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 3a6p_1_A DATA FIRST_RESID 2 DATA SEQUENCE AMDQVNALCE QLVKAVTVMM DPNSTQRYRL EALKFCEEFK EKCPICVPCG DATA SEQUENCE LRLAEKTQVA IVRHFGLQIL EHVVKFRWNG MSRLEKVYLK NSVMELIANG DATA SEQUENCE TLNILEEENH IKDALSRIVV EMIKREWPQH WPDMLIELDT LSKQGETQTE DATA SEQUENCE LVMFILLRLA EDVVTFQTLP PQRRRDIQQT LTQNMERIFS FLLNTLQENV DATA SEQUENCE NKYQQVKTDT SQESKAQANC RVGVAALNTL AGYIDWVSMS HITAENCKLL DATA SEQUENCE EILCLLLNEQ ELQLGAAECL LIAVSRKGKL EDRKPLMVLF GDVAMHYILS DATA SEQUENCE AAQTADGGGL VEKHYVFLKR LCQVLCALGN QLCALLGADS DVETPSNFGK DATA SEQUENCE YLESFLAFTT HPSQFLRSST QMTWGALFRH EILSRDPLLL AIIPKYLRAS DATA SEQUENCE MTNLVKMGFP SKTDSPSCEY SRFDFDSDED FNAFFNSSRA QQGEVMRLAC DATA SEQUENCE RLDPKTSFQM AGEWLKYQLS TFXXXXXXXX XXXXXXXXXS LCSVFSPSFV DATA SEQUENCE QWEAMTLFLE SVITQMFRTL NREEIPVNDG IELLQMVLNF DTKDPLILSC DATA SEQUENCE VLTNVSALFP FVTYRPEFLP QVFSKLFSSV TFETVEESKA PRTRAVRNVR DATA SEQUENCE RHACSSIIKM CRDYPQLVLP NFDMLYNHVK QLLSNELLLT QMEKCALMEA DATA SEQUENCE LVLISNQFKN YERQKVFLEE LMAPVASIWL SQDMHRVLSD VDAFIAYVGT DATA SEQUENCE DQKXXDPGLE DPCGLNRARM SFCVYSILGV VKRTCWPTDL EEAKAGGFVV DATA SEQUENCE GYTSSGNPIF RNPCTEQILK LLDNLLALIR THNTLYAPEM LAKMAEPFTK DATA SEQUENCE ALDMLDAEKS AILGLPQPLL ELNDSPVFKT VLERMQRFFS TLYENCFHIL DATA SEQUENCE GKAGPSMQQD FYTVEDLATQ LLSSAFVNLN NIPDYRLRPM LRVFVKPLVL DATA SEQUENCE FCPPEHYEAL VSPILGPLFT YLHMRLSQKW QVINQRXXXX XXXXXXXXXX DATA SEQUENCE ESQEMLEEQL VRMLTREVMD LITVCCVSXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXEL TDLGKCLMKH EDVCTALLIT AFNSLAWKDT LScQRTTSQL DATA SEQUENCE CWPLLKQVLS GTLLADAVTW LFTSVLKGLQ MHGQHDGcMA SLVHLAFQIY DATA SEQUENCE EALRPRYLEI RAVMEQIPEI QKDSLDQFDC KLLNP 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.596 177.584 0.021 0.000 1.274 2 A CA 0.000 52.045 52.037 0.013 0.000 0.836 2 A CB 0.000 19.005 19.000 0.008 0.000 0.831 3 M N 0.008 119.623 119.600 0.025 0.000 2.749 3 M HA 0.473 4.953 4.480 0.001 0.000 0.240 3 M C -0.105 176.226 176.300 0.052 0.000 1.285 3 M CA 2.059 57.381 55.300 0.038 0.000 1.267 3 M CB 0.646 33.267 32.600 0.035 0.000 1.184 3 M HN 0.324 nan 8.290 nan 0.000 0.526 4 D N -1.302 119.131 120.400 0.055 0.000 2.639 4 D HA 0.229 4.870 4.640 0.001 0.000 0.271 4 D C -1.912 174.422 176.300 0.057 0.000 1.254 4 D CA -0.482 53.557 54.000 0.065 0.000 0.810 4 D CB 1.234 42.090 40.800 0.094 0.000 1.351 4 D HN 0.253 nan 8.370 nan 0.000 0.427 5 Q N 1.188 121.021 119.800 0.055 0.000 2.235 5 Q HA 0.380 4.720 4.340 0.001 0.000 0.256 5 Q C 0.495 176.531 176.000 0.060 0.000 0.951 5 Q CA -0.696 55.136 55.803 0.048 0.000 0.890 5 Q CB 1.957 30.716 28.738 0.036 0.000 1.279 5 Q HN 0.428 nan 8.270 nan 0.000 0.444 6 V N 3.370 123.318 119.914 0.057 0.000 2.282 6 V HA -0.359 3.762 4.120 0.001 0.000 0.249 6 V C 1.808 177.939 176.094 0.063 0.000 1.057 6 V CA 2.227 64.568 62.300 0.069 0.000 1.032 6 V CB -0.692 31.167 31.823 0.060 0.000 0.645 6 V HN 0.747 nan 8.190 nan 0.000 0.447 7 N N 0.644 119.373 118.700 0.047 0.000 2.104 7 N HA -0.154 4.587 4.740 0.001 0.000 0.190 7 N C 1.928 177.461 175.510 0.039 0.000 1.024 7 N CA 1.824 54.898 53.050 0.039 0.000 0.853 7 N CB -0.533 37.971 38.487 0.029 0.000 1.008 7 N HN 0.533 nan 8.380 nan 0.000 0.424 8 A N 1.539 124.386 122.820 0.044 0.000 1.877 8 A HA -0.036 4.284 4.320 0.001 0.000 0.216 8 A C 2.464 180.083 177.584 0.059 0.000 1.186 8 A CA 0.860 52.923 52.037 0.044 0.000 0.620 8 A CB -0.793 18.235 19.000 0.047 0.000 0.822 8 A HN 0.183 nan 8.150 nan 0.000 0.443 9 L N -0.791 120.482 121.223 0.083 0.000 2.017 9 L HA -0.262 4.078 4.340 0.001 0.000 0.208 9 L C 2.753 179.656 176.870 0.054 0.000 1.073 9 L CA 1.390 56.289 54.840 0.097 0.000 0.745 9 L CB -0.557 41.569 42.059 0.112 0.000 0.894 9 L HN 0.511 nan 8.230 nan 0.000 0.432 10 C N -0.255 119.073 119.300 0.047 0.000 2.403 10 C HA -0.227 4.233 4.460 0.001 0.000 0.277 10 C C 2.735 177.743 174.990 0.031 0.000 1.248 10 C CA 1.327 60.369 59.018 0.040 0.000 1.762 10 C CB -0.862 26.907 27.740 0.048 0.000 2.014 10 C HN 0.594 nan 8.230 nan 0.000 0.486 11 E N 0.537 