655 121.941 120.570 -0.474 0.000 2.433 215 I HA 0.818 4.986 4.170 -0.004 0.000 0.292 215 I C -0.243 175.345 176.117 -0.881 0.000 1.001 215 I CA -0.619 60.249 61.300 -0.719 0.000 1.119 215 I CB 1.907 39.435 38.000 -0.787 0.000 1.289 215 I HN 0.689 nan 8.210 nan 0.000 0.438 216 A N 4.374 126.914 122.820 -0.466 0.000 2.423 216 A HA 0.945 5.263 4.320 -0.004 0.000 0.304 216 A C -0.953 176.754 177.584 0.205 0.000 1.104 216 A CA -0.718 51.227 52.037 -0.154 0.000 0.757 216 A CB 1.813 20.747 19.000 -0.111 0.000 1.313 216 A HN 0.795 nan 8.150 nan 0.000 0.423 217 A N 0.978 124.010 122.820 0.354 0.000 2.285 217 A HA 0.613 4.930 4.320 -0.004 0.000 0.310 217 A C -0.398 177.336 177.584 0.251 0.000 1.266 217 A CA -0.399 51.842 52.037 0.340 0.000 0.832 217 A CB 0.445 19.625 19.000 0.300 0.000 1.163 217 A HN 0.835 nan 8.150 nan 0.000 0.499 218 Q N 2.491 122.474 119.800 0.305 0.000 2.331 218 Q HA 0.426 4.764 4.340 -0.004 0.000 0.257 218 Q C -0.824 175.323 176.000 0.244 0.000 0.957 218 Q CA -0.760 55.192 55.803 0.249 0.000 0.923 218 Q CB 0.633 29.580 28.738 0.349 0.000 1.212 218 Q HN 0.591 nan 8.270 nan 0.000 0.443 219 R N 3.232 123.845 120.500 0.188 0.000 2.248 219 R HA 0.171 4.509 4.340 -0.004 0.000 0.337 219 R C 0.649 177.075 176.300 0.211 0.000 1.106 219 R CA 0.149 56.366 56.100 0.196 0.000 0.959 219 R CB 0.320 30.718 30.300 0.163 0.000 1.075 219 R HN 0.682 nan 8.270 nan 0.000 0.480 220 R N 0.266 120.902 120.500 0.227 0.000 2.090 220 R HA -0.009 4.329 4.340 -0.004 0.000 0.219 220 R C 0.849 177.289 176.300 0.234 0.000 1.100 220 R CA 1.577 57.815 56.100 0.229 0.000 0.991 220 R CB 0.339 30.759 30.300 0.200 0.000 0.893 220 R HN 0.580 nan 8.270 nan 0.000 0.443 221 T N -2.701 111.947 114.554 0.156 0.000 3.200 221 T HA 0.193 4.541 4.350 -0.004 0.000 0.284 221 T C 1.432 176.154 174.700 0.035 0.000 1.009 221 T CA -0.281 61.836 62.100 0.027 0.000 0.907 221 T CB 0.469 69.343 68.868 0.009 0.000 1.120 221 T HN -0.141 nan 8.240 nan 0.000 0.534 222 V N 2.700 122.709 119.914 0.158 0.000 2.490 222 V HA -0.154 3.964 4.120 -0.004 0.000 0.250 222 V C 2.668 178.845 176.094 0.137 0.000 1.061 222 V CA 1.950 64.339 62.300 0.147 0.000 1.064 222 V CB -0.938 30.986 31.823 0.169 0.000 0.670 222 V HN 0.826 nan 8.190 nan 0.000 0.461 223 H N -0.716 118.398 119.070 0.074 0.000 2.547 223 H HA 0.243 4.797 4.556 -0.004 0.000 0.266 223 H C 0.597 175.965 175.328 0.066 0.000 0.988 223 H CA -0.202 55.886 56.048 0.066 0.000 1.147 223 H CB -0.478 29.321 29.762 0.061 0.000 1.365 223 H HN 0.341 nan 8.280 nan 0.000 0.589 224 L N 1.339 122.382 121.223 -0.300 0.000 2.375 224 L HA 0.097 4.434 4.340 -0.004 0.000 0.271 224 L C 0.988 177.846 176.870 -0.019 0.000 1.107 224 L CA -0.607 54.107 54.840 -0.209 0.000 0.806 224 L CB 1.159 43.081 42.059 -0.228 0.000 1.146 224 L HN -0.011 nan 8.230 nan 0.000 0.447 225 D N 1.659 122.058 120.400 -0.001 0.000 2.103 225 D HA -0.009 4.629 4.640 -0.004 0.000 0.199 225 D C 0.842 177.202 176.300 0.100 0.000 0.978 225 D CA 0.969 54.998 54.000 0.048 0.000 0.829 225 D CB 0.213 41.029 40.800 0.027 0.000 0.981 225 D HN 0.685 nan 8.370 nan 0.000 0.464 226 G N 0.410 109.212 108.800 0.003 0.000 2.667 226 G HA2 0.494 4.452 3.960 -0.004 0.000 0.310 226 G HA3 0.494 4.452 3.960 -0.004 0.000 0.310 226 G C -2.606 172.031 174.900 -0.438 0.000 1.259 226 G CA -1.026 44.006 45.100 -0.114 0.000 1.019 226 G HN -0.106 nan 8.290 nan 0.000 0.496 227 P HA 0.265 nan 4.420 nan 0.000 0.274 227 P C -0.318 176.786 177.300 -0.326 0.000 1.237 227 P CA -0.112 62.524 63.100 -0.774 0.000 0.793 227 P CB 1.477 32.824 31.700 -0.589 0.000 0.977 228 S N -0.361 115.203 115.700 -0.225 0.000 2.758 228 S HA 0.620 5.087 4.470 -0.004 0.000 0.292 228 S C 0.684 175.206 174.600 -0.130 0.000 1.131 228 S CA -0.475 57.639 58.200 -0.142 0.000 0.997 228 S CB 0.853 63.993 63.200 -0.100 0.000 1.111 228 S HN 0.682 nan 8.310 nan 0.000 0.552 229 G N 0.924 109.656 108.800 -0.113 0.000 2.667 229 G HA2 0.402 4.360 3.960 -0.004 0.000 0.250 229 G HA3 0.402 4.360 3.960 -0.004 0.000 0.250 229 G C -2.864 171.940 174.900 -0.159 0.000 1.212 229 G CA -0.953 44.077 45.100 -0.117 0.000 0.874 229 G HN 0.368 nan 8.290 nan 0.000 0.561 230 P HA 0.266 nan 4.420 nan 0.000 0.271 230 P C 0.856 177.938 177.300 -0.362 0.000 1.216 230 P CA 1.239 64.203 63.100 -0.228 0.000 0.776 230 P CB 1.098 32.707 31.700 -0.151 0.000 0.881 231 G N 1.267 109.632 108.800 -0.726 0.000 2.179 231 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.260 231 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.260 231 G C -0.001 174.443 174.900 -0.759 0.000 0.977 231 G CA -0.137 44.319 45.100 -1.072 0.000 0.641 231 G HN 0.515 nan 8.290 nan 0.000 0.533 232 V N 2.749 122.381 119.914 -0.471 0.000 2.334 232 V HA 0.530 4.647 4.120 -0.004 0.000 0.267 232 V C 1.074 177.164 176.094 -0.007 0.000 1.040 232 V CA -0.130 62.076 62.300 -0.156 0.000 0.866 232 V CB 0.998 32.760 31.823 -0.102 0.000 1.019 232 V HN 0.836 nan 8.190 nan 0.000 0.468 233 S N 5.000 120.819 115.700 0.198 0.000 2.560 233 S HA 0.154 4.622 4.470 -0.004 0.000 0.284 233 S C 1.093 175.770 174.600 0.128 0.000 1.327 233 S CA -0.286 58.080 58.200 0.278 0.000 1.055 233 S CB 1.065 64.444 63.200 0.298 0.000 0.868 233 S HN 0.768 nan 8.310 nan 0.000 0.506 234 R N 1.513 122.027 120.500 0.024 0.000 2.093 234 R HA 0.083 4.421 4.340 -0.004 0.000 0.224 234 R C 0.031 176.439 176.300 0.179 0.000 1.101 234 R CA 0.960 57.085 56.100 0.041 0.000 0.979 234 R CB 0.139 30.378 30.300 -0.101 0.000 0.877 234 R HN 0.853 nan 8.270 nan 0.000 0.441 235 E N -0.028 120.344 120.200 0.286 0.000 2.314 235 E HA 0.250 4.598 4.350 -0.004 0.000 0.272 235 E C -1.473 175.341 176.600 0.356 0.000 0.884 235 E CA -0.854 55.761 56.400 0.358 0.000 0.753 235 E CB 2.581 32.535 29.700 0.425 0.000 1.213 235 E HN 0.051 nan 8.360 nan 0.000 0.432 236 R N 3.399 124.083 120.500 0.307 0.000 2.480 236 R HA 0.385 4.723 4.340 -0.004 0.000 0.306 236 R C -1.050 175.389 176.300 0.231 0.000 0.958 236 R CA -0.598 55.648 56.100 0.242 0.000 0.861 236 R CB 0.791 31.204 30.300 0.188 0.000 1.171 236 R HN 0.377 nan 8.270 nan 0.000 0.445 237 I N 4.662 125.282 120.570 0.083 0.000 2.304 237 I HA 0.206 4.374 4.170 -0.004 0.000 0.291 237 I C -0.597 175.443 176.117 -0.129 0.000 1.018 237 I CA -0.727 60.539 61.300 -0.057 0.000 1.260 237 I CB 0.507 38.207 38.000 -0.501 0.000 1.390 237 I HN 0.602 nan 8.210 nan 0.000 0.475 238 W N 5.471 126.667 121.300 -0.174 0.000 2.361 238 W HA 0.346 5.003 4.660 -0.004 0.000 0.309 238 W C 0.073 176.365 176.519 -0.379 0.000 1.122 238 W CA -0.237 57.007 57.345 -0.168 0.000 1.208 238 W CB 0.341 29.730 29.460 -0.118 0.000 1.246 238 W HN 0.377 nan 8.180 nan 0.000 0.490 239 H N 3.788 122.732 119.070 -0.209 0.000 2.581 239 H HA 0.463 5.017 4.556 -0.004 0.000 0.308 239 H C -0.337 174.827 175.328 -0.274 0.000 1.040 239 H CA -0.508 55.326 56.048 -0.356 0.000 1.231 239 H CB 0.495 30.069 29.762 -0.313 0.000 1.396 239 H HN 0.205 nan 8.280 nan 0.000 0.467 240 I N 2.767 123.152 120.570 -0.307 0.000 2.389 240 I HA 0.319 4.487 4.170 -0.004 0.000 0.288 240 I C 0.031 176.008 176.117 -0.234 0.000 0.999 240 I CA -0.900 60.290 61.300 -0.183 0.000 1.129 240 I CB 1.387 39.324 38.000 -0.105 0.000 1.288 240 I HN 0.280 nan 8.210 nan 0.000 0.444 241 R N 5.743 126.138 120.500 -0.176 0.000 2.215 241 R HA 0.688 5.026 4.340 -0.004 0.000 0.337 241 R C -0.940 175.335 176.300 -0.043 0.000 1.010 241 R CA -0.221 55.825 56.100 -0.091 0.000 0.871 241 R CB 0.863 31.021 30.300 -0.237 0.000 1.134 241 R HN 0.741 nan 8.270 nan 0.000 0.477 242 A N 3.959 126.787 122.820 0.012 0.000 2.324 242 A HA 0.379 4.697 4.320 -0.004 0.000 0.330 242 A C 0.168 177.796 177.584 0.073 0.000 1.165 242 A CA -0.727 51.334 52.037 0.040 0.000 0.813 242 A CB 1.074 20.079 19.000 0.009 0.000 1.197 242 A HN 0.864 nan 8.150 nan 0.000 0.484 243 K N 0.269 120.724 120.400 0.093 0.000 2.062 243 K HA -0.021 4.297 4.320 -0.004 0.000 0.205 243 K C 0.025 176.684 176.600 0.098 0.000 1.051 243 K CA 1.028 57.377 56.287 0.104 0.000 0.941 243 K CB 0.018 32.590 32.500 0.121 0.000 0.719 243 K HN 0.663 nan 8.250 nan 0.000 0.440 244 Q N 0.446 120.301 119.800 0.092 0.000 2.347 244 Q HA 0.378 4.716 4.340 -0.004 0.000 0.271 244 Q C -1.215 174.839 176.000 0.090 0.000 1.064 244 Q CA -0.563 55.315 55.803 0.125 0.000 0.800 244 Q CB 2.699 31.518 28.738 0.135 0.000 1.304 244 Q HN -0.136 nan 8.270 nan 0.000 0.438 245 V N 1.756 121.750 119.914 0.133 0.000 2.487 245 V HA 0.480 4.597 4.120 -0.004 0.000 0.298 245 V C -0.354 175.817 176.094 0.128 0.000 1.028 245 V CA -0.786 61.560 62.300 0.076 0.000 0.860 245 V CB 2.098 33.938 31.823 0.029 0.000 0.991 245 V HN 0.505 nan 8.190 nan 0.000 0.427 246 V N 6.396 126.333 119.914 0.038 0.000 2.357 246 V HA 0.444 4.561 4.120 -0.004 0.000 0.284 246 V C -0.137 175.946 176.094 -0.018 0.000 1.018 246 V CA -0.423 61.894 62.300 0.028 0.000 0.841 246 V CB 1.452 33.249 31.823 -0.043 0.000 0.991 246 V HN 0.628 nan 8.190 nan 0.000 0.437 247 L N 4.358 125.572 121.223 -0.015 0.000 2.292 247 L HA 0.766 5.104 4.340 -0.004 0.000 0.284 247 L C 0.487 177.316 176.870 -0.069 0.000 1.065 247 L CA -0.272 54.533 54.840 -0.058 0.000 0.806 247 L CB 1.507 43.528 42.059 -0.062 0.000 1.175 247 L HN 0.734 nan 8.230 nan 0.000 0.431 248 A N 0.793 123.561 122.820 -0.087 0.000 3.415 248 A HA 0.260 4.578 4.320 -0.004 0.000 0.244 248 A C 0.695 178.220 177.584 -0.099 0.000 0.988 248 A CA -0.296 51.691 52.037 -0.083 0.000 0.991 248 A CB -0.100 18.859 19.000 -0.068 0.000 1.240 248 A HN 0.742 nan 8.150 nan 0.000 0.541 249 T N -2.312 112.166 114.554 -0.127 0.000 3.160 249 T HA 0.434 4.782 4.350 -0.004 0.000 0.257 249 T C 1.326 175.939 174.700 -0.144 0.000 1.147 249 T CA 0.964 62.968 62.100 -0.160 0.000 1.064 249 T CB -0.307 68.418 68.868 -0.238 0.000 0.949 249 T HN 2.148 nan 8.240 nan 0.000 0.526 250 G N 1.116 109.849 108.800 -0.112 0.000 2.593 250 G HA2 0.270 4.228 3.960 -0.004 0.000 0.237 250 G HA3 0.270 4.228 3.960 -0.004 0.000 0.237 250 G C -0.311 174.531 174.900 -0.096 0.000 1.312 250 G CA -0.378 44.666 45.100 -0.094 0.000 0.896 250 G HN 1.492 nan 8.290 nan 0.000 0.574 251 A N -0.840 121.951 122.820 -0.049 0.000 2.429 251 A HA 0.737 5.055 4.320 -0.004 0.000 0.289 251 A C -0.464 177.257 177.584 0.227 0.000 1.043 251 A CA -0.063 52.001 52.037 0.046 0.000 0.722 251 A CB 0.744 19.788 19.000 0.074 0.000 1.243 251 A HN 1.066 nan 8.150 nan 0.000 0.415 252 H N 0.908 120.145 119.070 0.278 0.000 2.629 252 H HA 0.258 4.811 4.556 -0.004 0.000 0.357 252 H C 0.418 175.933 175.328 0.313 0.000 1.121 252 H CA 0.123 56.340 56.048 0.281 0.000 1.406 252 H CB 1.099 31.009 29.762 0.247 0.000 1.456 252 H HN 0.832 nan 8.280 nan 0.000 0.579 253 E N 2.221 122.630 120.200 0.347 0.000 2.374 253 E HA 0.125 4.473 4.350 -0.004 0.000 0.260 253 E C -0.327 176.287 176.600 0.024 0.000 1.101 253 E CA -0.765 55.600 56.400 -0.059 0.000 0.907 253 E CB 0.730 30.349 29.700 -0.136 0.000 1.014 253 E HN 0.642 nan 8.360 nan 0.000 0.427 254 R N 2.262 122.725 120.500 -0.063 0.000 2.807 254 R HA 0.585 4.923 4.340 -0.004 0.000 0.276 254 R C -2.712 173.655 176.300 0.111 0.000 0.979 254 R CA -1.970 54.196 56.100 0.110 0.000 0.928 254 R CB 1.767 32.181 30.300 0.191 0.000 1.191 254 R HN 0.320 nan 8.270 nan 0.000 0.471 255 P HA 0.343 nan 4.420 nan 0.000 0.302 255 P C -0.533 176.913 177.300 0.243 0.000 1.307 255 P CA -0.601 62.666 63.100 0.279 0.000 0.754 255 P CB 1.002 32.959 31.700 0.428 0.000 1.298 256 I N -0.556 120.188 120.570 0.290 0.000 2.509 256 I HA 0.224 4.392 4.170 -0.004 0.000 0.293 256 I C -0.218 176.098 176.117 0.332 0.000 1.020 256 I CA -1.314 60.179 61.300 0.322 0.000 1.088 256 I CB 2.309 40.525 38.000 0.360 0.000 1.267 256 I HN -0.057 nan 8.210 nan 0.000 0.430 257 V N 7.275 127.371 119.914 0.304 0.000 2.389 257 V HA 0.318 4.436 4.120 -0.004 0.000 0.264 257 V C -0.393 175.894 176.094 0.320 0.000 1.049 257 V CA 0.000 62.440 62.300 0.233 0.000 0.932 257 V CB -0.424 31.567 31.823 0.279 0.000 1.011 257 V HN 0.575 nan 8.190 nan 0.000 0.475 258 F N 1.272 121.232 119.950 0.017 0.000 2.713 258 F HA 0.611 5.135 4.527 -0.004 0.000 0.311 258 F C -0.410 175.010 175.800 -0.633 0.000 1.141 258 F CA -1.549 56.299 58.000 -0.253 0.000 0.939 258 F CB 1.362 40.323 39.000 -0.065 0.000 1.325 258 F HN 0.316 nan 8.300 nan 0.000 0.453 259 E N 1.121 120.889 120.200 -0.720 0.000 2.465 259 E HA 0.095 4.442 4.350 -0.004 0.000 0.260 259 E C -0.423 176.154 176.600 -0.038 0.000 0.980 259 E CA 0.745 56.902 56.400 -0.404 0.000 0.927 259 E CB -0.146 29.518 29.700 -0.060 0.000 0.934 259 E HN 0.789 nan 8.360 nan 0.000 0.459 260 N N 2.927 121.637 118.700 0.016 0.000 2.714 260 N HA -0.232 4.506 4.740 -0.004 0.000 0.253 260 N C -0.583 174.907 175.510 -0.034 0.000 1.024 260 N CA 0.595 53.680 53.050 0.058 0.000 0.726 260 N CB -0.754 37.747 38.487 0.024 0.000 0.908 260 N HN 0.526 nan 8.380 nan 0.000 0.542 261 N N -0.093 118.438 118.700 -0.282 0.000 2.276 261 N HA -0.009 4.729 4.740 -0.004 0.000 0.212 261 N C 0.151 175.552 175.510 -0.183 0.000 1.127 261 N CA 0.197 52.889 53.050 -0.597 0.000 0.834 261 N CB 0.282 37.907 38.487 -1.437 0.000 1.014 261 N HN 0.512 nan 8.380 nan 0.000 0.491 262 D N -0.614 119.734 120.400 -0.086 0.000 2.469 262 D HA 0.028 4.665 4.640 -0.004 0.000 0.213 262 D C 0.062 176.281 176.300 -0.136 0.000 1.135 262 D CA -0.327 53.547 54.000 -0.210 0.000 0.834 262 D CB 0.218 40.680 40.800 -0.563 0.000 1.009 262 D HN 0.025 nan 8.370 nan 0.000 0.507 263 R N 1.391 121.865 120.500 -0.043 0.000 2.679 263 R HA 0.249 4.587 4.340 -0.004 0.000 0.268 263 R C -2.345 173.959 176.300 0.008 0.000 1.044 263 R CA -1.191 54.896 56.100 -0.022 0.000 1.105 263 R CB -0.250 30.054 30.300 0.007 0.000 0.989 263 R HN 0.031 nan 8.270 nan 0.000 0.447 264 P HA -0.046 nan 4.420 nan 0.000 0.265 264 P C 0.576 177.892 177.300 0.027 0.000 1.193 264 P CA 0.975 64.079 63.100 0.008 0.000 0.765 264 P CB 0.706 32.397 31.700 -0.014 0.000 0.823 265 G N 2.236 111.061 108.800 0.042 0.000 2.278 265 G HA2 -0.184 3.774 3.960 -0.004 0.000 0.210 265 G HA3 -0.184 3.774 3.960 -0.004 0.000 0.210 265 G C 0.289 175.228 174.900 0.066 0.000 1.000 265 G CA -0.363 44.760 45.100 0.039 0.000 0.635 265 G HN 0.444 nan 8.290 nan 0.000 0.495 269 A N 2.232 124.974 122.820 -0.131 0.000 1.892 269 A HA -0.130 4.188 4.320 -0.004 0.000 0.218 269 A C 1.960 179.526 177.584 -0.031 0.000 1.188 269 A CA 2.545 54.539 52.037 -0.072 0.000 0.631 269 A CB -0.787 18.171 19.000 -0.070 0.000 0.822 269 A HN 1.049 nan 8.150 nan 0.000 0.447 270 G N -0.896 107.899 108.800 -0.008 0.000 2.432 270 G HA2 0.009 3.967 3.960 -0.004 0.000 0.219 270 G HA3 0.009 3.967 3.960 -0.004 0.000 0.219 270 G C 1.690 176.581 174.900 -0.016 0.000 1.135 270 G CA 1.466 46.585 45.100 0.032 0.000 0.767 270 G HN 0.852 nan 8.290 nan 0.000 0.550 271 A N 0.193 122.986 122.820 -0.045 0.000 1.898 271 A HA 0.102 4.420 4.320 -0.004 0.000 0.216 271 A C 2.596 180.187 177.584 0.012 0.000 1.181 271 A CA 1.707 53.701 52.037 -0.071 0.000 0.620 271 A CB -0.617 18.367 19.000 -0.027 0.000 0.819 271 A HN 0.243 nan 8.150 nan 0.000 0.442 272 V N 0.132 120.091 119.914 0.073 0.000 2.332 272 V HA -0.276 3.841 4.120 -0.004 0.000 0.248 272 V C 2.655 178.809 176.094 0.100 0.000 1.055 272 V CA 2.363 64.746 62.300 0.137 0.000 1.038 272 V CB -0.819 31.038 31.823 0.056 0.000 0.651 272 V HN 0.654 nan 8.190 nan 0.000 0.450 273 R N -0.244 120.276 120.500 0.033 0.000 2.092 273 R HA -0.161 4.177 4.340 -0.004 0.000 0.231 273 R C 2.641 178.937 176.300 -0.007 0.000 1.119 273 R CA 1.664 57.774 56.100 0.018 0.000 0.970 273 R CB -0.376 29.928 30.300 0.007 0.000 0.864 273 R HN 0.495 nan 8.270 nan 0.000 0.440 274 S N -0.415 115.245 115.700 -0.067 0.000 2.353 274 S HA -0.181 4.287 4.470 -0.004 0.000 0.222 274 S C 1.733 176.265 174.600 -0.114 0.000 1.035 274 S CA 1.262 59.367 58.200 -0.158 0.000 1.025 274 S CB -0.357 62.680 63.200 -0.272 0.000 0.902 274 S HN 0.470 nan 8.310 nan 0.000 0.440 275 Y N 1.111 121.513 120.300 0.170 0.000 2.274 275 Y HA 0.003 4.550 4.550 -0.004 0.000 0.290 275 Y C 2.139 178.133 175.900 0.156 0.000 1.145 275 Y CA 0.861 59.114 58.100 0.255 0.000 1.203 275 Y CB -0.668 37.887 38.460 0.159 0.000 0.984 275 Y HN 0.292 nan 8.280 nan 0.000 0.533 276 L N 0.266 121.608 121.223 0.199 0.000 1.988 276 L HA -0.182 4.155 4.340 -0.004 0.000 0.207 276 L C 1.637 178.547 176.870 0.068 0.000 1.071 276 L CA 2.092 57.004 54.840 0.121 0.000 0.744 276 L CB -0.747 41.358 42.059 0.078 0.000 0.893 276 L HN 0.143 nan 8.230 nan 0.000 0.433 277 N N -1.442 117.267 118.700 0.016 0.000 2.251 277 N HA -0.083 4.655 4.740 -0.004 0.000 0.181 277 N C 1.892 177.352 175.510 -0.084 0.000 1.019 277 N CA 0.784 53.817 53.050 -0.028 0.000 0.862 277 N CB -0.111 38.352 38.487 -0.040 0.000 0.992 277 N HN 0.216 nan 8.380 nan 0.000 0.429 278 R N -0.251 120.141 120.500 -0.180 0.000 2.100 278 R HA 0.003 4.341 4.340 -0.004 0.000 0.220 278 R C 0.656 176.680 176.300 -0.460 0.000 1.091 278 R CA 1.128 56.989 56.100 -0.398 0.000 0.986 278 R CB 0.151 30.054 30.300 -0.662 0.000 0.888 278 R HN 0.307 nan 8.270 nan 0.000 0.444 279 Y N -1.206 119.136 120.300 0.070 0.000 2.445 279 Y HA 0.352 4.900 4.550 -0.004 0.000 0.247 279 Y C 1.007 176.980 175.900 0.122 0.000 1.129 279 Y CA 0.133 58.306 58.100 0.123 0.000 1.251 279 Y CB 1.024 39.611 38.460 0.211 0.000 1.176 279 Y HN 0.251 nan 8.280 nan 0.000 0.522 280 G N 1.231 110.146 108.800 0.191 0.000 2.295 280 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.287 280 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.287 280 G C -0.553 174.446 174.900 0.165 0.000 1.055 280 G CA 0.369 45.554 45.100 0.141 0.000 0.922 280 G HN 0.146 nan 8.290 nan 0.000 0.503 281 V N -0.039 119.998 119.914 0.204 0.000 2.540 281 V HA 0.571 4.689 4.120 -0.004 0.000 0.302 281 V C 0.602 176.777 176.094 0.135 0.000 1.035 281 V CA -1.014 61.384 62.300 0.162 0.000 0.873 281 V CB 1.943 33.869 31.823 0.171 0.000 0.992 281 V HN 0.433 nan 8.190 nan 0.000 0.428 282 R N 3.034 123.582 120.500 0.081 0.000 2.198 282 R HA 0.534 4.872 4.340 -0.004 0.000 0.339 282 R C 1.223 177.544 176.300 0.036 0.000 1.020 282 R CA 0.196 56.334 56.100 0.063 0.000 0.864 282 R CB 1.331 31.657 30.300 0.044 0.000 1.105 282 R HN 0.922 nan 8.270 nan 0.000 0.463 283 A N 3.514 126.359 122.820 0.042 0.000 1.986 283 A HA -0.021 4.297 4.320 -0.004 0.000 0.220 283 A C 0.915 178.494 177.584 -0.008 0.000 1.171 283 A CA 1.764 53.801 52.037 0.001 0.000 0.640 283 A CB -0.139 18.878 19.000 0.027 0.000 0.811 283 A HN 0.791 nan 8.150 nan 0.000 0.451 284 G N -4.858 103.946 108.800 0.007 0.000 2.608 284 G HA2 0.542 4.500 3.960 -0.004 0.000 0.291 284 G HA3 0.542 4.500 3.960 -0.004 0.000 0.291 284 G C 0.254 175.160 174.900 0.010 0.000 1.425 284 G CA 0.038 45.141 45.100 0.004 0.000 0.787 284 G HN 0.723 nan 8.290 nan 0.000 0.484 285 A N -0.663 122.163 122.820 0.009 0.000 2.095 285 A HA 0.393 4.711 4.320 -0.004 0.000 0.212 285 A C 1.081 178.672 177.584 0.012 0.000 1.162 285 A CA 0.676 52.720 52.037 0.012 0.000 0.753 285 A CB 0.139 19.146 19.000 0.011 0.000 0.840 285 A HN 0.255 nan 8.150 nan 0.000 0.468 286 R N 0.555 121.063 120.500 0.012 0.000 2.494 286 R HA 0.417 4.755 4.340 -0.004 0.000 0.284 286 R C -1.416 174.888 176.300 0.007 0.000 1.525 286 R CA -0.158 55.950 56.100 0.013 0.000 1.460 286 R CB 0.110 30.423 30.300 0.022 0.000 1.134 286 R HN 0.340 nan 8.270 nan 0.000 0.592 287 I N 1.839 122.408 120.570 -0.002 0.000 2.337 287 I HA 0.260 4.428 4.170 -0.004 0.000 0.291 287 I C 0.710 176.805 176.117 -0.037 0.000 1.046 287 I CA -0.345 60.948 61.300 -0.012 0.000 1.324 287 I CB 1.304 39.298 38.000 -0.010 0.000 1.409 287 I HN 0.295 nan 8.210 nan 0.000 0.494 288 A N 6.779 129.572 122.820 -0.046 0.000 2.295 288 A HA 0.788 5.106 4.320 -0.004 0.000 0.318 288 A C -0.488 177.036 177.584 -0.100 0.000 1.134 288 A CA -0.458 51.523 52.037 -0.094 0.000 0.827 288 A CB 1.173 20.117 19.000 -0.094 0.000 1.136 288 A HN 0.466 nan 8.150 nan 0.000 0.493 289 V N 0.791 120.619 119.914 -0.144 0.000 2.540 289 V HA 0.687 4.805 4.120 -0.004 0.000 0.302 289 V C 0.181 176.173 176.094 -0.170 0.000 1.035 289 V CA -0.277 61.934 62.300 -0.148 0.000 0.873 289 V CB 1.480 33.195 31.823 -0.180 0.000 0.992 289 V HN 1.235 nan 8.190 nan 0.000 0.428 290 A N 3.013 125.748 122.820 -0.142 0.000 2.304 290 A HA 0.866 5.184 4.320 -0.004 0.000 0.314 290 A C -0.303 177.202 177.584 -0.131 0.000 1.187 290 A CA -0.476 51.475 52.037 -0.143 0.000 0.810 290 A CB 1.706 20.623 19.000 -0.138 0.000 1.183 290 A HN 0.765 nan 8.150 nan 0.000 0.487 291 T N 0.005 114.477 114.554 -0.136 0.000 2.883 291 T HA 0.592 4.940 4.350 -0.004 0.000 0.301 291 T C 0.711 175.366 174.700 -0.076 0.000 1.158 291 T CA 0.424 62.452 62.100 -0.120 0.000 1.007 291 T CB 1.552 70.309 68.868 -0.184 0.000 1.186 291 T HN 1.122 nan 8.240 nan 0.000 0.499 292 T N 0.024 114.543 114.554 -0.058 0.000 3.040 292 T HA 0.347 4.694 4.350 -0.004 0.000 0.266 292 T C 0.340 175.046 174.700 0.010 0.000 1.005 292 T CA -0.394 61.680 62.100 -0.044 0.000 0.906 292 T CB -0.313 68.504 68.868 -0.085 0.000 1.082 292 T HN 0.738 nan 8.240 nan 0.000 0.531 293 N N -0.236 118.487 118.700 0.039 0.000 3.106 293 N HA 0.197 4.935 4.740 -0.004 0.000 0.253 293 N C -0.965 174.638 175.510 0.155 0.000 1.506 293 N CA -0.501 52.612 53.050 0.105 0.000 0.876 293 N CB 0.860 39.431 38.487 0.141 0.000 1.452 293 N HN -0.253 nan 8.380 nan 0.000 0.542 294 D N 0.301 120.816 120.400 0.192 0.000 2.264 294 D HA -0.109 4.529 4.640 -0.004 0.000 0.208 294 D C 1.869 178.311 176.300 0.237 0.000 0.966 294 D CA 1.529 55.693 54.000 0.273 0.000 0.864 294 D CB -0.217 40.682 40.800 0.165 0.000 0.933 294 D HN 0.634 nan 8.370 nan 0.000 0.499 295 S N 0.950 116.760 115.700 0.183 0.000 2.380 295 S HA -0.257 4.211 4.470 -0.004 0.000 0.229 295 S C 2.190 176.845 174.600 0.092 0.000 1.043 295 S CA 1.558 59.858 58.200 0.166 0.000 1.038 295 S CB -0.512 62.891 63.200 0.339 0.000 0.872 295 S HN 0.233 nan 8.310 nan 0.000 0.456 296 A N 0.224 123.037 122.820 -0.012 0.000 2.070 296 A HA 0.037 4.355 4.320 -0.004 0.000 0.220 296 A C 1.897 179.360 177.584 -0.202 0.000 1.159 296 A CA 1.261 53.209 52.037 -0.149 0.000 0.656 296 A CB -1.063 17.767 19.000 -0.284 0.000 0.800 296 A HN 0.664 nan 8.150 nan 0.000 0.453 297 Y N 0.558 120.866 120.300 0.013 0.000 2.497 297 Y HA -0.111 4.436 4.550 -0.004 0.000 0.292 297 Y C 2.297 178.197 175.900 -0.000 0.000 1.137 297 Y CA 1.330 59.431 58.100 0.000 0.000 1.285 297 Y CB -0.206 38.252 38.460 -0.003 0.000 0.991 297 Y HN 0.497 nan 8.280 nan 0.000 0.556 298 E N -0.492 119.777 120.200 0.115 0.000 2.107 298 E HA -0.160 4.188 4.350 -0.004 0.000 0.191 298 E C 1.996 178.619 176.600 0.039 0.000 0.982 298 E CA 0.971 57.411 56.400 0.068 0.000 0.809 298 E CB -0.294 29.433 29.700 0.045 0.000 0.756 298 E HN 0.346 nan 8.360 nan 0.000 0.459 299 L N 1.113 122.347 121.223 0.019 0.000 2.056 299 L HA -0.138 4.200 4.340 -0.004 0.000 0.207 299 L C 2.222 179.094 176.870 0.004 0.000 1.078 299 L CA 1.353 56.195 54.840 0.004 0.000 0.749 299 L CB -0.412 41.637 42.059 -0.016 0.000 0.901 299 L HN -0.098 nan 8.230 nan 0.000 0.433 300 V N 0.362 120.275 119.914 -0.001 0.000 2.282 300 V HA -0.346 3.772 4.120 -0.004 0.000 0.249 300 V C 2.851 178.967 176.094 0.038 0.000 1.057 300 V CA 2.350 64.659 62.300 0.014 0.000 1.032 300 V CB -0.792 31.060 31.823 0.048 0.000 0.645 300 V HN 0.570 nan 8.190 nan 0.000 0.447 301 R N -0.004 120.528 120.500 0.055 0.000 2.073 301 R HA -0.204 4.134 4.340 -0.004 0.000 0.234 301 R C 2.260 178.575 176.300 0.025 0.000 1.134 301 R CA 2.035 58.160 56.100 0.042 0.000 0.952 301 R CB -0.244 30.081 30.300 0.043 0.000 0.850 301 R HN 0.610 nan 8.270 nan 0.000 0.433 302 E N 0.095 120.309 120.200 0.022 0.000 2.333 302 E HA -0.148 4.200 4.350 -0.004 0.000 0.198 302 E C 1.671 178.281 176.600 0.017 0.000 1.007 302 E CA 0.784 57.194 56.400 0.016 0.000 0.845 302 E CB 0.077 29.785 29.700 0.014 0.000 0.766 302 E HN 0.398 nan 8.360 nan 0.000 0.507 303 L N -0.154 121.079 121.223 0.017 0.000 2.509 303 L HA 0.102 4.440 4.340 -0.004 0.000 0.222 303 L C 2.281 179.160 176.870 0.015 0.000 1.123 303 L CA 0.009 54.858 54.840 0.016 0.000 0.856 303 L CB -0.095 41.970 42.059 0.010 0.000 0.985 303 L HN 0.125 nan 8.230 nan 0.000 0.456 304 A N 0.765 123.594 122.820 0.015 0.000 1.883 304 A HA -0.252 4.066 4.320 -0.004 0.000 0.217 304 A C 2.514 180.105 177.584 0.013 0.000 1.186 304 A CA 1.867 53.913 52.037 0.014 0.000 0.624 304 A CB -0.628 18.381 19.000 0.015 0.000 0.822 304 A HN 0.383 nan 8.150 nan 0.000 0.444 305 A N -0.706 122.122 122.820 0.013 0.000 2.131 305 A HA -0.023 4.295 4.320 -0.004 0.000 0.220 305 A C 1.859 179.451 177.584 0.013 0.000 1.158 305 A CA 2.121 54.165 52.037 0.012 0.000 0.665 305 A CB -0.902 18.105 19.000 0.011 0.000 0.795 305 A HN 0.933 nan 8.150 nan 0.000 0.460 306 T N -5.830 108.733 114.554 0.015 0.000 3.296 306 T HA 0.508 4.856 4.350 -0.004 0.000 0.285 306 T C 0.904 175.613 174.700 0.015 0.000 1.014 306 T CA 0.775 62.885 62.100 0.017 0.000 0.920 306 T CB 0.258 69.138 68.868 0.020 0.000 1.143 306 T HN 1.534 nan 8.240 nan 0.000 0.522 307 G N -0.063 108.745 108.800 0.014 0.000 2.229 307 G HA2 0.275 4.233 3.960 -0.004 0.000 0.189 307 G HA3 0.275 4.233 3.960 -0.004 0.000 0.189 307 G C 0.952 175.859 174.900 0.011 0.000 1.000 307 G CA 0.213 45.321 45.100 0.013 0.000 0.663 307 G HN 1.640 nan 8.290 nan 0.000 0.493 308 G N -1.237 107.570 108.800 0.011 0.000 2.552 308 G HA2 0.190 4.148 3.960 -0.004 0.000 0.265 308 G HA3 0.190 4.148 3.960 -0.004 0.000 0.265 308 G C 0.619 175.519 174.900 0.000 0.000 1.234 308 G CA 1.878 46.983 45.100 0.008 0.000 0.944 308 G HN 2.088 nan 8.290 nan 0.000 0.568 309 V N -2.846 117.063 119.914 -0.008 0.000 3.046 309 V HA 0.777 4.894 4.120 -0.004 0.000 0.316 309 V C 1.411 177.485 176.094 -0.034 0.000 1.104 309 V CA 0.003 62.287 62.300 -0.027 0.000 1.006 309 V CB 1.207 33.002 31.823 -0.047 0.000 1.058 309 V HN 1.226 nan 8.190 nan 0.000 0.440 310 V N 1.058 120.940 119.914 -0.054 0.000 2.307 310 V HA 0.352 4.470 4.120 -0.004 0.000 0.245 310 V C 1.087 177.096 176.094 -0.141 0.000 1.045 310 V CA 2.296 64.561 62.300 -0.058 0.000 1.024 310 V CB -0.381 31.408 31.823 -0.056 0.000 0.651 310 V HN 1.538 nan 8.190 nan 0.000 0.449 311 A N -1.753 120.934 122.820 -0.221 0.000 2.522 311 A HA 0.589 4.906 4.320 -0.004 0.000 0.294 311 A C -1.580 175.852 177.584 -0.254 0.000 1.001 311 A CA -0.409 51.455 52.037 -0.289 0.000 0.642 311 A CB 1.071 19.691 19.000 -0.633 0.000 1.326 311 A HN 0.008 nan 8.150 nan 0.000 0.435 312 V N 2.227 122.027 119.914 -0.190 0.000 2.378 312 V HA 0.403 4.521 4.120 -0.004 0.000 0.288 312 V C -0.655 175.350 176.094 -0.149 0.000 1.016 312 V CA -0.481 61.719 62.300 -0.166 0.000 0.840 312 V CB 1.283 33.045 31.823 -0.102 0.000 0.994 312 V HN 0.612 nan 8.190 nan 0.000 0.431 313 I N 3.922 124.387 120.570 -0.176 0.000 2.281 313 I HA 0.331 4.498 4.170 -0.004 0.000 0.293 313 I C 0.194 176.255 176.117 -0.094 0.000 1.085 313 I CA -0.162 61.058 61.300 -0.134 0.000 1.257 313 I CB 0.581 38.487 38.000 -0.156 0.000 1.430 313 I HN 0.544 nan 8.210 nan 0.000 0.489 314 D N 5.134 125.512 120.400 -0.037 0.000 2.274 314 D HA 0.390 5.028 4.640 -0.004 0.000 0.239 314 D C 0.870 177.163 176.300 -0.011 0.000 1.104 314 D CA -0.242 53.757 54.000 -0.001 0.000 0.840 314 D CB 2.179 43.033 40.800 0.090 0.000 1.100 314 D HN 0.578 nan 8.370 nan 0.000 0.477 315 A N 5.050 127.852 122.820 -0.029 0.000 2.015 315 A HA -0.088 4.229 4.320 -0.004 0.000 0.219 315 A C 1.158 178.729 177.584 -0.022 0.000 1.163 315 A CA 0.690 52.705 52.037 -0.038 0.000 0.646 315 A CB -0.013 18.949 19.000 -0.064 0.000 0.806 315 A HN 0.562 nan 8.150 nan 0.000 0.448 316 R N 0.234 120.732 120.500 -0.003 0.000 2.537 316 R HA 0.261 4.599 4.340 -0.004 0.000 0.280 316 R C 0.980 177.285 176.300 0.009 0.000 1.058 316 R CA 0.216 56.319 56.100 0.005 0.000 1.057 316 R CB 0.519 30.833 30.300 0.024 0.000 0.973 316 R HN 0.280 nan 8.270 nan 0.000 0.438 317 S N 0.737 116.440 115.700 0.005 0.000 2.383 317 S HA -0.066 4.402 4.470 -0.004 0.000 0.227 317 S C 0.462 175.066 174.600 0.007 0.000 1.026 317 S CA 0.949 59.152 58.200 0.006 0.000 0.981 317 S CB 0.258 63.461 63.200 0.005 0.000 0.818 317 S HN 0.527 nan 8.310 nan 0.000 0.472 318 S N 1.600 117.304 115.700 0.007 0.000 2.508 318 S HA 0.423 4.890 4.470 -0.004 0.000 0.284 318 S C -0.073 174.527 174.600 -0.001 0.000 1.192 318 S CA -0.572 57.630 58.200 0.002 0.000 1.070 318 S CB 0.835 64.036 63.200 0.001 0.000 1.004 318 S HN 0.213 nan 8.310 nan 0.000 0.493 319 I N 3.818 124.381 120.570 -0.012 0.000 2.436 319 I HA 0.055 4.223 4.170 -0.004 0.000 0.289 319 I C 1.221 177.308 176.117 -0.050 0.000 1.083 319 I CA -0.035 61.246 61.300 -0.031 0.000 1.372 319 I CB -0.026 37.950 38.000 -0.040 0.000 1.408 319 I HN 0.696 nan 8.210 nan 0.000 0.516 320 S N 5.350 121.011 115.700 -0.065 0.000 2.608 320 S HA 0.324 4.792 4.470 -0.004 0.000 0.261 320 S C 1.320 175.849 174.600 -0.117 0.000 1.314 320 S CA -0.091 58.065 58.200 -0.072 0.000 0.992 320 S CB 1.580 64.749 63.200 -0.053 0.000 0.935 320 S HN 0.692 nan 8.310 nan 0.000 0.564 321 A N 1.530 124.293 122.820 -0.094 0.000 1.908 321 A HA 0.083 4.401 4.320 -0.004 0.000 0.218 321 A C 2.437 179.928 177.584 -0.156 0.000 1.181 321 A CA 2.038 54.014 52.037 -0.100 0.000 0.627 321 A CB -1.779 17.179 19.000 -0.069 0.000 0.818 321 A HN 1.381 nan 8.150 nan 0.000 0.445 322 A N -0.244 122.465 122.820 -0.185 0.000 1.902 322 A HA 0.140 4.458 4.320 -0.004 0.000 0.217 322 A C 2.508 179.735 177.584 -0.595 0.000 1.181 322 A CA 2.199 54.071 52.037 -0.275 0.000 0.623 322 A CB -1.014 17.881 19.000 -0.175 0.000 0.818 322 A HN 1.107 nan 8.150 nan 0.000 0.443 323 A N -0.289 122.081 122.820 -0.749 0.000 1.930 323 A HA 0.215 4.532 4.320 -0.004 0.000 0.217 323 A C 2.472 179.815 177.584 -0.401 0.000 1.175 323 A CA 1.882 53.374 52.037 -0.909 0.000 0.627 323 A CB -0.920 17.788 19.000 -0.486 0.000 0.815 323 A HN 1.036 nan 8.150 nan 0.000 0.443 324 A N -0.819 121.849 122.820 -0.253 0.000 1.902 324 A HA -0.206 4.112 4.320 -0.004 0.000 0.217 324 A C 2.148 179.656 177.584 -0.127 0.000 1.181 324 A CA 2.123 54.073 52.037 -0.144 0.000 0.623 324 A CB -0.491 18.446 19.000 -0.105 0.000 0.818 324 A HN 0.522 nan 8.150 nan 0.000 0.443 325 Q N -0.082 119.628 119.800 -0.150 0.000 2.124 325 Q HA -0.017 4.320 4.340 -0.004 0.000 0.202 325 Q C 2.037 177.987 176.000 -0.083 0.000 0.977 325 Q CA 2.085 57.827 55.803 -0.102 0.000 0.850 325 Q CB -0.643 28.038 28.738 -0.095 0.000 0.901 325 Q HN 0.552 nan 8.270 nan 0.000 0.429 326 A N -0.547 122.199 122.820 -0.123 0.000 1.877 326 A HA -0.149 4.169 4.320 -0.004 0.000 0.216 326 A C 2.291 179.865 177.584 -0.016 0.000 1.186 326 A CA 1.744 53.763 52.037 -0.031 0.000 0.620 326 A CB -1.009 18.010 19.000 0.032 0.000 0.822 326 A HN 0.266 nan 8.150 nan 0.000 0.443 327 V N -0.068 119.821 119.914 -0.042 0.000 2.287 327 V HA -0.296 3.822 4.120 -0.004 0.000 0.248 327 V C 3.026 179.110 176.094 -0.017 0.000 1.053 327 V CA 2.095 64.383 62.300 -0.021 0.000 1.027 327 V CB -1.233 30.571 31.823 -0.031 0.000 0.646 327 V HN 0.628 nan 8.190 nan 0.000 0.447 328 A N -0.546 122.257 122.820 -0.028 0.000 2.070 328 A HA -0.199 4.119 4.320 -0.004 0.000 0.220 328 A C 1.757 179.334 177.584 -0.012 0.000 1.159 328 A CA 1.701 53.726 52.037 -0.021 0.000 0.656 328 A CB -0.439 18.544 19.000 -0.028 0.000 0.800 328 A HN 0.559 nan 8.150 nan 0.000 0.453 329 D N -1.084 119.310 120.400 -0.009 0.000 2.336 329 D HA 0.254 4.892 4.640 -0.004 0.000 0.229 329 D C 1.328 177.632 176.300 0.007 0.000 1.061 329 D CA 1.042 55.042 54.000 0.000 0.000 0.875 329 D CB 0.030 40.833 40.800 0.006 0.000 0.904 329 D HN 0.577 nan 8.370 nan 0.000 0.525 330 G N 0.208 109.012 108.800 0.006 0.000 2.141 330 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.242 330 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.242 330 G C 0.380 175.290 174.900 0.016 0.000 0.982 330 G CA 0.143 45.249 45.100 0.011 0.000 0.662 330 G HN 0.279 nan 8.290 nan 0.000 0.527 331 V N 0.909 120.836 119.914 0.021 0.000 2.649 331 V HA 0.390 4.508 4.120 -0.004 0.000 0.292 331 V C 0.946 177.055 176.094 0.025 0.000 1.055 331 V CA 0.015 62.331 62.300 0.028 0.000 1.023 331 V CB 1.803 33.659 31.823 0.054 0.000 0.992 331 V HN 0.477 nan 8.190 nan 0.000 0.480 332 Q N 3.543 123.350 119.800 0.011 0.000 2.344 332 Q HA 0.362 4.700 4.340 -0.004 0.000 0.253 332 Q C -1.188 174.805 176.000 -0.011 0.000 1.050 332 Q CA -0.222 55.585 55.803 0.006 0.000 0.912 332 Q CB 0.938 29.679 28.738 0.005 0.000 1.258 332 Q HN 0.635 nan 8.270 nan 0.000 0.443 333 V N 6.546 126.471 119.914 0.019 0.000 2.398 333 V HA 0.409 4.527 4.120 -0.004 0.000 0.286 333 V C -0.118 175.989 176.094 0.021 0.000 1.026 333 V CA -0.619 61.702 62.300 0.034 0.000 0.868 333 V CB 1.586 33.455 31.823 0.077 0.000 0.982 333 V HN 0.711 nan 8.190 nan 0.000 0.443 334 I N 3.771 124.343 120.570 0.003 0.000 2.359 334 I HA 0.341 4.509 4.170 -0.004 0.000 0.284 334 I C 0.474 176.602 176.117 0.018 0.000 1.018 334 I CA 0.081 61.392 61.300 0.018 0.000 1.173 334 I CB 1.521 39.532 38.000 0.018 0.000 1.326 334 I HN 0.531 nan 8.210 nan 0.000 0.462 335 S N 3.603 119.318 115.700 0.025 0.000 2.614 335 S HA 0.345 4.813 4.470 -0.004 0.000 0.265 335 S C 1.206 175.814 174.600 0.014 0.000 1.303 335 S CA 0.201 58.413 58.200 0.022 0.000 1.000 335 S CB 1.224 64.436 63.200 0.019 0.000 0.935 335 S HN 1.044 nan 8.310 nan 0.000 0.551 336 G N 1.330 110.135 108.800 0.009 0.000 2.337 336 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.290 336 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.290 336 G C 0.058 174.957 174.900 -0.003 0.000 1.003 336 G CA 0.642 45.743 45.100 0.002 0.000 0.825 336 G HN 0.598 nan 8.290 nan 0.000 0.509 337 S N -1.968 113.726 115.700 -0.009 0.000 2.634 337 S HA 0.866 5.334 4.470 -0.004 0.000 0.296 337 S C -0.001 174.572 174.600 -0.045 0.000 1.104 337 S CA -0.191 58.000 58.200 -0.015 0.000 0.920 337 S CB 2.884 66.086 63.200 0.003 0.000 1.111 337 S HN 1.521 nan 8.310 nan 0.000 0.493 338 V N -1.714 118.164 119.914 -0.060 0.000 3.159 338 V HA 0.760 4.878 4.120 -0.004 0.000 0.308 338 V C -0.791 175.200 176.094 -0.173 0.000 1.190 338 V CA -0.963 61.265 62.300 -0.120 0.000 1.037 338 V CB 1.347 33.109 31.823 -0.101 0.000 1.060 338 V HN 0.571 nan 8.190 nan 0.000 0.437 339 V N 2.488 122.195 119.914 -0.344 0.000 2.508 339 V HA 0.256 4.373 4.120 -0.004 0.000 0.281 339 V C 1.265 177.079 176.094 -0.466 0.000 1.041 339 V CA 0.702 62.735 62.300 -0.444 0.000 1.016 339 V CB 1.201 32.585 31.823 -0.733 0.000 0.984 339 V HN 1.164 nan 8.190 nan 0.000 0.478 340 V N -0.026 119.778 119.914 -0.184 0.000 3.643 340 V HA 0.505 4.623 4.120 -0.004 0.000 0.280 340 V C 0.234 176.374 176.094 0.076 0.000 1.351 340 V CA 0.397 62.682 62.300 -0.025 0.000 1.073 340 V CB 0.438 32.275 31.823 0.023 0.000 0.863 340 V HN 0.810 nan 8.190 nan 0.000 0.436 341 D N -0.286 120.156 120.400 0.070 0.000 2.742 341 D HA 0.508 5.146 4.640 -0.004 0.000 0.262 341 D C -1.038 175.341 176.300 0.132 0.000 1.240 341 D CA 0.716 54.800 54.000 0.140 0.000 0.752 341 D CB 2.142 42.989 40.800 0.078 0.000 1.290 341 D HN 0.465 nan 8.370 nan 0.000 0.420 342 T N -1.646 112.990 114.554 0.136 0.000 2.883 342 T HA 0.790 5.138 4.350 -0.004 0.000 0.301 342 T C -0.675 174.056 174.700 0.051 0.000 1.158 342 T CA -0.743 61.423 62.100 0.110 0.000 1.007 342 T CB 2.127 71.094 68.868 0.165 0.000 1.186 342 T HN 0.264 nan 8.240 nan 0.000 0.499 343 E N -0.170 120.052 120.200 0.037 0.000 2.281 343 E HA 0.727 5.075 4.350 -0.004 0.000 0.262 343 E C -0.817 175.787 176.600 0.006 0.000 0.933 343 E CA -1.402 55.003 56.400 0.009 0.000 0.809 343 E CB 2.255 31.960 29.700 0.008 0.000 1.242 343 E HN 0.967 nan 8.360 nan 0.000 0.418 344 A N 1.408 124.221 122.820 -0.011 0.000 2.423 344 A HA 0.514 4.832 4.320 -0.004 0.000 0.304 344 A C -1.065 176.512 177.584 -0.012 0.000 1.104 344 A CA -0.865 51.165 52.037 -0.012 0.000 0.757 344 A CB 1.057 20.041 19.000 -0.027 0.000 1.313 344 A HN 0.683 nan 8.150 nan 0.000 0.423 345 D N -0.030 120.364 120.400 -0.009 0.000 2.440 345 D HA 0.187 4.825 4.640 -0.004 0.000 0.269 345 D C 1.118 177.411 176.300 -0.013 0.000 1.249 345 D CA 0.110 54.105 54.000 -0.009 0.000 1.055 345 D CB 0.202 40.999 40.800 -0.005 0.000 1.104 345 D HN 0.540 nan 8.370 nan 0.000 0.561 346 E N -0.032 120.161 120.200 -0.011 0.000 2.267 346 E HA -0.267 4.081 4.350 -0.004 0.000 0.197 346 E C 0.304 176.896 176.600 -0.013 0.000 0.998 346 E CA 1.176 57.569 56.400 -0.012 0.000 0.830 346 E CB -0.876 28.819 29.700 -0.009 0.000 0.751 346 E HN 0.571 nan 8.360 nan 0.000 0.491 347 N N 0.069 118.760 118.700 -0.014 0.000 2.235 347 N HA 0.214 4.952 4.740 -0.004 0.000 0.209 347 N C 0.680 176.178 175.510 -0.020 0.000 1.122 347 N CA 0.390 53.431 53.050 -0.016 0.000 0.845 347 N CB 1.070 39.547 38.487 -0.016 0.000 1.004 347 N HN 0.353 nan 8.380 nan 0.000 0.499 348 G N 0.662 109.449 108.800 -0.021 0.000 2.162 348 G HA2 -0.306 3.652 3.960 -0.004 0.000 0.260 348 G HA3 -0.306 3.652 3.960 -0.004 0.000 0.260 348 G C -0.176 174.709 174.900 -0.024 0.000 0.976 348 G CA 0.026 45.110 45.100 -0.027 0.000 0.655 348 G HN 0.396 nan 8.290 nan 0.000 0.533 349 E N -0.560 119.630 120.200 -0.016 0.000 2.313 349 E HA 0.506 4.854 4.350 -0.004 0.000 0.272 349 E C 0.478 177.078 176.600 0.000 0.000 1.038 349 E CA -1.073 55.321 56.400 -0.010 0.000 0.863 349 E CB 1.467 31.162 29.700 -0.009 0.000 1.060 349 E HN 0.226 nan 8.360 nan 0.000 0.402 350 L N 2.491 123.721 121.223 0.011 0.000 2.578 350 L HA -0.116 4.222 4.340 -0.004 0.000 0.279 350 L C 0.683 177.567 176.870 0.023 0.000 1.227 350 L CA 1.093 55.949 54.840 0.026 0.000 0.900 350 L CB 0.465 42.550 42.059 0.043 0.000 1.144 350 L HN 0.630 nan 8.230 nan 0.000 0.496 351 S N 2.616 118.331 115.700 0.025 0.000 2.663 351 S HA 0.727 5.195 4.470 -0.004 0.000 0.247 351 S C 0.294 174.915 174.600 0.035 0.000 1.074 351 S CA 0.137 58.351 58.200 0.023 0.000 0.955 351 S CB 0.290 63.497 63.200 0.013 0.000 0.901 351 S HN 1.056 nan 8.310 nan 0.000 0.505 352 A N 1.333 124.179 122.820 0.044 0.000 2.605 352 A HA 0.734 5.052 4.320 -0.004 0.000 0.294 352 A C -1.307 176.321 177.584 0.074 0.000 1.062 352 A CA -0.986 51.088 52.037 0.061 0.000 0.682 352 A CB 0.827 19.852 19.000 0.042 0.000 1.278 352 A HN 0.858 nan 8.150 nan 0.000 0.410 353 I N -0.944 119.687 120.570 0.102 0.000 2.603 353 I HA 0.874 5.042 4.170 -0.004 0.000 0.300 353 I C -1.105 175.076 176.117 0.107 0.000 1.017 353 I CA -1.150 60.207 61.300 0.096 0.000 1.098 353 I CB 2.032 40.079 38.000 0.078 0.000 1.279 353 I HN 0.262 nan 8.210 nan 0.000 0.437 354 V N 5.904 125.855 119.914 0.062 0.000 2.435 354 V HA 0.528 4.646 4.120 -0.004 0.000 0.290 354 V C 0.070 176.187 176.094 0.038 0.000 1.030 354 V CA -0.526 61.801 62.300 0.046 0.000 0.881 354 V CB 1.694 33.532 31.823 0.025 0.000 0.983 354 V HN 0.610 nan 8.190 nan 0.000 0.445 355 V N 3.322 123.280 119.914 0.074 0.000 2.769 355 V HA 0.988 5.105 4.120 -0.004 0.000 0.312 355 V C 0.055 176.176 176.094 0.045 0.000 1.061 355 V CA -0.381 61.958 62.300 0.066 0.000 0.931 355 V CB 1.886 33.815 31.823 0.178 0.000 1.010 355 V HN 1.086 nan 8.190 nan 0.000 0.433 356 A N 2.535 125.367 122.820 0.021 0.000 2.594 356 A HA 0.719 5.037 4.320 -0.004 0.000 0.295 356 A C -0.857 176.735 177.584 0.015 0.000 1.071 356 A CA -0.689 51.361 52.037 0.021 0.000 0.685 356 A CB 1.343 20.355 19.000 0.019 0.000 1.285 356 A HN 0.761 nan 8.150 nan 0.000 0.405 357 E N -0.265 119.945 120.200 0.018 0.000 2.373 357 E HA 0.344 4.691 4.350 -0.004 0.000 0.267 357 E C -1.263 175.345 176.600 0.013 0.000 1.032 357 E CA -0.215 56.193 56.400 0.014 0.000 0.889 357 E CB 1.153 30.863 29.700 0.016 0.000 0.984 357 E HN 0.419 nan 8.360 nan 0.000 0.425 358 L N 4.403 125.630 121.223 0.008 0.000 2.353 358 L HA 0.217 4.555 4.340 -0.004 0.000 0.270 358 L C -0.817 176.058 176.870 0.007 0.000 1.003 358 L CA -0.516 54.331 54.840 0.011 0.000 0.862 358 L CB 0.688 42.750 42.059 0.006 0.000 1.221 358 L HN 0.450 nan 8.230 nan 0.000 0.430 359 D N 1.765 122.173 120.400 0.012 0.000 2.380 359 D HA 0.025 4.662 4.640 -0.004 0.000 0.254 359 D C 0.669 176.974 176.300 0.008 0.000 1.288 359 D CA -0.024 53.982 54.000 0.010 0.000 1.008 359 D CB 0.552 41.360 40.800 0.013 0.000 1.099 359 D HN 0.577 nan 8.370 nan 0.000 0.537 360 E N -0.938 119.267 120.200 0.008 0.000 2.204 360 E HA -0.116 4.232 4.350 -0.004 0.000 0.195 360 E C 1.393 178.001 176.600 0.013 0.000 0.990 360 E CA 1.265 57.670 56.400 0.008 0.000 0.821 360 E CB -0.207 29.500 29.700 0.011 0.000 0.750 360 E HN 0.535 nan 8.360 nan 0.000 0.477 361 A N 0.663 123.493 122.820 0.016 0.000 2.327 361 A HA 0.110 4.428 4.320 -0.004 0.000 0.228 361 A C 0.182 177.781 177.584 0.025 0.000 1.275 361 A CA -0.207 51.842 52.037 0.020 0.000 0.875 361 A CB -0.280 18.732 19.000 0.019 0.000 0.925 361 A HN 0.146 nan 8.150 nan 0.000 0.493 362 R N -0.360 120.155 120.500 0.026 0.000 3.422 362 R HA -0.145 4.193 4.340 -0.004 0.000 0.267 362 R C -1.086 175.241 176.300 0.045 0.000 1.074 362 R CA 1.097 57.219 56.100 0.036 0.000 0.718 362 R CB -1.763 28.564 30.300 0.045 0.000 1.157 362 R HN 0.758 nan 8.270 nan 0.000 0.440 363 E N 0.519 120.742 120.200 0.037 0.000 2.199 363 E HA 0.379 4.727 4.350 -0.004 0.000 0.269 363 E C -0.104 176.519 176.600 0.037 0.000 0.899 363 E CA -0.813 55.611 56.400 0.040 0.000 0.772 363 E CB 1.630 31.349 29.700 0.032 0.000 1.155 363 E HN 0.102 nan 8.360 nan 0.000 0.408 364 L N 1.932 123.181 121.223 0.044 0.000 2.350 364 L HA 0.431 4.769 4.340 -0.004 0.000 0.275 364 L C 0.895 177.782 176.870 0.029 0.000 1.099 364 L CA -0.388 54.475 54.840 0.038 0.000 0.808 364 L CB 0.815 42.902 42.059 0.047 0.000 1.149 364 L HN 0.623 nan 8.230 nan 0.000 0.442 365 G N 0.829 109.643 108.800 0.023 0.000 2.583 365 G HA2 0.509 4.466 3.960 -0.004 0.000 0.280 365 G HA3 0.509 4.466 3.960 -0.004 0.000 0.280 365 G C -0.055 174.855 174.900 0.017 0.000 1.376 365 G CA -0.441 44.670 45.100 0.019 0.000 1.043 365 G HN 0.743 nan 8.290 nan 0.000 0.538 366 G N -0.832 107.975 108.800 0.012 0.000 2.554 366 G HA2 0.439 4.396 3.960 -0.004 0.000 0.238 366 G HA3 0.439 4.396 3.960 -0.004 0.000 0.238 366 G C 0.541 175.445 174.900 0.006 0.000 1.259 366 G CA 0.729 45.833 45.100 0.007 0.000 0.843 366 G HN 0.903 nan 8.290 nan 0.000 0.582 367 T N -1.202 113.352 114.554 -0.000 0.000 2.927 367 T HA 0.673 5.021 4.350 -0.004 0.000 0.281 367 T C -0.139 174.544 174.700 -0.028 0.000 0.998 367 T CA -0.664 61.434 62.100 -0.003 0.000 1.019 367 T CB 1.729 70.597 68.868 -0.001 0.000 1.061 367 T HN 0.856 nan 8.240 nan 0.000 0.518 368 Q N 0.009 119.784 119.800 -0.042 0.000 2.501 368 Q HA 0.656 4.993 4.340 -0.004 0.000 0.288 368 Q C -1.330 174.559 176.000 -0.185 0.000 1.051 368 Q CA -1.349 54.373 55.803 -0.135 0.000 0.788 368 Q CB 2.020 30.659 28.738 -0.164 0.000 1.469 368 Q HN 0.687 nan 8.270 nan 0.000 0.416 369 R N 0.287 120.580 120.500 -0.345 0.000 2.832 369 R HA 0.749 5.087 4.340 -0.004 0.000 0.271 369 R C -1.277 174.667 176.300 -0.593 0.000 0.996 369 R CA -0.654 55.275 56.100 -0.285 0.000 0.977 369 R CB 1.473 31.681 30.300 -0.153 0.000 1.168 369 R HN 0.521 nan 8.270 nan 0.000 0.482 370 F N 0.317 120.260 119.950 -0.012 0.000 2.588 370 F HA 0.215 4.740 4.527 -0.004 0.000 0.314 370 F C -0.159 175.637 175.800 -0.007 0.000 1.134 370 F CA -0.998 56.996 58.000 -0.010 0.000 0.961 370 F CB 1.889 40.880 39.000 -0.015 0.000 1.239 370 F HN 0.208 nan 8.300 nan 0.000 0.448 371 E N 2.202 122.504 120.200 0.170 0.000 2.354 371 E HA 0.683 5.030 4.350 -0.004 0.000 0.269 371 E C -0.552 176.108 176.600 0.100 0.000 1.036 371 E CA -0.266 56.193 56.400 0.099 0.000 0.876 371 E CB 1.673 31.412 29.700 0.064 0.000 1.009 371 E HN 0.691 nan 8.360 nan 0.000 0.416 372 A N 2.035 124.896 122.820 0.068 0.000 2.582 372 A HA 0.317 4.635 4.320 -0.004 0.000 0.297 372 A C -0.525 177.080 177.584 0.035 0.000 1.059 372 A CA -0.702 51.364 52.037 0.048 0.000 0.705 372 A CB 0.940 19.967 19.000 0.044 0.000 1.279 372 A HN 0.560 nan 8.150 nan 0.000 0.404 373 D N 0.228 120.642 120.400 0.025 0.000 2.379 373 D HA 0.321 4.959 4.640 -0.004 0.000 0.208 373 D C 0.097 176.408 176.300 0.018 0.000 1.065 373 D CA 0.360 54.371 54.000 0.019 0.000 0.848 373 D CB 0.532 41.339 40.800 0.011 0.000 0.949 373 D HN 0.364 nan 8.370 nan 0.000 0.509 374 V N 0.613 120.538 119.914 0.019 0.000 2.851 374 V HA 0.396 4.514 4.120 -0.004 0.000 0.307 374 V C -1.669 174.436 176.094 0.017 0.000 1.129 374 V CA -1.049 61.262 62.300 0.018 0.000 0.932 374 V CB 2.645 34.474 31.823 0.010 0.000 1.024 374 V HN 0.093 nan 8.190 nan 0.000 0.426 375 L N 4.346 125.588 121.223 0.030 0.000 2.345 375 L HA 0.872 5.210 4.340 -0.004 0.000 0.274 375 L C 0.225 177.103 176.870 0.012 0.000 0.999 375 L CA -0.290 54.566 54.840 0.026 0.000 0.849 375 L CB 1.233 43.339 42.059 0.077 0.000 1.220 375 L HN 0.787 nan 8.230 nan 0.000 0.422 376 A N 5.463 128.267 122.820 -0.025 0.000 2.376 376 A HA 0.589 4.907 4.320 -0.004 0.000 0.298 376 A C -0.493 177.056 177.584 -0.058 0.000 1.271 376 A CA -0.379 51.628 52.037 -0.049 0.000 0.926 376 A CB -0.032 18.935 19.000 -0.056 0.000 1.141 376 A HN 0.511 nan 8.150 nan 0.000 0.539 377 V N 2.533 122.416 119.914 -0.052 0.000 2.383 377 V HA 0.516 4.634 4.120 -0.004 0.000 0.275 377 V C 0.674 176.721 176.094 -0.079 0.000 1.036 377 V CA 0.063 62.349 62.300 -0.024 0.000 0.889 377 V CB 1.114 32.988 31.823 0.086 0.000 0.985 377 V HN 0.981 nan 8.190 nan 0.000 0.459 378 A N 3.672 126.436 122.820 -0.095 0.000 2.786 378 A HA 0.616 4.934 4.320 -0.004 0.000 0.346 378 A C 1.148 178.643 177.584 -0.148 0.000 1.265 378 A CA 0.044 51.991 52.037 -0.150 0.000 0.858 378 A CB 0.270 19.196 19.000 -0.123 0.000 1.118 378 A HN 0.973 nan 8.150 nan 0.000 0.482 379 G N 0.458 109.176 108.800 -0.137 0.000 3.181 379 G HA2 0.495 4.453 3.960 -0.004 0.000 0.219 379 G HA3 0.495 4.453 3.960 -0.004 0.000 0.219 379 G C 0.835 175.658 174.900 -0.128 0.000 1.182 379 G CA 0.653 45.703 45.100 -0.084 0.000 0.791 379 G HN 1.858 nan 8.290 nan 0.000 0.537 380 G N -0.893 107.733 108.800 -0.290 0.000 2.483 380 G HA2 0.112 4.070 3.960 -0.004 0.000 0.521 380 G HA3 0.112 4.070 3.960 -0.004 0.000 0.521 380 G C -0.967 173.589 174.900 -0.575 0.000 1.278 380 G CA -1.034 43.922 45.100 -0.240 0.000 0.965 380 G HN 0.370 nan 8.290 nan 0.000 0.504 381 F N 0.195 120.220 119.950 0.125 0.000 2.565 381 F HA 0.586 5.110 4.527 -0.004 0.000 0.313 381 F C 0.236 176.133 175.800 0.162 0.000 1.091 381 F CA -0.780 57.302 58.000 0.136 0.000 0.915 381 F CB 2.534 41.583 39.000 0.082 0.000 1.208 381 F HN 0.433 nan 8.300 nan 0.000 0.453 382 N N 3.317 122.237 118.700 0.366 0.000 2.558 382 N HA 0.368 5.106 4.740 -0.004 0.000 0.242 382 N C -2.819 172.848 175.510 0.262 0.000 0.979 382 N CA -1.608 51.638 53.050 0.327 0.000 0.931 382 N CB 1.255 39.967 38.487 0.375 0.000 1.122 382 N HN 0.141 nan 8.380 nan 0.000 0.508 383 P HA -0.090 nan 4.420 nan 0.000 0.261 383 P C -0.413 176.932 177.300 0.075 0.000 1.173 383 P CA 0.067 63.215 63.100 0.080 0.000 0.760 383 P CB 0.623 32.341 31.700 0.031 0.000 0.783 384 V N 5.150 125.059 119.914 -0.007 0.000 2.341 384 V HA -0.022 4.095 4.120 -0.004 0.000 0.248 384 V C 1.587 177.681 176.094 -0.000 0.000 1.107 384 V CA 0.391 62.706 62.300 0.026 0.000 1.069 384 V CB -0.169 31.528 31.823 -0.209 0.000 1.177 384 V HN 0.481 nan 8.190 nan 0.000 0.492 385 V N 0.553 120.442 119.914 -0.042 0.000 3.647 385 V HA 0.081 4.199 4.120 -0.004 0.000 0.279 385 V C 1.813 177.687 176.094 -0.366 0.000 1.314 385 V CA 0.430 62.600 62.300 -0.216 0.000 1.125 385 V CB -1.137 30.531 31.823 -0.257 0.000 0.907 385 V HN 0.755 nan 8.190 nan 0.000 0.434 386 H N 1.616 120.405 119.070 -0.470 0.000 2.260 386 H HA -0.214 4.341 4.556 -0.002 0.000 0.288 386 H C 2.082 177.281 175.328 -0.216 0.000 1.094 386 H CA 2.804 58.640 56.048 -0.353 0.000 1.197 386 H CB -0.765 29.041 29.762 0.072 0.000 1.346 386 H HN 0.393 nan 8.280 nan 0.000 0.486 387 L N -0.637 120.552 121.223 -0.056 0.000 2.079 387 L HA -0.229 4.109 4.340 -0.004 0.000 0.210 387 L C 2.631 179.453 176.870 -0.079 0.000 1.081 387 L CA 1.641 56.426 54.840 -0.091 0.000 0.752 387 L CB -0.601 41.375 42.059 -0.138 0.000 0.896 387 L HN 0.529 nan 8.230 nan 0.000 0.433 388 H N -0.034 118.933 119.070 -0.172 0.000 2.299 388 H HA -0.131 4.423 4.556 -0.003 0.000 0.302 388 H C 2.279 177.521 175.328 -0.144 0.000 1.078 388 H CA 1.835 57.794 56.048 -0.150 0.000 1.323 388 H CB 0.338 30.008 29.762 -0.153 0.000 1.381 388 H HN 0.225 nan 8.280 nan 0.000 0.498 389 S N 0.870 116.443 115.700 -0.212 0.000 2.419 389 S HA -0.137 4.331 4.470 -0.004 0.000 0.233 389 S C 2.062 176.599 174.600 -0.106 0.000 1.016 389 S CA 0.933 59.011 58.200 -0.203 0.000 0.974 389 S CB -0.177 62.886 63.200 -0.228 0.000 0.786 389 S HN 0.520 nan 8.310 nan 0.000 0.492 390 Q N 0.314 120.061 119.800 -0.088 0.000 2.226 390 Q HA 0.009 4.347 4.340 -0.004 0.000 0.204 390 Q C 1.156 177.087 176.000 -0.113 0.000 0.975 390 Q CA 0.729 56.493 55.803 -0.066 0.000 0.866 390 Q CB -0.010 28.663 28.738 -0.108 0.000 0.915 390 Q HN 0.201 nan 8.270 nan 0.000 0.440 391 R N 0.596 121.002 120.500 -0.157 0.000 2.568 391 R HA 0.055 4.393 4.340 -0.004 0.000 0.288 391 R C -0.155 176.052 176.300 -0.154 0.000 1.077 391 R CA 0.049 56.063 56.100 -0.143 0.000 1.102 391 R CB 0.345 30.556 30.300 -0.147 0.000 1.278 391 R HN 0.198 nan 8.270 nan 0.000 0.560 392 Q N -1.833 117.883 119.800 -0.139 0.000 2.452 392 Q HA -0.148 4.190 4.340 -0.004 0.000 0.248 392 Q C 0.357 176.235 176.000 -0.203 0.000 0.874 392 Q CA 1.208 56.939 55.803 -0.120 0.000 1.208 392 Q CB -2.086 26.610 28.738 -0.070 0.000 1.569 392 Q HN 0.548 nan 8.270 nan 0.000 0.579 393 G N 0.590 109.133 108.800 -0.427 0.000 2.432 393 G HA2 0.281 4.239 3.960 -0.004 0.000 0.239 393 G HA3 0.281 4.239 3.960 -0.004 0.000 0.239 393 G C 0.003 174.713 174.900 -0.317 0.000 1.291 393 G CA -0.437 44.203 45.100 -0.766 0.000 0.863 393 G HN -0.006 nan 8.290 nan 0.000 0.560 394 K N 0.702 121.098 120.400 -0.007 0.000 2.098 394 K HA 0.463 4.781 4.320 -0.004 0.000 0.257 394 K C -0.142 176.601 176.600 0.238 0.000 0.999 394 K CA -0.336 56.019 56.287 0.112 0.000 0.924 394 K CB 1.536 34.085 32.500 0.082 0.000 1.028 394 K HN 0.298 nan 8.250 nan 0.000 0.466 395 L N 1.187 122.521 121.223 0.186 0.000 2.341 395 L HA 0.428 4.766 4.340 -0.004 0.000 0.267 395 L C -0.438 176.591 176.870 0.265 0.000 1.009 395 L CA -0.985 53.990 54.840 0.225 