120.749 120.200 0.020 0.000 2.058 11 E HA -0.293 4.057 4.350 0.001 0.000 0.194 11 E C 2.033 178.612 176.600 -0.034 0.000 0.997 11 E CA 1.604 58.001 56.400 -0.005 0.000 0.801 11 E CB -0.214 29.480 29.700 -0.010 0.000 0.746 11 E HN 0.701 nan 8.360 nan 0.000 0.450 12 Q N 0.160 119.938 119.800 -0.035 0.000 2.172 12 Q HA -0.050 4.290 4.340 0.001 0.000 0.200 12 Q C 2.424 178.375 176.000 -0.080 0.000 0.964 12 Q CA 1.082 56.807 55.803 -0.130 0.000 0.855 12 Q CB 0.015 28.625 28.738 -0.212 0.000 0.918 12 Q HN 0.355 nan 8.270 nan 0.000 0.444 13 L N -0.208 121.046 121.223 0.052 0.000 2.046 13 L HA -0.170 4.171 4.340 0.001 0.000 0.208 13 L C 2.264 179.143 176.870 0.016 0.000 1.077 13 L CA 0.690 55.588 54.840 0.097 0.000 0.747 13 L CB -0.492 41.624 42.059 0.095 0.000 0.896 13 L HN 0.098 nan 8.230 nan 0.000 0.432 14 V N -0.166 119.754 119.914 0.011 0.000 2.392 14 V HA -0.271 3.850 4.120 0.001 0.000 0.249 14 V C 2.578 178.622 176.094 -0.084 0.000 1.059 14 V CA 1.568 63.857 62.300 -0.018 0.000 1.051 14 V CB -0.535 31.287 31.823 -0.003 0.000 0.658 14 V HN 0.396 nan 8.190 nan 0.000 0.455 15 K N 0.209 120.542 120.400 -0.111 0.000 2.155 15 K HA 0.028 4.349 4.320 0.001 0.000 0.203 15 K C 2.222 178.711 176.600 -0.184 0.000 1.052 15 K CA 1.424 57.619 56.287 -0.153 0.000 0.948 15 K CB -0.615 31.778 32.500 -0.178 0.000 0.728 15 K HN 0.491 nan 8.250 nan 0.000 0.448 16 A N 0.891 123.592 122.820 -0.197 0.000 1.929 16 A HA -0.073 4.247 4.320 0.001 0.000 0.216 16 A C 2.337 179.773 177.584 -0.248 0.000 1.176 16 A CA 1.275 53.193 52.037 -0.198 0.000 0.628 16 A CB -0.580 18.346 19.000 -0.123 0.000 0.816 16 A HN 0.098 nan 8.150 nan 0.000 0.444 17 V N -0.058 119.658 119.914 -0.329 0.000 2.548 17 V HA -0.144 3.976 4.120 0.001 0.000 0.249 17 V C 2.395 178.364 176.094 -0.209 0.000 1.055 17 V CA 2.839 64.902 62.300 -0.395 0.000 1.065 17 V CB -0.736 30.807 31.823 -0.467 0.000 0.681 17 V HN 0.618 nan 8.190 nan 0.000 0.462 18 T N -0.466 113.995 114.554 -0.156 0.000 2.857 18 T HA -0.098 4.252 4.350 0.001 0.000 0.266 18 T C 1.858 176.493 174.700 -0.108 0.000 1.048 18 T CA 1.592 63.625 62.100 -0.111 0.000 1.139 18 T CB -0.100 68.711 68.868 -0.096 0.000 0.874 18 T HN 0.354 nan 8.240 nan 0.000 0.455 19 V N 1.496 121.336 119.914 -0.124 0.000 2.548 19 V HA -0.058 4.063 4.120 0.001 0.000 0.249 19 V C 2.379 178.428 176.094 -0.075 0.000 1.055 19 V CA 1.361 63.600 62.300 -0.101 0.000 1.065 19 V CB -0.556 31.197 31.823 -0.117 0.000 0.681 19 V HN 0.498 nan 8.190 nan 0.000 0.462 20 M N -1.465 118.076 119.600 -0.099 0.000 2.319 20 M HA -0.065 4.416 4.480 0.001 0.000 0.265 20 M C 1.802 178.058 176.300 -0.073 0.000 1.068 20 M CA 1.343 56.592 55.300 -0.084 0.000 1.118 20 M CB -0.140 32.388 32.600 -0.121 0.000 1.395 20 M HN 0.251 nan 8.290 nan 0.000 0.435 21 M N -0.815 118.737 119.600 -0.081 0.000 2.441 21 M HA 0.100 4.580 4.480 0.001 0.000 0.244 21 M C 0.075 176.343 176.300 -0.054 0.000 1.122 21 M CA 0.363 55.621 55.300 -0.070 0.000 1.041 21 M CB -0.585 31.968 32.600 -0.078 0.000 1.438 21 M HN -0.041 nan 8.290 nan 0.000 0.484 22 D N 2.964 123.334 120.400 -0.051 0.000 2.368 22 D HA 0.039 4.679 4.640 0.001 0.000 0.268 22 D C -1.493 174.792 176.300 -0.025 0.000 1.298 22 D CA -1.321 52.657 54.000 -0.037 0.000 0.938 22 D CB 1.291 42.069 40.800 -0.037 0.000 1.101 22 D HN 0.091 nan 8.370 nan 0.000 0.509 23 P HA -0.150 nan 4.420 nan 0.000 0.216 23 P C -0.112 177.182 177.300 -0.009 0.000 1.150 23 P CA 1.021 64.111 63.100 -0.017 0.000 0.837 23 P CB -0.004 31.686 31.700 -0.017 0.000 0.786 24 N N -0.370 118.326 118.700 -0.007 0.000 2.920 24 N HA 0.186 4.926 4.740 0.001 0.000 0.310 24 N C -0.318 175.199 175.510 0.013 0.000 1.384 24 N CA -0.495 52.556 53.050 0.001 0.000 1.083 24 N CB -0.239 38.248 38.487 0.000 0.000 1.389 24 N HN 0.029 nan 8.380 nan 0.000 0.521 25 S N -1.110 114.602 115.700 0.020 0.000 2.549 25 S HA 0.450 4.920 4.470 0.001 0.000 0.297 25 S C 0.149 174.793 174.600 0.072 0.000 1.115 25 S CA -0.763 57.470 58.200 0.055 0.000 1.059 25 S CB 0.730 63.960 63.200 0.049 0.000 1.046 25 S HN 0.269 nan 8.310 nan 0.000 0.506 26 T N 2.346 116.976 114.554 0.127 0.000 2.923 26 T HA -0.013 4.337 4.350 0.001 0.000 0.304 26 T C 1.263 175.978 174.700 0.025 0.000 1.044 26 T CA 0.530 62.657 62.100 0.046 0.000 1.141 26 T CB 0.176 69.009 68.868 -0.059 0.000 1.023 26 T HN 0.890 nan 8.240 nan 0.000 0.533 27 Q N 2.488 122.277 119.800 -0.018 0.000 2.170 27 Q HA -0.168 4.172 4.340 0.001 0.000 0.203 27 Q C 2.265 178.246 176.000 -0.032 0.000 0.976 27 Q CA 1.414 57.206 55.803 -0.017 0.000 0.858 27 Q CB -0.052 28.671 28.738 -0.025 0.000 0.907 27 Q HN 0.537 nan 8.270 nan 0.000 0.433 28 R N -0.634 119.808 120.500 -0.096 0.000 2.066 28 R HA -0.108 4.232 4.340 0.001 0.000 0.232 28 R C 2.020 178.274 176.300 -0.076 0.000 1.131 28 R CA 1.709 57.732 56.100 -0.128 0.000 0.955 28 R CB -0.615 29.542 30.300 -0.238 0.000 0.851 28 R HN 0.526 nan 8.270 nan 0.000 0.432 29 Y N 0.410 120.693 120.300 -0.029 0.000 2.207 29 Y HA -0.221 4.329 4.550 0.001 0.000 0.287 29 Y C 2.677 178.553 175.900 -0.041 0.000 1.156 29 Y CA 1.113 59.189 58.100 -0.040 0.000 1.182 29 Y CB -0.062 38.370 38.460 -0.048 0.000 0.979 29 Y HN 0.088 nan 8.280 nan 0.000 0.521 30 R N 0.293 120.866 120.500 0.122 0.000 2.103 30 R HA -0.229 4.112 4.340 0.001 0.000 0.234 30 R C 2.184 178.508 176.300 0.040 0.000 1.132 30 R CA 2.030 58.163 56.100 0.053 0.000 0.925 30 R CB -0.956 29.361 30.300 0.029 0.000 0.842 30 R HN 0.320 nan 8.270 nan 0.000 0.430 31 L N 0.655 121.896 121.223 0.031 0.000 2.043 31 L HA -0.217 4.123 4.340 0.001 0.000 0.212 31 L C 2.400 179.298 176.870 0.047 0.000 1.075 31 L CA 1.357 56.215 54.840 0.029 0.000 0.752 31 L CB -0.413 41.655 42.059 0.014 0.000 0.891 31 L HN 0.114 nan 8.230 nan 0.000 0.432 32 E N -0.072 120.163 120.200 0.058 0.000 2.106 32 E HA -0.147 4.204 4.350 0.001 0.000 0.192 32 E C 2.244 178.896 176.600 0.086 0.000 0.984 32 E CA 1.245 57.689 56.400 0.074 0.000 0.806 32 E CB -0.319 29.427 29.700 0.076 0.000 0.750 32 E HN 0.450 nan 8.360 nan 0.000 0.458 33 A N 0.463 123.318 122.820 0.058 0.000 1.855 33 A HA -0.151 4.169 4.320 0.001 0.000 0.215 33 A C 2.228 179.869 177.584 0.095 0.000 1.191 33 A CA 1.387 53.451 52.037 0.044 0.000 0.613 33 A CB -0.899 18.088 19.000 -0.022 0.000 0.829 33 A HN 0.302 nan 8.150 nan 0.000 0.442 34 L N -0.103 121.155 121.223 0.057 0.000 2.021 34 L HA -0.239 4.101 4.340 0.001 0.000 0.215 34 L C 2.452 179.374 176.870 0.086 0.000 1.074 34 L CA 2.633 57.508 54.840 0.057 0.000 0.760 34 L CB -0.298 41.781 42.059 0.033 0.000 0.889 34 L HN 0.450 nan 8.230 nan 0.000 0.433 35 K N -1.512 118.947 120.400 0.097 0.000 2.148 35 K HA -0.221 4.099 4.320 0.001 0.000 0.204 35 K C 2.162 178.850 176.600 0.147 0.000 1.050 35 K CA 1.431 57.776 56.287 0.097 0.000 0.942 35 K CB -0.275 32.275 32.500 0.084 0.000 0.724 35 K HN 0.315 nan 8.250 nan 0.000 0.446 36 F N 1.276 121.243 119.950 0.028 0.000 2.095 36 F HA -0.299 4.229 4.527 0.001 0.000 0.298 36 F C 2.150 178.004 175.800 0.091 0.000 1.104 36 F CA 1.497 59.522 58.000 0.042 0.000 1.232 36 F CB -0.526 38.476 39.000 0.003 0.000 0.987 36 F HN 0.071 nan 8.300 nan 0.000 0.475 37 C N -0.023 119.353 119.300 0.127 0.000 2.466 37 C HA -0.091 4.369 4.460 0.001 0.000 0.278 37 C C 2.623 177.656 174.990 0.073 0.000 1.288 37 C CA 0.853 59.939 59.018 0.113 0.000 1.722 37 C CB -0.998 26.869 27.740 0.212 0.000 2.017 37 C HN 0.428 nan 8.230 nan 0.000 0.488 38 E N 1.162 121.372 120.200 0.017 0.000 2.038 38 E HA -0.195 4.156 4.350 0.001 0.000 0.195 38 E C 1.973 178.533 176.600 -0.066 0.000 1.000 38 E CA 1.410 57.777 56.400 -0.054 0.000 0.803 38 E CB -0.383 29.295 29.700 -0.037 0.000 0.750 38 E HN 0.566 nan 8.360 nan 0.000 0.448 39 E N -0.568 119.609 120.200 -0.038 0.000 2.058 39 E HA -0.167 4.184 4.350 0.001 0.000 0.194 39 E C 1.812 178.369 176.600 -0.072 0.000 0.997 39 E CA 1.102 57.474 56.400 -0.047 0.000 0.801 39 E CB -0.423 29.263 29.700 -0.024 0.000 0.746 39 E HN 0.294 nan 8.360 nan 0.000 0.450 40 F N 1.448 121.225 119.950 -0.289 0.000 2.091 40 F HA -0.212 4.316 4.527 0.001 0.000 0.299 40 F C 