0.000 0.819 395 L CB 1.862 44.070 42.059 0.249 0.000 1.323 395 L HN 0.461 nan 8.230 nan 0.000 0.425 396 D N 0.035 120.590 120.400 0.258 0.000 2.433 396 D HA 0.216 4.854 4.640 -0.004 0.000 0.236 396 D C -1.364 175.093 176.300 0.261 0.000 1.026 396 D CA -0.273 53.867 54.000 0.234 0.000 0.884 396 D CB 2.757 43.624 40.800 0.111 0.000 1.384 396 D HN 0.428 nan 8.370 nan 0.000 0.477 397 W N 2.851 124.166 121.300 0.027 0.000 2.358 397 W HA 0.140 4.797 4.660 -0.006 0.000 0.307 397 W C -0.600 175.860 176.519 -0.098 0.000 1.203 397 W CA -0.367 56.879 57.345 -0.166 0.000 1.279 397 W CB 0.841 30.174 29.460 -0.211 0.000 1.264 397 W HN 0.259 nan 8.180 nan 0.000 0.474 398 D N 4.623 124.544 120.400 -0.797 0.000 2.316 398 D HA -0.010 4.628 4.640 -0.004 0.000 0.245 398 D C 1.227 177.023 176.300 -0.839 0.000 1.171 398 D CA 0.129 53.764 54.000 -0.609 0.000 0.856 398 D CB 1.386 41.916 40.800 -0.450 0.000 1.090 398 D HN 0.458 nan 8.370 nan 0.000 0.476 399 T N 0.143 114.406 114.554 -0.484 0.000 3.169 399 T HA 0.016 4.364 4.350 -0.004 0.000 0.250 399 T C 1.367 175.685 174.700 -0.636 0.000 1.111 399 T CA 0.250 62.090 62.100 -0.433 0.000 1.010 399 T CB 0.191 69.034 68.868 -0.041 0.000 0.984 399 T HN 0.232 nan 8.240 nan 0.000 0.537 400 T N 2.392 116.645 114.554 -0.501 0.000 2.983 400 T HA 0.271 4.619 4.350 -0.004 0.000 0.250 400 T C 1.670 176.145 174.700 -0.375 0.000 1.037 400 T CA 0.812 62.699 62.100 -0.355 0.000 1.142 400 T CB -0.139 68.609 68.868 -0.199 0.000 0.876 400 T HN 0.709 nan 8.240 nan 0.000 0.455 401 I N -2.006 118.345 120.570 -0.366 0.000 4.018 401 I HA 0.336 4.504 4.170 -0.004 0.000 0.337 401 I C -0.491 175.543 176.117 -0.137 0.000 1.327 401 I CA -0.348 60.852 61.300 -0.166 0.000 1.100 401 I CB -0.230 37.726 38.000 -0.073 0.000 1.025 401 I HN 0.153 nan 8.210 nan 0.000 0.396 402 H N 1.735 120.643 119.070 -0.270 0.000 2.702 402 H HA -0.053 4.501 4.556 -0.004 0.000 0.328 402 H C 0.009 175.007 175.328 -0.550 0.000 1.111 402 H CA 0.684 56.526 56.048 -0.344 0.000 1.109 402 H CB -1.311 28.580 29.762 0.215 0.000 1.606 402 H HN 0.760 nan 8.280 nan 0.000 0.399 403 A N 0.841 122.985 122.820 -1.127 0.000 2.601 403 A HA 0.622 4.940 4.320 -0.004 0.000 0.291 403 A C -0.919 176.261 177.584 -0.674 0.000 1.075 403 A CA -0.876 50.792 52.037 -0.615 0.000 0.671 403 A CB 1.079 20.041 19.000 -0.064 0.000 1.277 403 A HN 0.067 nan 8.150 nan 0.000 0.417 404 F N 0.797 120.763 119.950 0.025 0.000 2.427 404 F HA 0.478 5.002 4.527 -0.005 0.000 0.352 404 F C 0.818 176.625 175.800 0.012 0.000 1.100 404 F CA 0.276 58.348 58.000 0.121 0.000 1.191 404 F CB 1.592 40.749 39.000 0.261 0.000 1.128 404 F HN 0.545 nan 8.300 nan 0.000 0.533 405 V N 1.600 121.597 119.914 0.138 0.000 3.001 405 V HA 0.722 4.839 4.120 -0.004 0.000 0.314 405 V C -2.730 173.366 176.094 0.004 0.000 1.099 405 V CA -2.879 59.433 62.300 0.019 0.000 0.989 405 V CB 1.864 33.651 31.823 -0.060 0.000 1.040 405 V HN 0.470 nan 8.190 nan 0.000 0.434 406 P HA 0.388 nan 4.420 nan 0.000 0.274 406 P C -0.107 177.120 177.300 -0.122 0.000 1.231 406 P CA 0.202 63.143 63.100 -0.265 0.000 0.790 406 P CB 1.541 32.772 31.700 -0.781 0.000 0.951 407 A N 2.539 125.359 122.820 0.000 0.000 3.591 407 A HA 0.266 4.584 4.320 -0.004 0.000 0.163 407 A C -0.105 177.493 177.584 0.024 0.000 1.876 407 A CA 0.013 52.072 52.037 0.036 0.000 1.380 407 A CB -1.110 17.943 19.000 0.089 0.000 1.777 407 A HN 0.453 nan 8.150 nan 0.000 0.720 408 D N 0.791 121.226 120.400 0.059 0.000 2.488 408 D HA 0.435 5.073 4.640 -0.004 0.000 0.238 408 D C 0.365 176.730 176.300 0.109 0.000 1.138 408 D CA 1.103 55.131 54.000 0.046 0.000 0.873 408 D CB 0.589 41.409 40.800 0.033 0.000 1.183 408 D HN 0.675 nan 8.370 nan 0.000 0.458 409 A N 2.286 125.131 122.820 0.041 0.000 2.425 409 A HA 0.266 4.584 4.320 -0.004 0.000 0.242 409 A C 0.326 177.939 177.584 0.048 0.000 1.077 409 A CA -0.603 51.472 52.037 0.063 0.000 0.781 409 A CB 0.355 19.321 19.000 -0.056 0.000 1.020 409 A HN 0.420 nan 8.150 nan 0.000 0.494 410 V N 1.336 121.285 119.914 0.058 0.000 3.139 410 V HA 0.292 4.410 4.120 -0.004 0.000 0.307 410 V C 1.322 177.388 176.094 -0.047 0.000 1.095 410 V CA 0.144 62.429 62.300 -0.025 0.000 1.160 410 V CB 0.498 32.288 31.823 -0.057 0.000 1.003 410 V HN 1.201 nan 8.190 nan 0.000 0.489 411 A N 3.221 126.015 122.820 -0.043 0.000 2.565 411 A HA 0.168 4.486 4.320 -0.004 0.000 0.237 411 A C 0.930 178.486 177.584 -0.047 0.000 1.053 411 A CA 0.712 52.722 52.037 -0.044 0.000 0.755 411 A CB -1.009 17.977 19.000 -0.022 0.000 0.980 411 A HN 1.195 nan 8.150 nan 0.000 0.506 412 N N -0.197 118.462 118.700 -0.068 0.000 2.741 412 N HA -0.173 4.565 4.740 -0.004 0.000 0.250 412 N C -0.489 174.997 175.510 -0.040 0.000 1.115 412 N CA 1.259 54.290 53.050 -0.031 0.000 0.724 412 N CB -0.915 37.590 38.487 0.030 0.000 1.090 412 N HN 0.858 nan 8.380 nan 0.000 0.558 413 Q N -0.234 119.458 119.800 -0.180 0.000 2.423 413 Q HA 0.519 4.857 4.340 -0.004 0.000 0.278 413 Q C -1.131 174.653 176.000 -0.359 0.000 1.097 413 Q CA -0.644 55.097 55.803 -0.104 0.000 0.809 413 Q CB 1.855 30.576 28.738 -0.029 0.000 1.391 413 Q HN 0.271 nan 8.270 nan 0.000 0.428 414 H N -0.038 119.025 119.070 -0.011 0.000 2.768 414 H HA 0.572 5.127 4.556 -0.002 0.000 0.371 414 H C -1.020 174.282 175.328 -0.043 0.000 1.151 414 H CA -0.576 55.458 56.048 -0.023 0.000 1.165 414 H CB 1.406 31.154 29.762 -0.023 0.000 1.722 414 H HN 0.300 nan 8.280 nan 0.000 0.543 415 L N 1.548 122.798 121.223 0.045 0.000 2.341 415 L HA 0.881 5.219 4.340 -0.004 0.000 0.278 415 L C -0.328 176.526 176.870 -0.026 0.000 1.005 415 L CA -0.888 53.935 54.840 -0.028 0.000 0.818 415 L CB 1.652 43.653 42.059 -0.098 0.000 1.259 415 L HN 0.747 nan 8.230 nan 0.000 0.418 416 A N 1.883 124.676 122.820 -0.045 0.000 2.572 416 A HA 0.933 5.250 4.320 -0.004 0.000 0.295 416 A C -0.111 177.434 177.584 -0.065 0.000 1.072 416 A CA 0.028 52.036 52.037 -0.048 0.000 0.691 416 A CB 1.677 20.656 19.000 -0.035 0.000 1.291 416 A HN 1.091 nan 8.150 nan 0.000 0.404 417 G N -0.442 108.317 108.800 -0.068 0.000 2.660 417 G HA2 0.447 4.404 3.960 -0.004 0.000 0.215 417 G HA3 0.447 4.404 3.960 -0.004 0.000 0.215 417 G C 0.592 175.438 174.900 -0.091 0.000 1.345 417 G CA 0.112 45.165 45.100 -0.078 0.000 0.877 417 G HN 2.464 nan 8.290 nan 0.000 0.549 421 G N 1.964 110.713 108.800 -0.086 0.000 2.231 421 G HA2 -0.151 3.807 3.960 -0.004 0.000 0.206 421 G HA3 -0.151 3.807 3.960 -0.004 0.000 0.206 421 G C 0.008 174.852 174.900 -0.093 0.000 0.996 421 G CA -0.222 44.826 45.100 -0.087 0.000 0.645 421 G HN 0.745 nan 8.290 nan 0.000 0.498 422 R N 0.895 121.338 120.500 -0.095 0.000 2.220 422 R HA 0.500 4.838 4.340 -0.004 0.000 0.340 422 R C 1.018 177.248 176.300 -0.116 0.000 1.076 422 R CA -0.416 55.627 56.100 -0.096 0.000 0.920 422 R CB 0.417 30.666 30.300 -0.086 0.000 1.062 422 R HN 0.286 nan 8.270 nan 0.000 0.469 423 L N 2.278 123.421 121.223 -0.133 0.000 2.627 423 L HA 0.068 4.406 4.340 -0.004 0.000 0.232 423 L C 0.438 177.201 176.870 -0.179 0.000 1.150 423 L CA 0.044 54.768 54.840 -0.192 0.000 0.917 423 L CB -0.746 41.160 42.059 -0.255 0.000 1.104 423 L HN 0.586 nan 8.230 nan 0.000 0.445 424 D N -1.983 118.338 120.400 -0.133 0.000 2.228 424 D HA 0.124 4.762 4.640 -0.004 0.000 0.247 424 D C 0.569 176.797 176.300 -0.120 0.000 0.995 424 D CA -0.473 53.456 54.000 -0.119 0.000 0.903 424 D CB 1.718 42.461 40.800 -0.096 0.000 1.205 424 D HN -0.212 nan 8.370 nan 0.000 0.459 425 T N 0.964 115.446 114.554 -0.121 0.000 2.788 425 T HA -0.100 4.248 4.350 -0.004 0.000 0.268 425 T C 1.900 176.516 174.700 -0.140 0.000 1.044 425 T CA 1.813 63.833 62.100 -0.132 0.000 1.139 425 T CB -0.299 68.485 68.868 -0.141 0.000 0.867 425 T HN 0.649 nan 8.240 nan 0.000 0.454 426 A N 2.066 124.810 122.820 -0.126 0.000 1.883 426 A HA -0.152 4.166 4.320 -0.004 0.000 0.217 426 A C 2.617 180.138 177.584 -0.105 0.000 1.186 426 A CA 2.411 54.376 52.037 -0.120 0.000 0.624 426 A CB -1.011 17.929 19.000 -0.099 0.000 0.822 426 A HN 0.622 nan 8.150 nan 0.000 0.444 427 S N -0.064 115.580 115.700 -0.093 0.000 2.406 427 S HA 0.124 4.591 4.470 -0.004 0.000 0.228 427 S C 2.095 176.647 174.600 -0.080 0.000 1.020 427 S CA 1.228 59.380 58.200 -0.080 0.000 0.965 427 S CB -0.653 62.501 63.200 -0.077 0.000 0.798 427 S HN 0.924 nan 8.310 nan 0.000 0.488 428 A N 2.171 124.936 122.820 -0.092 0.000 1.908 428 A HA 0.094 4.412 4.320 -0.004 0.000 0.218 428 A C 2.320 179.860 177.584 -0.073 0.000 1.181 428 A CA 1.523 53.510 52.037 -0.083 0.000 0.627 428 A CB -0.862 18.082 19.000 -0.093 0.000 0.818 428 A HN 0.554 nan 8.150 nan 0.000 0.445 429 L N 0.148 121.312 121.223 -0.098 0.000 2.072 429 L HA -0.153 4.185 4.340 -0.004 0.000 0.205 429 L C 3.079 179.913 176.870 -0.060 0.000 1.079 429 L CA 1.548 56.331 54.840 -0.096 0.000 0.752 429 L CB -0.504 41.444 42.059 -0.185 0.000 0.906 429 L HN 0.615 nan 8.230 nan 0.000 0.436 430 S N -0.905 114.755 115.700 -0.066 0.000 2.368 430 S HA -0.183 4.285 4.470 -0.004 0.000 0.224 430 S C 2.079 176.657 174.600 -0.036 0.000 1.029 430 S CA 1.426 59.598 58.200 -0.048 0.000 0.988 430 S CB -1.000 62.169 63.200 -0.051 0.000 0.838 430 S HN 0.554 nan 8.310 nan 0.000 0.462 431 T N -0.796 113.734 114.554 -0.041 0.000 2.867 431 T HA 0.137 4.485 4.350 -0.004 0.000 0.268 431 T C 2.021 176.705 174.700 -0.028 0.000 1.057 431 T CA 1.141 63.221 62.100 -0.033 0.000 1.136 431 T CB -1.249 67.596 68.868 -0.040 0.000 0.874 431 T HN 0.474 nan 8.240 nan 0.000 0.466 432 G N 1.357 110.139 108.800 -0.029 0.000 2.421 432 G HA2 0.073 4.031 3.960 -0.004 0.000 0.216 432 G HA3 0.073 4.031 3.960 -0.004 0.000 0.216 432 G C 1.932 176.820 174.900 -0.021 0.000 1.171 432 G CA 0.825 45.911 45.100 -0.023 0.000 0.775 432 G HN 0.727 nan 8.290 nan 0.000 0.543 433 A N 1.196 124.010 122.820 -0.009 0.000 1.877 433 A HA 0.268 4.586 4.320 -0.004 0.000 0.216 433 A C 2.833 180.403 177.584 -0.023 0.000 1.186 433 A CA 2.331 54.364 52.037 -0.006 0.000 0.620 433 A CB -0.876 18.128 19.000 0.006 0.000 0.822 433 A HN 0.785 nan 8.150 nan 0.000 0.443 434 A N -0.130 122.677 122.820 -0.022 0.000 1.865 434 A HA -0.145 4.173 4.320 -0.004 0.000 0.217 434 A C 2.485 180.048 177.584 -0.036 0.000 1.191 434 A CA 2.846 54.871 52.037 -0.020 0.000 0.623 434 A CB -1.576 17.418 19.000 -0.011 0.000 0.826 434 A HN 0.800 nan 8.150 nan 0.000 0.444 435 T N -2.541 111.989 114.554 -0.040 0.000 2.788 435 T HA 0.020 4.368 4.350 -0.004 0.000 0.268 435 T C 1.880 176.453 174.700 -0.212 0.000 1.044 435 T CA 1.608 63.655 62.100 -0.087 0.000 1.139 435 T CB -0.926 67.932 68.868 -0.017 0.000 0.867 435 T HN 0.457 nan 8.240 nan 0.000 0.454 436 G N 1.334 110.054 108.800 -0.132 0.000 2.418 436 G HA2 0.074 4.032 3.960 -0.004 0.000 0.217 436 G HA3 0.074 4.032 3.960 -0.004 0.000 0.217 436 G C 1.918 176.743 174.900 -0.127 0.000 1.158 436 G CA 0.806 45.824 45.100 -0.135 0.000 0.771 436 G HN 0.732 nan 8.290 nan 0.000 0.545 437 A N 1.129 123.898 122.820 -0.085 0.000 1.898 437 A HA 0.319 4.637 4.320 -0.004 0.000 0.216 437 A C 2.811 180.358 177.584 -0.062 0.000 1.181 437 A CA 2.175 54.181 52.037 -0.053 0.000 0.620 437 A CB -0.776 18.208 19.000 -0.027 0.000 0.819 437 A HN 0.754 nan 8.150 nan 0.000 0.442 438 A N -0.091 122.675 122.820 -0.091 0.000 1.902 438 A HA 0.166 4.484 4.320 -0.004 0.000 0.217 438 A C 2.505 180.004 177.584 -0.141 0.000 1.181 438 A CA 2.096 54.092 52.037 -0.068 0.000 0.623 438 A CB -1.011 17.988 19.000 -0.003 0.000 0.818 438 A HN 1.016 nan 8.150 nan 0.000 0.443 439 A N -0.092 122.481 122.820 -0.412 0.000 1.877 439 A HA 0.155 4.473 4.320 -0.004 0.000 0.216 439 A C 2.526 180.059 177.584 -0.085 0.000 1.186 439 A CA 2.175 53.981 52.037 -0.385 0.000 0.620 439 A CB -1.091 17.616 19.000 -0.487 0.000 0.822 439 A HN 1.084 nan 8.150 nan 0.000 0.443 440 A N -1.139 121.642 122.820 -0.065 0.000 1.933 440 A HA -0.073 4.245 4.320 -0.004 0.000 0.218 440 A C 2.286 179.943 177.584 0.122 0.000 1.175 440 A CA 2.278 54.336 52.037 0.034 0.000 0.628 440 A CB -1.189 17.815 19.000 0.007 0.000 0.814 440 A HN 0.439 nan 8.150 nan 0.000 0.444 441 T N 0.153 114.746 114.554 0.064 0.000 2.777 441 T HA 0.040 4.388 4.350 -0.004 0.000 0.266 441 T C 2.148 176.890 174.700 0.069 0.000 1.040 441 T CA 1.383 63.523 62.100 0.067 0.000 1.141 441 T CB -0.347 68.544 68.868 0.037 0.000 0.868 441 T HN 0.571 nan 8.240 nan 0.000 0.444 442 A N 1.037 123.902 122.820 0.075 0.000 2.067 442 A HA 0.358 4.676 4.320 -0.004 0.000 0.219 442 A C 2.361 180.004 177.584 0.098 0.000 1.158 442 A CA 1.310 53.400 52.037 0.088 0.000 0.661 442 A CB -0.599 18.479 19.000 0.129 0.000 0.801 442 A HN 0.479 nan 8.150 nan 0.000 0.452 443 A N -1.860 121.040 122.820 0.134 0.000 2.208 443 A HA 0.426 4.743 4.320 -0.004 0.000 0.209 443 A C 1.627 179.335 177.584 0.206 0.000 1.161 443 A CA 1.181 53.332 52.037 0.190 0.000 0.782 443 A CB -0.589 18.548 19.000 0.228 0.000 0.816 443 A HN 1.748 nan 8.150 nan 0.000 0.477 444 G N -2.296 106.558 108.800 0.090 0.000 2.154 444 G HA2 -0.173 3.785 3.960 -0.004 0.000 0.186 444 G HA3 -0.173 3.785 3.960 -0.004 0.000 0.186 444 G C -0.135 174.485 174.900 -0.466 0.000 1.000 444 G CA -0.076 44.925 45.100 -0.166 0.000 0.664 444 G HN 0.417 nan 8.290 nan 0.000 0.513 445 F N 1.593 121.543 119.950 -0.000 0.000 2.550 445 F HA 0.687 5.212 4.527 -0.004 0.000 0.348 445 F C 0.834 176.629 175.800 -0.010 0.000 1.219 445 F CA -0.576 57.421 58.000 -0.005 0.000 1.203 445 F CB 1.088 40.083 39.000 -0.008 0.000 1.436 445 F HN 0.372 nan 8.300 nan 0.000 0.541 446 A N 1.515 124.373 122.820 0.063 0.000 2.565 446 A HA 0.447 4.765 4.320 -0.004 0.000 0.237 446 A C 0.485 178.103 177.584 0.057 0.000 1.053 446 A CA 0.745 52.809 52.037 0.045 0.000 0.755 446 A CB 0.254 19.259 19.000 0.009 0.000 0.980 446 A HN 0.568 nan 8.150 nan 0.000 0.506 447 T N 1.082 115.661 114.554 0.042 0.000 2.830 447 T HA 0.473 4.821 4.350 -0.004 0.000 0.322 447 T C -1.261 173.448 174.700 0.016 0.000 1.501 447 T CA -0.384 61.735 62.100 0.032 0.000 1.036 447 T CB 1.007 69.897 68.868 0.036 0.000 1.379 447 T HN 0.813 nan 8.240 nan 0.000 0.493 448 V N 2.985 122.906 119.914 0.011 0.000 2.483 448 V HA 0.780 4.898 4.120 -0.004 0.000 0.295 448 V C 0.824 176.919 176.094 0.003 0.000 1.035 448 V CA -0.797 61.506 62.300 0.006 0.000 0.896 448 V CB 1.289 33.116 31.823 0.005 0.000 0.986 448 V HN 1.162 nan 8.190 nan 0.000 0.447 449 A N 4.851 127.670 122.820 -0.001 0.000 2.450 449 A HA 0.594 4.912 4.320 -0.004 0.000 0.255 449 A C 0.143 177.729 177.584 0.004 0.000 1.096 449 A CA -0.186 51.850 52.037 -0.001 0.000 0.778 449 A CB -0.068 18.928 19.000 -0.006 0.000 1.031 449 A HN 0.782 nan 8.150 nan 0.000 0.494 450 R N 1.766 122.272 120.500 0.010 0.000 2.215 450 R HA 0.417 4.755 4.340 -0.004 0.000 0.336 450 R C -0.528 175.787 176.300 0.026 0.000 0.996 450 R CA 0.082 56.192 56.100 0.018 0.000 0.847 450 R CB 1.110 31.425 30.300 0.025 0.000 1.127 450 R HN 0.664 nan 8.270 nan 0.000 0.465 451 T N 6.185 120.747 114.554 0.012 0.000 2.749 451 T HA 0.280 4.628 4.350 -0.004 0.000 0.295 451 T C -2.182 172.516 174.700 -0.004 0.000 0.936 451 T CA -1.386 60.715 62.100 0.002 0.000 1.060 451 T CB 0.999 69.856 68.868 -0.018 0.000 0.904 451 T HN 0.241 nan 8.240 nan 0.000 0.500 452 P HA 0.150 nan 4.420 nan 0.000 0.271 452 P C -0.162 177.051 177.300 -0.144 0.000 1.216 452 P CA -0.387 62.675 63.100 -0.063 0.000 0.771 452 P CB 0.501 32.124 31.700 -0.128 0.000 0.864 453 Q N 1.499 121.212 119.800 -0.144 0.000 2.235 453 Q HA 0.716 5.054 4.340 -0.004 0.000 0.250 453 Q C -0.426 175.462 176.000 -0.186 0.000 0.909 453 Q CA -0.312 55.410 55.803 -0.136 0.000 0.910 453 Q CB 2.168 30.854 28.738 -0.088 0.000 1.223 453 Q HN 0.516 nan 8.270 nan 0.000 0.432 454 A N 1.870 124.595 122.820 -0.158 0.000 2.604 454 A HA 0.534 4.851 4.320 -0.004 0.000 0.295 454 A C -1.363 176.152 177.584 -0.114 0.000 1.067 454 A CA -0.730 51.212 52.037 -0.160 0.000 0.683 454 A CB 0.823 19.702 19.000 -0.201 0.000 1.281 454 A HN 0.506 nan 8.150 nan 0.000 0.407 455 L N 1.764 122.928 121.223 -0.099 0.000 2.485 455 L HA 0.206 4.544 4.340 -0.004 0.000 0.275 455 L C 1.197 178.022 176.870 -0.075 0.000 1.207 455 L CA 0.603 55.397 54.840 -0.076 0.000 0.855 455 L CB 0.102 42.122 42.059 -0.066 0.000 1.114 455 L HN 0.837 nan 8.230 nan 0.000 0.485 456 E N 1.053 121.214 120.200 -0.064 0.000 2.383 456 E HA 0.203 4.551 4.350 -0.004 0.000 0.264 456 E C -0.852 175.714 176.600 -0.057 0.000 1.050 456 E CA -0.600 55.764 56.400 -0.061 0.000 0.896 456 E CB 0.625 30.294 29.700 -0.052 0.000 0.982 456 E HN 0.516 nan 8.360 nan 0.000 0.424 457 T N 1.891 116.410 114.554 -0.057 0.000 2.795 457 T HA 0.452 4.799 4.350 -0.004 0.000 0.282 457 T C -0.239 174.435 174.700 -0.043 0.000 0.980 457 T CA -0.328 61.741 62.100 -0.051 0.000 1.012 457 T CB 1.280 70.114 68.868 -0.057 0.000 0.936 457 T HN 0.667 nan 8.240 nan 0.000 0.457 458 A N 3.553 126.351 122.820 -0.037 0.000 2.546 458 A HA 0.338 4.655 4.320 -0.004 0.000 0.243 458 A C 0.266 177.833 177.584 -0.029 0.000 1.063 458 A CA -0.373 51.645 52.037 -0.033 0.000 0.757 458 A CB -0.235 18.745 19.000 -0.032 0.000 0.991 458 A HN 0.724 nan 8.150 nan 0.000 0.503 459 L N 2.611 123.817 121.223 -0.029 0.000 2.499 459 L HA 0.379 4.717 4.340 -0.004 0.000 0.273 459 L C 1.013 177.874 176.870 -0.015 0.000 1.195 459 L CA 1.552 56.377 54.840 -0.025 0.000 0.882 459 L CB 0.524 42.567 42.059 -0.027 0.000 1.133 459 L HN 0.791 nan 8.230 nan 0.000 0.483 460 G N 2.865 111.662 108.800 -0.005 0.000 2.481 460 G HA2 0.541 4.499 3.960 -0.004 0.000 0.315 460 G HA3 0.541 4.499 3.960 -0.004 0.000 0.315 460 G C -1.104 173.809 174.900 0.022 0.000 1.231 460 G CA -0.511 44.597 45.100 0.013 0.000 0.968 460 G HN 0.620 nan 8.290 nan 0.000 0.482 461 E N -0.323 119.898 120.200 0.034 0.000 2.283 461 E HA 0.585 4.933 4.350 -0.004 0.000 0.271 461 E C -0.928 175.716 176.600 0.072 0.000 1.031 461 E CA -0.402 56.026 56.400 0.047 0.000 0.868 461 E CB 1.332 31.058 29.700 0.043 0.000 1.094 461 E HN 0.205 nan 8.360 nan 0.000 0.401 462 T N 3.281 117.898 114.554 0.106 0.000 2.841 462 T HA 0.309 4.656 4.350 -0.004 0.000 0.285 462 T C -0.660 174.124 174.700 0.139 0.000 0.991 462 T CA -0.666 61.512 62.100 0.131 0.000 0.966 462 T CB 1.111 70.083 68.868 0.174 0.000 0.962 462 T HN 0.460 nan 8.240 nan 0.000 0.438 463 R N 4.210 124.709 120.500 -0.002 0.000 2.265 463 R HA 0.412 4.750 4.340 -0.004 0.000 0.319 463 R C -2.544 173.557 176.300 -0.332 0.000 1.006 463 R CA -2.033 53.985 56.100 -0.136 0.000 0.880 463 R CB 0.818 31.054 30.300 -0.106 0.000 1.077 463 R HN 0.309 nan 8.270 nan 0.000 0.454 464 P HA 0.092 nan 4.420 nan 0.000 0.282 464 P C -1.017 175.770 177.300 -0.856 0.000 1.262 464 P CA -0.247 62.296 63.100 -0.928 0.000 0.773 464 P CB 1.433 32.580 31.700 -0.921 0.000 0.879 465 V N 4.941 124.300 119.914 -0.924 0.000 2.385 465 V HA 0.195 4.312 4.120 -0.004 0.000 0.277 465 V C 0.348 176.217 176.094 -0.376 0.000 1.012 465 V CA -0.184 61.830 62.300 -0.477 0.000 0.832 465 V CB 0.744 32.437 31.823 -0.216 0.000 1.028 465 V HN 0.645 nan 8.190 nan 0.000 0.436 466 W N 3.502 124.849 121.300 0.079 0.000 2.872 466 W HA 0.477 5.136 4.660 -0.002 0.000 0.266 466 W C 0.489 177.075 176.519 0.111 0.000 1.276 466 W CA -0.220 57.179 57.345 0.091 0.000 1.471 466 W CB 0.921 30.414 29.460 0.055 0.000 1.071 466 W HN 0.361 nan 8.180 nan 0.000 0.619 467 L N 0.989 122.392 121.223 0.300 0.000 2.680 467 L HA 0.303 4.641 4.340 -0.004 0.000 0.260 467 L C -0.841 176.191 176.870 0.270 0.000 0.975 467 L CA -0.602 54.405 54.840 0.278 0.000 0.920 467 L CB 0.952 43.124 42.059 0.188 0.000 1.234 467 L HN -0.395 nan 8.230 nan 0.000 0.429 468 V N 5.831 125.950 119.914 0.342 0.000 2.470 468 V HA 0.219 4.336 4.120 -0.004 0.000 0.276 468 V C -1.839 174.522 176.094 0.445 0.000 1.040 468 V CA -1.067 61.420 62.300 0.312 0.000 1.008 468 V CB 0.751 32.746 31.823 0.287 0.000 0.990 468 V HN 0.583 nan 8.190 nan 0.000 0.477 469 P HA 0.080 nan 4.420 nan 0.000 0.270 469 P C -0.203 177.288 177.300 0.318 0.000 1.223 469 P CA 0.069 63.392 63.100 0.372 0.000 0.785 469 P CB 0.491 32.326 31.700 0.226 0.000 0.923 470 S N 0.432 116.221 115.700 0.148 0.000 2.562 470 S HA 0.156 4.623 4.470 -0.004 0.000 0.275 470 S C 1.240 175.860 174.600 0.034 0.000 1.281 470 S CA -0.629 57.563 58.200 -0.012 0.000 1.045 470 S CB 0.164 63.115 63.200 -0.414 0.000 0.962 470 S HN 0.315 nan 8.310 nan 0.000 0.503 471 V N 3.088 123.027 119.914 0.041 0.000 3.041 471 V HA 0.064 4.182 4.120 -0.004 0.000 0.260 471 V C 1.666 177.773 176.094 0.021 0.000 1.105 471 V CA 1.657 63.979 62.300 0.037 0.000 1.125 471 V CB -0.769 31.074 31.823 0.035 0.000 0.730 471 V HN 0.737 nan 8.190 nan 0.000 0.479 472 S N 0.564 116.265 115.700 0.001 0.000 2.489 472 S HA 0.493 4.961 4.470 -0.004 0.000 0.228 472 S C 0.992 175.593 174.600 0.002 0.000 0.995 472 S CA 0.873 59.072 58.200 -0.002 0.000 0.934 472 S CB -0.166 63.027 63.200 -0.011 0.000 0.771 472 S HN 1.364 nan 8.310 nan 0.000 0.522 473 G N 0.581 109.385 108.800 0.007 0.000 2.357 473 G HA2 0.110 4.068 3.960 -0.004 0.000 0.289 473 G HA3 0.110 4.068 3.960 -0.004 0.000 0.289 473 G C -1.495 173.466 174.900 0.102 0.000 1.302 473 G CA -0.634 44.492 45.100 0.042 0.000 0.936 473 G HN 0.053 nan 8.290 nan 0.000 0.513 474 D N 0.222 120.700 120.400 0.131 0.000 2.402 474 D HA 0.253 4.891 4.640 -0.004 0.000 0.216 474 D C -0.142 176.271 176.300 0.187 0.000 1.128 474 D CA -0.137 53.988 54.000 0.208 0.000 0.833 474 D CB 0.322 41.185 40.800 0.106 0.000 0.971 474 D HN 0.286 nan 8.370 nan 0.000 0.503 475 D N -0.093 120.400 120.400 0.154 0.000 2.313 475 D HA 0.170 4.808 4.640 -0.004 0.000 0.247 475 D C 1.295 177.702 176.300 0.178 0.000 1.094 475 D CA -0.177 53.886 54.000 0.104 0.000 0.925 475 D CB 1.566 42.398 40.800 0.054 0.000 1.188 475 D HN 0.028 nan 8.370 nan 0.000 0.430 476 A N 1.724 124.599 122.820 0.093 0.000 1.948 476 A HA -0.178 4.140 4.320 -0.004 0.000 0.220 476 A C 2.123 179.766 177.584 0.100 0.000 1.177 476 A CA 1.359 53.451 52.037 0.091 0.000 0.636 476 A CB -0.699 18.299 19.000 -0.004 0.000 0.815 476 A HN 0.443 nan 8.150 nan 0.000 0.449 477 V N 0.900 120.837 119.914 0.037 0.000 2.469 477 V HA -0.299 3.819 4.120 -0.004 0.000 0.251 477 V C 1.625 177.690 176.094 -0.049 0.000 1.064 477 V CA 2.651 64.941 62.300 -0.017 0.000 1.066 477 V CB -0.950 30.866 31.823 -0.013 0.000 0.667 477 V HN 0.747 nan 8.190 nan 0.000 0.461 478 N N -1.573 117.098 118.700 -0.049 0.000 2.521 478 N HA -0.005 4.733 4.740 -0.004 0.000 0.188 478 N C 0.318 175.523 175.510 -0.508 0.000 1.146 478 N CA 0.625 53.541 53.050 -0.222 0.000 0.893 478 N CB -0.008 38.313 38.487 -0.276 0.000 0.975 478 N HN 0.649 nan 8.380 nan 0.000 0.451 479 Y N -0.256 119.957 120.300 -0.145 0.000 2.696 479 Y HA 0.292 4.840 4.550 -0.003 0.000 0.260 479 Y C 0.927 176.699 175.900 -0.213 0.000 1.165 479 Y CA -0.379 57.573 58.100 -0.247 0.000 1.189 479 Y CB 0.465 38.701 38.460 -0.375 0.000 1.180 479 Y HN -0.116 nan 8.280 nan 0.000 0.538 480 K N -0.369 119.881 120.400 -0.250 0.000 2.486 480 K HA 0.050 4.368 4.320 -0.004 0.000 0.194 480 K C -0.103 175.989 176.600 -0.847 0.000 1.033 480 K CA 0.914 56.876 56.287 -0.542 0.000 1.004 480 K CB 0.083 32.171 32.500 -0.686 0.000 0.798 480 K HN 0.255 nan 8.250 nan 0.000 0.495 481 F N -1.003 118.848 119.950 -0.165 0.000 2.724 481 F HA 0.165 4.690 4.527 -0.003 0.000 0.310 481 F C -0.144 175.462 175.800 -0.323 0.000 1.107 481 F CA -0.640 57.181 58.000 -0.299 0.000 1.218 481 F CB 0.176 39.164 39.000 -0.019 0.000 1.042 481 F HN -0.102 nan 8.300 nan 0.000 0.540 482 H N 0.362 119.285 119.070 -0.243 0.000 3.014 482 H HA 0.234 4.788 4.556 -0.004 0.000 0.266 482 H C -0.470 174.724 175.328 -0.223 0.000 1.455 482 H CA -0.684 55.303 56.048 -0.102 0.000 1.402 482 H CB -0.497 29.316 29.762 0.085 0.000 1.626 482 H HN -0.094 nan 8.280 nan 0.000 0.520 483 F N 1.746 121.719 119.950 0.038 0.000 2.495 483 F HA 0.011 4.536 4.527 -0.004 0.000 0.365 483 F C 1.206 177.011 175.800 0.008 0.000 1.090 483 F CA -0.022 57.983 58.000 0.009 0.000 1.235 483 F CB 0.758 39.726 39.000 -0.055 0.000 1.119 483 F HN 0.281 nan 8.300 nan 0.000 0.562 484 V N 0.313 120.336 119.914 0.181 0.000 2.908 484 V HA 0.031 4.149 4.120 -0.004 0.000 0.240 484 V C 0.098 176.264 176.094 0.119 0.000 1.117 484 V CA 0.793 63.174 62.300 0.134 0.000 1.133 484 V CB 0.084 31.966 31.823 0.099 0.000 0.857 484 V HN 0.671 nan 8.190 nan 0.000 0.478 485 D N 0.042 120.521 120.400 0.133 0.000 2.440 485 D HA 0.307 4.945 4.640 -0.004 0.000 0.252 485 D C 0.813 177.161 176.300 0.079 0.000 1.180 485 D CA -0.164 53.888 54.000 0.086 0.000 0.894 485 D CB 1.609 42.458 40.800 0.082 0.000 1.111 485 D HN 0.055 nan 8.370 nan 0.000 0.544 486 L N 2.456 123.654 121.223 -0.042 0.000 1.989 486 L HA -0.211 4.127 4.340 -0.004 0.000 0.211 486 L C 2.548 179.340 176.870 -0.130 0.000 1.071 486 L CA 1.339 56.076 54.840 -0.173 0.000 0.749 486 L CB -0.271 41.568 42.059 -0.367 0.000 0.890 486 L HN 0.487 nan 8.230 nan 0.000 0.431 487 Q N -0.353 119.392 119.800 -0.093 0.000 2.170 487 Q HA -0.180 4.158 4.340 -0.004 0.000 0.203 487 Q C 2.113 178.101 176.000 -0.021 0.000 0.976 487 Q CA 1.228 56.987 55.803 -0.073 0.000 0.858 487 Q CB 0.197 28.903 28.738 -0.054 0.000 0.907 487 Q HN 0.283 nan 8.270 nan 0.000 