1.668 177.361 175.800 -0.178 0.000 1.103 40 F CA 1.719 59.539 58.000 -0.300 0.000 1.228 40 F CB -0.050 38.681 39.000 -0.448 0.000 0.984 40 F HN -0.089 nan 8.300 nan 0.000 0.477 41 K N -0.167 120.045 120.400 -0.314 0.000 2.439 41 K HA -0.081 4.239 4.320 0.001 0.000 0.197 41 K C 1.753 178.222 176.600 -0.219 0.000 1.041 41 K CA 1.270 57.297 56.287 -0.433 0.000 0.970 41 K CB -0.084 32.070 32.500 -0.577 0.000 0.773 41 K HN 0.499 nan 8.250 nan 0.000 0.479 42 E N 0.060 120.163 120.200 -0.162 0.000 2.206 42 E HA 0.002 4.352 4.350 0.001 0.000 0.195 42 E C 1.447 178.003 176.600 -0.074 0.000 0.935 42 E CA 0.512 56.876 56.400 -0.060 0.000 0.875 42 E CB 0.438 30.111 29.700 -0.045 0.000 0.841 42 E HN 0.135 nan 8.360 nan 0.000 0.477 43 K N 0.167 120.502 120.400 -0.108 0.000 2.287 43 K HA 0.140 4.461 4.320 0.001 0.000 0.199 43 K C 0.872 177.406 176.600 -0.111 0.000 1.061 43 K CA -0.081 56.157 56.287 -0.081 0.000 0.976 43 K CB 0.296 32.767 32.500 -0.048 0.000 0.898 43 K HN -0.009 nan 8.250 nan 0.000 0.492 44 C N 4.707 123.895 119.300 -0.187 0.000 2.590 44 C HA 0.054 4.515 4.460 0.001 0.000 0.411 44 C C -0.931 173.958 174.990 -0.169 0.000 1.420 44 C CA -1.423 57.487 59.018 -0.179 0.000 1.643 44 C CB 0.345 27.923 27.740 -0.270 0.000 2.528 44 C HN 0.373 nan 8.230 nan 0.000 0.606 45 P HA 0.020 nan 4.420 nan 0.000 0.226 45 P C 0.480 177.757 177.300 -0.038 0.000 1.161 45 P CA 1.138 64.204 63.100 -0.057 0.000 0.804 45 P CB -0.144 31.536 31.700 -0.034 0.000 0.829 46 I N -3.176 117.387 120.570 -0.011 0.000 3.764 46 I HA 0.249 4.419 4.170 0.001 0.000 0.336 46 I C 1.326 177.475 176.117 0.054 0.000 1.465 46 I CA -0.469 60.849 61.300 0.031 0.000 1.221 46 I CB -1.157 36.880 38.000 0.061 0.000 1.348 46 I HN -0.249 nan 8.210 nan 0.000 0.432 47 C N 0.141 119.412 119.300 -0.049 0.000 2.453 47 C HA -0.110 4.350 4.460 0.001 0.000 0.277 47 C C 2.727 177.755 174.990 0.063 0.000 1.262 47 C CA 0.764 59.734 59.018 -0.079 0.000 1.718 47 C CB -0.503 27.070 27.740 -0.279 0.000 2.031 47 C HN 0.640 nan 8.230 nan 0.000 0.480 48 V N 1.934 121.884 119.914 0.061 0.000 2.343 48 V HA -0.135 3.986 4.120 0.001 0.000 0.247 48 V C -0.175 175.996 176.094 0.128 0.000 1.051 48 V CA 2.237 64.594 62.300 0.096 0.000 1.036 48 V CB -1.899 30.004 31.823 0.134 0.000 0.654 48 V HN 0.400 nan 8.190 nan 0.000 0.451 49 P HA -0.094 nan 4.420 nan 0.000 0.216 49 P C 1.833 179.206 177.300 0.121 0.000 1.153 49 P CA 1.473 64.661 63.100 0.146 0.000 0.848 49 P CB -0.194 31.576 31.700 0.117 0.000 0.787 50 C N -0.741 118.647 119.300 0.145 0.000 2.432 50 C HA -0.038 4.422 4.460 0.001 0.000 0.277 50 C C 2.997 178.056 174.990 0.115 0.000 1.249 50 C CA 1.650 60.763 59.018 0.157 0.000 1.725 50 C CB -2.004 25.909 27.740 0.288 0.000 2.028 50 C HN 0.297 nan 8.230 nan 0.000 0.477 51 G N 0.206 109.070 108.800 0.106 0.000 2.421 51 G HA2 -0.156 3.804 3.960 0.001 0.000 0.216 51 G HA3 -0.156 3.804 3.960 0.001 0.000 0.216 51 G C 1.539 176.450 174.900 0.019 0.000 1.171 51 G CA 0.554 45.675 45.100 0.035 0.000 0.775 51 G HN 0.531 nan 8.290 nan 0.000 0.543 52 L N -0.310 120.931 121.223 0.030 0.000 2.201 52 L HA 0.050 4.390 4.340 0.001 0.000 0.212 52 L C 2.872 179.758 176.870 0.027 0.000 1.105 52 L CA 0.818 55.666 54.840 0.013 0.000 0.775 52 L CB -0.237 41.827 42.059 0.009 0.000 0.913 52 L HN 0.191 nan 8.230 nan 0.000 0.440 53 R N 0.581 121.109 120.500 0.047 0.000 2.055 53 R HA -0.080 4.261 4.340 0.001 0.000 0.226 53 R C 2.296 178.622 176.300 0.044 0.000 1.135 53 R CA 1.073 57.201 56.100 0.048 0.000 0.959 53 R CB -0.132 30.203 30.300 0.058 0.000 0.854 53 R HN 0.247 nan 8.270 nan 0.000 0.431 54 L N 0.456 121.709 121.223 0.051 0.000 2.191 54 L HA -0.039 4.302 4.340 0.001 0.000 0.212 54 L C 2.088 178.991 176.870 0.055 0.000 1.103 54 L CA 0.916 55.795 54.840 0.064 0.000 0.769 54 L CB -0.311 41.801 42.059 0.088 0.000 0.908 54 L HN 0.283 nan 8.230 nan 0.000 0.438 55 A N -0.619 122.220 122.820 0.032 0.000 2.276 55 A HA 0.071 4.392 4.320 0.001 0.000 0.212 55 A C 0.616 178.210 177.584 0.016 0.000 1.230 55 A CA 0.135 