0.433 488 R N 0.327 120.860 120.500 0.056 0.000 2.297 488 R HA 0.009 4.346 4.340 -0.004 0.000 0.197 488 R C -0.166 176.293 176.300 0.265 0.000 0.943 488 R CA 0.416 56.615 56.100 0.166 0.000 1.038 488 R CB 0.018 30.405 30.300 0.145 0.000 0.957 488 R HN 0.264 nan 8.270 nan 0.000 0.484 489 D N 1.335 121.864 120.400 0.214 0.000 2.800 489 D HA -0.140 4.498 4.640 -0.004 0.000 0.232 489 D C -0.605 175.921 176.300 0.376 0.000 1.137 489 D CA 0.969 55.180 54.000 0.352 0.000 0.718 489 D CB -0.452 40.568 40.800 0.367 0.000 1.084 489 D HN 0.143 nan 8.370 nan 0.000 0.432 490 Q N -0.078 119.892 119.800 0.284 0.000 2.256 490 Q HA 0.553 4.891 4.340 -0.004 0.000 0.257 490 Q C 0.913 176.967 176.000 0.091 0.000 0.936 490 Q CA -0.167 55.725 55.803 0.148 0.000 0.903 490 Q CB 1.896 30.697 28.738 0.106 0.000 1.263 490 Q HN 0.393 nan 8.270 nan 0.000 0.440 491 T N -3.237 111.284 114.554 -0.056 0.000 2.883 491 T HA 0.432 4.780 4.350 -0.004 0.000 0.284 491 T C 1.212 175.876 174.700 -0.060 0.000 1.041 491 T CA -0.699 61.309 62.100 -0.154 0.000 1.007 491 T CB 0.545 69.182 68.868 -0.385 0.000 1.220 491 T HN 0.138 nan 8.240 nan 0.000 0.552 492 V N 1.233 121.133 119.914 -0.024 0.000 2.392 492 V HA -0.117 4.000 4.120 -0.004 0.000 0.249 492 V C 3.177 179.226 176.094 -0.075 0.000 1.059 492 V CA 2.460 64.741 62.300 -0.032 0.000 1.051 492 V CB -1.631 30.176 31.823 -0.026 0.000 0.658 492 V HN 1.050 nan 8.190 nan 0.000 0.455 493 A N -0.229 122.554 122.820 -0.062 0.000 1.940 493 A HA -0.274 4.043 4.320 -0.004 0.000 0.219 493 A C 2.021 179.569 177.584 -0.061 0.000 1.176 493 A CA 2.079 54.076 52.037 -0.066 0.000 0.631 493 A CB -0.547 18.400 19.000 -0.088 0.000 0.814 493 A HN 0.586 nan 8.150 nan 0.000 0.446 494 D N -0.349 120.021 120.400 -0.050 0.000 2.144 494 D HA -0.076 4.562 4.640 -0.004 0.000 0.200 494 D C 2.052 178.356 176.300 0.007 0.000 0.978 494 D CA 1.403 55.403 54.000 -0.001 0.000 0.833 494 D CB -0.249 40.557 40.800 0.011 0.000 0.961 494 D HN 0.263 nan 8.370 nan 0.000 0.470 495 V N 1.456 121.352 119.914 -0.029 0.000 2.427 495 V HA -0.183 3.935 4.120 -0.004 0.000 0.248 495 V C 2.635 178.665 176.094 -0.107 0.000 1.051 495 V CA 0.946 63.212 62.300 -0.056 0.000 1.048 495 V CB -0.389 31.402 31.823 -0.054 0.000 0.666 495 V HN 0.177 nan 8.190 nan 0.000 0.456 496 L N -0.380 120.777 121.223 -0.110 0.000 2.093 496 L HA -0.156 4.181 4.340 -0.004 0.000 0.208 496 L C 2.726 179.519 176.870 -0.129 0.000 1.085 496 L CA 1.603 56.366 54.840 -0.129 0.000 0.755 496 L CB -0.579 41.400 42.059 -0.134 0.000 0.904 496 L HN 0.253 nan 8.230 nan 0.000 0.435 497 R N 0.287 120.730 120.500 -0.096 0.000 2.092 497 R HA -0.158 4.180 4.340 -0.004 0.000 0.231 497 R C 2.297 178.431 176.300 -0.278 0.000 1.119 497 R CA 1.330 57.381 56.100 -0.081 0.000 0.970 497 R CB -0.133 30.203 30.300 0.059 0.000 0.864 497 R HN 0.341 nan 8.270 nan 0.000 0.440 498 A N 0.262 122.812 122.820 -0.449 0.000 1.873 498 A HA -0.151 4.167 4.320 -0.004 0.000 0.215 498 A C 2.207 179.484 177.584 -0.513 0.000 1.186 498 A CA 2.008 53.483 52.037 -0.937 0.000 0.616 498 A CB -0.982 17.619 19.000 -0.664 0.000 0.823 498 A HN 0.606 nan 8.150 nan 0.000 0.442 499 T N -2.492 111.887 114.554 -0.293 0.000 2.821 499 T HA 0.013 4.361 4.350 -0.004 0.000 0.267 499 T C 1.900 176.494 174.700 -0.177 0.000 1.046 499 T CA 1.509 63.491 62.100 -0.198 0.000 1.139 499 T CB -0.951 67.831 68.868 -0.145 0.000 0.871 499 T HN 0.433 nan 8.240 nan 0.000 0.454 500 G N 1.264 109.960 108.800 -0.174 0.000 2.432 500 G HA2 0.075 4.033 3.960 -0.004 0.000 0.219 500 G HA3 0.075 4.033 3.960 -0.004 0.000 0.219 500 G C 1.775 176.597 174.900 -0.130 0.000 1.135 500 G CA 0.592 45.615 45.100 -0.129 0.000 0.767 500 G HN 0.756 nan 8.290 nan 0.000 0.550 501 A N -0.392 122.312 122.820 -0.193 0.000 2.168 501 A HA 0.499 4.816 4.320 -0.004 0.000 0.215 501 A C 1.487 178.989 177.584 -0.136 0.000 1.152 501 A CA 1.532 53.472 52.037 -0.161 0.000 0.716 501 A CB -0.530 18.329 19.000 -0.236 0.000 0.794 501 A HN 1.791 nan 8.150 nan 0.000 0.465 505 S N 1.476 117.170 115.700 -0.010 0.000 2.549 505 S HA 0.075 4.543 4.470 -0.004 0.000 0.283 505 S C 1.248 175.806 174.600 -0.070 0.000 1.320 505 S CA -0.170 57.972 58.200 -0.097 0.000 1.058 505 S CB 1.483 64.516 63.200 -0.278 0.000 0.882 505 S HN 0.167 nan 8.310 nan 0.000 0.498 506 V N 4.724 124.585 119.914 -0.089 0.000 2.594 506 V HA -0.062 4.056 4.120 -0.004 0.000 0.253 506 V C 2.096 178.151 176.094 -0.065 0.000 1.069 506 V CA 2.040 64.294 62.300 -0.076 0.000 1.082 506 V CB -0.663 31.101 31.823 -0.097 0.000 0.680 506 V HN 0.902 nan 8.190 nan 0.000 0.469 507 E N -0.546 119.594 120.200 -0.101 0.000 2.106 507 E HA -0.189 4.159 4.350 -0.004 0.000 0.192 507 E C 1.968 178.575 176.600 0.011 0.000 0.984 507 E CA 1.718 58.068 56.400 -0.085 0.000 0.806 507 E CB -0.388 29.224 29.700 -0.147 0.000 0.750 507 E HN 0.827 nan 8.360 nan 0.000 0.458 508 H N 0.008 119.064 119.070 -0.023 0.000 2.333 508 H HA -0.022 4.533 4.556 -0.002 0.000 0.302 508 H C 2.095 177.433 175.328 0.017 0.000 1.075 508 H CA 0.565 56.612 56.048 -0.002 0.000 1.348 508 H CB 0.272 30.020 29.762 -0.025 0.000 1.393 508 H HN 0.040 nan 8.280 nan 0.000 0.509 509 I N 1.430 122.067 120.570 0.112 0.000 2.226 509 I HA -0.265 3.902 4.170 -0.004 0.000 0.245 509 I C 2.399 178.564 176.117 0.079 0.000 1.100 509 I CA 1.354 62.686 61.300 0.053 0.000 1.374 509 I CB -0.906 37.090 38.000 -0.008 0.000 1.057 509 I HN 0.291 nan 8.210 nan 0.000 0.413 510 K N 1.464 121.894 120.400 0.050 0.000 2.009 510 K HA -0.188 4.130 4.320 -0.004 0.000 0.210 510 K C 2.306 178.942 176.600 0.061 0.000 1.049 510 K CA 1.633 57.942 56.287 0.036 0.000 0.929 510 K CB -0.077 32.421 32.500 -0.004 0.000 0.714 510 K HN 0.200 nan 8.250 nan 0.000 0.440 511 R N -0.964 119.585 120.500 0.081 0.000 2.115 511 R HA -0.128 4.210 4.340 -0.004 0.000 0.226 511 R C 2.349 178.698 176.300 0.082 0.000 1.100 511 R CA 1.450 57.594 56.100 0.074 0.000 0.980 511 R CB -0.378 29.972 30.300 0.084 0.000 0.875 511 R HN 0.357 nan 8.270 nan 0.000 0.445 512 Y N 1.313 121.609 120.300 -0.007 0.000 2.200 512 Y HA -0.215 4.333 4.550 -0.004 0.000 0.290 512 Y C 2.572 178.451 175.900 -0.036 0.000 1.137 512 Y CA 1.926 60.008 58.100 -0.031 0.000 1.163 512 Y CB 0.052 38.489 38.460 -0.038 0.000 0.988 512 Y HN 0.084 nan 8.280 nan 0.000 0.518 513 T N -3.574 111.102 114.554 0.203 0.000 3.051 513 T HA 0.072 4.420 4.350 -0.004 0.000 0.255 513 T C 1.192 175.914 174.700 0.036 0.000 1.085 513 T CA 0.733 62.900 62.100 0.110 0.000 1.109 513 T CB -0.433 68.508 68.868 0.122 0.000 0.921 513 T HN 0.629 nan 8.240 nan 0.000 0.488 514 S N -0.029 115.693 115.700 0.038 0.000 3.091 514 S HA -0.155 4.313 4.470 -0.004 0.000 0.275 514 S C 0.070 174.698 174.600 0.046 0.000 1.306 514 S CA 0.264 58.483 58.200 0.031 0.000 1.083 514 S CB -2.965 60.247 63.200 0.020 0.000 1.313 514 S HN 0.709 nan 8.310 nan 0.000 0.673 515 I N 2.171 122.771 120.570 0.050 0.000 2.775 515 I HA 0.234 4.402 4.170 -0.004 0.000 0.290 515 I C 1.544 177.679 176.117 0.031 0.000 1.203 515 I CA 1.412 62.741 61.300 0.048 0.000 1.433 515 I CB 0.723 38.750 38.000 0.045 0.000 1.354 515 I HN 0.772 nan 8.210 nan 0.000 0.579 516 S N 2.860 118.580 115.700 0.034 0.000 3.171 516 S HA -0.173 4.295 4.470 -0.004 0.000 0.279 516 S C 1.060 175.670 174.600 0.017 0.000 1.294 516 S CA 1.307 59.519 58.200 0.021 0.000 1.077 516 S CB -1.262 61.931 63.200 -0.011 0.000 1.298 516 S HN 0.981 nan 8.310 nan 0.000 0.666 517 T N -1.309 113.261 114.554 0.027 0.000 3.069 517 T HA 0.730 5.077 4.350 -0.004 0.000 0.252 517 T C 0.887 175.605 174.700 0.031 0.000 1.053 517 T CA 0.786 62.902 62.100 0.027 0.000 0.964 517 T CB 0.423 69.309 68.868 0.030 0.000 1.005 517 T HN 1.070 nan 8.240 nan 0.000 0.532 518 A N 2.778 125.616 122.820 0.031 0.000 2.325 518 A HA 0.331 4.649 4.320 -0.004 0.000 0.260 518 A C 1.414 179.004 177.584 0.009 0.000 1.133 518 A CA 0.098 52.147 52.037 0.019 0.000 0.801 518 A CB -0.293 18.714 19.000 0.012 0.000 1.092 518 A HN 0.668 nan 8.150 nan 0.000 0.504 519 N N -1.165 117.531 118.700 -0.005 0.000 2.571 519 N HA -0.118 4.620 4.740 -0.004 0.000 0.189 519 N C 0.261 175.760 175.510 -0.019 0.000 1.154 519 N CA 1.030 54.073 53.050 -0.012 0.000 0.907 519 N CB -0.023 38.451 38.487 -0.022 0.000 0.977 519 N HN 0.635 nan 8.380 nan 0.000 0.449 520 D N -0.679 119.714 120.400 -0.011 0.000 2.369 520 D HA -0.072 4.566 4.640 -0.004 0.000 0.211 520 D C -0.127 176.184 176.300 0.017 0.000 1.077 520 D CA -0.051 53.940 54.000 -0.015 0.000 0.842 520 D CB -0.231 40.565 40.800 -0.006 0.000 0.947 520 D HN 0.024 nan 8.370 nan 0.000 0.509 521 Q N 0.508 120.327 119.800 0.030 0.000 2.423 521 Q HA -0.178 4.160 4.340 -0.004 0.000 0.332 521 Q C 1.130 177.191 176.000 0.101 0.000 1.355 521 Q CA 1.122 56.962 55.803 0.062 0.000 0.947 521 Q CB -2.411 26.377 28.738 0.084 0.000 1.189 521 Q HN 0.746 nan 8.270 nan 0.000 0.418 522 G N -0.153 108.695 108.800 0.081 0.000 2.203 522 G HA2 -0.400 3.558 3.960 -0.004 0.000 0.263 522 G HA3 -0.400 3.558 3.960 -0.004 0.000 0.263 522 G C 0.963 175.974 174.900 0.185 0.000 1.012 522 G CA 0.944 46.105 45.100 0.102 0.000 0.749 522 G HN 0.512 nan 8.290 nan 0.000 0.512 523 K N -0.671 119.854 120.400 0.208 0.000 2.280 523 K HA -0.051 4.266 4.320 -0.004 0.000 0.202 523 K C 2.414 179.173 176.600 0.265 0.000 1.047 523 K CA 1.752 58.218 56.287 0.298 0.000 0.942 523 K CB -0.063 32.545 32.500 0.180 0.000 0.739 523 K HN 0.665 nan 8.250 nan 0.000 0.457 524 T N -3.873 110.795 114.554 0.191 0.000 3.043 524 T HA 0.081 4.429 4.350 -0.004 0.000 0.272 524 T C 1.445 176.253 174.700 0.180 0.000 0.990 524 T CA 0.142 62.365 62.100 0.205 0.000 0.897 524 T CB 0.469 69.465 68.868 0.212 0.000 1.111 524 T HN 0.081 nan 8.240 nan 0.000 0.529 525 S N 0.068 115.855 115.700 0.145 0.000 2.549 525 S HA 0.390 4.858 4.470 -0.004 0.000 0.225 525 S C 2.141 176.808 174.600 0.110 0.000 1.039 525 S CA 0.449 58.721 58.200 0.120 0.000 0.942 525 S CB -0.430 62.819 63.200 0.082 0.000 0.881 525 S HN 0.445 nan 8.310 nan 0.000 0.503 526 G N 2.484 111.352 108.800 0.113 0.000 2.480 526 G HA2 -0.134 3.824 3.960 -0.004 0.000 0.216 526 G HA3 -0.134 3.824 3.960 -0.004 0.000 0.216 526 G C 1.341 176.295 174.900 0.089 0.000 1.200 526 G CA 1.381 46.521 45.100 0.067 0.000 0.782 526 G HN 0.428 nan 8.290 nan 0.000 0.554 527 V N 1.555 121.576 119.914 0.178 0.000 2.515 527 V HA -0.039 4.079 4.120 -0.004 0.000 0.250 527 V C 3.288 179.449 176.094 0.112 0.000 1.058 527 V CA 1.748 64.175 62.300 0.212 0.000 1.064 527 V CB -0.726 31.318 31.823 0.369 0.000 0.675 527 V HN 0.490 nan 8.190 nan 0.000 0.461 528 A N 0.287 123.216 122.820 0.182 0.000 1.933 528 A HA -0.132 4.186 4.320 -0.004 0.000 0.218 528 A C 2.443 180.086 177.584 0.098 0.000 1.175 528 A CA 2.109 54.269 52.037 0.205 0.000 0.628 528 A CB -0.719 18.415 19.000 0.224 0.000 0.814 528 A HN 0.554 nan 8.150 nan 0.000 0.444 529 A N 0.105 122.961 122.820 0.060 0.000 1.858 529 A HA -0.098 4.220 4.320 -0.004 0.000 0.216 529 A C 2.117 179.671 177.584 -0.050 0.000 1.190 529 A CA 1.522 53.568 52.037 0.015 0.000 0.617 529 A CB -0.680 18.327 19.000 0.012 0.000 0.827 529 A HN 0.492 nan 8.150 nan 0.000 0.443 530 I N -0.154 120.369 120.570 -0.079 0.000 2.151 530 I HA -0.287 3.881 4.170 -0.004 0.000 0.243 530 I C 2.704 178.639 176.117 -0.303 0.000 1.080 530 I CA 1.373 62.582 61.300 -0.152 0.000 1.339 530 I CB -0.729 37.219 38.000 -0.086 0.000 1.039 530 I HN 0.417 nan 8.210 nan 0.000 0.409 531 G N 0.238 108.755 108.800 -0.472 0.000 2.422 531 G HA2 -0.180 3.777 3.960 -0.004 0.000 0.218 531 G HA3 -0.180 3.777 3.960 -0.004 0.000 0.218 531 G C 1.703 176.478 174.900 -0.207 0.000 1.146 531 G CA 0.892 45.550 45.100 -0.737 0.000 0.769 531 G HN 0.265 nan 8.290 nan 0.000 0.547 532 V N 1.065 120.945 119.914 -0.057 0.000 2.358 532 V HA -0.123 3.994 4.120 -0.004 0.000 0.246 532 V C 2.781 178.837 176.094 -0.064 0.000 1.047 532 V CA 1.420 63.720 62.300 -0.000 0.000 1.035 532 V CB -0.342 31.494 31.823 0.023 0.000 0.658 532 V HN 0.397 nan 8.190 nan 0.000 0.452 533 I N 0.538 121.051 120.570 -0.095 0.000 2.127 533 I HA -0.265 3.903 4.170 -0.004 0.000 0.241 533 I C 2.719 178.767 176.117 -0.114 0.000 1.075 533 I CA 1.614 62.852 61.300 -0.103 0.000 1.334 533 I CB -0.680 37.257 38.000 -0.105 0.000 1.040 533 I HN 0.294 nan 8.210 nan 0.000 0.405 534 A N 0.788 123.514 122.820 -0.157 0.000 1.908 534 A HA -0.228 4.090 4.320 -0.004 0.000 0.218 534 A C 2.530 180.060 177.584 -0.089 0.000 1.181 534 A CA 2.150 54.093 52.037 -0.156 0.000 0.627 534 A CB -0.879 17.964 19.000 -0.261 0.000 0.818 534 A HN 0.470 nan 8.150 nan 0.000 0.445 535 A N -0.179 122.609 122.820 -0.054 0.000 1.873 535 A HA 0.008 4.326 4.320 -0.004 0.000 0.215 535 A C 2.326 179.883 177.584 -0.046 0.000 1.186 535 A CA 2.217 54.251 52.037 -0.005 0.000 0.616 535 A CB -1.226 17.805 19.000 0.052 0.000 0.823 535 A HN 1.176 nan 8.150 nan 0.000 0.442 536 V N -2.505 117.363 119.914 -0.076 0.000 2.667 536 V HA -0.007 4.110 4.120 -0.004 0.000 0.252 536 V C 1.916 177.959 176.094 -0.085 0.000 1.065 536 V CA 1.680 63.919 62.300 -0.100 0.000 1.083 536 V CB -0.696 31.052 31.823 -0.125 0.000 0.692 536 V HN 0.412 nan 8.190 nan 0.000 0.468 537 L N 1.115 122.292 121.223 -0.078 0.000 2.592 537 L HA 0.461 4.799 4.340 -0.004 0.000 0.227 537 L C 1.714 178.550 176.870 -0.057 0.000 1.127 537 L CA 0.611 55.409 54.840 -0.070 0.000 0.884 537 L CB -0.439 41.575 42.059 -0.074 0.000 1.065 537 L HN 0.626 nan 8.230 nan 0.000 0.457 538 G N 1.724 110.494 108.800 -0.050 0.000 2.246 538 G HA2 -0.280 3.678 3.960 -0.004 0.000 0.273 538 G HA3 -0.280 3.678 3.960 -0.004 0.000 0.273 538 G C -0.020 174.857 174.900 -0.038 0.000 1.055 538 G CA -0.052 45.026 45.100 -0.036 0.000 0.851 538 G HN 0.313 nan 8.290 nan 0.000 0.500 539 I N -0.167 120.370 120.570 -0.055 0.000 2.359 539 I HA 0.262 4.430 4.170 -0.004 0.000 0.294 539 I C 1.379 177.455 176.117 -0.069 0.000 0.987 539 I CA -0.528 60.732 61.300 -0.067 0.000 1.225 539 I CB 1.619 39.562 38.000 -0.096 0.000 1.366 539 I HN 0.343 nan 8.210 nan 0.000 0.466 540 E N 4.949 125.118 120.200 -0.051 0.000 2.051 540 E HA -0.144 4.203 4.350 -0.004 0.000 0.189 540 E C 0.601 177.154 176.600 -0.079 0.000 0.979 540 E CA 0.681 57.063 56.400 -0.030 0.000 0.803 540 E CB 0.279 29.981 29.700 0.002 0.000 0.761 540 E HN 0.603 nan 8.360 nan 0.000 0.451 541 N N 0.751 119.377 118.700 -0.124 0.000 2.527 541 N HA 0.135 4.873 4.740 -0.004 0.000 0.236 541 N C -2.222 173.045 175.510 -0.404 0.000 0.999 541 N CA -2.077 50.832 53.050 -0.235 0.000 0.935 541 N CB 1.537 39.965 38.487 -0.100 0.000 1.132 541 N HN -0.128 nan 8.380 nan 0.000 0.511 542 P HA -0.162 nan 4.420 nan 0.000 0.219 542 P C 0.711 177.774 177.300 -0.396 0.000 1.144 542 P CA 1.065 63.692 63.100 -0.788 0.000 0.806 542 P CB 0.198 30.942 31.700 -1.594 0.000 0.771 543 A N -0.100 122.515 122.820 -0.342 0.000 2.024 543 A HA -0.120 4.198 4.320 -0.004 0.000 0.220 543 A C 2.242 179.856 177.584 0.049 0.000 1.164 543 A CA 1.845 53.924 52.037 0.071 0.000 0.643 543 A CB -1.369 17.709 19.000 0.130 0.000 0.806 543 A HN 0.236 nan 8.150 nan 0.000 0.451 544 A N -0.412 122.379 122.820 -0.047 0.000 2.014 544 A HA 0.064 4.382 4.320 -0.004 0.000 0.218 544 A C 1.919 179.477 177.584 -0.043 0.000 1.163 544 A CA 1.312 53.327 52.037 -0.037 0.000 0.652 544 A CB -0.303 18.662 19.000 -0.058 0.000 0.808 544 A HN 0.416 nan 8.150 nan 0.000 0.449 545 I N -1.039 119.494 120.570 -0.060 0.000 2.339 545 I HA 0.139 4.307 4.170 -0.004 0.000 0.245 545 I C 1.595 177.688 176.117 -0.039 0.000 1.096 545 I CA 1.586 62.847 61.300 -0.065 0.000 1.408 545 I CB -2.171 35.768 38.000 -0.100 0.000 1.092 545 I HN 0.455 nan 8.210 nan 0.000 0.423 546 G N 1.306 110.124 108.800 0.031 0.000 2.828 546 G HA2 -0.184 3.774 3.960 -0.004 0.000 0.463 546 G HA3 -0.184 3.774 3.960 -0.004 0.000 0.463 546 G C 0.102 174.870 174.900 -0.220 0.000 1.394 546 G CA -0.071 45.003 45.100 -0.044 0.000 0.862 546 G HN 0.557 nan 8.290 nan 0.000 0.540 547 T N -2.351 111.981 114.554 -0.369 0.000 2.952 547 T HA 0.813 5.161 4.350 -0.004 0.000 0.286 547 T C 0.960 175.486 174.700 -0.290 0.000 1.024 547 T CA 0.628 62.492 62.100 -0.393 0.000 1.029 547 T CB 1.512 70.097 68.868 -0.472 0.000 1.094 547 T HN 2.055 nan 8.240 nan 0.000 0.515 548 T N -0.210 114.142 114.554 -0.335 0.000 2.788 548 T HA 0.373 4.721 4.350 -0.004 0.000 0.287 548 T C 0.325 174.794 174.700 -0.385 0.000 1.007 548 T CA -0.730 61.195 62.100 -0.291 0.000 1.005 548 T CB -0.137 68.577 68.868 -0.258 0.000 1.012 548 T HN 0.724 nan 8.240 nan 0.000 0.530 549 T N 1.992 116.397 114.554 -0.248 0.000 2.916 549 T HA 0.271 4.619 4.350 -0.004 0.000 0.303 549 T C -0.334 174.216 174.700 -0.250 0.000 1.025 549 T CA -0.009 61.986 62.100 -0.176 0.000 1.142 549 T CB -0.409 68.418 68.868 -0.068 0.000 0.947 549 T HN 0.419 nan 8.240 nan 0.000 0.544 550 F N 3.357 123.274 119.950 -0.053 0.000 2.411 550 F HA 0.444 4.967 4.527 -0.006 0.000 0.350 550 F C 1.199 177.012 175.800 0.022 0.000 1.114 550 F CA -0.551 57.431 58.000 -0.029 0.000 1.135 550 F CB 0.766 39.719 39.000 -0.078 0.000 1.120 550 F HN 0.150 nan 8.300 nan 0.000 0.495 551 R N 2.003 122.631 120.500 0.213 0.000 2.686 551 R HA 0.678 5.016 4.340 -0.004 0.000 0.286 551 R C -0.602 175.825 176.300 0.212 0.000 0.969 551 R CA -1.175 55.027 56.100 0.170 0.000 0.898 551 R CB 1.905 32.272 30.300 0.112 0.000 1.183 551 R HN 0.692 nan 8.270 nan 0.000 0.456 552 A N 3.994 126.933 122.820 0.199 0.000 2.425 552 A HA 0.434 4.752 4.320 -0.004 0.000 0.242 552 A C -1.746 175.980 177.584 0.236 0.000 1.077 552 A CA -0.799 51.395 52.037 0.263 0.000 0.781 552 A CB -0.359 18.820 19.000 0.297 0.000 1.020 552 A HN 0.455 nan 8.150 nan 0.000 0.494 553 P HA 0.141 nan 4.420 nan 0.000 0.281 553 P C 0.230 177.706 177.300 0.294 0.000 1.249 553 P CA -0.325 62.964 63.100 0.315 0.000 0.810 553 P CB 0.719 32.417 31.700 -0.004 0.000 1.008 554 Y N 2.321 122.764 120.300 0.238 0.000 2.114 554 Y HA -0.190 4.358 4.550 -0.004 0.000 0.282 554 Y C 0.882 176.848 175.900 0.110 0.000 1.165 554 Y CA 1.898 60.092 58.100 0.157 0.000 1.148 554 Y CB 0.062 38.583 38.460 0.101 0.000 0.972 554 Y HN 0.460 nan 8.280 nan 0.000 0.504 555 T N -1.624 112.908 114.554 -0.036 0.000 2.906 555 T HA 0.469 4.817 4.350 -0.004 0.000 0.295 555 T C -2.819 171.848 174.700 -0.055 0.000 1.061 555 T CA -2.249 59.767 62.100 -0.140 0.000 1.000 555 T CB 1.862 70.638 68.868 -0.154 0.000 1.103 555 T HN -0.182 nan 8.240 nan 0.000 0.486 556 P HA 0.272 nan 4.420 nan 0.000 0.264 556 P C -1.017 176.225 177.300 -0.098 0.000 1.179 556 P CA -0.308 62.754 63.100 -0.064 0.000 0.763 556 P CB 0.352 32.032 31.700 -0.034 0.000 0.806 557 V N 2.033 121.862 119.914 -0.143 0.000 2.638 557 V HA 0.560 4.678 4.120 -0.004 0.000 0.306 557 V C 0.216 176.276 176.094 -0.057 0.000 1.052 557 V CA -1.162 61.033 62.300 -0.176 0.000 0.885 557 V CB 1.706 33.256 31.823 -0.456 0.000 0.999 557 V HN 0.694 nan 8.190 nan 0.000 0.424 558 A N 3.104 125.903 122.820 -0.036 0.000 2.498 558 A HA 0.405 4.723 4.320 -0.004 0.000 0.239 558 A C 0.803 178.432 177.584 0.074 0.000 1.068 558 A CA 0.137 52.175 52.037 0.001 0.000 0.766 558 A CB -0.166 18.786 19.000 -0.081 0.000 1.003 558 A HN 0.675 nan 8.150 nan 0.000 0.497 559 F N 2.011 121.869 119.950 -0.153 0.000 2.095 559 F HA -0.206 4.319 4.527 -0.003 0.000 0.298 559 F C 2.689 178.380 175.800 -0.182 0.000 1.104 559 F CA 1.818 59.740 58.000 -0.130 0.000 1.232 559 F CB -1.235 37.713 39.000 -0.086 0.000 0.987 559 F HN 0.635 nan 8.300 nan 0.000 0.475 560 A N -0.267 122.512 122.820 -0.068 0.000 1.972 560 A HA -0.027 4.291 4.320 -0.004 0.000 0.219 560 A C 2.442 179.634 177.584 -0.653 0.000 1.169 560 A CA 1.748 53.594 52.037 -0.318 0.000 0.635 560 A CB -1.190 17.594 19.000 -0.360 0.000 0.810 560 A HN 0.311 nan 8.150 nan 0.000 0.446 561 A N -0.137 122.243 122.820 -0.733 0.000 1.873 561 A HA -0.001 4.317 4.320 -0.004 0.000 0.215 561 A C 2.114 179.703 177.584 0.010 0.000 1.186 561 A CA 1.399 53.162 52.037 -0.456 0.000 0.616 561 A CB -0.579 18.295 19.000 -0.211 0.000 0.823 561 A HN 0.465 nan 8.150 nan 0.000 0.442 562 L N -0.764 120.456 121.223 -0.004 0.000 2.141 562 L HA -0.163 4.174 4.340 -0.004 0.000 0.209 562 L C 2.977 179.982 176.870 0.225 0.000 1.094 562 L CA 0.888 55.799 54.840 0.118 0.000 0.763 562 L CB -0.501 41.549 42.059 -0.015 0.000 0.908 562 L HN 0.445 nan 8.230 nan 0.000 0.437 563 A N -0.185 122.673 122.820 0.063 0.000 1.969 563 A HA 0.172 4.489 4.320 -0.004 0.000 0.218 563 A C 1.758 179.297 177.584 -0.075 0.000 1.169 563 A CA 1.124 53.166 52.037 0.008 0.000 0.635 563 A CB -0.695 18.296 19.000 -0.015 0.000 0.810 563 A HN 0.492 nan 8.150 nan 0.000 0.445 564 G N -0.615 108.156 108.800 -0.049 0.000 2.583 564 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.292 564 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.292 564 G C 0.630 175.408 174.900 -0.203 0.000 1.203 564 G CA 0.379 45.330 45.100 -0.247 0.000 0.987 564 G HN 0.409 nan 8.290 nan 0.000 0.554 565 R N 1.457 121.791 120.500 -0.277 0.000 2.334 565 R HA 0.116 4.454 4.340 -0.004 0.000 0.220 565 R C 0.793 177.010 176.300 -0.138 0.000 0.917 565 R CA 0.245 56.217 56.100 -0.214 0.000 1.073 565 R CB -0.888 29.288 30.300 -0.206 0.000 1.056 565 R HN 0.545 nan 8.270 nan 0.000 0.506 566 N N 1.846 120.466 118.700 -0.134 0.000 3.178 566 N HA 0.046 4.784 4.740 -0.004 0.000 0.300 566 N C -0.393 175.084 175.510 -0.056 0.000 1.242 566 N CA 0.125 53.122 53.050 -0.088 0.000 1.192 566 N CB 0.340 38.777 38.487 -0.084 0.000 1.463 566 N HN -0.202 nan 8.380 nan 0.000 0.539 567 R N 0.119 120.591 120.500 -0.047 0.000 2.867 567 R HA 0.610 4.948 4.340 -0.004 0.000 0.268 567 R C 0.857 177.147 176.300 -0.016 0.000 1.014 567 R CA -0.606 55.481 56.100 -0.022 0.000 0.946 567 R CB 0.829 31.123 30.300 -0.010 0.000 1.208 567 R HN 0.386 nan 8.270 nan 0.000 0.477 568 G N 1.539 110.336 108.800 -0.004 0.000 2.596 568 G HA2 -0.354 3.604 3.960 -0.004 0.000 0.295 568 G HA3 -0.354 3.604 3.960 -0.004 0.000 0.295 568 G C 0.258 175.150 174.900 -0.013 0.000 1.240 568 G CA 0.664 45.763 45.100 -0.002 0.000 0.985 568 G HN 0.622 nan 8.290 nan 0.000 0.555 569 D N 0.751 121.141 120.400 -0.016 0.000 2.350 569 D HA -0.010 4.628 4.640 -0.004 0.000 0.216 569 D C 2.325 178.601 176.300 -0.040 0.000 0.968 569 D CA 0.972 54.954 54.000 -0.029 0.000 0.894 569 D CB 0.009 40.790 40.800 -0.032 0.000 0.909 569 D HN 0.390 nan 8.370 nan 0.000 0.520 570 Q N 0.253 120.031 119.800 -0.037 0.000 2.444 570 Q HA 0.022 4.360 4.340 -0.004 0.000 0.206 570 Q C 1.976 177.945 176.000 -0.051 0.000 0.948 570 Q CA -0.104 55.671 55.803 -0.047 0.000 0.946 570 Q CB 0.241 28.951 28.738 -0.046 0.000 1.027 570 Q HN 0.294 nan 8.270 nan 0.000 0.513 571 L N 0.491 121.689 121.223 -0.042 0.000 2.083 571 L HA -0.064 4.274 4.340 -0.004 0.000 0.209 571 L C -0.067 176.775 176.870 -0.046 0.000 1.083 571 L CA 1.677 56.493 54.840 -0.040 0.000 0.752 571 L CB 0.269 42.312 42.059 -0.027 0.000 0.899 571 L HN -0.026 nan 8.230 nan 0.000 0.433 572 D N -1.977 118.392 120.400 -0.051 0.000 2.927 572 D HA 0.345 4.982 4.640 -0.004 0.000 0.219 572 D C -2.727 173.526 176.300 -0.077 0.000 1.248 572 D CA -1.497 52.466 54.000 -0.061 0.000 0.861 572 D CB 1.556 42.325 40.800 -0.051 0.000 1.677 572 D HN -0.195 nan 8.370 nan 0.000 0.511 573 P HA 0.285 nan 4.420 nan 0.000 0.263 573 P C -1.327 175.888 177.300 -0.143 0.000 1.175 573 P CA -0.108 62.917 63.100 -0.125 0.000 0.761 573 P CB 0.631 32.243 31.700 -0.147 0.000 0.794 574 A N 4.122 126.850 122.820 -0.153 0.000 2.328 574 A HA 0.339 4.657 4.320 -0.004 0.000 0.318 574 A C 0.154 177.604 177.584 -0.223 0.000 1.347 574 A CA -0.712 51.228 52.037 -0.163 0.000 0.842 574 A CB 0.395 19.313 19.000 -0.137 0.000 1.148 574 A HN 0.398 nan 8.150 nan 0.000 0.499 575 R N 1.694 122.018 120.500 -0.294 0.000 2.490 575 R HA 0.536 4.874 4.340 -0.004 0.000 0.280 575 R C -0.338 175.864 176.300 -0.164 0.000 1.077 575 R CA 0.050 55.905 56.100 -0.408 0.000 1.065 575 R CB 0.746 30.435 30.300 -1.020 0.000 1.003 575 R HN 0.810 nan 8.270 nan 0.000 0.470 576 I N -2.074 118.423 120.570 -0.121 0.000 2.686 576 I HA 0.413 4.581 4.170 -0.004 0.000 0.295 576 I C 0.242 176.474 176.117 0.191 0.000 1.114 576 I CA -1.011 60.251 61.300 -0.062 0.000 1.038 576 I CB 2.337 39.988 38.000 -0.582 0.000 1.238 576 I HN 0.542 nan 8.210 nan 0.000 0.420 577 T N 2.113 116.838 114.554 0.287 0.000 2.788 577 T HA 0.733 5.081 4.350 -0.004 0.000 0.280 577 T C 0.630 175.417 174.700 0.145 0.000 0.984 577 T CA -0.140 62.104 62.100 0.240 0.000 0.972 577 T CB 1.249 70.210 68.868 0.156 0.000 1.039 577 T HN 0.995 nan 8.240 nan 0.000 0.530 581 S N -0.126 115.597 115.700 0.038 0.000 2.383 581 S HA -0.216 4.251 4.470 -0.004 0.000 0.229 581 S C 1.974 176.598 174.600 0.040 0.000 1.030 581 S CA 1.477 59.695 58.200 0.030 0.000 1.002 581 S CB -0.712 62.532 63.200 0.073 0.000 0.829 581 S HN 0.555 nan 8.310 nan 0.000 0.467 582 W N 2.258 123.452 121.300 -0.176 0.000 2.407 582 W HA 0.015 4.673 4.660 -0.004 0.000 0.305 582 W C 2.298 178.835 176.519 0.031 0.000 1.196 582 W CA 1.708 58.993 57.345 -0.101 0.000 1.311 582 W CB -0.459 28.792 29.460 -0.348 0.000 1.135 582 W HN 0.465 nan 8.180 nan 0.000 0.514 583 H N -0.471 118.785 119.070 0.311 0.000 2.352 583 H HA -0.223 4.331 4.556 -0.004 0.000 0.299 583 H C 2.290 177.677 175.328 0.098 0.000 1.097 583 H CA 1.803 58.014 56.048 0.271 0.000 1.311 583 H CB -0.498 29.383 29.762 0.197 0.000 1.377 583 H HN 0.146 nan 8.280 nan 0.000 0.504 584 L N 0.374 121.695 121.223 0.162 0.000 1.976 584 L HA -0.216 4.121 4.340 -0.004 0.000 0.209 584 L C 2.794 179.659 176.870 -0.008 0.000 1.071 584 L CA 1.577 56.468 54.840 0.085 0.000 0.746 584 L CB -0.497 41.544 42.059 -0.030 0.000 0.890 584 L HN 0.395 nan 8.230 nan 0.000 0.432 585 S N -1.826 113.827 115.700 -0.079 0.000 2.442 585 S HA -0.203 4.265 4.470 -0.004 0.000 0.236 585 S C 1.455 175.820 174.600 -0.391 0.000 1.007 585 S CA 0.871 58.944 58.200 -0.213 0.000 0.965 585 S CB -0.551 62.498 63.200 -0.251 0.000 0.773 585 S HN 0.469 nan 8.310 nan 0.000 0.504 586 H N 1.146 120.008 119.070 -0.348 0.000 2.568 586 H HA 0.336 4.890 4.556 -0.004 0.000 0.302 586 H C 1.470 176.747 175.328 -0.085 0.000 1.065 586 H CA 0.119 55.956 56.048 -0.351 0.000 1.140 586 H CB -0.287 28.975 29.762 -0.833 0.000 1.474 586 H HN 0.613 nan 8.280 nan 0.000 0.545 587 G N 1.396 110.178 108.800 -0.031 0.000 2.283 587 G HA2 -0.298 3.660 3.960 -0.004 0.000 0.280 587 G HA3 -0.298 3.660 3.960 -0.004 0.000 0.280 587 G C 0.535 175.358 174.900 -0.128 0.000 1.029 587 G CA 0.318 45.396 45.100 -0.037 0.000 0.840 587 G HN 0.646 nan 8.290 nan 0.000 0.505 588 A N -0.556 122.114 122.820 -0.250 0.000 2.425 588 A HA 0.599 4.916 4.320 -0.004 0.000 0.249 588 A C 0.571 177.646 177.584 -0.848 0.000 1.084 588 A CA 0.028 51.596 52.037 -0.781 0.000 0.781 588 A CB 0.514 18.813 19.000 -1.167 0.000 1.019 588 A HN 0.319 nan 8.150 nan 0.000 0.490 589 E N 0.509 120.133 120.200 -0.960 0.000 2.204 589 E HA 0.563 4.911 4.350 -0.004 0.000 0.276 589 E C -1.296 174.922 176.600 -0.637 0.000 0.974 589 E CA -0.006 56.005 56.400 -0.650 0.000 0.815 589 E CB 1.250 30.414 29.700 -0.893 0.000 1.119 589 E HN 0.463 nan 8.360 nan 0.000 0.393 590 F N 0.557 120.505 119.950 -0.003 0.000 2.523 590 F HA 0.320 4.845 4.527 -0.004 0.000 0.329 590 F C 0.814 176.636 175.800 0.036 0.000 1.061 590 F CA -0.803 57.219 58.000 0.038 0.000 0.967 590 F CB 1.482 40.505 39.000 0.038 0.000 1.218 590 F HN 0.284 nan 8.300 nan 0.000 0.480 591 E N 1.042 121.309 120.200 0.112 0.000 2.212 591 E HA 0.232 4.580 4.350 -0.004 0.000 0.268 591 E C -1.636 174.935 176.600 -0.048 0.000 0.902 591 E CA -0.881 55.385 56.400 -0.223 0.000 0.779 591 E CB 1.239 30.619 29.700 -0.532 0.000 1.172 591 E HN 0.475 nan 8.360 nan 0.000 0.409 592 D N 3.639 123.989 120.400 -0.082 0.000 2.365 592 D HA 0.159 4.797 4.640 -0.004 0.000 0.237 592 D C -0.704 175.604 176.300 0.014 0.000 1.190 592 D CA -0.060 53.938 54.000 -0.002 0.000 0.867 592 D CB 1.517 42.308 40.800 -0.015 0.000 1.050 592 D HN 0.123 nan 8.370 nan 0.000 0.491 593 V N 3.019 122.987 119.914 0.091 0.000 2.257 593 V HA 0.468 4.586 4.120 -0.004 0.000 0.269 593 V C 1.156 177.364 176.094 0.191 0.000 1.040 593 V CA -0.085 62.287 62.300 0.121 0.000 0.813 593 V CB 0.476 32.371 31.823 0.121 0.000 1.065 593 V HN 0.866 nan 8.190 nan 0.000 0.457 594 G N 4.885 113.758 108.800 0.122 0.000 2.561 594 G HA2 -0.304 3.653 3.960 -0.004 0.000 0.289 594 G HA3 -0.304 3.653 3.960 -0.004 0.000 0.289 594 G C 0.477 175.413 174.900 0.060 0.000 1.169 594 G CA 0.655 45.819 45.100 0.105 0.000 0.980 594 G HN 0.572 nan 8.290 nan 0.000 0.550 595 Q N -0.292 119.508 119.800 -0.000 0.000 2.280 595 Q HA 0.264 4.602 4.340 -0.004 0.000 0.201 595 Q C 0.169 176.101 176.000 -0.113 0.000 0.890 595 Q CA -0.197 55.546 55.803 -0.099 0.000 0.947 595 Q CB 0.566 29.185 28.738 -0.198 0.000 1.081 595 Q HN 0.484 nan 8.270 nan 0.000 0.502 596 W N 1.359 122.641 121.300 -0.031 0.000 2.303 596 W HA 0.254 4.912 4.660 -0.004 0.000 0.334 596 W C 0.469 176.972 176.519 -0.026 0.000 1.197 596 W CA -0.609 56.718 57.345 -0.030 0.000 1.262 596 W CB 0.836 30.295 29.460 -0.002 0.000 1.153 596 W HN -0.360 nan 8.180 nan 0.000 0.596 597 K N 3.714 124.291 120.400 0.295 0.000 2.389 597 K HA 0.383 4.701 4.320 -0.004 0.000 0.261 597 K C -0.475 176.331 176.600 0.344 0.000 1.014 597 K CA -0.587 55.809 56.287 0.181 0.000 0.920 597 K CB 1.118 33.571 32.500 -0.078 0.000 1.149 597 K HN 0.483 nan 8.250 nan 0.000 0.444 598 R N 2.546 123.249 120.500 0.338 0.000 2.637 598 R HA 0.392 4.730 4.340 -0.004 0.000 0.291 598 R C -2.499 173.931 176.300 0.217 0.000 0.963 598 R CA -2.171 54.078 56.100 0.249 0.000 0.901 598 R CB 1.375 31.715 30.300 0.068 0.000 1.160 598 R HN 0.176 nan 8.270 nan 0.000 0.457 599 P HA -0.111 nan 4.420 nan 0.000 0.263 599 P C -0.356 176.824 177.300 -0.199 0.000 1.195 599 P CA 0.102 62.872 63.100 -0.551 0.000 0.762 599 P CB 0.406 31.608 31.700 -0.831 0.000 0.799 600 W N 6.327 127.380 121.300 -0.411 0.000 2.525 600 W HA 0.068 4.727 4.660 -0.003 0.000 0.288 600 W C -0.053 176.495 176.519 0.047 0.000 1.200 600 W CA 1.173 58.455 57.345 -0.106 0.000 1.349 600 W CB -0.179 29.280 29.460 -0.002 0.000 1.102 600 W HN 0.450 nan 8.180 nan 0.000 0.558 601 Y N -4.326 115.872 120.300 -0.170 0.000 2.732 601 Y HA 0.366 4.914 4.550 -0.004 0.000 0.342 601 Y C -2.117 173.611 175.900 -0.285 0.000 1.203 601 Y CA -2.308 55.707 58.100 -0.142 0.000 1.092 601 Y CB -0.119 38.230 38.460 -0.185 0.000 1.345 601 Y HN -0.128 nan 8.280 nan 0.000 0.458 602 Y N 2.998 123.353 120.300 0.093 0.000 2.712 602 Y HA 0.487 5.035 4.550 -0.004 0.000 0.328 602 Y C -2.545 173.430 175.900 0.125 0.000 0.995 602 Y CA -2.262 55.855 58.100 0.028 0.000 1.283 602 Y CB 1.284 39.817 38.460 0.122 0.000 1.092 602 Y HN 0.289 nan 8.280 nan 0.000 0.519 603 P HA 0.107 nan 4.420 nan 0.000 0.279 603 P C -0.798 176.593 177.300 0.151 0.000 1.239 603 P CA -0.294 62.941 63.100 0.226 0.000 0.789 603 P CB 1.505 33.354 31.700 0.247 0.000 0.933 604 Q N 0.846 120.727 119.800 0.135 0.000 2.199 604 Q HA 0.526 4.864 4.340 -0.004 0.000 0.232 604 Q C 0.157 176.202 176.000 0.075 0.000 0.969 604 Q CA -0.979 54.885 55.803 0.103 0.000 0.925 604 Q CB 0.962 29.759 28.738 0.099 0.000 1.198 604 Q HN 0.537 nan 8.270 nan 0.000 0.494 605 A N 0.384 123.238 122.820 0.056 0.000 2.566 605 A HA 0.322 4.640 4.320 -0.004 0.000 0.245 605 A C 1.152 178.761 177.584 0.041 0.000 1.056 605 A CA 0.998 53.060 52.037 0.042 0.000 0.757 605 A CB -1.040 17.978 19.000 0.031 0.000 0.979 605 A HN 0.992 nan 8.150 nan 0.000 0.508 606 G N 1.823 110.645 108.800 0.038 0.000 2.179 606 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.260 606 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.260 606 G C 0.014 174.934 174.900 0.033 0.000 0.977 606 G CA 0.529 45.648 45.100 0.032 0.000 0.641 606 G HN 0.874 nan 8.290 nan 0.000 0.533 607 E N 1.237 121.465 120.200 0.047 0.000 2.266 607 E HA 0.499 4.847 4.350 -0.004 0.000 0.277 607 E C 0.971 177.592 176.600 0.036 0.000 1.018 607 E CA 0.149 56.575 56.400 0.043 0.000 0.840 607 E CB 1.041 30.782 29.700 0.068 0.000 1.082 607 E HN 0.413 nan 8.360 nan 0.000 0.395 611 Q N 1.122 120.871 119.800 -0.085 0.000 2.079 611 Q HA 0.084 4.421 4.340 -0.004 0.000 0.200 611 Q C 2.111 178.137 176.000 0.045 0.000 0.974 611 Q CA 1.692 57.491 55.803 -0.005 0.000 0.840 611 Q CB 0.060 28.792 28.738 -0.010 0.000 0.898 611 Q HN 0.265 nan 8.270 nan 0.000 0.430 612 A N 0.506 123.324 122.820 -0.004 0.000 1.877 612 A HA -0.145 4.173 4.320 -0.004 0.000 0.216 612 A C 2.344 179.961 177.584 0.056 0.000 1.186 612 A CA 1.440 53.514 52.037 0.061 0.000 0.620 612 A CB -0.783 18.293 19.000 0.128 0.000 0.822 612 A HN 0.209 nan 8.150 nan 0.000 0.443 613 V N -1.596 118.295 119.914 -0.039 0.000 2.407 613 V HA -0.260 3.857 4.120 -0.004 0.000 0.248 613 V C 2.347 178.471 176.094 0.050 0.000 1.055 613 V CA 2.026 64.320 62.300 -0.010 0.000 1.049 613 V CB -1.019 30.753 31.823 -0.085 0.000 0.662 613 V HN 0.660 nan 8.190 nan 0.000 0.455 614 Y N 1.037 121.304 120.300 -0.055 0.000 2.181 614 Y HA -0.214 4.333 4.550 -0.004 0.000 0.288 614 Y C 2.784 178.665 175.900 -0.031 0.000 1.146 614 Y CA 2.179 60.256 58.100 -0.038 0.000 1.164 614 Y CB -0.214 38.227 38.460 -0.032 0.000 0.982 614 Y HN 0.116 nan 8.280 nan 0.000 0.515 615 R N 0.322 120.872 120.500 0.084 0.000 2.066 615 R HA -0.154 4.184 4.340 -0.004 0.000 0.232 615 R C 2.038 178.324 176.300 -0.024 0.000 1.131 615 R CA 1.976 58.092 56.100 0.026 0.000 0.955 615 R CB -0.267 30.079 30.300 0.077 0.000 0.851 615 R HN 0.406 nan 8.270 nan 0.000 0.432 616 E N 0.035 120.241 120.200 0.010 0.000 2.051 616 E HA -0.183 4.164 4.350 -0.004 0.000 0.192 616 E C 2.020 178.536 176.600 -0.140 0.000 0.991 616 E CA 1.462 57.859 56.400 -0.005 0.000 0.799 616 E CB -0.178 29.583 29.700 0.102 0.000 0.748 616 E HN 0.261 nan 8.360 nan 0.000 0.449 617 S N 0.609 116.211 115.700 -0.163 0.000 2.383 617 S HA -0.235 4.232 4.470 -0.004 0.000 0.229 617 S C 1.951 176.381 174.600 -0.283 0.000 1.030 617 S CA 1.785 59.835 58.200 -0.250 0.000 1.002 617 S CB -0.031 63.036 63.200 -0.222 0.000 0.829 617 S HN 0.043 nan 8.310 nan 0.000 0.467 618 K N 0.921 121.161 120.400 -0.268 0.000 2.076 618 K HA 0.258 4.576 4.320 -0.004 0.000 0.204 618 K C 2.139 178.636 176.600 -0.171 0.000 1.051 618 K CA 1.166 57.304 56.287 -0.248 0.000 0.949 618 K CB -0.737 31.608 32.500 -0.257 0.000 0.726 618 K HN 0.294 nan 8.250 nan 0.000 0.443 619 A N 0.413 123.155 122.820 -0.130 0.000 1.892 619 A HA -0.157 4.161 4.320 -0.004 0.000 0.218 619 A C 2.267 179.790 177.584 -0.101 0.000 1.188 619 A CA 2.035 54.023 52.037 -0.082 0.000 0.631 619 A CB -1.003 17.975 19.000 -0.036 0.000 0.822 619 A HN 0.138 nan 8.150 nan 0.000 0.447 620 V N 0.069 119.880 119.914 -0.171 0.000 2.282 620 V HA -0.320 3.798 4.120 -0.004 0.000 0.249 620 V C 2.670 178.679 176.094 -0.142 0.000 1.057 620 V CA 2.450 64.634 62.300 -0.193 0.000 1.032 620 V CB -0.833 30.756 31.823 -0.391 0.000 0.645 620 V HN 0.550 nan 8.190 nan 0.000 0.447 621 R N -0.482 119.920 120.500 -0.163 0.000 2.115 621 R HA -0.097 4.241 4.340 -0.004 0.000 0.226 621 R C 2.027 178.283 176.300 -0.073 0.000 1.100 621 R CA 1.340 57.369 56.100 -0.118 0.000 0.980 621 R CB -0.356 29.847 30.300 -0.162 0.000 0.875 621 R HN 0.527 nan 8.270 nan 0.000 0.445 622 D N -0.313 120.041 120.400 -0.077 0.000 2.091 622 D HA -0.074 4.564 4.640 -0.004 0.000 0.199 622 D C 1.651 177.929 176.300 -0.036 0.000 0.980 622 D CA 1.405 55.377 54.000 -0.048 0.000 0.831 622 D CB 0.133 40.906 40.800 -0.044 0.000 0.987 622 D HN 0.037 nan 8.370 nan 0.000 0.460 623 S N -1.680 114.000 115.700 -0.034 0.000 3.884 623 S HA 0.355 4.823 4.470 -0.004 0.000 0.174 623 S C -0.368 174.208 174.600 -0.040 0.000 0.872 623 S CA -0.095 58.090 58.200 -0.024 0.000 1.015 623 S CB 0.468 63.688 63.200 0.033 0.000 1.395 623 S HN -0.013 nan 8.310 nan 0.000 0.737 624 V N 0.496 120.406 119.914 -0.008 0.000 3.098 624 V HA 0.712 4.830 4.120 -0.004 0.000 0.294 624 V C -0.578 175.536 176.094 0.033 0.000 1.351 624 V CA 0.306 62.606 62.300 -0.000 0.000 0.999 624 V CB 1.350 33.166 31.823 -0.011 0.000 1.104 624 V HN 0.796 nan 8.190 nan 0.000 0.438 628 D N 3.611 124.192 120.400 0.302 0.000 2.402 628 D HA 0.498 5.135 4.640 -0.004 0.000 0.235 628 D C 0.409 176.738 176.300 0.050 0.000 1.226 628 D CA 0.665 54.792 54.000 0.213 0.000 0.918 628 D CB 1.462 42.289 40.800 0.045 0.000 1.043 628 D HN 0.728 nan 8.370 nan 0.000 0.506 629 A N 3.132 125.985 122.820 0.054 0.000 2.532 629 A HA 0.107 4.425 4.320 -0.004 0.000 0.273 629 A C 1.753 179.303 177.584 -0.058 0.000 1.342 629 A CA -0.237 51.789 52.037 -0.019 0.000 0.929 629 A CB -0.051 18.952 19.000 0.005 0.000 1.051 629 A HN 0.485 nan 8.150 nan 0.000 0.521 630 T N 0.330 114.835 114.554 -0.082 0.000 2.867 630 T HA -0.137 4.211 4.350 -0.004 0.000 0.268 630 T C 2.196 176.724 174.700 -0.287 0.000 1.057 630 T CA 2.094 64.123 62.100 -0.119 0.000 1.136 630 T CB -0.375 68.446 68.868 -0.078 0.000 0.874 630 T HN 0.807 nan 8.240 nan 0.000 0.466 631 T N 0.167 114.386 114.554 -0.559 0.000 3.051 631 T HA 0.070 4.418 4.350 -0.004 0.000 0.269 631 T C 0.744 175.194 174.700 -0.417 0.000 1.127 631 T CA 0.054 61.572 62.100 -0.970 0.000 1.107 631 T CB -0.612 67.391 68.868 -1.442 0.000 0.898 631 T HN 0.030 nan 8.240 nan 0.000 0.517 632 L N 2.178 123.275 121.223 -0.210 0.000 2.506 632 L HA 0.446 4.784 4.340 -0.004 0.000 0.281 632 L C 1.318 178.176 176.870 -0.020 0.000 1.228 632 L CA 0.445 55.237 54.840 -0.079 0.000 0.850 632 L CB -0.188 41.864 42.059 -0.011 0.000 1.110 632 L HN 0.363 nan 8.230 nan 0.000 0.496 633 G N 2.173 110.975 108.800 0.004 0.000 2.442 633 G HA2 0.428 4.385 3.960 -0.004 0.000 0.249 633 G HA3 0.428 4.385 3.960 -0.004 0.000 0.249 633 G C -0.606 174.261 174.900 -0.055 0.000 1.263 633 G CA -0.484 44.624 45.100 0.013 0.000 0.846 633 G HN 0.580 nan 8.290 nan 0.000 0.555 634 K N 1.374 121.726 120.400 -0.079 0.000 2.541 634 K HA 0.442 4.760 4.320 -0.004 0.000 0.250 634 K C -1.105 175.428 176.600 -0.112 0.000 0.950 634 K CA -0.456 55.712 56.287 -0.198 0.000 0.805 634 K CB 2.432 34.796 32.500 -0.228 0.000 1.166 634 K HN 0.361 nan 8.250 nan 0.000 0.430 635 I N 1.935 122.441 120.570 -0.106 0.000 2.478 635 I HA 0.214 4.382 4.170 -0.004 0.000 0.287 635 I C -0.544 175.566 176.117 -0.011 0.000 1.042 635 I CA -0.638 60.647 61.300 -0.026 0.000 1.067 635 I CB 2.090 40.108 38.000 0.031 0.000 1.233 635 I HN 0.570 nan 8.210 nan 0.000 0.431 636 E N 7.585 127.786 120.200 0.000 0.000 2.174 636 E HA 0.559 4.907 4.350 -0.004 0.000 0.282 636 E C -1.080 175.558 176.600 0.063 0.000 0.992 636 E CA -0.645 55.770 56.400 0.025 0.000 0.803 636 E CB 1.450 31.150 29.700 0.001 0.000 1.090 636 E HN 0.599 nan 8.360 nan 0.000 0.396 637 I N 1.225 121.864 120.570 0.115 0.000 2.603 637 I HA 0.674 4.842 4.170 -0.004 0.000 0.300 637 I C -0.827 175.378 176.117 0.146 0.000 1.017 637 I CA -1.076 60.302 61.300 0.130 0.000 1.098 637 I CB 2.002 40.108 38.000 0.177 0.000 1.279 637 I HN 0.416 nan 8.210 nan 0.000 0.437 638 R N 3.573 124.135 120.500 0.102 0.000 2.651 638 R HA 0.815 5.153 4.340 -0.004 0.000 0.278 638 R C -1.065 175.279 176.300 0.072 0.000 1.010 638 R CA -0.383 55.772 56.100 0.092 0.000 0.896 638 R CB 2.320 32.651 30.300 0.052 0.000 1.211 638 R HN 1.228 nan 8.270 nan 0.000 0.456 639 G N 2.250 111.101 108.800 0.085 0.000 2.368 639 G HA2 0.028 3.986 3.960 -0.004 0.000 0.303 639 G HA3 0.028 3.986 3.960 -0.004 0.000 0.303 639 G C -0.764 174.185 174.900 0.081 0.000 1.590 639 G CA -0.801 44.335 45.100 0.061 0.000 0.938 639 G HN 0.465 nan 8.290 nan 0.000 0.675 640 K N -0.151 120.283 120.400 0.056 0.000 2.360 640 K HA 0.063 4.381 4.320 -0.004 0.000 0.201 640 K C 1.220 177.864 176.600 0.072 0.000 1.046 640 K CA 1.384 57.708 56.287 0.061 0.000 0.945 640 K CB 0.223 32.746 32.500 0.039 0.000 0.750 640 K HN 0.459 nan 8.250 nan 0.000 0.464 641 D N -1.154 119.285 120.400 0.064 0.000 2.440 641 D HA 0.179 4.816 4.640 -0.004 0.000 0.216 641 D C 1.163 177.525 176.300 0.103 0.000 1.150 641 D CA 0.203 54.240 54.000 0.062 0.000 0.832 641 D CB 0.601 41.414 40.800 0.022 0.000 0.992 641 D HN 0.046 nan 8.370 nan 0.000 0.502 642 A N 1.381 124.291 122.820 0.150 0.000 1.873 642 A HA -0.175 4.142 4.320 -0.004 0.000 0.218 642 A C 2.327 179.962 177.584 0.085 0.000 1.193 642 A CA 2.193 54.348 52.037 0.197 0.000 0.629 642 A CB -0.532 18.688 19.000 0.366 0.000 0.826 642 A HN 0.266 nan 8.150 nan 0.000 0.447 643 A N -1.155 121.741 122.820 0.127 0.000 1.902 643 A HA -0.163 4.155 4.320 -0.004 0.000 0.217 643 A C 2.065 179.646 177.584 -0.005 0.000 1.181 643 A CA 1.766 53.794 52.037 -0.016 0.000 0.623 643 A CB -0.462 18.665 19.000 0.211 0.000 0.818 643 A HN 0.499 nan 8.150 nan 0.000 0.443 644 E N -1.023 119.202 120.200 0.042 0.000 2.153 644 E HA -0.161 4.186 4.350 -0.004 0.000 0.194 644 E C 1.697 178.285 176.600 -0.020 0.000 0.988 644 E CA 0.948 57.349 56.400 0.002 0.000 0.811 644 E CB -0.285 29.409 29.700 -0.011 0.000 0.746 644 E HN 0.588 nan 8.360 nan 0.000 0.466 645 F N 1.258 121.124 119.950 -0.140 0.000 2.146 645 F HA -0.115 4.410 4.527 -0.004 0.000 0.298 645 F C 2.133 177.857 175.800 -0.127 0.000 1.096 645 F CA 1.005 58.916 58.000 -0.148 0.000 1.275 645 F CB -0.399 38.566 39.000 -0.060 0.000 1.008 645 F HN -0.054 nan 8.300 nan 0.000 0.480 646 L N -0.020 121.086 121.223 -0.196 0.000 2.083 646 L HA -0.266 4.071 4.340 -0.004 0.000 0.209 646 L C 2.041 178.838 176.870 -0.122 0.000 1.083 646 L CA 1.836 56.502 54.840 -0.290 0.000 0.752 646 L CB -1.008 40.733 42.059 -0.531 0.000 0.899 646 L HN 0.220 nan 8.230 nan 0.000 0.433 647 N N -0.314 118.357 118.700 -0.049 0.000 2.289 647 N HA -0.148 4.590 4.740 -0.004 0.000 0.184 647 N C 1.892 177.393 175.510 -0.015 0.000 1.016 647 N CA 0.705 53.775 53.050 0.032 0.000 0.872 647 N CB 0.062 38.565 38.487 0.026 0.000 0.973 647 N HN 0.344 nan 8.380 nan 0.000 0.433 648 R N 0.080 120.481 120.500 -0.165 0.000 2.100 648 R HA 0.101 4.439 4.340 -0.004 0.000 0.220 648 R C 1.703 177.886 176.300 -0.195 0.000 1.091 648 R CA 0.553 56.533 56.100 -0.201 0.000 0.986 648 R CB 0.086 30.102 30.300 -0.474 0.000 0.888 648 R HN 0.175 nan 8.270 nan 0.000 0.444 649 I N -0.021 120.319 120.570 -0.383 0.000 2.277 649 I HA -0.096 4.072 4.170 -0.004 0.000 0.243 649 I C 0.847 176.793 176.117 -0.285 0.000 1.094 649 I CA 0.927 61.976 61.300 -0.418 0.000 1.393 649 I CB -0.648 36.923 38.000 -0.715 0.000 1.078 649 I HN -0.049 nan 8.210 nan 0.000 0.417 650 Y N 1.356 121.541 120.300 -0.192 0.000 2.316 650 Y HA 0.074 4.623 4.550 -0.003 0.000 0.324 650 Y C 2.125 177.841 175.900 -0.307 0.000 1.267 650 Y CA -0.011 57.986 58.100 -0.172 0.000 1.311 650 Y CB 0.598 38.996 38.460 -0.103 0.000 1.267 650 Y HN 0.063 nan 8.280 nan 0.000 0.516 651 T N -2.357 112.015 114.554 -0.304 0.000 2.995 651 T HA -0.047 4.301 4.350 -0.004 0.000 0.269 651 T C 0.402 174.638 174.700 -0.774 0.000 1.091 651 T CA 0.623 62.069 62.100 -1.090 0.000 1.128 651 T CB -0.410 68.031 68.868 -0.711 0.000 0.891 651 T HN 0.634 nan 8.240 nan 0.000 0.492 652 N N 1.128 119.660 118.700 -0.281 0.000 2.518 652 N HA 0.503 5.241 4.740 -0.004 0.000 0.284 652 N C -0.019 175.411 175.510 -0.133 0.000 1.230 652 N CA -0.664 52.261 53.050 -0.210 0.000 0.941 652 N CB 0.954 39.306 38.487 -0.225 0.000 1.219 652 N HN 0.224 nan 8.380 nan 0.000 0.560 653 G N -1.535 107.132 108.800 -0.222 0.000 2.448 653 G HA2 0.445 4.403 3.960 -0.004 0.000 0.285 653 G HA3 0.445 4.403 3.960 -0.004 0.000 0.285 653 G C -0.978 173.641 174.900 -0.467 0.000 1.176 653 G CA -0.375 44.623 45.100 -0.169 0.000 0.852 653 G HN 0.615 nan 8.290 nan 0.000 0.530 654 Y N -0.310 119.954 120.300 -0.059 0.000 2.540 654 Y HA 0.134 4.681 4.550 -0.004 0.000 0.257 654 Y C 2.662 178.596 175.900 0.056 0.000 1.090 654 Y CA 0.051 58.124 58.100 -0.044 0.000 1.242 654 Y CB 0.853 39.188 38.460 -0.209 0.000 1.325 654 Y HN 0.506 nan 8.280 nan 0.000 0.544 655 T N 0.968 115.610 114.554 0.147 0.000 2.915 655 T HA -0.129 4.218 4.350 -0.004 0.000 0.269 655 T C 1.865 176.641 174.700 0.128 0.000 1.071 655 T CA 1.417 63.607 62.100 0.149 0.000 1.132 655 T CB -0.059 68.865 68.868 0.092 0.000 0.878 655 T HN 0.239 nan 8.240 nan 0.000 0.479 656 K N 1.275 121.722 120.400 0.079 0.000 2.444 656 K HA 0.152 4.470 4.320 -0.004 0.000 0.193 656 K C 0.614 177.250 176.600 0.059 0.000 1.024 656 K CA -0.105 56.213 56.287 0.052 0.000 1.077 656 K CB -0.653 31.857 32.500 0.017 0.000 0.833 656 K HN 0.286 nan 8.250 nan 0.000 0.517 657 L N 2.909 124.195 121.223 0.105 0.000 2.462 657 L HA 0.115 4.452 4.340 -0.004 0.000 0.272 657 L C -0.281 176.656 176.870 0.112 0.000 1.166 657 L CA 0.262 55.176 54.840 0.122 0.000 0.880 657 L CB 0.391 42.596 42.059 0.245 0.000 1.142 657 L HN 0.036 nan 8.230 nan 0.000 0.473 658 K N 3.923 124.358 120.400 0.058 0.000 2.218 658 K HA 0.322 4.640 4.320 -0.004 0.000 0.276 658 K C -0.596 176.005 176.600 0.001 0.000 1.022 658 K CA -0.880 55.419 56.287 0.019 0.000 0.946 658 K CB 1.143 33.637 32.500 -0.010 0.000 1.000 658 K HN 0.445 nan 8.250 nan 0.000 0.468 659 V N 2.286 122.180 119.914 -0.034 0.000 2.763 659 V HA 0.161 4.279 4.120 -0.004 0.000 0.306 659 V C 0.926 176.929 176.094 -0.152 0.000 1.059 659 V CA 1.004 63.268 62.300 -0.060 0.000 1.138 659 V CB 0.019 31.799 31.823 -0.071 0.000 0.940 659 V HN 1.082 nan 8.190 nan 0.000 0.489 663 R N 0.064 120.634 120.500 0.117 0.000 2.522 663 R HA 0.520 4.858 4.340 -0.004 0.000 0.283 663 R C -1.645 174.733 176.300 0.131 0.000 1.074 663 R CA -0.905 55.251 56.100 0.094 0.000 0.925 663 R CB 1.712 32.028 30.300 0.027 0.000 1.205 663 R HN 0.731 nan 8.270 nan 0.000 0.436 664 Y N 2.689 123.005 120.300 0.027 0.000 2.346 664 Y HA 0.576 5.124 4.550 -0.003 0.000 0.330 664 Y C -0.138 175.790 175.900 0.045 0.000 1.178 664 Y CA 1.014 59.140 58.100 0.044 0.000 1.331 664 Y CB 1.390 39.907 38.460 0.094 0.000 1.253 664 Y HN 0.742 nan 8.280 nan 0.000 0.529 665 G N 3.497 111.803 108.800 -0.823 0.000 2.692 665 G HA2 0.588 4.546 3.960 -0.004 0.000 0.291 665 G HA3 0.588 4.546 3.960 -0.004 0.000 0.291 665 G C -2.091 172.494 174.900 -0.524 0.000 1.423 665 G CA -0.744 44.032 45.100 -0.540 0.000 0.843 665 G HN 0.719 nan 8.290 nan 0.000 0.486 669 K N 0.609 121.010 120.400 0.002 0.000 2.127 669 K HA 0.566 4.884 4.320 -0.004 0.000 0.240 669 K C 1.136 177.818 176.600 0.137 0.000 1.024 669 K CA 0.152 56.397 56.287 -0.069 0.000 0.918 669 K CB 0.425 32.793 32.500 -0.221 0.000 1.108 669 K HN 0.847 nan 8.250 nan 0.000 0.485 670 A N 1.037 124.006 122.820 0.248 0.000 2.032 670 A HA -0.199 4.118 4.320 -0.004 0.000 0.221 670 A C 1.161 178.762 177.584 0.028 0.000 1.165 670 A CA 2.237 54.375 52.037 0.167 0.000 0.645 670 A CB -0.651 18.481 19.000 0.219 0.000 0.807 670 A HN 0.759 nan 8.150 nan 0.000 0.453 671 D N -1.504 118.910 120.400 0.023 0.000 2.378 671 D HA 0.329 4.967 4.640 -0.004 0.000 0.227 671 D C 1.066 177.339 176.300 -0.044 0.000 1.012 671 D CA 0.899 54.892 54.000 -0.012 0.000 0.905 671 D CB -0.845 39.962 40.800 0.012 0.000 0.895 671 D HN 1.012 nan 8.370 nan 0.000 0.532 675 F N 4.377 124.283 119.950 -0.074 0.000 2.640 675 F HA 0.505 5.030 4.527 -0.003 0.000 0.285 675 F C -0.029 175.700 175.800 -0.117 0.000 1.031 675 F CA 0.693 58.610 58.000 -0.138 0.000 1.240 675 F CB 0.667 39.493 39.000 -0.290 0.000 1.011 675 F HN 0.416 nan 8.300 nan 0.000 0.656 676 D N 0.067 120.123 120.400 -0.575 0.000 2.653 676 D HA 0.262 4.900 4.640 -0.004 0.000 0.258 676 D C -2.117 173.994 176.300 -0.314 0.000 1.252 676 D CA -0.021 53.632 54.000 -0.578 0.000 0.777 676 D CB 2.385 42.560 40.800 -1.042 0.000 1.339 676 D HN 0.240 nan 8.370 nan 0.000 0.422 677 D N -0.387 119.896 120.400 -0.194 0.000 2.665 677 D HA 0.695 5.333 4.640 -0.004 0.000 0.287 677 D C -0.131 176.113 176.300 -0.092 0.000 1.266 677 D CA -0.399 53.518 54.000 -0.139 0.000 0.830 677 D CB 1.287 42.052 40.800 -0.059 0.000 1.356 677 D HN 0.695 nan 8.370 nan 0.000 0.437 678 G N -1.535 107.165 108.800 -0.166 0.000 2.341 678 G HA2 0.449 4.407 3.960 -0.004 0.000 0.293 678 G HA3 0.449 4.407 3.960 -0.004 0.000 0.293 678 G C -1.890 172.978 174.900 -0.054 0.000 1.298 678 G CA -0.380 44.702 45.100 -0.030 0.000 0.868 678 G HN 0.656 nan 8.290 nan 0.000 0.540 679 V N 0.428 120.362 119.914 0.034 0.000 2.472 679 V HA 0.704 4.822 4.120 -0.004 0.000 0.290 679 V C 0.174 176.313 176.094 0.075 0.000 1.037 679 V CA -0.353 61.963 62.300 0.027 0.000 0.908 679 V CB 1.598 33.402 31.823 -0.032 0.000 0.985 679 V HN 0.824 nan 8.190 nan 0.000 0.454 680 T N 6.371 120.961 114.554 0.060 0.000 2.779 680 T HA 0.610 4.957 4.350 -0.004 0.000 0.280 680 T C -0.404 174.414 174.700 0.198 0.000 0.987 680 T CA -0.308 61.859 62.100 0.111 0.000 0.966 680 T CB 0.804 69.613 68.868 -0.098 0.000 0.933 680 T HN 0.352 nan 8.240 nan 0.000 0.442 681 L N 3.090 124.429 121.223 0.194 0.000 2.295 681 L HA 0.564 4.901 4.340 -0.004 0.000 0.285 681 L C 0.654 177.646 176.870 0.203 0.000 1.035 681 L CA -0.925 54.006 54.840 0.152 0.000 0.806 681 L CB 1.273 43.225 42.059 -0.178 0.000 1.214 681 L HN 0.420 nan 8.230 nan 0.000 0.426 682 R N 3.109 123.768 120.500 0.266 0.000 2.235 682 R HA 0.277 4.615 4.340 -0.004 0.000 0.338 682 R C 0.637 176.966 176.300 0.048 0.000 1.087 682 R CA -0.255 55.806 56.100 -0.064 0.000 0.948 682 R CB 0.408 30.665 30.300 -0.072 0.000 1.099 682 R HN 0.750 nan 8.270 nan 0.000 0.483 683 L N 2.629 123.809 121.223 -0.072 0.000 2.240 683 L HA 0.194 4.532 4.340 -0.004 0.000 0.211 683 L C 0.849 177.716 176.870 -0.004 0.000 1.106 683 L CA 0.681 55.562 54.840 0.068 0.000 0.793 683 L CB -0.197 41.848 42.059 -0.024 0.000 0.927 683 L HN 0.657 nan 8.230 nan 0.000 0.446 684 A N -1.282 121.438 122.820 -0.168 0.000 2.564 684 A HA 0.252 4.569 4.320 -0.004 0.000 0.291 684 A C 0.568 178.019 177.584 -0.221 0.000 1.102 684 A CA -0.467 51.489 52.037 -0.135 0.000 0.660 684 A CB 0.703 19.657 19.000 -0.075 0.000 1.283 684 A HN -0.085 nan 8.150 nan 0.000 0.430 685 E N 0.319 120.453 120.200 -0.111 0.000 2.209 685 E HA -0.220 4.127 4.350 -0.004 0.000 0.196 685 E C 0.382 176.960 176.600 -0.036 0.000 0.993 685 E CA 2.057 58.419 56.400 -0.064 0.000 0.819 685 E CB 0.059 29.752 29.700 -0.011 0.000 0.745 685 E HN 0.670 nan 8.360 nan 0.000 0.477 686 D N -1.170 119.204 120.400 -0.043 0.000 2.479 686 D HA 0.090 4.727 4.640 -0.004 0.000 0.218 686 D C -0.040 176.282 176.300 0.037 0.000 1.177 686 D CA -0.268 53.756 54.000 0.040 0.000 0.830 686 