52.182 52.037 0.018 0.000 0.844 55 A CB -0.354 18.640 19.000 -0.010 0.000 0.860 55 A HN 0.335 nan 8.150 nan 0.000 0.486 56 E N -0.216 119.999 120.200 0.025 0.000 2.227 56 E HA 0.249 4.599 4.350 0.001 0.000 0.268 56 E C 0.492 177.103 176.600 0.018 0.000 0.990 56 E CA -0.654 55.756 56.400 0.017 0.000 0.856 56 E CB 0.938 30.649 29.700 0.017 0.000 1.159 56 E HN 0.363 nan 8.360 nan 0.000 0.401 57 K N 0.135 120.541 120.400 0.009 0.000 2.442 57 K HA -0.095 4.225 4.320 0.001 0.000 0.199 57 K C 1.170 177.777 176.600 0.012 0.000 1.044 57 K CA 1.159 57.450 56.287 0.006 0.000 0.941 57 K CB -0.178 32.321 32.500 -0.002 0.000 0.759 57 K HN 0.290 nan 8.250 nan 0.000 0.472 58 T N 0.587 115.150 114.554 0.016 0.000 3.014 58 T HA -0.054 4.296 4.350 0.001 0.000 0.263 58 T C 0.855 175.569 174.700 0.022 0.000 1.078 58 T CA 0.665 62.775 62.100 0.017 0.000 1.135 58 T CB 0.056 68.934 68.868 0.017 0.000 0.895 58 T HN 0.211 nan 8.240 nan 0.000 0.480 59 Q N 0.791 120.609 119.800 0.031 0.000 2.414 59 Q HA 0.359 4.700 4.340 0.001 0.000 0.206 59 Q C -0.257 175.769 176.000 0.044 0.000 1.058 59 Q CA -0.228 55.598 55.803 0.039 0.000 1.025 59 Q CB 0.467 29.238 28.738 0.055 0.000 1.196 59 Q HN 0.131 nan 8.270 nan 0.000 0.586 60 V N 1.433 121.377 119.914 0.049 0.000 2.775 60 V HA 0.181 4.302 4.120 0.001 0.000 0.299 60 V C 1.074 177.221 176.094 0.089 0.000 1.062 60 V CA 0.332 62.664 62.300 0.054 0.000 1.063 60 V CB 0.664 32.511 31.823 0.040 0.000 0.994 60 V HN 0.968 nan 8.190 nan 0.000 0.483 61 A N 3.502 126.386 122.820 0.105 0.000 1.884 61 A HA -0.194 4.127 4.320 0.001 0.000 0.219 61 A C 1.879 179.614 177.584 0.252 0.000 1.197 61 A CA 2.244 54.392 52.037 0.184 0.000 0.637 61 A CB -0.797 18.337 19.000 0.224 0.000 0.827 61 A HN 0.821 nan 8.150 nan 0.000 0.450 62 I N -0.246 120.414 120.570 0.150 0.000 2.147 62 I HA -0.324 3.846 4.170 0.001 0.000 0.245 62 I C 2.379 178.597 176.117 0.169 0.000 1.059 62 I CA 1.997 63.351 61.300 0.090 0.000 1.320 62 I CB -0.625 37.387 38.000 0.020 0.000 1.021 62 I HN 0.207 nan 8.210 nan 0.000 0.415 63 V N -0.062 119.941 119.914 0.149 0.000 2.323 63 V HA -0.197 3.924 4.120 0.001 0.000 0.244 63 V C 2.496 178.720 176.094 0.216 0.000 1.041 63 V CA 1.655 64.063 62.300 0.179 0.000 1.025 63 V CB -0.865 31.028 31.823 0.118 0.000 0.656 63 V HN 0.321 nan 8.190 nan 0.000 0.451 64 R N -0.428 120.176 120.500 0.172 0.000 2.094 64 R HA -0.230 4.110 4.340 0.001 0.000 0.239 64 R C 2.476 178.882 176.300 0.178 0.000 1.137 64 R CA 2.012 58.197 56.100 0.141 0.000 0.943 64 R CB -0.816 29.549 30.300 0.108 0.000 0.850 64 R HN 0.588 nan 8.270 nan 0.000 0.433 65 H N -0.088 119.088 119.070 0.176 0.000 2.390 65 H HA -0.187 4.369 4.556 0.001 0.000 0.298 65 H C 1.809 177.245 175.328 0.180 0.000 1.106 65 H CA 1.842 58.006 56.048 0.193 0.000 1.297 65 H CB -0.067 29.846 29.762 0.252 0.000 1.375 65 H HN 0.183 nan 8.280 nan 0.000 0.509 66 F N 1.049 121.104 119.950 0.174 0.000 2.259 66 F HA 0.068 4.595 4.527 0.001 0.000 0.298 66 F C 2.470 178.306 175.800 0.061 0.000 1.088 66 F CA 1.152 59.219 58.000 0.113 0.000 1.358 66 F CB -0.635 38.423 39.000 0.098 0.000 1.040 66 F HN 0.132 nan 8.300 nan 0.000 0.505 67 G N 1.063 109.836 108.800 -0.045 0.000 2.433 67 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 67 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 67 G C 1.787 176.598 174.900 -0.149 0.000 1.186 67 G CA 1.136 46.163 45.100 -0.123 0.000 0.779 67 G HN 0.416 nan 8.290 nan 0.000 0.543 68 L N -0.076 121.077 121.223 -0.115 0.000 2.079 68 L HA -0.163 4.177 4.340 0.001 0.000 0.210 68 L C 2.996 179.768 176.870 -0.163 0.000 1.081 68 L CA 1.477 56.236 54.840 -0.135 0.000 0.752 68 L CB -0.428 41.541 42.059 -0.150 0.000 0.896 68 L HN 0.300 nan 8.230 nan 0.000 0.433 69 Q N 0.269 119.937 119.800 -0.219 0.000 2.119 69 Q HA -0.194 4.146 4.340 0.001 0.000 0.201 69 Q C 2.302 178.236 176.000 -0.110 0.000 0.972 69 Q CA 1.391 57.103 55.803 -0.153 0.000 0.847 69 Q CB -0.001 28.686 28.738 -0.086 0.000 0.903 69 Q HN 0.533 nan 8.270 nan 0.000 0.433 70 I N 0.440 120.872 