D CB 0.010 40.837 40.800 0.044 0.000 1.014 686 D HN -0.061 nan 8.370 nan 0.000 0.503 687 R N -0.201 120.224 120.500 -0.126 0.000 2.628 687 R HA 0.602 4.940 4.340 -0.004 0.000 0.288 687 R C -1.361 174.763 176.300 -0.294 0.000 0.980 687 R CA -0.611 55.445 56.100 -0.075 0.000 0.891 687 R CB 1.724 31.994 30.300 -0.049 0.000 1.188 687 R HN -0.121 nan 8.270 nan 0.000 0.450 688 F N 1.682 121.659 119.950 0.044 0.000 2.599 688 F HA 0.474 4.999 4.527 -0.003 0.000 0.311 688 F C -0.782 175.020 175.800 0.003 0.000 1.076 688 F CA -1.083 56.938 58.000 0.035 0.000 0.937 688 F CB 1.864 40.884 39.000 0.034 0.000 1.282 688 F HN 0.192 nan 8.300 nan 0.000 0.460 689 L N 3.913 125.239 121.223 0.173 0.000 2.353 689 L HA 0.598 4.936 4.340 -0.004 0.000 0.270 689 L C -1.567 175.338 176.870 0.059 0.000 1.003 689 L CA -0.520 54.346 54.840 0.044 0.000 0.862 689 L CB 0.553 42.588 42.059 -0.041 0.000 1.221 689 L HN 0.387 nan 8.230 nan 0.000 0.430 690 L N 4.920 126.154 121.223 0.019 0.000 2.326 690 L HA 0.426 4.763 4.340 -0.004 0.000 0.278 690 L C -0.349 176.463 176.870 -0.097 0.000 1.092 690 L CA 0.034 54.900 54.840 0.043 0.000 0.810 690 L CB 0.775 42.887 42.059 0.088 0.000 1.153 690 L HN 0.505 nan 8.230 nan 0.000 0.439 691 H N 0.240 119.311 119.070 0.002 0.000 2.481 691 H HA 0.637 5.190 4.556 -0.004 0.000 0.333 691 H C -0.123 175.188 175.328 -0.028 0.000 1.066 691 H CA -0.307 55.729 56.048 -0.019 0.000 1.209 691 H CB 1.823 31.563 29.762 -0.037 0.000 1.445 691 H HN 0.568 nan 8.280 nan 0.000 0.488 692 T N 1.016 115.594 114.554 0.039 0.000 2.926 692 T HA 0.360 4.708 4.350 -0.004 0.000 0.289 692 T C -0.057 174.623 174.700 -0.034 0.000 1.054 692 T CA -0.752 61.336 62.100 -0.020 0.000 1.015 692 T CB 0.687 69.524 68.868 -0.051 0.000 1.167 692 T HN 0.767 nan 8.240 nan 0.000 0.526 693 T N 0.621 115.136 114.554 -0.066 0.000 2.903 693 T HA 0.118 4.466 4.350 -0.004 0.000 0.314 693 T C 1.480 176.169 174.700 -0.018 0.000 1.078 693 T CA 0.079 62.149 62.100 -0.050 0.000 1.114 693 T CB 0.140 68.981 68.868 -0.044 0.000 0.987 693 T HN 0.574 nan 8.240 nan 0.000 0.548 694 T N 2.431 116.976 114.554 -0.016 0.000 2.684 694 T HA -0.015 4.333 4.350 -0.004 0.000 0.267 694 T C 2.288 177.054 174.700 0.109 0.000 1.036 694 T CA 1.695 63.798 62.100 0.006 0.000 1.148 694 T CB -0.986 67.836 68.868 -0.076 0.000 0.863 694 T HN 0.876 nan 8.240 nan 0.000 0.436 695 G N 0.437 109.293 108.800 0.093 0.000 2.422 695 G HA2 0.046 4.004 3.960 -0.004 0.000 0.218 695 G HA3 0.046 4.004 3.960 -0.004 0.000 0.218 695 G C 1.474 176.426 174.900 0.088 0.000 1.140 695 G CA 0.774 45.941 45.100 0.111 0.000 0.775 695 G HN 0.579 nan 8.290 nan 0.000 0.545 696 G N 0.189 109.016 108.800 0.045 0.000 3.141 696 G HA2 0.368 4.326 3.960 -0.004 0.000 0.218 696 G HA3 0.368 4.326 3.960 -0.004 0.000 0.218 696 G C 1.644 176.567 174.900 0.038 0.000 1.170 696 G CA 1.108 46.225 45.100 0.029 0.000 0.769 696 G HN 0.511 nan 8.290 nan 0.000 0.546 697 A N 1.735 124.591 122.820 0.059 0.000 1.870 697 A HA -0.014 4.304 4.320 -0.004 0.000 0.219 697 A C 2.822 180.456 177.584 0.083 0.000 1.224 697 A CA 2.727 54.806 52.037 0.069 0.000 0.650 697 A CB -1.083 17.982 19.000 0.109 0.000 0.836 697 A HN 0.889 nan 8.150 nan 0.000 0.454 698 A N -0.640 122.234 122.820 0.090 0.000 1.908 698 A HA -0.218 4.100 4.320 -0.004 0.000 0.218 698 A C 1.795 179.451 177.584 0.119 0.000 1.181 698 A CA 1.987 54.076 52.037 0.086 0.000 0.627 698 A CB -0.722 18.315 19.000 0.063 0.000 0.818 698 A HN 0.562 nan 8.150 nan 0.000 0.445 699 D N -0.250 120.235 120.400 0.141 0.000 2.144 699 D HA -0.101 4.537 4.640 -0.004 0.000 0.199 699 D C 2.095 178.586 176.300 0.319 0.000 0.984 699 D CA 1.461 55.588 54.000 0.211 0.000 0.834 699 D CB -0.365 40.581 40.800 0.243 0.000 0.955 699 D HN 0.256 nan 8.370 nan 0.000 0.465 700 V N 1.304 121.369 119.914 0.252 0.000 2.295 700 V HA -0.217 3.901 4.120 -0.004 0.000 0.246 700 V C 2.513 178.794 176.094 0.311 0.000 1.049 700 V CA 1.052 63.516 62.300 0.274 0.000 1.024 700 V CB -0.479 31.378 31.823 0.056 0.000 0.648 700 V HN 0.125 nan 8.190 nan 0.000 0.447 701 L N 0.549 121.895 121.223 0.205 0.000 2.042 701 L HA -0.185 4.153 4.340 -0.004 0.000 0.210 701 L C 2.074 179.067 176.870 0.205 0.000 1.076 701 L CA 2.080 57.028 54.840 0.181 0.000 0.749 701 L CB -0.944 41.183 42.059 0.114 0.000 0.893 701 L HN 0.323 nan 8.230 nan 0.000 0.432 702 D N -1.251 119.273 120.400 0.208 0.000 2.144 702 D HA -0.261 4.377 4.640 -0.004 0.000 0.200 702 D C 1.879 178.335 176.300 0.259 0.000 0.978 702 D CA 1.294 55.402 54.000 0.181 0.000 0.833 702 D CB -0.459 40.429 40.800 0.147 0.000 0.961 702 D HN 0.627 nan 8.370 nan 0.000 0.470 703 W N 1.683 123.077 121.300 0.156 0.000 2.355 703 W HA -0.152 4.506 4.660 -0.004 0.000 0.309 703 W C 1.777 178.506 176.519 0.351 0.000 1.206 703 W CA 0.704 58.182 57.345 0.222 0.000 1.284 703 W CB -0.264 29.375 29.460 0.299 0.000 1.145 703 W HN -0.040 nan 8.180 nan 0.000 0.502 704 L N 0.611 122.085 121.223 0.418 0.000 2.017 704 L HA -0.247 4.091 4.340 -0.004 0.000 0.208 704 L C 2.716 179.756 176.870 0.285 0.000 1.073 704 L CA 1.431 56.521 54.840 0.416 0.000 0.745 704 L CB -1.132 41.185 42.059 0.432 0.000 0.894 704 L HN -0.103 nan 8.230 nan 0.000 0.432 705 E N 0.118 120.414 120.200 0.160 0.000 2.110 705 E HA -0.264 4.084 4.350 -0.004 0.000 0.193 705 E C 1.984 178.570 176.600 -0.024 0.000 0.988 705 E CA 1.170 57.602 56.400 0.052 0.000 0.804 705 E CB -0.089 29.634 29.700 0.038 0.000 0.745 705 E HN 0.503 nan 8.360 nan 0.000 0.458 706 E N -0.423 119.734 120.200 -0.071 0.000 2.058 706 E HA -0.195 4.153 4.350 -0.004 0.000 0.194 706 E C 1.921 178.272 176.600 -0.415 0.000 0.997 706 E CA 1.241 57.483 56.400 -0.263 0.000 0.801 706 E CB -0.160 29.325 29.700 -0.358 0.000 0.746 706 E HN 0.261 nan 8.360 nan 0.000 0.450 707 W N 0.738 121.806 121.300 -0.387 0.000 2.358 707 W HA -0.093 4.566 4.660 -0.002 0.000 0.303 707 W C 2.238 178.555 176.519 -0.336 0.000 1.208 707 W CA 0.650 57.674 57.345 -0.535 0.000 1.274 707 W CB -0.281 28.845 29.460 -0.557 0.000 1.138 707 W HN 0.138 nan 8.180 nan 0.000 0.515 708 L N -0.382 120.898 121.223 0.095 0.000 2.056 708 L HA -0.226 4.112 4.340 -0.004 0.000 0.207 708 L C 2.431 179.282 176.870 -0.031 0.000 1.078 708 L CA 1.387 56.246 54.840 0.033 0.000 0.749 708 L CB -0.876 41.115 42.059 -0.112 0.000 0.901 708 L HN 0.071 nan 8.230 nan 0.000 0.433 709 Q N -0.956 118.793 119.800 -0.085 0.000 2.163 709 Q HA -0.109 4.229 4.340 -0.004 0.000 0.198 709 Q C 2.112 178.031 176.000 -0.135 0.000 0.954 709 Q CA 1.830 57.576 55.803 -0.095 0.000 0.851 709 Q CB 0.096 28.778 28.738 -0.092 0.000 0.928 709 Q HN 0.602 nan 8.270 nan 0.000 0.459 710 T N -2.695 111.724 114.554 -0.225 0.000 3.014 710 T HA 0.125 4.473 4.350 -0.004 0.000 0.250 710 T C 1.377 175.891 174.700 -0.311 0.000 1.060 710 T CA 0.137 62.077 62.100 -0.266 0.000 1.040 710 T CB 0.391 69.054 68.868 -0.342 0.000 0.971 710 T HN -0.013 nan 8.240 nan 0.000 0.497 711 E N -0.152 119.810 120.200 -0.397 0.000 2.354 711 E HA 0.165 4.513 4.350 -0.004 0.000 0.203 711 E C -0.059 176.375 176.600 -0.278 0.000 0.841 711 E CA 0.320 56.426 56.400 -0.491 0.000 1.046 711 E CB 0.496 29.641 29.700 -0.924 0.000 1.040 711 E HN 0.582 nan 8.360 nan 0.000 0.504 712 W N 3.510 124.856 121.300 0.076 0.000 1.759 712 W HA 0.317 4.976 4.660 -0.002 0.000 0.291 712 W C -1.995 174.524 176.519 -0.001 0.000 0.855 712 W CA -2.126 55.254 57.345 0.058 0.000 2.167 712 W CB 0.368 29.895 29.460 0.113 0.000 2.351 712 W HN -0.003 nan 8.180 nan 0.000 0.423 713 P HA -0.137 nan 4.420 nan 0.000 0.234 713 P C 0.952 178.288 177.300 0.060 0.000 1.167 713 P CA 1.367 64.502 63.100 0.058 0.000 0.763 713 P CB 0.200 31.911 31.700 0.017 0.000 0.835 714 D N -0.762 119.697 120.400 0.098 0.000 2.354 714 D HA -0.007 4.631 4.640 -0.004 0.000 0.209 714 D C 0.796 177.125 176.300 0.049 0.000 1.015 714 D CA -0.002 54.038 54.000 0.066 0.000 0.867 714 D CB -0.470 40.374 40.800 0.073 0.000 0.933 714 D HN 0.220 nan 8.370 nan 0.000 0.520 715 L N 1.472 122.732 121.223 0.062 0.000 2.331 715 L HA 0.138 4.476 4.340 -0.004 0.000 0.278 715 L C 0.189 177.045 176.870 -0.023 0.000 1.106 715 L CA -0.505 54.343 54.840 0.013 0.000 0.824 715 L CB 0.892 42.957 42.059 0.010 0.000 1.142 715 L HN -0.176 nan 8.230 nan 0.000 0.443 716 D N 3.751 124.140 120.400 -0.018 0.000 2.483 716 D HA 0.341 4.979 4.640 -0.004 0.000 0.220 716 D C -1.042 175.238 176.300 -0.033 0.000 1.173 716 D CA -0.013 53.976 54.000 -0.018 0.000 0.964 716 D CB 0.349 41.151 40.800 0.003 0.000 1.046 716 D HN 0.085 nan 8.370 nan 0.000 0.517 717 V N 2.814 122.678 119.914 -0.083 0.000 2.711 717 V HA 0.431 4.548 4.120 -0.004 0.000 0.304 717 V C -0.013 176.016 176.094 -0.108 0.000 1.097 717 V CA -0.859 61.374 62.300 -0.111 0.000 0.906 717 V CB 2.173 33.819 31.823 -0.295 0.000 1.015 717 V HN 0.389 nan 8.190 nan 0.000 0.427 718 T N 3.186 117.712 114.554 -0.045 0.000 2.841 718 T HA 0.563 4.910 4.350 -0.004 0.000 0.283 718 T C -0.559 174.139 174.700 -0.004 0.000 1.000 718 T CA -0.336 61.746 62.100 -0.030 0.000 0.977 718 T CB 1.357 70.220 68.868 -0.010 0.000 0.979 718 T HN 0.758 nan 8.240 nan 0.000 0.446 719 C N 2.472 121.772 119.300 -0.000 0.000 2.456 719 C HA 0.888 5.346 4.460 -0.004 0.000 0.325 719 C C 0.266 175.271 174.990 0.025 0.000 1.217 719 C CA -0.673 58.363 59.018 0.031 0.000 1.687 719 C CB 1.271 29.043 27.740 0.054 0.000 2.270 719 C HN 0.909 nan 8.230 nan 0.000 0.499 720 T N 1.210 115.780 114.554 0.027 0.000 2.971 720 T HA 0.332 4.680 4.350 -0.004 0.000 0.304 720 T C -0.495 174.211 174.700 0.010 0.000 1.038 720 T CA -0.237 61.872 62.100 0.014 0.000 1.007 720 T CB 1.689 70.560 68.868 0.005 0.000 1.055 720 T HN 0.708 nan 8.240 nan 0.000 0.451 721 S N 1.534 117.239 115.700 0.008 0.000 2.528 721 S HA 0.353 4.821 4.470 -0.004 0.000 0.277 721 S C 0.990 175.581 174.600 -0.014 0.000 1.297 721 S CA -0.468 57.734 58.200 0.003 0.000 1.052 721 S CB 0.106 63.314 63.200 0.013 0.000 0.917 721 S HN 0.737 nan 8.310 nan 0.000 0.492 722 V N 2.612 122.509 119.914 -0.028 0.000 3.252 722 V HA 0.255 4.373 4.120 -0.004 0.000 0.320 722 V C 1.437 177.509 176.094 -0.036 0.000 1.459 722 V CA 0.223 62.498 62.300 -0.042 0.000 1.095 722 V CB -0.665 31.123 31.823 -0.057 0.000 0.997 722 V HN 0.743 nan 8.190 nan 0.000 0.469 723 T N 1.441 115.988 114.554 -0.012 0.000 2.624 723 T HA -0.210 4.138 4.350 -0.004 0.000 0.268 723 T C 1.577 176.311 174.700 0.056 0.000 1.041 723 T CA 2.605 64.721 62.100 0.026 0.000 1.159 723 T CB -0.216 68.700 68.868 0.080 0.000 0.863 723 T HN 0.675 nan 8.240 nan 0.000 0.434 724 E N 0.333 120.563 120.200 0.050 0.000 2.478 724 E HA -0.003 4.345 4.350 -0.004 0.000 0.194 724 E C 2.126 178.712 176.600 -0.024 0.000 1.045 724 E CA 0.197 56.628 56.400 0.052 0.000 0.868 724 E CB 0.017 29.738 29.700 0.034 0.000 0.885 724 E HN 0.409 nan 8.360 nan 0.000 0.505 725 Q N 0.644 120.410 119.800 -0.058 0.000 2.331 725 Q HA 0.034 4.372 4.340 -0.004 0.000 0.203 725 Q C 0.240 176.169 176.000 -0.120 0.000 0.944 725 Q CA 0.674 56.402 55.803 -0.125 0.000 0.892 725 Q CB 0.311 28.981 28.738 -0.113 0.000 0.983 725 Q HN 0.119 nan 8.270 nan 0.000 0.482 726 L N 0.741 121.932 121.223 -0.054 0.000 2.365 726 L HA 0.806 5.144 4.340 -0.004 0.000 0.273 726 L C -0.797 176.082 176.870 0.015 0.000 1.000 726 L CA -1.086 53.742 54.840 -0.020 0.000 0.819 726 L CB 2.006 44.061 42.059 -0.006 0.000 1.284 726 L HN -0.011 nan 8.230 nan 0.000 0.418 727 A N 1.637 124.482 122.820 0.041 0.000 2.340 727 A HA 0.904 5.222 4.320 -0.004 0.000 0.331 727 A C -0.509 177.126 177.584 0.085 0.000 1.140 727 A CA -0.414 51.661 52.037 0.064 0.000 0.801 727 A CB 1.402 20.454 19.000 0.087 0.000 1.234 727 A HN 0.631 nan 8.150 nan 0.000 0.469 728 T N 1.083 115.690 114.554 0.088 0.000 2.921 728 T HA 0.524 4.871 4.350 -0.004 0.000 0.297 728 T C -0.971 173.817 174.700 0.148 0.000 1.013 728 T CA -0.368 61.795 62.100 0.104 0.000 0.990 728 T CB 1.471 70.386 68.868 0.079 0.000 1.023 728 T HN 0.487 nan 8.240 nan 0.000 0.447 729 V N 2.475 122.481 119.914 0.153 0.000 2.357 729 V HA 0.704 4.822 4.120 -0.004 0.000 0.284 729 V C 0.210 176.354 176.094 0.083 0.000 1.018 729 V CA -0.946 61.455 62.300 0.169 0.000 0.841 729 V CB 1.209 33.105 31.823 0.121 0.000 0.991 729 V HN 1.102 nan 8.190 nan 0.000 0.437 730 A N 5.278 128.141 122.820 0.072 0.000 2.269 730 A HA 0.693 5.011 4.320 -0.004 0.000 0.302 730 A C -0.352 177.259 177.584 0.045 0.000 1.266 730 A CA -0.357 51.718 52.037 0.063 0.000 0.894 730 A CB 0.595 19.637 19.000 0.071 0.000 1.147 730 A HN 0.688 nan 8.150 nan 0.000 0.537 731 V N 4.598 124.554 119.914 0.069 0.000 2.318 731 V HA 0.367 4.485 4.120 -0.004 0.000 0.271 731 V C -0.140 176.025 176.094 0.118 0.000 1.030 731 V CA -0.319 62.019 62.300 0.064 0.000 0.844 731 V CB 0.811 32.664 31.823 0.050 0.000 1.015 731 V HN 0.608 nan 8.190 nan 0.000 0.460 732 V N 3.548 123.540 119.914 0.131 0.000 2.628 732 V HA 1.045 5.163 4.120 -0.004 0.000 0.306 732 V C 0.468 176.593 176.094 0.051 0.000 1.045 732 V CA 0.076 62.441 62.300 0.109 0.000 0.905 732 V CB 1.411 33.344 31.823 0.184 0.000 0.997 732 V HN 1.199 nan 8.190 nan 0.000 0.436 733 G N 4.550 113.356 108.800 0.009 0.000 2.362 733 G HA2 0.093 4.051 3.960 -0.004 0.000 0.656 733 G HA3 0.093 4.051 3.960 -0.004 0.000 0.656 733 G C -2.392 172.485 174.900 -0.039 0.000 1.376 733 G CA -0.119 44.964 45.100 -0.027 0.000 0.971 733 G HN 0.480 nan 8.290 nan 0.000 0.636 734 P HA -0.132 nan 4.420 nan 0.000 0.218 734 P C 1.202 178.438 177.300 -0.107 0.000 1.146 734 P CA 1.001 64.061 63.100 -0.066 0.000 0.813 734 P CB 0.179 31.841 31.700 -0.063 0.000 0.778 735 R N 0.005 120.406 120.500 -0.166 0.000 2.334 735 R HA 0.129 4.467 4.340 -0.004 0.000 0.220 735 R C 2.202 178.308 176.300 -0.324 0.000 0.917 735 R CA 0.484 56.372 56.100 -0.353 0.000 1.073 735 R CB -0.805 29.170 30.300 -0.542 0.000 1.056 735 R HN 0.340 nan 8.270 nan 0.000 0.506 736 S N 0.493 116.131 115.700 -0.104 0.000 2.382 736 S HA -0.203 4.265 4.470 -0.004 0.000 0.228 736 S C 2.056 176.629 174.600 -0.045 0.000 1.027 736 S CA 0.906 59.113 58.200 0.011 0.000 0.991 736 S CB -0.198 63.122 63.200 0.201 0.000 0.823 736 S HN 0.309 nan 8.310 nan 0.000 0.469 737 R N 1.622 122.132 120.500 0.017 0.000 2.083 737 R HA -0.145 4.192 4.340 -0.004 0.000 0.237 737 R C 1.549 177.689 176.300 -0.266 0.000 1.137 737 R CA 2.034 58.030 56.100 -0.173 0.000 0.951 737 R CB -0.574 29.737 30.300 0.018 0.000 0.851 737 R HN 0.458 nan 8.270 nan 0.000 0.434 738 D N -0.109 120.131 120.400 -0.266 0.000 2.178 738 D HA -0.120 4.518 4.640 -0.004 0.000 0.201 738 D C 1.946 178.168 176.300 -0.130 0.000 0.980 738 D CA 1.199 55.048 54.000 -0.252 0.000 0.842 738 D CB 0.066 40.558 40.800 -0.512 0.000 0.948 738 D HN 0.162 nan 8.370 nan 0.000 0.472 739 V N 1.874 121.686 119.914 -0.170 0.000 2.307 739 V HA -0.201 3.917 4.120 -0.004 0.000 0.245 739 V C 2.527 178.572 176.094 -0.082 0.000 1.045 739 V CA 0.893 63.190 62.300 -0.006 0.000 1.024 739 V CB -0.215 31.597 31.823 -0.019 0.000 0.651 739 V HN 0.147 nan 8.190 nan 0.000 0.449 740 I N 0.911 121.352 120.570 -0.214 0.000 2.208 740 I HA -0.250 3.918 4.170 -0.004 0.000 0.245 740 I C 2.736 178.748 176.117 -0.176 0.000 1.097 740 I CA 2.023 63.161 61.300 -0.269 0.000 1.363 740 I CB -1.723 35.907 38.000 -0.616 0.000 1.051 740 I HN 0.319 nan 8.210 nan 0.000 0.413 741 A N 0.746 123.468 122.820 -0.163 0.000 1.978 741 A HA -0.226 4.091 4.320 -0.004 0.000 0.220 741 A C 2.299 179.860 177.584 -0.037 0.000 1.170 741 A CA 1.632 53.618 52.037 -0.086 0.000 0.636 741 A CB -0.535 18.426 19.000 -0.065 0.000 0.810 741 A HN 0.421 nan 8.150 nan 0.000 0.448 742 K N -0.656 119.735 120.400 -0.016 0.000 2.366 742 K HA 0.160 4.478 4.320 -0.004 0.000 0.198 742 K C 1.497 178.089 176.600 -0.013 0.000 1.044 742 K CA 0.641 56.930 56.287 0.003 0.000 0.973 742 K CB -0.131 32.390 32.500 0.034 0.000 0.767 742 K HN 0.477 nan 8.250 nan 0.000 0.475 743 L N -0.190 121.015 121.223 -0.028 0.000 2.249 743 L HA 0.103 4.441 4.340 -0.004 0.000 0.207 743 L C 0.714 177.572 176.870 -0.020 0.000 1.090 743 L CA 0.004 54.829 54.840 -0.026 0.000 0.802 743 L CB 0.262 42.300 42.059 -0.035 0.000 0.947 743 L HN -0.033 nan 8.230 nan 0.000 0.453 744 A N -0.532 122.272 122.820 -0.026 0.000 2.702 744 A HA 0.353 4.670 4.320 -0.004 0.000 0.305 744 A C 0.893 178.469 177.584 -0.014 0.000 1.213 744 A CA -0.313 51.716 52.037 -0.014 0.000 0.745 744 A CB 0.516 19.513 19.000 -0.005 0.000 1.161 744 A HN 0.179 nan 8.150 nan 0.000 0.445 745 S N 0.720 116.414 115.700 -0.009 0.000 2.584 745 S HA -0.049 4.419 4.470 -0.004 0.000 0.240 745 S C 0.954 175.552 174.600 -0.003 0.000 0.975 745 S CA 1.481 59.677 58.200 -0.007 0.000 0.949 745 S CB -0.228 62.970 63.200 -0.004 0.000 0.761 745 S HN 1.286 nan 8.310 nan 0.000 0.536 746 T N 0.316 114.869 114.554 -0.001 0.000 3.697 746 T HA 0.496 4.844 4.350 -0.004 0.000 0.260 746 T C -0.814 173.888 174.700 0.004 0.000 0.998 746 T CA -0.434 61.666 62.100 0.001 0.000 1.128 746 T CB -0.059 68.808 68.868 -0.000 0.000 1.082 746 T HN 0.075 nan 8.240 nan 0.000 0.541 747 V N 2.106 122.027 119.914 0.011 0.000 2.483 747 V HA 0.425 4.543 4.120 -0.004 0.000 0.297 747 V C -0.440 175.683 176.094 0.048 0.000 1.027 747 V CA -1.066 61.250 62.300 0.028 0.000 0.855 747 V CB 1.711 33.564 31.823 0.050 0.000 0.995 747 V HN 0.509 nan 8.190 nan 0.000 0.424 748 D N 3.905 124.336 120.400 0.051 0.000 2.346 748 D HA 0.053 4.691 4.640 -0.004 0.000 0.267 748 D C 0.849 177.254 176.300 0.174 0.000 1.320 748 D CA 0.147 54.191 54.000 0.074 0.000 0.951 748 D CB 1.409 42.239 40.800 0.050 0.000 1.079 748 D HN 0.454 nan 8.370 nan 0.000 0.509 749 V N 1.729 121.722 119.914 0.133 0.000 3.444 749 V HA 0.177 4.295 4.120 -0.004 0.000 0.308 749 V C 0.782 176.959 176.094 0.137 0.000 1.371 749 V CA -0.140 62.246 62.300 0.144 0.000 1.141 749 V CB -0.954 30.804 31.823 -0.109 0.000 1.037 749 V HN 0.440 nan 8.190 nan 0.000 0.433 750 S N 0.222 116.002 115.700 0.132 0.000 2.579 750 S HA 0.094 4.562 4.470 -0.004 0.000 0.275 750 S C 1.158 175.846 174.600 0.147 0.000 1.345 750 S CA 0.352 58.614 58.200 0.103 0.000 1.031 750 S CB 0.606 63.848 63.200 0.070 0.000 0.892 750 S HN 0.553 nan 8.310 nan 0.000 0.529 751 N N 1.060 119.824 118.700 0.106 0.000 2.272 751 N HA -0.219 4.519 4.740 -0.004 0.000 0.185 751 N C 1.576 177.152 175.510 0.110 0.000 1.014 751 N CA 1.656 54.769 53.050 0.106 0.000 0.870 751 N CB -0.129 38.390 38.487 0.053 0.000 0.975 751 N HN 0.910 nan 8.380 nan 0.000 0.433 752 E N -0.659 119.592 120.200 0.086 0.000 2.112 752 E HA -0.022 4.326 4.350 -0.004 0.000 0.190 752 E C 1.768 178.416 176.600 0.081 0.000 0.979 752 E CA 1.017 57.458 56.400 0.068 0.000 0.814 752 E CB -0.227 29.497 29.700 0.041 0.000 0.762 752 E HN 0.375 nan 8.360 nan 0.000 0.460 753 G N -0.536 108.326 108.800 0.103 0.000 2.683 753 G HA2 -0.030 3.928 3.960 -0.004 0.000 0.213 753 G HA3 -0.030 3.928 3.960 -0.004 0.000 0.213 753 G C 0.131 175.118 174.900 0.145 0.000 1.142 753 G CA -0.271 44.883 45.100 0.090 0.000 0.793 753 G HN 0.269 nan 8.290 nan 0.000 0.534 754 F N 1.574 121.561 119.950 0.061 0.000 2.824 754 F HA 0.449 4.974 4.527 -0.004 0.000 0.375 754 F C 0.142 176.003 175.800 0.101 0.000 1.190 754 F CA -1.182 56.875 58.000 0.094 0.000 1.180 754 F CB 0.886 39.988 39.000 0.169 0.000 1.477 754 F HN -0.195 nan 8.300 nan 0.000 0.542 755 K N 2.946 123.573 120.400 0.379 0.000 2.149 755 K HA 0.134 4.452 4.320 -0.004 0.000 0.245 755 K C 0.078 176.840 176.600 0.269 0.000 1.024 755 K CA -0.511 55.932 56.287 0.260 0.000 0.899 755 K CB 0.826 33.419 32.500 0.157 0.000 1.038 755 K HN 0.451 nan 8.250 nan 0.000 0.496 759 F N -0.823 119.164 119.950 0.063 0.000 2.626 759 F HA 0.925 5.450 4.527 -0.004 0.000 0.311 759 F C -0.807 174.922 175.800 -0.118 0.000 1.088 759 F CA -0.933 57.118 58.000 0.085 0.000 0.949 759 F CB 1.704 40.753 39.000 0.081 0.000 1.322 759 F HN 0.581 nan 8.300 nan 0.000 0.461 760 K N 1.370 121.863 120.400 0.154 0.000 2.523 760 K HA 0.283 4.601 4.320 -0.004 0.000 0.257 760 K C -2.006 174.691 176.600 0.161 0.000 0.932 760 K CA -0.946 55.316 56.287 -0.043 0.000 0.812 760 K CB 2.433 34.707 32.500 -0.378 0.000 1.326 760 K HN 0.607 nan 8.250 nan 0.000 0.433 761 D N 2.920 123.397 120.400 0.128 0.000 2.313 761 D HA 0.224 4.862 4.640 -0.004 0.000 0.239 761 D C -0.293 176.043 176.300 0.060 0.000 1.142 761 D CA -0.019 54.053 54.000 0.120 0.000 0.847 761 D CB 1.561 42.430 40.800 0.116 0.000 1.082 761 D HN 0.312 nan 8.370 nan 0.000 0.480 762 V N -0.037 119.917 119.914 0.066 0.000 3.126 762 V HA 0.682 4.799 4.120 -0.004 0.000 0.314 762 V C -0.543 175.573 176.094 0.036 0.000 1.138 762 V CA -0.791 61.535 62.300 0.043 0.000 1.034 762 V CB 2.143 33.997 31.823 0.052 0.000 1.075 762 V HN 0.126 nan 8.190 nan 0.000 0.442 763 V N 3.001 122.928 119.914 0.021 0.000 2.378 763 V HA 0.453 4.571 4.120 -0.004 0.000 0.288 763 V C 0.135 176.232 176.094 0.005 0.000 1.016 763 V CA -0.441 61.866 62.300 0.011 0.000 0.840 763 V CB 1.086 32.913 31.823 0.008 0.000 0.994 763 V HN 0.803 nan 8.190 nan 0.000 0.431 764 L N 3.141 124.362 121.223 -0.002 0.000 2.464 764 L HA 0.293 4.631 4.340 -0.004 0.000 0.264 764 L C 1.334 178.199 176.870 -0.009 0.000 1.199 764 L CA -0.434 54.403 54.840 -0.005 0.000 0.818 764 L CB 0.386 42.438 42.059 -0.010 0.000 1.102 764 L HN 0.581 nan 8.230 nan 0.000 0.473 765 D N 0.003 120.399 120.400 -0.006 0.000 2.309 765 D HA -0.132 4.506 4.640 -0.004 0.000 0.212 765 D C 1.990 178.287 176.300 -0.005 0.000 0.968 765 D CA 1.507 55.504 54.000 -0.004 0.000 0.882 765 D CB 0.098 40.896 40.800 -0.003 0.000 0.918 765 D HN 0.682 nan 8.370 nan 0.000 0.503 766 S N -0.836 114.859 115.700 -0.008 0.000 2.481 766 S HA 0.136 4.604 4.470 -0.004 0.000 0.231 766 S C 1.849 176.439 174.600 -0.018 0.000 0.996 766 S CA 0.970 59.166 58.200 -0.008 0.000 0.942 766 S CB 0.336 63.532 63.200 -0.007 0.000 0.768 766 S HN 0.333 nan 8.310 nan 0.000 0.520 767 G N 0.925 109.710 108.800 -0.025 0.000 2.232 767 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.226 767 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.226 767 G C 0.062 174.926 174.900 -0.060 0.000 0.996 767 G CA -0.127 44.957 45.100 -0.027 0.000 0.626 767 G HN 0.548 nan 8.290 nan 0.000 0.509 768 I N 2.319 122.822 120.570 -0.111 0.000 2.598 768 I HA 0.152 4.319 4.170 -0.004 0.000 0.284 768 I C 0.623 176.678 176.117 -0.102 0.000 1.140 768 I CA 0.282 61.450 61.300 -0.221 0.000 1.420 768 I CB 0.513 38.340 38.000 -0.288 0.000 1.387 768 I HN 0.197 nan 8.210 nan 0.000 0.553 769 E N 5.942 126.101 120.200 -0.068 0.000 2.259 769 E HA 0.583 4.931 4.350 -0.004 0.000 0.281 769 E C -0.464 176.156 176.600 0.033 0.000 1.037 769 E CA -0.426 55.979 56.400 0.008 0.000 0.854 769 E CB 1.393 31.119 29.700 0.044 0.000 1.051 769 E HN 0.704 nan 8.360 nan 0.000 0.409 770 A N 3.575 126.425 122.820 0.049 0.000 2.594 770 A HA 0.587 4.905 4.320 -0.004 0.000 0.291 770 A C -1.055 176.586 177.584 0.095 0.000 1.105 770 A CA -0.789 51.291 52.037 0.073 0.000 0.694 770 A CB 1.745 20.787 19.000 0.070 0.000 1.291 770 A HN 0.588 nan 8.150 nan 0.000 0.410 771 R N 1.341 121.904 120.500 0.106 0.000 2.343 771 R HA 0.650 4.987 4.340 -0.004 0.000 0.320 771 R C -1.595 174.814 176.300 0.182 0.000 0.956 771 R CA -0.407 55.776 56.100 0.139 0.000 0.836 771 R CB 0.538 30.880 30.300 0.070 0.000 1.151 771 R HN 0.661 nan 8.270 nan 0.000 0.450 772 I N 3.116 123.853 120.570 0.277 0.000 2.339 772 I HA 0.240 4.408 4.170 -0.004 0.000 0.290 772 I C -0.364 176.073 176.117 0.534 0.000 0.994 772 I CA -0.462 61.061 61.300 0.371 0.000 1.191 772 I CB 2.078 40.336 38.000 0.430 0.000 1.343 772 I HN 0.533 nan 8.210 nan 0.000 0.458 773 S N 5.745 121.673 115.700 0.380 0.000 2.473 773 S HA 0.443 4.911 4.470 -0.004 0.000 0.307 773 S C 0.006 174.700 174.600 0.156 0.000 1.094 773 S CA -0.852 57.551 58.200 0.339 0.000 1.070 773 S CB 1.724 65.014 63.200 0.149 0.000 1.019 773 S HN 0.491 nan 8.310 nan 0.000 0.480 774 R N 2.302 122.859 120.500 0.094 0.000 3.701 774 R HA 0.336 4.674 4.340 -0.004 0.000 0.210 774 R C -1.024 175.157 176.300 -0.199 0.000 1.598 774 R CA 0.083 56.022 56.100 -0.270 0.000 1.427 774 R CB -0.474 29.630 30.300 -0.327 0.000 1.339 774 R HN 0.487 nan 8.270 nan 0.000 0.720 775 I N 0.152 120.634 120.570 -0.147 0.000 2.465 775 I HA 0.163 4.330 4.170 -0.004 0.000 0.291 775 I C -0.220 175.872 176.117 -0.043 0.000 1.014 775 I CA -0.206 61.026 61.300 -0.113 0.000 1.093 775 I CB 2.189 40.123 38.000 -0.110 0.000 1.267 775 I HN 0.160 nan 8.210 nan 0.000 0.431 776 S N 4.874 120.590 115.700 0.026 0.000 2.542 776 S HA 0.542 5.009 4.470 -0.004 0.000 0.293 776 S C -0.565 174.156 174.600 0.201 0.000 1.089 776 S CA -0.300 57.968 58.200 0.112 0.000 0.961 776 S CB 1.026 64.296 63.200 0.115 0.000 1.062 776 S HN 0.466 nan 8.310 nan 0.000 0.483 777 F N 3.509 123.502 119.950 0.073 0.000 2.764 777 F HA 0.372 4.897 4.527 -0.004 0.000 0.310 777 F C 1.162 177.168 175.800 0.344 0.000 1.124 777 F CA -0.010 58.054 58.000 0.106 0.000 1.252 777 F CB 0.412 39.464 39.000 0.088 0.000 1.010 777 F HN 0.616 nan 8.300 nan 0.000 0.518 778 S N -2.384 113.493 115.700 0.295 0.000 2.817 778 S HA 0.396 4.864 4.470 -0.004 0.000 0.262 778 S C 1.473 176.127 174.600 0.090 0.000 