120.570 -0.229 0.000 2.113 70 I HA -0.349 3.821 4.170 0.001 0.000 0.238 70 I C 2.198 178.312 176.117 -0.005 0.000 1.070 70 I CA 1.144 62.372 61.300 -0.119 0.000 1.332 70 I CB -0.406 37.506 38.000 -0.147 0.000 1.044 70 I HN 0.199 nan 8.210 nan 0.000 0.402 71 L N 0.344 121.547 121.223 -0.033 0.000 2.013 71 L HA -0.270 4.071 4.340 0.001 0.000 0.212 71 L C 2.673 179.546 176.870 0.006 0.000 1.073 71 L CA 1.759 56.596 54.840 -0.004 0.000 0.753 71 L CB -0.836 41.207 42.059 -0.026 0.000 0.890 71 L HN 0.355 nan 8.230 nan 0.000 0.432 72 E N -0.100 120.092 120.200 -0.014 0.000 2.097 72 E HA -0.341 4.010 4.350 0.001 0.000 0.196 72 E C 2.135 178.766 176.600 0.052 0.000 1.000 72 E CA 1.870 58.267 56.400 -0.004 0.000 0.804 72 E CB -0.101 29.591 29.700 -0.013 0.000 0.740 72 E HN 0.593 nan 8.360 nan 0.000 0.454 73 H N -0.448 118.639 119.070 0.029 0.000 2.423 73 H HA -0.061 4.496 4.556 0.001 0.000 0.297 73 H C 1.888 177.301 175.328 0.141 0.000 1.075 73 H CA 1.637 57.749 56.048 0.106 0.000 1.342 73 H CB 0.050 29.831 29.762 0.033 0.000 1.395 73 H HN 0.031 nan 8.280 nan 0.000 0.530 74 V N -0.307 119.652 119.914 0.075 0.000 2.307 74 V HA -0.226 3.895 4.120 0.001 0.000 0.245 74 V C 2.468 178.619 176.094 0.096 0.000 1.045 74 V CA 1.536 63.882 62.300 0.076 0.000 1.024 74 V CB -0.449 31.436 31.823 0.103 0.000 0.651 74 V HN 0.363 nan 8.190 nan 0.000 0.449 75 V N -0.146 119.795 119.914 0.045 0.000 2.490 75 V HA -0.255 3.866 4.120 0.001 0.000 0.250 75 V C 2.334 178.327 176.094 -0.168 0.000 1.061 75 V CA 2.215 64.466 62.300 -0.082 0.000 1.064 75 V CB -0.656 30.974 31.823 -0.323 0.000 0.670 75 V HN 0.530 nan 8.190 nan 0.000 0.461 76 K N -1.327 118.984 120.400 -0.148 0.000 2.262 76 K HA 0.025 4.346 4.320 0.001 0.000 0.200 76 K C 1.622 177.966 176.600 -0.426 0.000 1.049 76 K CA 1.108 57.239 56.287 -0.261 0.000 0.979 76 K CB 0.139 32.542 32.500 -0.162 0.000 0.773 76 K HN 0.450 nan 8.250 nan 0.000 0.474 77 F N -0.635 119.139 119.950 -0.294 0.000 2.784 77 F HA 0.285 4.813 4.527 0.001 0.000 0.323 77 F C 1.237 176.976 175.800 -0.102 0.000 1.085 77 F CA -0.239 57.623 58.000 -0.230 0.000 1.196 77 F CB 0.782 39.552 39.000 -0.384 0.000 1.053 77 F HN -0.227 nan 8.300 nan 0.000 0.578 78 R N -0.982 119.579 120.500 0.102 0.000 2.543 78 R HA 0.044 4.385 4.340 0.001 0.000 0.323 78 R C 1.580 177.977 176.300 0.161 0.000 1.002 78 R CA -0.168 56.002 56.100 0.116 0.000 1.106 78 R CB -0.117 30.232 30.300 0.081 0.000 1.280 78 R HN 0.368 nan 8.270 nan 0.000 0.549 79 W N 1.819 123.085 121.300 -0.057 0.000 2.379 79 W HA -0.129 4.531 4.660 0.001 0.000 0.307 79 W C 0.748 177.236 176.519 -0.053 0.000 1.200 79 W CA 1.460 58.770 57.345 -0.059 0.000 1.297 79 W CB 0.029 29.448 29.460 -0.068 0.000 1.140 79 W HN 0.186 nan 8.180 nan 0.000 0.507 80 N N -0.651 118.134 118.700 0.143 0.000 2.364 80 N HA -0.109 4.631 4.740 0.001 0.000 0.183 80 N C 1.390 176.882 175.510 -0.029 0.000 1.022 80 N CA 0.883 53.948 53.050 0.026 0.000 0.883 80 N CB -0.517 38.000 38.487 0.051 0.000 0.965 80 N HN 0.016 nan 8.380 nan 0.000 0.438 81 G N 0.014 108.803 108.800 -0.019 0.000 3.678 81 G HA2 0.373 4.333 3.960 0.001 0.000 0.287 81 G HA3 0.373 4.333 3.960 0.001 0.000 0.287 81 G C -0.310 174.542 174.900 -0.080 0.000 1.280 81 G CA -0.230 44.848 45.100 -0.038 0.000 1.118 81 G HN 0.058 nan 8.290 nan 0.000 0.563 82 M N 0.957 120.467 119.600 -0.149 0.000 2.518 82 M HA 0.349 4.829 4.480 0.001 0.000 0.300 82 M C 0.322 176.474 176.300 -0.247 0.000 1.175 82 M CA -0.689 54.484 55.300 -0.212 0.000 0.890 82 M CB 2.730 35.134 32.600 -0.326 0.000 1.710 82 M HN 0.159 nan 8.290 nan 0.000 0.453 83 S N 1.937 117.513 115.700 -0.205 0.000 2.593 83 S HA 0.263 4.733 4.470 0.001 0.000 0.269 83 S C 1.043 175.490 174.600 -0.255 0.000 1.334 83 S CA -0.469 57.616 58.200 -0.192 0.000 1.015 83 S CB 1.193 64.309 63.200 -0.139 0.000 0.912 83 S HN 0.885 nan 8.310 nan 0.000 0.541 84 R N 0.755 121.124 120.500 -0.218 0.000 2.103 84 R HA -0.086 4.255 4.340 0.001 0.000 0.242 84 R C 1.956 178.144 176.300 -0.187 0.000 1.142 84 R CA 1.817 57.783 56.100 -0.222 0.000 0.960 84 R CB -1.083 29.125 30.300 -0.154 0.000 0.858 84 R HN 0.868 nan 8.270 nan 0.000 0.439 85 L N 0.333 121.473 121.223 -0.139 0.000 2.056 85 L HA -0.155 4.185 4.340 0.001 0.000 0.207 85 L C 2.425 179.250 176.870 -0.075 0.000 1.078 85 L CA 1.429 56.210 54.840 -0.097 0.000 0.749 85 L CB -0.346 41.662 42.059 -0.086 0.000 0.901 85 L HN 0.255 nan 8.230 nan 0.000 0.433 86 E N 0.187 120.322 120.200 -0.108 0.000 2.058 86 E HA -0.261 4.089 4.350 0.001 0.000 0.194 86 E C 2.160 178.712 176.600 -0.081 0.000 0.997 86 E CA 1.388 57.749 56.400 -0.065 0.000 0.801 86 E CB -0.016 29.615 29.700 -0.115 0.000 0.746 86 E HN 0.452 nan 8.360 nan 0.000 0.450 87 K N 0.424 120.652 120.400 -0.286 0.000 2.063 87 K HA -0.133 4.187 4.320 0.001 0.000 0.208 87 K C 2.145 178.671 176.600 -0.124 0.000 1.048 87 K CA 1.342 57.391 56.287 -0.396 0.000 0.928 87 K CB -0.180 31.824 32.500 -0.827 0.000 0.713 87 K HN -0.005 nan 8.250 nan 0.000 0.442 88 V N 0.745 120.596 119.914 -0.104 0.000 2.759 88 V HA -0.226 3.894 4.120 0.001 0.000 0.256 88 V C 1.953 178.049 176.094 0.004 0.000 1.080 88 V CA 1.382 63.643 62.300 -0.066 0.000 1.101 88 V CB -0.596 31.190 31.823 -0.062 0.000 0.698 88 V HN 0.289 nan 8.190 nan 0.000 0.477 89 Y N 0.614 120.867 120.300 -0.078 0.000 2.201 89 Y HA -0.101 4.449 4.550 0.001 0.000 0.292 89 Y C 2.176 178.064 175.900 -0.020 0.000 1.119 89 Y CA 1.500 59.571 58.100 -0.048 0.000 1.127 89 Y CB -0.445 37.985 38.460 -0.050 0.000 1.019 89 Y HN 0.183 nan 8.280 nan 0.000 0.514 90 L N 1.755 122.880 121.223 -0.162 0.000 1.997 90 L HA -0.269 4.071 4.340 0.001 0.000 0.216 90 L C 2.481 179.287 176.870 -0.107 0.000 1.074 90 L CA 2.669 57.418 54.840 -0.152 0.000 0.763 90 L CB -1.202 40.896 42.059 0.065 0.000 0.890 90 L HN 0.392 nan 8.230 nan 0.000 0.434 91 K N -0.810 119.572 120.400 -0.030 0.000 2.020 91 K HA -0.248 4.072 4.320 0.001 0.000 0.212 91 K C 1.934 178.480 176.600 -0.091 0.000 1.050 91 K CA 2.000 58.253 56.287 -0.057 0.000 0.929 91 K CB -0.252 32.163 32.500 -0.143 0.000 0.714 91 K HN 0.469 nan 8.250 nan 0.000 0.443 92 N N 0.489 119.119 118.700 -0.117 0.000 2.166 92 N HA -0.094 4.646 4.740 0.001 0.000 0.186 92 N C 1.844 177.286 175.510 -0.115 0.000 1.019 92 N CA 1.392 54.386 53.050 -0.093 0.000 0.856 92 N CB -0.319 38.133 38.487 -0.059 0.000 0.993 92 N HN 0.186 nan 8.380 nan 0.000 0.426 93 S N 0.489 116.055 115.700 -0.223 0.000 2.368 93 S HA -0.061 4.410 4.470 0.001 0.000 0.225 93 S C 2.259 176.786 174.600 -0.123 0.000 1.030 93 S CA 0.891 58.958 58.200 -0.221 0.000 0.999 93 S CB -0.306 62.657 63.200 -0.396 0.000 0.844 93 S HN 0.104 nan 8.310 nan 0.000 0.459 94 V N 2.334 122.188 119.914 -0.100 0.000 2.427 94 V HA -0.128 3.992 4.120 0.001 0.000 0.248 94 V C 2.332 178.411 176.094 -0.025 0.000 1.051 94 V CA 1.278 63.546 62.300 -0.054 0.000 1.048 94 V CB -0.665 31.137 31.823 -0.034 0.000 0.666 94 V HN 0.465 nan 8.190 nan 0.000 0.456 95 M N -0.701 118.895 119.600 -0.008 0.000 2.175 95 M HA -0.104 4.376 4.480 0.001 0.000 0.264 95 M C 2.217 178.518 176.300 0.001 0.000 1.063 95 M CA 1.406 56.719 55.300 0.021 0.000 1.119 95 M CB -1.003 31.630 32.600 0.054 0.000 1.377 95 M HN 0.329 nan 8.290 nan 0.000 0.415 96 E N 0.767 120.956 120.200 -0.019 0.000 2.110 96 E HA -0.068 4.282 4.350 0.001 0.000 0.193 96 E C 2.240 178.827 176.600 -0.020 0.000 0.988 96 E CA 0.872 57.261 56.400 -0.018 0.000 0.804 96 E CB -0.364 29.318 29.700 -0.030 0.000 0.745 96 E HN 0.513 nan 8.360 nan 0.000 0.458 97 L N 0.440 121.645 121.223 -0.030 0.000 2.079 97 L HA -0.174 4.167 4.340 0.001 0.000 0.210 97 L C 2.390 179.243 176.870 -0.029 0.000 1.081 97 L CA 0.881 55.702 54.840 -0.032 0.000 0.752 97 L CB -0.275 41.759 42.059 -0.042 0.000 0.896 97 L HN 0.137 nan 8.230 nan 0.000 0.433 98 I N -0.804 119.752 120.570 -0.023 0.000 2.439 98 I HA -0.201 3.970 4.170 0.001 0.000 0.251 98 I C 2.703 178.812 176.117 -0.013 0.000 1.139 98 I CA 0.818 62.105 61.300 -0.022 0.000 1.438 98 I CB -0.426 37.567 38.000 -0.011 0.000 1.085 98 I HN 0.176 nan 8.210 nan 0.000 0.427 