1.051 778 S CA 0.244 58.523 58.200 0.131 0.000 1.185 778 S CB 0.337 63.581 63.200 0.073 0.000 1.152 778 S HN 0.659 nan 8.310 nan 0.000 0.653 779 G N 1.193 110.110 108.800 0.194 0.000 2.179 779 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.260 779 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.260 779 G C -0.130 174.800 174.900 0.050 0.000 0.977 779 G CA 0.461 45.627 45.100 0.111 0.000 0.641 779 G HN 0.531 nan 8.290 nan 0.000 0.533 780 E N -0.587 119.639 120.200 0.043 0.000 2.239 780 E HA 0.589 4.937 4.350 -0.004 0.000 0.261 780 E C 0.421 177.010 176.600 -0.017 0.000 1.016 780 E CA -1.129 55.273 56.400 0.003 0.000 0.882 780 E CB 1.510 31.203 29.700 -0.011 0.000 1.190 780 E HN 0.320 nan 8.360 nan 0.000 0.415 781 L N 1.127 122.318 121.223 -0.053 0.000 2.485 781 L HA 0.303 4.641 4.340 -0.004 0.000 0.275 781 L C -0.672 176.114 176.870 -0.139 0.000 1.207 781 L CA 0.477 55.247 54.840 -0.116 0.000 0.855 781 L CB 0.133 42.136 42.059 -0.093 0.000 1.114 781 L HN 0.536 nan 8.230 nan 0.000 0.485 782 A N 4.392 127.023 122.820 -0.316 0.000 2.566 782 A HA 0.730 5.047 4.320 -0.004 0.000 0.297 782 A C -1.633 175.615 177.584 -0.560 0.000 1.059 782 A CA -0.470 51.417 52.037 -0.249 0.000 0.691 782 A CB 0.741 19.704 19.000 -0.062 0.000 1.282 782 A HN 0.515 nan 8.150 nan 0.000 0.401 783 F N 0.822 120.733 119.950 -0.064 0.000 2.518 783 F HA 0.466 4.991 4.527 -0.004 0.000 0.323 783 F C 0.326 176.112 175.800 -0.024 0.000 1.129 783 F CA -0.120 57.828 58.000 -0.087 0.000 0.920 783 F CB 2.422 41.338 39.000 -0.140 0.000 1.160 783 F HN 0.585 nan 8.300 nan 0.000 0.440 784 E N 4.377 124.667 120.200 0.150 0.000 2.133 784 E HA 0.464 4.812 4.350 -0.004 0.000 0.274 784 E C -0.785 175.896 176.600 0.136 0.000 0.930 784 E CA -0.502 55.964 56.400 0.109 0.000 0.770 784 E CB 1.991 31.718 29.700 0.045 0.000 1.104 784 E HN 0.488 nan 8.360 nan 0.000 0.403 785 I N 2.884 123.525 120.570 0.117 0.000 2.306 785 I HA 0.296 4.463 4.170 -0.004 0.000 0.288 785 I C -0.044 176.137 176.117 0.106 0.000 1.036 785 I CA -0.474 60.895 61.300 0.114 0.000 1.221 785 I CB 1.060 39.113 38.000 0.088 0.000 1.385 785 I HN 0.414 nan 8.210 nan 0.000 0.472 786 A N 7.362 130.244 122.820 0.104 0.000 2.276 786 A HA 0.799 5.117 4.320 -0.004 0.000 0.316 786 A C -0.266 177.374 177.584 0.092 0.000 1.229 786 A CA -0.423 51.670 52.037 0.094 0.000 0.851 786 A CB 0.969 20.022 19.000 0.087 0.000 1.165 786 A HN 0.597 nan 8.150 nan 0.000 0.513 787 V N -0.351 119.625 119.914 0.102 0.000 3.159 787 V HA 0.737 4.855 4.120 -0.004 0.000 0.308 787 V C -3.189 172.975 176.094 0.117 0.000 1.190 787 V CA -2.873 59.505 62.300 0.130 0.000 1.037 787 V CB 1.539 33.469 31.823 0.178 0.000 1.060 787 V HN 0.574 nan 8.190 nan 0.000 0.437 788 P HA 0.153 nan 4.420 nan 0.000 0.264 788 P C 0.940 178.186 177.300 -0.090 0.000 1.183 788 P CA 1.064 64.121 63.100 -0.072 0.000 0.763 788 P CB 0.788 32.438 31.700 -0.083 0.000 0.807 789 A N 4.648 127.347 122.820 -0.202 0.000 1.915 789 A HA -0.207 4.111 4.320 -0.004 0.000 0.220 789 A C 1.491 179.102 177.584 0.045 0.000 1.198 789 A CA 2.291 54.282 52.037 -0.077 0.000 0.647 789 A CB -1.855 17.083 19.000 -0.104 0.000 0.825 789 A HN 0.818 nan 8.150 nan 0.000 0.456 790 W N -1.352 119.913 121.300 -0.058 0.000 2.848 790 W HA 0.036 4.694 4.660 -0.003 0.000 0.241 790 W C 1.026 177.462 176.519 -0.138 0.000 1.289 790 W CA 0.600 57.876 57.345 -0.115 0.000 1.396 790 W CB -1.224 28.130 29.460 -0.178 0.000 1.138 790 W HN 0.468 nan 8.180 nan 0.000 0.677 791 H N -0.200 119.140 119.070 0.449 0.000 2.622 791 H HA 0.272 4.826 4.556 -0.004 0.000 0.269 791 H C 2.167 177.608 175.328 0.188 0.000 0.977 791 H CA 0.556 56.778 56.048 0.289 0.000 1.179 791 H CB -0.376 29.551 29.762 0.275 0.000 1.458 791 H HN 0.320 nan 8.280 nan 0.000 0.531 792 G N 1.742 110.701 108.800 0.264 0.000 2.553 792 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.218 792 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.218 792 G C 1.760 176.766 174.900 0.176 0.000 1.195 792 G CA 0.952 46.166 45.100 0.190 0.000 0.779 792 G HN 0.313 nan 8.290 nan 0.000 0.577 793 L N 0.736 122.044 121.223 0.143 0.000 2.012 793 L HA -0.006 4.332 4.340 -0.004 0.000 0.210 793 L C 2.775 179.746 176.870 0.167 0.000 1.073 793 L CA 2.417 57.330 54.840 0.121 0.000 0.748 793 L CB -0.697 41.429 42.059 0.111 0.000 0.891 793 L HN 0.252 nan 8.230 nan 0.000 0.431 794 R N -0.554 120.051 120.500 0.176 0.000 2.083 794 R HA -0.139 4.199 4.340 -0.004 0.000 0.237 794 R C 2.049 178.431 176.300 0.137 0.000 1.137 794 R CA 2.381 58.577 56.100 0.160 0.000 0.951 794 R CB -1.232 29.171 30.300 0.173 0.000 0.851 794 R HN 0.311 nan 8.270 nan 0.000 0.434 795 V N 0.137 120.140 119.914 0.148 0.000 2.343 795 V HA -0.243 3.875 4.120 -0.004 0.000 0.247 795 V C 2.145 178.287 176.094 0.079 0.000 1.051 795 V CA 1.837 64.199 62.300 0.105 0.000 1.036 795 V CB -0.792 31.103 31.823 0.120 0.000 0.654 795 V HN 0.500 nan 8.190 nan 0.000 0.451 796 W N 1.419 122.663 121.300 -0.094 0.000 2.355 796 W HA -0.174 4.484 4.660 -0.004 0.000 0.309 796 W C 2.291 178.648 176.519 -0.270 0.000 1.206 796 W CA 2.136 59.338 57.345 -0.239 0.000 1.284 796 W CB -0.197 29.038 29.460 -0.376 0.000 1.145 796 W HN 0.392 nan 8.180 nan 0.000 0.502 797 E N 0.148 120.384 120.200 0.060 0.000 2.058 797 E HA -0.253 4.095 4.350 -0.004 0.000 0.194 797 E C 1.632 178.275 176.600 0.072 0.000 0.997 797 E CA 1.831 58.289 56.400 0.098 0.000 0.801 797 E CB -0.425 29.391 29.700 0.193 0.000 0.746 797 E HN 0.113 nan 8.360 nan 0.000 0.450 798 D N 0.210 120.632 120.400 0.038 0.000 2.178 798 D HA -0.111 4.527 4.640 -0.004 0.000 0.201 798 D C 2.035 178.311 176.300 -0.040 0.000 0.980 798 D CA 0.661 54.670 54.000 0.014 0.000 0.842 798 D CB -0.116 40.694 40.800 0.016 0.000 0.948 798 D HN 0.023 nan 8.370 nan 0.000 0.472 799 V N 0.445 120.292 119.914 -0.112 0.000 2.323 799 V HA -0.245 3.873 4.120 -0.004 0.000 0.244 799 V C 2.162 178.155 176.094 -0.169 0.000 1.041 799 V CA 1.187 63.385 62.300 -0.170 0.000 1.025 799 V CB -0.616 31.030 31.823 -0.295 0.000 0.656 799 V HN 0.152 nan 8.190 nan 0.000 0.451 800 Y N 1.562 121.634 120.300 -0.380 0.000 2.128 800 Y HA -0.255 4.293 4.550 -0.004 0.000 0.284 800 Y C 2.377 178.217 175.900 -0.100 0.000 1.154 800 Y CA 1.575 59.502 58.100 -0.288 0.000 1.149 800 Y CB -0.628 37.651 38.460 -0.301 0.000 0.976 800 Y HN 0.153 nan 8.280 nan 0.000 0.505 801 A N 0.217 123.003 122.820 -0.056 0.000 1.898 801 A HA -0.052 4.266 4.320 -0.004 0.000 0.216 801 A C 2.395 179.899 177.584 -0.133 0.000 1.181 801 A CA 1.810 53.788 52.037 -0.099 0.000 0.620 801 A CB -1.442 17.568 19.000 0.017 0.000 0.819 801 A HN 0.573 nan 8.150 nan 0.000 0.442 802 A N -0.886 121.880 122.820 -0.088 0.000 2.014 802 A HA 0.239 4.556 4.320 -0.004 0.000 0.218 802 A C 2.096 179.650 177.584 -0.050 0.000 1.163 802 A CA 1.548 53.547 52.037 -0.063 0.000 0.652 802 A CB -0.801 18.187 19.000 -0.020 0.000 0.808 802 A HN 0.747 nan 8.150 nan 0.000 0.449 803 G N -1.109 107.653 108.800 -0.064 0.000 3.042 803 G HA2 0.079 4.037 3.960 -0.004 0.000 0.212 803 G HA3 0.079 4.037 3.960 -0.004 0.000 0.212 803 G C 1.085 175.915 174.900 -0.116 0.000 1.166 803 G CA 0.616 45.740 45.100 0.041 0.000 0.767 803 G HN 0.613 nan 8.290 nan 0.000 0.546 804 E N 1.523 121.565 120.200 -0.263 0.000 2.070 804 E HA -0.231 4.117 4.350 -0.004 0.000 0.197 804 E C 2.268 178.706 176.600 -0.271 0.000 1.004 804 E CA 1.538 57.762 56.400 -0.293 0.000 0.805 804 E CB -0.075 29.445 29.700 -0.300 0.000 0.744 804 E HN 0.747 nan 8.360 nan 0.000 0.451 805 E N -0.765 119.180 120.200 -0.426 0.000 2.401 805 E HA -0.165 4.183 4.350 -0.004 0.000 0.199 805 E C 0.629 176.898 176.600 -0.551 0.000 1.023 805 E CA 0.698 56.778 56.400 -0.534 0.000 0.859 805 E CB -0.150 29.122 29.700 -0.713 0.000 0.780 805 E HN 0.280 nan 8.360 nan 0.000 0.523 806 F N 0.735 120.643 119.950 -0.069 0.000 2.668 806 F HA 0.284 4.809 4.527 -0.004 0.000 0.301 806 F C 0.217 175.987 175.800 -0.050 0.000 1.106 806 F CA -0.745 57.222 58.000 -0.054 0.000 1.289 806 F CB -0.269 38.700 39.000 -0.053 0.000 1.006 806 F HN -0.083 nan 8.300 nan 0.000 0.535 807 N N 1.724 120.449 118.700 0.041 0.000 2.727 807 N HA -0.289 4.449 4.740 -0.004 0.000 0.249 807 N C -0.003 175.535 175.510 0.046 0.000 1.048 807 N CA 0.171 53.237 53.050 0.026 0.000 0.714 807 N CB -1.315 37.195 38.487 0.038 0.000 0.959 807 N HN 0.506 nan 8.380 nan 0.000 0.544 808 I N 0.454 121.046 120.570 0.037 0.000 2.821 808 I HA -0.065 4.103 4.170 -0.004 0.000 0.294 808 I C -0.114 176.044 176.117 0.067 0.000 1.210 808 I CA 0.799 62.124 61.300 0.041 0.000 1.430 808 I CB 0.256 38.252 38.000 -0.006 0.000 1.356 808 I HN 0.265 nan 8.210 nan 0.000 0.563 809 T N 9.130 123.736 114.554 0.086 0.000 2.791 809 T HA 0.403 4.751 4.350 -0.004 0.000 0.288 809 T C -2.452 172.334 174.700 0.143 0.000 0.999 809 T CA -1.034 61.138 62.100 0.120 0.000 0.952 809 T CB 1.234 70.162 68.868 0.100 0.000 0.938 809 T HN 0.462 nan 8.240 nan 0.000 0.444 810 P HA 0.246 nan 4.420 nan 0.000 0.276 810 P C -1.305 176.040 177.300 0.074 0.000 1.230 810 P CA -0.343 62.699 63.100 -0.098 0.000 0.776 810 P CB 0.399 31.825 31.700 -0.456 0.000 0.888 811 Y N 0.517 120.908 120.300 0.151 0.000 2.634 811 Y HA 0.836 5.384 4.550 -0.004 0.000 0.340 811 Y C 0.028 176.194 175.900 0.444 0.000 1.058 811 Y CA -1.131 57.168 58.100 0.333 0.000 1.081 811 Y CB 0.881 39.452 38.460 0.184 0.000 1.295 811 Y HN 0.527 nan 8.280 nan 0.000 0.487 812 G N -0.353 108.707 108.800 0.432 0.000 3.217 812 G HA2 0.369 4.327 3.960 -0.004 0.000 0.213 812 G HA3 0.369 4.327 3.960 -0.004 0.000 0.213 812 G C 0.419 175.444 174.900 0.208 0.000 1.294 812 G CA -0.374 44.848 45.100 0.204 0.000 0.987 812 G HN 0.947 nan 8.290 nan 0.000 0.584 813 T N -1.622 113.020 114.554 0.147 0.000 2.759 813 T HA -0.144 4.204 4.350 -0.004 0.000 0.269 813 T C 1.870 176.528 174.700 -0.071 0.000 1.042 813 T CA 2.047 64.159 62.100 0.020 0.000 1.140 813 T CB -0.168 68.665 68.868 -0.057 0.000 0.864 813 T HN 0.381 nan 8.240 nan 0.000 0.455 814 E N 1.648 121.971 120.200 0.206 0.000 2.031 814 E HA 0.006 4.354 4.350 -0.004 0.000 0.193 814 E C 1.175 177.853 176.600 0.130 0.000 0.994 814 E CA 1.061 57.573 56.400 0.187 0.000 0.800 814 E CB -0.898 28.882 29.700 0.133 0.000 0.752 814 E HN 0.564 nan 8.360 nan 0.000 0.447 818 V N 2.279 121.912 119.914 -0.468 0.000 2.261 818 V HA -0.246 3.872 4.120 -0.004 0.000 0.246 818 V C 2.375 178.293 176.094 -0.294 0.000 1.047 818 V CA 2.104 63.991 62.300 -0.687 0.000 1.015 818 V CB -0.583 31.009 31.823 -0.385 0.000 0.642 818 V HN 0.242 nan 8.190 nan 0.000 0.446 819 L N 0.415 121.516 121.223 -0.203 0.000 2.012 819 L HA -0.231 4.107 4.340 -0.004 0.000 0.210 819 L C 2.808 179.557 176.870 -0.202 0.000 1.073 819 L CA 2.314 57.035 54.840 -0.199 0.000 0.748 819 L CB -0.764 41.205 42.059 -0.149 0.000 0.891 819 L HN 0.446 nan 8.230 nan 0.000 0.431 820 R N 0.873 121.269 120.500 -0.173 0.000 2.115 820 R HA -0.041 4.296 4.340 -0.004 0.000 0.230 820 R C 2.070 178.188 176.300 -0.304 0.000 1.111 820 R CA 1.364 57.273 56.100 -0.319 0.000 0.976 820 R CB -1.115 28.811 30.300 -0.623 0.000 0.870 820 R HN 0.205 nan 8.270 nan 0.000 0.445 821 A N 1.349 124.094 122.820 -0.124 0.000 1.969 821 A HA -0.097 4.221 4.320 -0.004 0.000 0.218 821 A C 1.881 179.507 177.584 0.070 0.000 1.169 821 A CA 1.364 53.446 52.037 0.075 0.000 0.635 821 A CB -0.395 18.781 19.000 0.293 0.000 0.810 821 A HN 0.535 nan 8.150 nan 0.000 0.445 822 E N -0.320 119.831 120.200 -0.081 0.000 2.265 822 E HA -0.124 4.224 4.350 -0.004 0.000 0.196 822 E C 1.016 177.421 176.600 -0.324 0.000 0.996 822 E CA 0.789 56.998 56.400 -0.318 0.000 0.832 822 E CB 0.042 29.508 29.700 -0.390 0.000 0.756 822 E HN 0.283 nan 8.360 nan 0.000 0.491 823 K N -0.638 119.477 120.400 -0.474 0.000 2.358 823 K HA 0.114 4.432 4.320 -0.004 0.000 0.197 823 K C 0.956 177.078 176.600 -0.796 0.000 1.025 823 K CA 0.558 56.395 56.287 -0.750 0.000 1.104 823 K CB 1.089 32.798 32.500 -1.319 0.000 0.855 823 K HN 0.227 nan 8.250 nan 0.000 0.531 824 G N 1.749 110.279 108.800 -0.450 0.000 2.155 824 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.257 824 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.257 824 G C -0.084 174.760 174.900 -0.093 0.000 0.983 824 G CA -0.117 44.857 45.100 -0.210 0.000 0.676 824 G HN 0.146 nan 8.290 nan 0.000 0.528 825 F N 1.069 120.955 119.950 -0.105 0.000 2.471 825 F HA 0.553 5.078 4.527 -0.004 0.000 0.353 825 F C 1.483 177.275 175.800 -0.013 0.000 1.113 825 F CA -1.533 56.401 58.000 -0.111 0.000 1.262 825 F CB 0.390 39.156 39.000 -0.389 0.000 1.146 825 F HN 0.329 nan 8.300 nan 0.000 0.578 826 I N 0.838 121.587 120.570 0.298 0.000 2.713 826 I HA 0.574 4.741 4.170 -0.004 0.000 0.300 826 I C -0.764 175.531 176.117 0.297 0.000 1.009 826 I CA -0.608 60.829 61.300 0.228 0.000 1.305 826 I CB 1.207 39.322 38.000 0.192 0.000 1.430 826 I HN 0.310 nan 8.210 nan 0.000 0.546 827 I N 4.730 125.422 120.570 0.203 0.000 2.411 827 I HA 0.260 4.427 4.170 -0.004 0.000 0.284 827 I C -0.238 175.957 176.117 0.128 0.000 1.012 827 I CA -0.486 60.928 61.300 0.190 0.000 1.119 827 I CB 1.636 39.686 38.000 0.084 0.000 1.261 827 I HN 0.388 nan 8.210 nan 0.000 0.448 828 V N 7.363 127.348 119.914 0.119 0.000 2.557 828 V HA 0.273 4.391 4.120 -0.004 0.000 0.301 828 V C 1.386 177.534 176.094 0.090 0.000 1.026 828 V CA 1.559 63.913 62.300 0.089 0.000 1.137 828 V CB 0.019 31.867 31.823 0.042 0.000 0.917 828 V HN 1.089 nan 8.190 nan 0.000 0.484 829 G N 3.460 112.323 108.800 0.104 0.000 2.254 829 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.225 829 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.225 829 G C 0.774 175.755 174.900 0.136 0.000 1.003 829 G CA 0.732 45.899 45.100 0.112 0.000 0.622 829 G HN 0.694 nan 8.290 nan 0.000 0.507 830 Q N -0.518 119.358 119.800 0.126 0.000 2.581 830 Q HA 0.182 4.519 4.340 -0.004 0.000 0.222 830 Q C 1.392 177.461 176.000 0.115 0.000 0.904 830 Q CA 0.681 56.563 55.803 0.132 0.000 0.923 830 Q CB 0.435 29.217 28.738 0.073 0.000 1.117 830 Q HN 0.354 nan 8.270 nan 0.000 0.618 831 D N 0.948 121.389 120.400 0.068 0.000 2.339 831 D HA 0.029 4.667 4.640 -0.004 0.000 0.217 831 D C 0.033 176.370 176.300 0.062 0.000 1.050 831 D CA 0.690 54.693 54.000 0.006 0.000 0.856 831 D CB 0.812 41.623 40.800 0.018 0.000 0.922 831 D HN 0.309 nan 8.370 nan 0.000 0.518 832 T N -0.773 113.857 114.554 0.126 0.000 2.900 832 T HA 0.417 4.764 4.350 -0.004 0.000 0.295 832 T C -0.426 174.386 174.700 0.187 0.000 1.044 832 T CA -0.836 61.353 62.100 0.148 0.000 0.995 832 T CB 2.438 71.379 68.868 0.120 0.000 1.072 832 T HN -0.196 nan 8.240 nan 0.000 0.473 833 D N -0.530 119.986 120.400 0.193 0.000 2.620 833 D HA 0.327 4.964 4.640 -0.004 0.000 0.260 833 D C 1.399 177.768 176.300 0.114 0.000 1.367 833 D CA 0.062 54.163 54.000 0.168 0.000 0.805 833 D CB -0.245 40.678 40.800 0.204 0.000 1.096 833 D HN 1.256 nan 8.370 nan 0.000 0.488 834 G N 0.525 109.391 108.800 0.110 0.000 2.195 834 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.246 834 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.246 834 G C 0.952 175.903 174.900 0.086 0.000 0.984 834 G CA 0.645 45.796 45.100 0.084 0.000 0.633 834 G HN 0.818 nan 8.290 nan 0.000 0.525 835 T N -2.094 112.524 114.554 0.105 0.000 3.145 835 T HA 0.604 4.952 4.350 -0.004 0.000 0.281 835 T C 0.229 175.001 174.700 0.120 0.000 1.003 835 T CA 0.490 62.653 62.100 0.105 0.000 0.901 835 T CB 0.937 69.866 68.868 0.101 0.000 1.112 835 T HN 0.709 nan 8.240 nan 0.000 0.535 836 V N 3.385 123.374 119.914 0.125 0.000 2.398 836 V HA 0.601 4.719 4.120 -0.004 0.000 0.286 836 V C 0.740 176.904 176.094 0.117 0.000 1.026 836 V CA -0.682 61.688 62.300 0.116 0.000 0.868 836 V CB 1.328 33.219 31.823 0.113 0.000 0.982 836 V HN 0.679 nan 8.190 nan 0.000 0.443 837 T N 2.670 117.288 114.554 0.107 0.000 2.927 837 T HA 0.414 4.762 4.350 -0.004 0.000 0.281 837 T C -1.952 172.773 174.700 0.041 0.000 0.998 837 T CA -2.042 60.128 62.100 0.116 0.000 1.019 837 T CB 1.832 70.757 68.868 0.094 0.000 1.061 837 T HN 0.358 nan 8.240 nan 0.000 0.518 838 P HA -0.083 nan 4.420 nan 0.000 0.216 838 P C 1.469 178.711 177.300 -0.096 0.000 1.150 838 P CA 1.085 64.153 63.100 -0.053 0.000 0.837 838 P CB 0.027 31.672 31.700 -0.093 0.000 0.786 839 Q N -0.639 119.079 119.800 -0.137 0.000 2.079 839 Q HA -0.148 4.190 4.340 -0.004 0.000 0.200 839 Q C 1.863 177.838 176.000 -0.043 0.000 0.974 839 Q CA 1.437 57.172 55.803 -0.114 0.000 0.840 839 Q CB -0.916 27.722 28.738 -0.168 0.000 0.898 839 Q HN 0.275 nan 8.270 nan 0.000 0.430 840 D N 0.469 120.856 120.400 -0.021 0.000 2.149 840 D HA -0.132 4.505 4.640 -0.004 0.000 0.198 840 D C 1.355 177.668 176.300 0.021 0.000 0.990 840 D CA 1.463 55.471 54.000 0.013 0.000 0.839 840 D CB -0.241 40.581 40.800 0.037 0.000 0.948 840 D HN 0.309 nan 8.370 nan 0.000 0.460 841 A N 0.325 123.160 122.820 0.026 0.000 2.239 841 A HA 0.395 4.713 4.320 -0.004 0.000 0.209 841 A C 1.262 178.884 177.584 0.062 0.000 1.171 841 A CA 1.084 53.149 52.037 0.046 0.000 0.768 841 A CB -0.588 18.450 19.000 0.063 0.000 0.790 841 A HN 0.342 nan 8.150 nan 0.000 0.478 845 W N 0.901 122.213 121.300 0.020 0.000 2.374 845 W HA 0.018 4.676 4.660 -0.003 0.000 0.288 845 W C 1.199 177.728 176.519 0.017 0.000 1.218 845 W CA 1.128 58.485 57.345 0.020 0.000 1.245 845 W CB -1.115 28.359 29.460 0.024 0.000 1.126 845 W HN 0.077 nan 8.180 nan 0.000 0.545 846 V N 2.044 121.423 119.914 -0.891 0.000 3.380 846 V HA -0.009 4.109 4.120 -0.004 0.000 0.268 846 V C 0.670 176.541 176.094 -0.372 0.000 1.168 846 V CA 0.548 62.407 62.300 -0.736 0.000 1.156 846 V CB -0.523 30.617 31.823 -1.137 0.000 0.785 846 V HN -0.073 nan 8.190 nan 0.000 0.487 847 V N 1.471 121.225 119.914 -0.267 0.000 2.385 847 V HA 0.280 4.398 4.120 -0.004 0.000 0.269 847 V C 0.563 176.643 176.094 -0.024 0.000 1.043 847 V CA 0.066 62.273 62.300 -0.154 0.000 0.906 847 V CB 1.084 32.881 31.823 -0.044 0.000 0.995 847 V HN 0.401 nan 8.190 nan 0.000 0.467 848 S N 4.805 120.481 115.700 -0.040 0.000 2.549 848 S HA 0.170 4.638 4.470 -0.004 0.000 0.283 848 S C 0.969 175.708 174.600 0.232 0.000 1.320 848 S CA -0.302 57.957 58.200 0.099 0.000 1.058 848 S CB 0.335 63.589 63.200 0.090 0.000 0.882 848 S HN 0.703 nan 8.310 nan 0.000 0.498 849 K N 4.260 124.747 120.400 0.146 0.000 2.374 849 K HA 0.260 4.578 4.320 -0.004 0.000 0.202 849 K C 1.048 177.711 176.600 0.106 0.000 1.040 849 K CA 0.218 56.582 56.287 0.129 0.000 1.085 849 K CB 0.094 32.648 32.500 0.090 0.000 0.873 849 K HN 0.570 nan 8.250 nan 0.000 0.539 850 L N 0.700 121.986 121.223 0.105 0.000 2.470 850 L HA 0.058 4.396 4.340 -0.004 0.000 0.219 850 L C 0.236 177.156 176.870 0.084 0.000 1.071 850 L CA 0.398 55.285 54.840 0.079 0.000 0.850 850 L CB 0.138 42.232 42.059 0.059 0.000 1.040 850 L HN 0.010 nan 8.230 nan 0.000 0.475 851 K N -1.628 118.849 120.400 0.127 0.000 2.480 851 K HA 0.514 4.832 4.320 -0.004 0.000 0.258 851 K C -1.350 175.359 176.600 0.181 0.000 0.990 851 K CA -0.846 55.514 56.287 0.123 0.000 0.857 851 K CB 1.296 33.860 32.500 0.106 0.000 1.384 851 K HN -0.298 nan 8.250 nan 0.000 0.446 852 D N -0.183 120.273 120.400 0.092 0.000 2.253 852 D HA 0.602 5.240 4.640 -0.004 0.000 0.249 852 D C -1.130 175.219 176.300 0.081 0.000 1.049 852 D CA -0.326 53.665 54.000 -0.015 0.000 0.929 852 D CB 0.555 41.315 40.800 -0.066 0.000 1.176 852 D HN 0.467 nan 8.370 nan 0.000 0.437 853 F N 0.374 120.316 119.950 -0.015 0.000 2.686 853 F HA 0.448 4.973 4.527 -0.004 0.000 0.311 853 F C -0.878 174.891 175.800 -0.052 0.000 1.128 853 F CA -1.436 56.537 58.000 -0.044 0.000 0.946 853 F CB 0.438 39.430 39.000 -0.013 0.000 1.336 853 F HN 0.017 nan 8.300 nan 0.000 0.457 854 I N 2.363 122.987 120.570 0.089 0.000 2.828 854 I HA 0.251 4.419 4.170 -0.004 0.000 0.292 854 I C 1.331 177.491 176.117 0.073 0.000 1.206 854 I CA 1.575 62.876 61.300 0.002 0.000 1.420 854 I CB -0.509 37.459 38.000 -0.054 0.000 1.368 854 I HN 1.106 nan 8.210 nan 0.000 0.556 855 G N 5.482 114.230 108.800 -0.086 0.000 2.258 855 G HA2 -0.363 3.595 3.960 -0.004 0.000 0.233 855 G HA3 -0.363 3.595 3.960 -0.004 0.000 0.233 855 G C 1.169 175.700 174.900 -0.615 0.000 1.006 855 G CA 0.504 45.479 45.100 -0.208 0.000 0.620 855 G HN 0.556 nan 8.290 nan 0.000 0.511 856 N N 1.053 119.303 118.700 -0.750 0.000 2.094 856 N HA -0.136 4.602 4.740 -0.004 0.000 0.191 856 N C 2.057 177.238 175.510 -0.547 0.000 1.023 856 N CA 2.303 54.822 53.050 -0.884 0.000 0.857 856 N CB -0.269 37.404 38.487 -1.357 0.000 1.013 856 N HN 0.524 nan 8.380 nan 0.000 0.426 857 R N 0.212 120.476 120.500 -0.394 0.000 2.127 857 R HA 0.108 4.445 4.340 -0.004 0.000 0.238 857 R C 1.770 177.945 176.300 -0.208 0.000 1.134 857 R CA 1.585 57.552 56.100 -0.222 0.000 0.975 857 R CB -0.832 29.382 30.300 -0.144 0.000 0.865 857 R HN 0.128 nan 8.270 nan 0.000 0.447 858 S N -0.171 115.332 115.700 -0.329 0.000 2.474 858 S HA -0.083 4.385 4.470 -0.004 0.000 0.235 858 S C 0.778 175.299 174.600 -0.131 0.000 0.997 858 S CA 0.761 58.818 58.200 -0.238 0.000 0.949 858 S CB -0.317 62.730 63.200 -0.255 0.000 0.766 858 S HN 0.381 nan 8.310 nan 0.000 0.517 859 Y N 1.470 121.769 120.300 -0.002 0.000 2.632 859 Y HA 0.159 4.707 4.550 -0.003 0.000 0.301 859 Y C 2.205 178.111 175.900 0.010 0.000 1.172 859 Y CA -0.524 57.585 58.100 0.014 0.000 1.328 859 Y CB -0.782 37.691 38.460 0.022 0.000 1.016 859 Y HN 0.148 nan 8.280 nan 0.000 0.529 860 S N -0.749 115.013 115.700 0.103 0.000 2.548 860 S HA 0.101 4.569 4.470 -0.004 0.000 0.215 860 S C 0.902 175.533 174.600 0.051 0.000 0.976 860 S CA -0.211 58.029 58.200 0.066 0.000 0.908 860 S CB 0.060 63.277 63.200 0.029 0.000 0.781 860 S HN 0.287 nan 8.310 nan 0.000 0.519 861 R N 0.814 121.344 120.500 0.050 0.000 2.679 861 R HA 0.378 4.716 4.340 -0.004 0.000 0.269 861 R C 1.572 177.901 176.300 0.049 0.000 1.076 861 R CA 0.246 56.370 56.100 0.040 0.000 1.160 861 R CB 0.162 30.482 30.300 0.033 0.000 1.054 861 R HN 0.206 nan 8.270 nan 0.000 0.507 862 A N 1.561 124.404 122.820 0.038 0.000 1.917 862 A HA -0.274 4.044 4.320 -0.004 0.000 0.219 862 A C 1.792 179.402 177.584 0.044 0.000 1.182 862 A CA 2.219 54.279 52.037 0.037 0.000 0.633 862 A CB -0.596 18.422 19.000 0.029 0.000 0.819 862 A HN 0.920 nan 8.150 nan 0.000 0.448 863 D N -0.404 120.024 120.400 0.047 0.000 2.149 863 D HA -0.194 4.444 4.640 -0.004 0.000 0.198 863 D C 1.795 178.134 176.300 0.065 0.000 0.990 863 D CA 1.491 55.522 54.000 0.053 0.000 0.839 863 D CB -0.279 40.553 40.800 0.054 0.000 0.948 863 D HN 0.566 nan 8.370 nan 0.000 0.460 864 N N -0.725 118.024 118.700 0.082 0.000 2.512 864 N HA -0.075 4.662 4.740 -0.004 0.000 0.183 864 N C 1.106 176.657 175.510 0.069 0.000 1.073 864 N CA 0.740 53.849 53.050 0.097 0.000 0.911 864 N CB 0.038 38.619 38.487 0.157 0.000 0.964 864 N HN 0.201 nan 8.380 nan 0.000 0.447 865 A N 0.696 123.551 122.820 0.058 0.000 2.275 865 A HA 0.133 4.451 4.320 -0.004 0.000 0.212 865 A C 0.776 178.383 177.584 0.038 0.000 1.201 865 A CA -0.263 51.801 52.037 0.045 0.000 0.843 865 A CB 0.008 19.032 19.000 0.041 0.000 0.873 865 A HN 0.182 nan 8.150 nan 0.000 0.492 866 R N 0.627 121.151 120.500 0.040 0.000 2.698 866 R HA 0.078 4.416 4.340 -0.004 0.000 0.266 866 R C 0.154 176.474 176.300 0.033 0.000 1.026 866 R CA 0.051 56.172 56.100 0.036 0.000 1.102 866 R CB 0.398 30.721 30.300 0.039 0.000 0.978 866 R HN 0.320 nan 8.270 nan 0.000 0.436 867 E N 1.474 121.692 120.200 0.029 0.000 2.474 867 E HA -0.067 4.280 4.350 -0.004 0.000 0.194 867 E C -0.055 176.562 176.600 0.028 0.000 1.041 867 E CA 0.613 57.028 56.400 0.026 0.000 0.874 867 E CB 0.212 29.926 29.700 0.023 0.000 0.914 867 E HN 0.574 nan 8.360 nan 0.000 0.498 868 D N -0.145 120.274 120.400 0.032 0.000 2.670 868 D HA 0.064 4.702 4.640 -0.004 0.000 0.255 868 D C 0.173 176.498 176.300 0.043 0.000 1.286 868 D CA -0.389 53.632 54.000 0.035 0.000 0.830 868 D CB -0.196 40.625 40.800 0.035 0.000 1.065 868 D HN -0.178 nan 8.370 nan 0.000 0.486 869 R N 0.960 121.485 120.500 0.042 0.000 2.537 869 R HA 0.184 4.522 4.340 -0.004 0.000 0.280 869 R C 0.307 176.638 176.300 0.052 0.000 1.058 869 R CA -0.127 56.003 56.100 0.051 0.000 1.057 869 R CB 0.968 31.297 30.300 0.047 0.000 0.973 869 R HN 0.063 nan 8.270 nan 0.000 0.438 870 K N 3.250 123.690 120.400 0.067 0.000 2.416 870 K HA -0.021 4.297 4.320 -0.004 0.000 0.283 870 K C -0.110 176.517 176.600 0.044 0.000 1.037 870 K CA 0.496 56.822 56.287 0.066 0.000 0.995 870 K CB 0.638 33.204 32.500 0.110 0.000 0.938 870 K HN 0.435 nan 8.250 nan 0.000 0.475 871 Q N 1.941 121.755 119.800 0.022 0.000 2.394 871 Q HA 0.312 4.649 4.340 -0.004 0.000 0.273 871 Q C -1.129 174.865 176.000 -0.009 0.000 1.089 871 Q CA -1.159 54.651 55.803 0.013 0.000 0.812 871 Q CB 2.011 30.759 28.738 0.016 0.000 1.353 871 Q HN 0.327 nan 8.270 nan 0.000 0.438 872 L N 3.447 124.666 121.223 -0.007 0.000 2.385 872 L HA 0.337 4.675 4.340 -0.004 0.000 0.281 872 L C -0.759 176.107 176.870 -0.008 0.000 1.106 872 L CA 0.230 55.056 54.840 -0.022 0.000 0.856 872 L CB 0.293 42.351 42.059 -0.002 0.000 1.186 872 L HN 0.550 nan 8.230 nan 0.000 0.453 873 V N 1.047 120.948 119.914 -0.021 0.000 3.103 873 V HA 0.739 4.857 4.120 -0.004 0.000 0.311 873 V C -0.033 176.062 176.094 0.001 0.000 1.322 873 V CA -0.785 61.512 62.300 -0.005 0.000 1.063 873 V CB 1.575 33.396 31.823 -0.003 0.000 1.090 873 V HN 0.596 nan 8.190 nan 0.000 0.462 874 S N -0.002 115.711 115.700 0.021 0.000 2.722 874 S HA 0.896 5.364 4.470 -0.004 0.000 0.292 874 S C -0.524 174.106 174.600 0.051 0.000 1.135 874 S CA -0.105 58.133 58.200 0.063 0.000 1.003 874 S CB 1.605 64.859 63.200 0.090 0.000 1.067 874 S HN 1.812 nan 8.310 nan 0.000 0.546 875 V N 0.259 120.221 119.914 0.081 0.000 2.623 875 V HA 0.638 4.756 4.120 -0.004 0.000 0.304 875 V C -1.345 174.805 176.094 0.093 0.000 1.054 875 V CA -0.735 61.599 62.300 0.056 0.000 0.882 875 V CB 1.110 32.946 31.823 0.021 0.000 1.002 875 V HN 0.693 nan 8.190 nan 0.000 0.424 876 L N 5.704 126.971 121.223 0.074 0.000 2.318 876 L HA 0.565 4.902 4.340 -0.004 0.000 0.277 876 L C -2.491 174.413 176.870 0.056 0.000 1.008 876 L CA -1.704 53.187 54.840 0.085 0.000 0.846 876 L CB 2.306 44.405 42.059 0.067 0.000 1.220 876 L HN 0.430 nan 8.230 nan 0.000 0.423 877 P HA -0.044 nan 4.420 nan 0.000 0.268 877 P C 1.053 178.372 177.300 0.033 0.000 1.205 877 P CA -0.250 62.872 63.100 0.035 0.000 0.771 877 P CB 0.930 32.648 31.700 0.030 0.000 0.858 878 V N -0.250 119.678 119.914 0.024 0.000 2.626 878 V HA -0.103 4.015 4.120 -0.004 0.000 0.252 878 V C 0.842 176.948 176.094 0.020 0.000 1.067 878 V CA 1.602 63.914 62.300 0.020 0.000 1.081 878 V CB -0.884 30.948 31.823 0.015 0.000 0.686 878 V HN 0.386 nan 8.190 nan 0.000 0.468 879 D N 1.209 121.620 120.400 0.019 0.000 2.422 879 D HA 0.148 4.786 4.640 -0.004 0.000 0.227 879 D C 1.090 177.404 176.300 0.024 0.000 1.190 879 D CA -0.230 53.780 54.000 0.017 0.000 0.905 879 D CB 0.954 41.761 40.800 0.011 0.000 1.034 879 D HN 0.411 nan 8.370 nan 0.000 0.507 880 K N 1.318 121.735 120.400 0.028 0.000 2.520 880 K HA -0.085 4.233 4.320 -0.004 0.000 0.197 880 K C 1.341 177.966 176.600 0.042 0.000 1.043 880 K CA 0.620 56.932 56.287 0.042 0.000 0.944 880 K CB 0.019 32.544 32.500 0.041 0.000 0.770 880 K HN 0.326 nan 8.250 nan 0.000 0.480 881 S N -0.026 115.688 115.700 0.023 0.000 2.523 881 S HA 0.110 4.578 4.470 -0.004 0.000 0.217 881 S C 0.567 175.169 174.600 0.003 0.000 0.996 881 S CA -0.599 57.607 58.200 0.010 0.000 0.921 881 S CB -0.054 63.142 63.200 -0.006 0.000 0.829 881 S HN 0.199 nan 8.310 nan 0.000 0.495 882 L N 3.301 124.529 121.223 0.008 0.000 2.315 882 L HA 0.432 4.770 4.340 -0.004 0.000 0.283 882 L C 0.161 177.029 176.870 -0.003 0.000 1.089 882 L CA -0.554 54.286 54.840 0.000 0.000 0.833 882 L CB 0.633 42.694 42.059 0.003 0.000 1.170 882 L HN 0.172 nan 8.230 nan 0.000 0.442 883 R N 5.990 126.480 120.500 -0.016 0.000 2.202 883 R HA 0.382 4.720 4.340 -0.004 0.000 0.334 883 R C -0.877 175.397 176.300 -0.044 0.000 1.036 883 R CA -0.660 55.419 56.100 -0.036 0.000 0.878 883 R CB 0.586 30.861 30.300 -0.042 0.000 1.067 883 R HN 0.689 nan 8.270 nan 0.000 0.457 884 L N 6.809 127.995 121.223 -0.060 0.000 2.426 884 L HA 0.273 4.611 4.340 -0.004 0.000 0.271 884 L C -1.671 175.162 176.870 -0.062 0.000 1.169 884 L CA -1.744 53.065 54.840 -0.051 0.000 0.836 884 L CB 0.655 42.681 42.059 -0.054 0.000 1.112 884 L HN 0.481 nan 8.230 nan 0.000 0.465 885 P HA 0.129 nan 4.420 nan 0.000 0.279 885 P C -1.066 176.230 177.300 -0.007 0.000 1.239 885 P CA -0.549 62.541 63.100 -0.016 0.000 0.789 885 P CB 0.753 32.458 31.700 0.008 0.000 0.933 886 E N 1.047 121.241 120.200 -0.011 0.000 2.366 886 E HA 0.331 4.679 4.350 -0.004 0.000 0.266 886 E C 1.064 177.741 176.600 0.129 0.000 1.015 886 E CA 0.347 56.764 56.400 0.028 0.000 0.906 886 E CB -0.083 29.621 29.700 0.007 0.000 0.979 886 E HN 0.816 nan 8.360 nan 0.000 0.443 887 G N 2.202 111.157 108.800 0.258 0.000 2.218 887 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.216 887 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.216 887 G C 0.441 175.482 174.900 0.236 0.000 0.994 887 G CA -0.292 44.998 45.100 0.317 0.000 0.637 887 G HN 0.811 nan 8.290 nan 0.000 0.505 888 A N 0.501 123.421 122.820 0.166 0.000 2.565 888 A HA 0.609 4.926 4.320 -0.004 0.000 0.237 888 A C 1.031 178.708 177.584 0.156 0.000 1.053 888 A CA 1.379 53.485 52.037 0.114 0.000 0.755 888 A CB 0.183 19.222 19.000 0.065 0.000 0.980 888 A HN 2.134 nan 8.150 nan 0.000 0.506 889 A N 2.661 125.547 122.820 0.109 0.000 2.327 889 A HA 0.616 4.934 4.320 -0.004 0.000 0.283 889 A C -0.108 177.531 177.584 0.091 0.000 1.127 889 A CA -0.374 51.731 52.037 0.114 0.000 0.810 889 A CB 0.183 19.223 19.000 0.066 0.000 1.066 889 A HN 0.833 nan 8.150 nan 0.000 0.492 890 L N 2.665 123.948 121.223 0.100 0.000 2.329 890 L HA 0.694 5.032 4.340 -0.004 0.000 0.279 890 L C -0.217 176.687 176.870 0.057 0.000 1.014 890 L CA -0.847 54.035 54.840 0.069 0.000 0.814 890 L CB 1.815 43.913 42.059 0.065 0.000 1.257 890 L HN 0.656 nan 8.230 nan 0.000 0.424 891 V N -0.195 119.744 119.914 0.042 0.000 3.040 891 V HA 0.877 4.994 4.120 -0.004 0.000 0.312 891 V C 0.042 176.153 176.094 0.028 0.000 1.115 891 V CA -0.976 61.345 62.300 0.035 0.000 0.998 891 V CB 1.639 33.480 31.823 0.029 0.000 1.042 891 V HN 0.821 nan 8.190 nan 0.000 0.433 892 A N 1.927 124.763 122.820 0.025 0.000 2.466 892 A HA 0.475 4.793 4.320 -0.004 0.000 0.238 892 A C 1.532 179.127 177.584 0.018 0.000 1.074 892 A CA 0.400 52.450 52.037 0.021 0.000 0.774 892 A CB 0.283 19.294 19.000 0.020 0.000 1.015 892 A HN 2.078 nan 8.150 nan 0.000 0.498 893 S N 0.338 116.047 115.700 0.016 0.000 2.469 893 S HA -0.125 4.342 4.470 -0.004 0.000 0.238 893 S C 0.641 175.248 174.600 0.012 0.000 0.998 893 S CA 1.236 59.444 58.200 0.014 0.000 0.957 893 S CB -0.233 62.975 63.200 0.012 0.000 0.764 893 S HN 0.821 nan 8.310 nan 0.000 0.514 894 D N 1.099 121.507 120.400 0.013 0.000 2.501 894 D HA 0.387 5.025 4.640 -0.004 0.000 0.226 894 D C 0.324 176.632 176.300 0.012 0.000 1.198 894 D CA -0.218 53.788 54.000 0.011 0.000 0.830 894 D CB -0.167 40.639 40.800 0.010 0.000 1.014 894 D HN 0.418 nan 8.370 nan 0.000 0.496 895 A N 0.890 123.718 122.820 0.014 0.000 2.546 895 A HA 0.300 4.618 4.320 -0.004 0.000 0.243 895 A C -0.153 177.439 177.584 0.012 0.000 1.063 895 A CA -0.255 51.791 52.037 0.015 0.000 0.757 895 A CB 0.044 19.054 19.000 0.017 0.000 0.991 895 A HN 0.413 nan 8.150 nan 0.000 0.503 896 L N 3.051 124.281 121.223 0.012 0.000 2.307 896 L HA 0.697 5.035 4.340 -0.004 0.000 0.284 896 L C 0.292 177.168 176.870 0.010 0.000 1.023 896 L CA -0.062 54.784 54.840 0.010 0.000 0.810 896 L CB 1.344 43.408 42.059 0.009 0.000 1.231 896 L HN 0.788 nan 8.230 nan 0.000 0.423 897 A N 3.651 126.476 122.820 0.009 0.000 2.290 897 A HA 0.737 5.055 4.320 -0.004 0.000 0.310 897 A C -0.403 177.185 177.584 0.007 0.000 1.202 897 A CA 0.018 52.060 52.037 0.008 0.000 0.837 897 A CB 0.391 19.395 19.000 0.008 0.000 1.139 897 A HN 0.905 nan 8.150 nan 0.000 0.509 898 S N 2.210 117.914 115.700 0.006 0.000 2.614 898 S HA 0.587 5.055 4.470 -0.004 0.000 0.288 898 S C -0.345 174.258 174.600 0.005 0.000 1.137 898 S CA -0.497 57.706 58.200 0.005 0.000 0.992 898 S CB 1.258 64.461 63.200 0.006 0.000 1.026 898 S HN 0.811 nan 8.310 nan 0.000 0.486 899 E N 1.439 121.641 120.200 0.004 0.000 3.286 899 E HA -0.233 4.115 4.350 -0.004 0.000 0.292 899 E C 0.954 177.556 176.600 0.003 0.000 0.928 899 E CA 1.310 57.712 56.400 0.003 0.000 0.982 899 E CB -2.072 27.630 29.700 0.003 0.000 1.500 899 E HN 2.175 nan 8.360 nan 0.000 0.441 900 G N 0.028 108.830 108.800 0.003 0.000 2.143 900 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.249 900 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.249 900 G C 0.253 175.155 174.900 0.004 0.000 0.981 900 G CA 0.394 45.496 45.100 0.003 0.000 0.665 900 G HN 0.380 nan 8.290 nan 0.000 0.528 901 I N 1.286 121.859 120.570 0.005 0.000 2.378 901 I HA 0.455 4.623 4.170 -0.004 0.000 0.291 901 I C -0.096 176.026 176.117 0.008 0.000 0.992 901 I CA -0.551 60.753 61.300 0.005 0.000 1.154 901 I CB 2.093 40.095 38.000 0.005 0.000 1.315 901 I HN 0.010 nan 8.210 nan 0.000 0.448 902 T N 6.210 120.769 114.554 0.009 0.000 2.824 902 T HA 0.471 4.819 4.350 -0.004 0.000 0.282 902 T C -1.861 172.848 174.700 0.015 0.000 0.993 902 T CA -0.910 61.197 62.100 0.012 0.000 0.967 902 T CB 1.624 70.500 68.868 0.014 0.000 0.960 902 T HN 0.478 nan 8.240 nan 0.000 0.441 906 G N 0.760 109.639 108.800 0.131 0.000 2.350 906 G HA2 0.322 4.280 3.960 -0.004 0.000 0.276 906 G HA3 0.322 4.280 3.960 -0.004 0.000 0.276 906 G C -1.870 173.216 174.900 0.310 0.000 1.313 906 G CA -0.334 44.892 45.100 0.210 0.000 0.903 906 G HN 0.074 nan 8.290 nan 0.000 0.490 907 W N -0.661 120.646 121.300 0.012 0.000 3.137 907 W HA 0.685 5.343 4.660 -0.003 0.000 0.324 907 W C -1.229 175.292 176.519 0.002 0.000 1.253 907 W CA -1.325 56.024 57.345 0.006 0.000 1.183 907 W CB 0.801 30.264 29.460 0.006 0.000 1.424 907 W HN 0.677 nan 8.180 nan 0.000 0.566 908 V N 2.804 122.755 119.914 0.061 0.000 2.432 908 V HA 0.144 4.262 4.120 -0.004 0.000 0.271 908 V C 1.396 177.343 176.094 -0.245 0.000 1.046 908 V CA 0.819 63.036 62.300 -0.139 0.000 0.945 908 V CB 0.803 32.600 31.823 -0.044 0.000 0.992 908 V HN 0.737 nan 8.190 nan 0.000 0.471 909 T N 0.952 115.186 114.554 -0.533 0.000 2.939 909 T HA 0.095 4.443 4.350 -0.004 0.000 0.254 909 T C 0.696 175.275 174.700 -0.201 0.000 1.041 909 T CA 0.298 62.087 62.100 -0.518 0.000 1.142 909 T CB 0.216 68.714 68.868 -0.617 0.000 0.874 909 T HN 0.523 nan 8.240 nan 0.000 0.452 910 S N 0.528 116.090 115.700 -0.232 0.000 2.547 910 S HA 0.706 5.173 4.470 -0.004 0.000 0.281 910 S C -1.097 173.189 174.600 -0.524 0.000 1.118 910 S CA -0.791 57.224 58.200 -0.308 0.000 0.947 910 S CB 2.077 65.218 63.200 -0.097 0.000 1.053 910 S HN 0.470 nan 8.310 nan 0.000 0.482 911 S N 1.792 116.965 115.700 -0.879 0.000 2.547 911 S HA 0.845 5.312 4.470 -0.004 0.000 0.281 911 S C -1.967 171.962 174.600 -1.119 0.000 1.118 911 S CA -0.399 57.317 58.200 -0.807 0.000 0.947 911 S CB 0.551 63.507 63.200 -0.408 0.000 1.053 911 S HN 0.595 nan 8.310 nan 0.000 0.482 912 Y N 0.939 120.953 120.300 -0.477 0.000 2.670 912 Y HA 0.469 5.017 4.550 -0.004 0.000 0.334 912 Y C -0.877 174.942 175.900 -0.135 0.000 1.185 912 Y CA -1.119 56.815 58.100 -0.277 0.000 1.053 912 Y CB 1.116 39.424 38.460 -0.254 0.000 1.298 912 Y HN 0.605 nan 8.280 nan 0.000 0.459 913 D N 0.664 121.196 120.400 0.221 0.000 2.472 913 D HA 0.249 4.887 4.640 -0.004 0.000 0.234 913 D C -0.897 175.620 176.300 0.361 0.000 1.088 913 D CA -0.118 54.033 54.000 0.250 0.000 0.882 913 D CB 1.035 41.935 40.800 0.167 0.000 1.037 913 D HN 0.417 nan 8.370 nan 0.000 0.520 914 S N 4.412 120.341 115.700 0.381 0.000 2.448 914 S HA 0.278 4.746 4.470 -0.004 0.000 0.279 914 S C -1.492 173.149 174.600 0.069 0.000 1.195 914 S CA -1.215 57.114 58.200 0.215 0.000 1.051 914 S CB 1.110 64.417 63.200 0.179 0.000 0.948 914 S HN 0.391 nan 8.310 nan 0.000 0.493 915 P HA 0.052 nan 4.420 nan 0.000 0.240 915 P C 0.221 177.355 177.300 -0.277 0.000 1.190 915 P CA 0.573 63.344 63.100 -0.548 0.000 0.781 915 P CB 0.025 30.930 31.700 -1.325 0.000 0.931 916 N N -0.198 118.346 118.700 -0.259 0.000 2.336 916 N HA 0.095 4.832 4.740 -0.004 0.000 0.177 916 N C 1.776 177.237 175.510 -0.081 0.000 1.018 916 N CA 0.422 53.326 53.050 -0.243 0.000 0.878 916 N CB -0.249 37.893 38.487 -0.574 0.000 0.997 916 N HN 0.057 nan 8.380 nan 0.000 0.433 917 L N -0.390 120.780 121.223 -0.088 0.000 2.446 917 L HA 0.234 4.572 4.340 -0.004 0.000 0.219 917 L C 1.024 177.904 176.870 0.017 0.000 1.116 917 L CA 0.166 54.993 54.840 -0.021 0.000 0.844 917 L CB -0.084 41.909 42.059 -0.110 0.000 0.970 917 L HN 0.292 nan 8.230 nan 0.000 0.457 918 G N 1.626 110.448 108.800 0.037 0.000 2.160 918 G HA2 -0.287 3.671 3.960 -0.004 0.000 0.251 918 G HA3 -0.287 3.671 3.960 -0.004 0.000 0.251 918 G C 0.237 175.200 174.900 0.106 0.000 1.008 918 G CA 0.600 45.748 45.100 0.080 0.000 0.724 918 G HN 0.553 nan 8.290 nan 0.000 0.514 919 R N -2.041 118.538 120.500 0.132 0.000 2.728 919 R HA 0.630 4.968 4.340 -0.004 0.000 0.274 919 R C -0.032 176.397 176.300 0.215 0.000 1.032 919 R CA -0.312 55.872 56.100 0.140 0.000 0.866 919 R CB -0.093 30.266 30.300 0.098 0.000 1.263 919 R HN 0.570 nan 8.270 nan 0.000 0.475 920 T N -0.448 114.215 114.554 0.181 0.000 2.860 920 T HA 0.587 4.935 4.350 -0.004 0.000 0.299 920 T C 0.102 174.972 174.700 0.283 0.000 1.045 920 T CA -0.198 62.019 62.100 0.195 0.000 1.071 920 T CB 0.356 69.272 68.868 0.079 0.000 0.985 920 T HN 0.568 nan 8.240 nan 0.000 0.537 921 F N -1.966 118.015 119.950 0.052 0.000 2.817 921 F HA 0.786 5.311 4.527 -0.004 0.000 0.317 921 F C -0.638 175.179 175.800 0.028 0.000 1.168 921 F CA -0.843 57.179 58.000 0.036 0.000 0.911 921 F CB 1.034 40.060 39.000 0.043 0.000 1.337 921 F HN 1.012 nan 8.300 nan 0.000 0.464 922 G N 0.793 109.534 108.800 -0.098 0.000 2.646 922 G HA2 0.575 4.533 3.960 -0.004 0.000 0.291 922 G HA3 0.575 4.533 3.960 -0.004 0.000 0.291 922 G C -2.450 172.454 174.900 0.006 0.000 1.445 922 G CA -1.077 43.866 45.100 -0.262 0.000 0.814 922 G HN 0.831 nan 8.290 nan 0.000 0.495 923 L N 0.081 121.269 121.223 -0.058 0.000 2.352 923 L HA 0.872 5.210 4.340 -0.004 0.000 0.269 923 L C 0.441 177.222 176.870 -0.148 0.000 1.034 923 L CA -0.855 53.967 54.840 -0.030 0.000 0.806 923 L CB 1.906 43.959 42.059 -0.011 0.000 1.244 923 L HN 0.862 nan 8.230 nan 0.000 0.447 924 A N 2.216 124.938 122.820 -0.163 0.000 2.604 924 A HA 0.668 4.986 4.320 -0.004 0.000 0.295 924 A C -1.436 175.993 177.584 -0.258 0.000 1.067 924 A CA -0.527 51.349 52.037 -0.269 0.000 0.683 924 A CB 1.378 20.281 19.000 -0.163 0.000 1.281 924 A HN 0.590 nan 8.150 nan 0.000 0.407 925 L N 2.445 123.427 121.223 -0.402 0.000 2.259 925 L HA 0.514 4.852 4.340 -0.004 0.000 0.288 925 L C -0.809 176.008 176.870 -0.087 0.000 1.051 925 L CA 0.013 54.715 54.840 -0.229 0.000 0.824 925 L CB 0.514 42.419 42.059 -0.258 0.000 1.206 925 L HN 0.546 nan 8.230 nan 0.000 0.429 926 I N 3.178 123.731 120.570 -0.029 0.000 2.509 926 I HA 0.290 4.458 4.170 -0.004 0.000 0.293 926 I C -0.039 176.098 176.117 0.032 0.000 1.020 926 I CA -1.017 60.292 61.300 0.015 0.000 1.088 926 I CB 2.061 40.064 38.000 0.005 0.000 1.267 926 I HN 0.466 nan 8.210 nan 0.000 0.430 927 K N 4.048 124.477 120.400 0.048 0.000 2.453 927 K HA -0.047 4.271 4.320 -0.004 0.000 0.280 927 K C 0.551 177.171 176.600 0.033 0.000 1.045 927 K CA 0.388 56.703 56.287 0.046 0.000 1.059 927 K CB -0.089 32.440 32.500 0.049 0.000 0.901 927 K HN 0.593 nan 8.250 nan 0.000 0.475 928 N N 1.797 120.515 118.700 0.030 0.000 2.708 928 N HA -0.198 4.539 4.740 -0.004 0.000 0.249 928 N C 0.859 176.381 175.510 0.020 0.000 1.097 928 N CA 0.916 53.980 53.050 0.024 0.000 0.710 928 N CB -0.995 37.506 38.487 0.023 0.000 1.032 928 N HN 0.823 nan 8.380 nan 0.000 0.551 929 G N -0.159 108.652 108.800 0.018 0.000 2.469 929 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.220 929 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.220 929 G C 1.423 176.329 174.900 0.011 0.000 1.136 929 G CA 1.041 46.148 45.100 0.012 0.000 0.759 929 G HN 0.549 nan 8.290 nan 0.000 0.562 930 R N 0.104 120.611 120.500 0.013 0.000 2.237 930 R HA 0.004 4.341 4.340 -0.004 0.000 0.219 930 R C 1.063 177.370 176.300 0.011 0.000 1.080 930 R CA 0.836 56.944 56.100 0.013 0.000 0.995 930 R CB -0.031 30.279 30.300 0.017 0.000 0.875 930 R HN 0.265 nan 8.270 nan 0.000 0.462 931 N N 0.420 119.127 118.700 0.012 0.000 2.235 931 N HA 0.057 4.795 4.740 -0.004 0.000 0.209 931 N C 0.202 175.718 175.510 0.009 0.000 1.122 931 N CA 0.267 53.323 53.050 0.010 0.000 0.845 931 N CB 0.767 39.261 38.487 0.012 0.000 1.004 931 N HN 0.162 nan 8.380 nan 0.000 0.499 932 R N 0.121 120.627 120.500 0.009 0.000 2.596 932 R HA 0.295 4.633 4.340 -0.004 0.000 0.369 932 R C -0.131 176.173 176.300 0.007 0.000 1.042 932 R CA -0.458 55.648 56.100 0.009 0.000 1.120 932 R CB 0.891 31.198 30.300 0.012 0.000 1.353 932 R HN -0.038 nan 8.270 nan 0.000 0.564 933 I N 1.333 121.906 120.570 0.004 0.000 2.741 933 I HA -0.046 4.122 4.170 -0.004 0.000 0.288 933 I C 1.536 177.654 176.117 0.001 0.000 1.192 933 I CA 1.448 62.748 61.300 0.001 0.000 1.426 933 I CB -0.029 37.969 38.000 -0.003 0.000 1.367 933 I HN 0.664 nan 8.210 nan 0.000 0.563 934 G N 4.993 113.794 108.800 0.002 0.000 2.234 934 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.235 934 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.235 934 G C 0.394 175.297 174.900 0.005 0.000 0.997 934 G CA 0.127 45.228 45.100 0.002 0.000 0.623 934 G HN 0.632 nan 8.290 nan 0.000 0.514 935 E N 0.651 120.855 120.200 0.007 0.000 2.392 935 E HA 0.413 4.761 4.350 -0.004 0.000 0.264 935 E C 0.166 176.772 176.600 0.010 0.000 1.024 935 E CA -0.310 56.095 56.400 0.009 0.000 0.903 935 E CB 0.793 30.500 29.700 0.010 0.000 0.963 935 E HN 0.150 nan 8.360 nan 0.000 0.432 936 V N 6.311 126.231 119.914 0.011 0.000 2.406 936 V HA 0.249 4.367 4.120 -0.004 0.000 0.272 936 V C 0.266 176.369 176.094 0.014 0.000 1.043 936 V CA -0.272 62.035 62.300 0.012 0.000 0.915 936 V CB 0.643 32.473 31.823 0.011 0.000 0.988 936 V HN 0.563 nan 8.190 nan 0.000 0.466 937 L N 4.863 126.095 121.223 0.016 0.000 2.319 937 L HA 0.679 5.016 4.340 -0.004 0.000 0.267 937 L C -0.146 176.736 176.870 0.019 0.000 1.011 937 L CA -0.907 53.944 54.840 0.019 0.000 0.818 937 L CB 2.265 44.337 42.059 0.021 0.000 1.316 937 L HN 0.510 nan 8.230 nan 0.000 0.432 938 K N 0.126 120.539 120.400 0.021 0.000 2.328 938 K HA 0.630 4.948 4.320 -0.004 0.000 0.246 938 K C -0.987 175.628 176.600 0.025 0.000 0.955 938 K CA -0.629 55.670 56.287 0.020 0.000 0.817 938 K CB 2.360 34.871 32.500 0.018 0.000 1.208 938 K HN 0.488 nan 8.250 nan 0.000 0.432 939 T N 2.100 116.668 114.554 0.023 0.000 2.971 939 T HA 0.386 4.734 4.350 -0.004 0.000 0.304 939 T C -2.876 171.838 174.700 0.023 0.000 1.038 939 T CA -2.159 59.958 62.100 0.028 0.000 1.007 939 T CB 1.330 70.216 68.868 0.030 0.000 1.055 939 T HN 0.245 nan 8.240 nan 0.000 0.451 940 P HA 0.274 nan 4.420 nan 0.000 0.276 940 P C -0.553 176.758 177.300 0.018 0.000 1.264 940 P CA -0.261 62.850 63.100 0.019 0.000 0.769 940 P CB 0.813 32.524 31.700 0.018 0.000 0.840 941 V N 2.578 122.501 119.914 0.014 0.000 2.385 941 V HA 0.713 4.830 4.120 -0.004 0.000 0.277 941 V C 0.533 176.633 176.094 0.009 0.000 1.012 941 V CA 0.669 62.976 62.300 0.012 0.000 0.832 941 V CB 0.499 32.327 31.823 0.009 0.000 1.028 941 V HN 0.850 nan 8.190 nan 0.000 0.436 942 G N 5.432 114.237 108.800 0.009 0.000 4.240 942 G HA2 -0.214 3.744 3.960 -0.004 0.000 0.254 942 G HA3 -0.214 3.744 3.960 -0.004 0.000 0.254 942 G C 0.218 175.122 174.900 0.008 0.000 1.712 942 G CA 0.661 45.765 45.100 0.007 0.000 1.374 942 G HN 1.023 nan 8.290 nan 0.000 0.631 943 D N -0.518 119.887 120.400 0.007 0.000 2.559 943 D HA 0.251 4.889 4.640 -0.004 0.000 0.431 943 D C 0.192 176.497 176.300 0.007 0.000 1.221 943 D CA -0.034 53.971 54.000 0.007 0.000 1.007 943 D CB 0.791 41.594 40.800 0.006 0.000 1.539 943 D HN 0.313 nan 8.370 nan 0.000 0.407 944 Q N 0.463 120.268 119.800 0.007 0.000 2.528 944 Q HA 0.545 4.882 4.340 -0.004 0.000 0.289 944 Q C -1.344 174.661 176.000 0.009 0.000 1.091 944 Q CA -0.787 55.020 55.803 0.007 0.000 0.797 944 Q CB 2.607 31.348 28.738 0.006 0.000 1.466 944 Q HN 0.095 nan 8.270 nan 0.000 0.436 945 L N 1.673 122.902 121.223 0.010 0.000 2.296 945 L HA 0.518 4.856 4.340 -0.004 0.000 0.286 945 L C 0.002 176.878 176.870 0.011 0.000 1.023 945 L CA -0.927 53.920 54.840 0.011 0.000 0.812 945 L CB 1.571 43.637 42.059 0.012 0.000 1.223 945 L HN 0.362 nan 8.230 nan 0.000 0.421 946 V N -0.893 119.028 119.914 0.012 0.000 2.630 946 V HA 0.553 4.671 4.120 -0.004 0.000 0.305 946 V C -0.532 175.570 176.094 0.013 0.000 1.046 946 V CA -0.793 61.513 62.300 0.011 0.000 0.934 946 V CB 1.927 33.756 31.823 0.010 0.000 1.003 946 V HN 0.551 nan 8.190 nan 0.000 0.451 947 D N 3.202 123.609 120.400 0.013 0.000 2.255 947 D HA 0.603 5.241 4.640 -0.004 0.000 0.249 947 D C -0.005 176.304 176.300 0.016 0.000 1.078 947 D CA 0.096 54.104 54.000 0.014 0.000 0.896 947 D CB 2.006 42.813 40.800 0.013 0.000 1.194 947 D HN 0.992 nan 8.370 nan 0.000 0.429 948 V N -1.449 118.475 119.914 0.017 0.000 2.925 948 V HA 0.640 4.758 4.120 -0.004 0.000 0.311 948 V C -0.708 175.398 176.094 0.019 0.000 1.104 948 V CA -0.897 61.415 62.300 0.020 0.000 0.954 948 V CB 1.958 33.793 31.823 0.020 0.000 1.022 948 V HN 0.220 nan 8.190 nan 0.000 0.427 949 V N 3.741 123.668 119.914 0.022 0.000 2.417 949 V HA 0.412 4.530 4.120 -0.004 0.000 0.291 949 V C 0.290 176.395 176.094 0.019 0.000 1.024 949 V CA -0.643 61.667 62.300 0.018 0.000 0.861 949 V CB 1.668 33.500 31.823 0.015 0.000 0.985 949 V HN 0.841 nan 8.190 nan 0.000 0.436 950 V N 5.321 125.243 119.914 0.014 0.000 2.540 950 V HA 0.204 4.322 4.120 -0.004 0.000 0.297 950 V C 0.609 176.709 176.094 0.010 0.000 1.024 950 V CA 0.675 62.982 62.300 0.012 0.000 1.105 950 V CB 0.593 32.422 31.823 0.009 0.000 0.938 950 V HN 1.024 nan 8.190 nan 0.000 0.482 951 S N 2.977 118.684 115.700 0.011 0.000 2.740 951 S HA 0.480 4.948 4.470 -0.004 0.000 0.300 951 S C -0.610 173.988 174.600 -0.004 0.000 1.147 951 S CA -0.983 57.218 58.200 0.003 0.000 0.871 951 S CB 1.391 64.594 63.200 0.005 0.000 1.173 951 S HN 0.725 nan 8.310 nan 0.000 0.510 952 E N 1.561 121.750 120.200 -0.019 0.000 2.437 952 E HA 0.067 4.415 4.350 -0.004 0.000 0.263 952 E C 0.879 177.464 176.600 -0.026 0.000 1.030 952 E CA 0.282 56.666 56.400 -0.026 0.000 0.934 952 E CB 0.274 29.947 29.700 -0.046 0.000 0.943 952 E HN 0.604 nan 8.360 nan 0.000 0.444 953 T N 0.595 115.137 114.554 -0.020 0.000 2.788 953 T HA -0.062 4.286 4.350 -0.004 0.000 0.268 953 T C 0.957 175.624 174.700 -0.055 0.000 1.044 953 T CA 0.759 62.849 62.100 -0.015 0.000 1.139 953 T CB 0.192 69.063 68.868 0.006 0.000 0.867 953 T HN 0.170 nan 8.240 nan 0.000 0.454 954 V N 2.438 122.302 119.914 -0.083 0.000 2.294 954 V HA 0.302 4.420 4.120 -0.004 0.000 0.272 954 V C 0.812 176.819 176.094 -0.145 0.000 1.027 954 V CA -0.212 62.002 62.300 -0.143 0.000 0.823 954 V CB 0.994 32.726 31.823 -0.152 0.000 1.030 954 V HN 0.347 nan 8.190 nan 0.000 0.457 955 L N 3.581 124.700 121.223 -0.173 0.000 2.307 955 L HA 0.198 4.535 4.340 -0.004 0.000 0.211 955 L C 0.534 177.314 176.870 -0.149 0.000 1.099 955 L CA 0.775 55.508 54.840 -0.177 0.000 0.816 955 L CB 0.037 41.939 42.059 -0.262 0.000 0.952 955 L HN 0.530 nan 8.230 nan 0.000 0.455 956 Y N 1.044 121.166 120.300 -0.297 0.000 2.330 956 Y HA 0.184 4.732 4.550 -0.004 0.000 0.336 956 Y C 0.185 175.953 175.900 -0.221 0.000 1.036 956 Y CA -1.459 56.485 58.100 -0.261 0.000 1.125 956 Y CB 0.673 38.958 38.460 -0.291 0.000 1.194 956 Y HN 0.101 nan 8.280 nan 0.000 0.469 957 D N 6.745 126.685 120.400 -0.768 0.000 2.755 957 D HA -0.182 4.455 4.640 -0.004 0.000 0.227 957 D C -1.779 174.337 176.300 -0.307 0.000 1.211 957 D CA 0.641 54.303 54.000 -0.564 0.000 0.663 957 D CB 0.158 40.584 40.800 -0.625 0.000 0.983 957 D HN 0.489 nan 8.370 nan 0.000 0.407 958 P HA -0.204 nan 4.420 nan 0.000 0.218 958 P C 0.841 178.039 177.300 -0.169 0.000 1.146 958 P CA 1.603 64.592 63.100 -0.186 0.000 0.813 958 P CB -0.060 31.546 31.700 -0.158 0.000 0.778 959 E N -0.388 119.707 120.200 -0.175 0.000 2.394 959 E HA 0.261 4.609 4.350 -0.004 0.000 0.191 959 E C 0.888 177.383 176.600 -0.174 0.000 1.044 959 E CA -0.064 56.241 56.400 -0.159 0.000 0.939 959 E CB -1.089 28.527 29.700 -0.141 0.000 1.089 959 E HN 0.065 nan 8.360 nan 0.000 0.456 960 G N 1.361 110.049 108.800 -0.187 0.000 2.390 960 G HA2 -0.364 3.594 3.960 -0.004 0.000 0.299 960 G HA3 -0.364 3.594 3.960 -0.004 0.000 0.299 960 G C 0.744 175.528 174.900 -0.192 0.000 1.002 960 G CA 0.658 45.642 45.100 -0.193 0.000 0.979 960 G HN 0.357 nan 8.290 nan 0.000 0.513 961 S N -0.768 114.822 115.700 -0.183 0.000 2.442 961 S HA -0.071 4.397 4.470 -0.004 0.000 0.236 961 S C 2.223 176.736 174.600 -0.144 0.000 1.007 961 S CA 1.434 59.538 58.200 -0.160 0.000 0.965 961 S CB -0.060 63.044 63.200 -0.158 0.000 0.773 961 S HN 0.760 nan 8.310 nan 0.000 0.504 962 R N 0.526 120.941 120.500 -0.142 0.000 2.362 962 R HA 0.268 4.606 4.340 -0.004 0.000 0.227 962 R C 2.046 178.279 176.300 -0.111 0.000 0.905 962 R CA -0.190 55.847 56.100 -0.106 0.000 1.067 962 R CB -0.064 30.196 30.300 -0.067 0.000 1.078 962 R HN 0.219 nan 8.270 nan 0.000 0.516 963 R N 1.452 121.856 120.500 -0.160 0.000 2.185 963 R HA -0.185 4.152 4.340 -0.004 0.000 0.247 963 R C 0.042 176.233 176.300 -0.181 0.000 1.159 963 R CA 1.828 57.800 56.100 -0.213 0.000 0.988 963 R CB 0.084 30.136 30.300 -0.413 0.000 0.871 963 R HN 0.123 nan 8.270 nan 0.000 0.458 964 D N -1.185 119.126 120.400 -0.150 0.000 2.433 964 D HA 0.255 4.893 4.640 -0.004 0.000 0.211 964 D C 0.293 176.553 176.300 -0.068 0.000 1.114 964 D CA 0.934 54.874 54.000 -0.101 0.000 0.837 964 D CB 1.295 42.041 40.800 -0.089 0.000 0.984 964 D HN 0.469 nan 8.370 nan 0.000 0.505 965 G N 0.000 108.758 108.800 -0.070 0.000 5.446 965 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 965 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 965 G CA 0.000 45.068 45.100 -0.054 0.000 0.502 965 G HN 0.000 nan 8.290 nan 0.000 0.925