99 A N 1.937 124.753 122.820 -0.007 0.000 1.898 99 A HA -0.176 4.145 4.320 0.001 0.000 0.216 99 A C 1.328 178.910 177.584 -0.003 0.000 1.181 99 A CA 2.280 54.317 52.037 -0.000 0.000 0.620 99 A CB -0.294 18.708 19.000 0.004 0.000 0.819 99 A HN 0.667 nan 8.150 nan 0.000 0.442 100 N N -3.585 115.111 118.700 -0.008 0.000 2.058 100 N HA 0.084 4.825 4.740 0.001 0.000 0.221 100 N C 0.441 175.945 175.510 -0.011 0.000 1.418 100 N CA 0.493 53.539 53.050 -0.008 0.000 0.826 100 N CB -0.918 37.567 38.487 -0.002 0.000 1.175 100 N HN 0.193 nan 8.380 nan 0.000 0.563 101 G N 0.222 109.012 108.800 -0.017 0.000 3.448 101 G HA2 0.322 4.283 3.960 0.001 0.000 0.261 101 G HA3 0.322 4.283 3.960 0.001 0.000 0.261 101 G C -0.016 174.868 174.900 -0.026 0.000 1.173 101 G CA 0.623 45.712 45.100 -0.019 0.000 0.835 101 G HN 0.471 nan 8.290 nan 0.000 0.534 102 T N -2.176 112.360 114.554 -0.031 0.000 2.896 102 T HA 0.648 4.999 4.350 0.001 0.000 0.297 102 T C -0.015 174.663 174.700 -0.036 0.000 1.108 102 T CA -0.890 61.185 62.100 -0.042 0.000 1.004 102 T CB 1.902 70.731 68.868 -0.065 0.000 1.159 102 T HN -0.072 nan 8.240 nan 0.000 0.499 103 L N 1.694 122.893 121.223 -0.041 0.000 2.476 103 L HA 0.287 4.627 4.340 0.001 0.000 0.264 103 L C 0.469 177.320 176.870 -0.032 0.000 1.224 103 L CA -0.798 54.023 54.840 -0.032 0.000 0.821 103 L CB 0.190 42.229 42.059 -0.034 0.000 1.101 103 L HN 0.696 nan 8.230 nan 0.000 0.488 104 N N 3.420 122.108 118.700 -0.020 0.000 2.602 104 N HA 0.326 5.067 4.740 0.001 0.000 0.238 104 N C 0.612 176.114 175.510 -0.013 0.000 1.084 104 N CA -0.072 52.969 53.050 -0.015 0.000 0.952 104 N CB 1.151 39.634 38.487 -0.006 0.000 1.244 104 N HN 0.687 nan 8.380 nan 0.000 0.512 105 I N -1.579 118.979 120.570 -0.019 0.000 4.859 105 I HA -0.517 3.654 4.170 0.001 0.000 0.039 105 I C 1.215 177.328 176.117 -0.007 0.000 0.634 105 I CA 1.310 62.605 61.300 -0.009 0.000 0.411 105 I CB -1.090 36.912 38.000 0.004 0.000 0.442 105 I HN 0.258 nan 8.210 nan 0.000 0.151 106 L N 0.571 121.794 121.223 -0.001 0.000 2.209 106 L HA 0.113 4.454 4.340 0.001 0.000 0.207 106 L C 0.789 177.658 176.870 -0.002 0.000 1.094 106 L CA 0.957 55.799 54.840 0.004 0.000 0.790 106 L CB -0.403 41.663 42.059 0.010 0.000 0.932 106 L HN 0.400 nan 8.230 nan 0.000 0.447 107 E N 0.361 120.557 120.200 -0.008 0.000 2.313 107 E HA 0.386 4.736 4.350 0.001 0.000 0.272 107 E C -0.541 176.041 176.600 -0.031 0.000 1.038 107 E CA -0.268 56.123 56.400 -0.014 0.000 0.863 107 E CB 0.997 30.691 29.700 -0.011 0.000 1.060 107 E HN 0.004 nan 8.360 nan 0.000 0.402 108 E N 1.661 121.834 120.200 -0.045 0.000 7.510 108 E HA -0.082 4.268 4.350 0.001 0.000 0.207 108 E C -1.425 175.109 176.600 -0.110 0.000 0.880 108 E CA -0.085 56.265 56.400 -0.084 0.000 1.680 108 E CB -0.384 29.262 29.700 -0.091 0.000 0.894 108 E HN 0.421 nan 8.360 nan 0.000 0.263 109 E N 3.319 123.416 120.200 -0.172 0.000 2.413 109 E HA 0.023 4.374 4.350 0.001 0.000 0.263 109 E C 0.787 177.260 176.600 -0.211 0.000 1.015 109 E CA -0.017 56.260 56.400 -0.204 0.000 0.916 109 E CB 0.508 29.961 29.700 -0.412 0.000 0.947 109 E HN 0.516 nan 8.360 nan 0.000 0.440 110 N N 1.851 120.514 118.700 -0.060 0.000 2.132 110 N HA -0.227 4.513 4.740 0.001 0.000 0.191 110 N C 1.756 177.278 175.510 0.021 0.000 1.015 110 N CA 1.541 54.605 53.050 0.023 0.000 0.864 110 N CB -0.160 38.411 38.487 0.141 0.000 1.006 110 N HN 0.581 nan 8.380 nan 0.000 0.430 111 H N -1.167 117.940 119.070 0.061 0.000 2.491 111 H HA -0.014 4.542 4.556 0.001 0.000 0.290 111 H C 1.561 176.985 175.328 0.159 0.000 1.050 111 H CA 0.686 56.796 56.048 0.104 0.000 1.309 111 H CB -0.056 29.728 29.762 0.037 0.000 1.392 111 H HN 0.224 nan 8.280 nan 0.000 0.554 112 I N 1.730 122.131 120.570 -0.282 0.000 2.400 112 I HA -0.132 4.039 4.170 0.001 0.000 0.248 112 I C 2.233 178.262 176.117 -0.148 0.000 1.109 112 I CA 0.648 61.867 61.300 -0.135 0.000 1.425 112 I CB -0.430 37.435 38.000 -0.224 0.000 1.094 112 I HN 0.192 nan 8.210 nan 0.000 0.425 113 K N 0.586 120.818 120.400 -0.280 0.000 2.103 113 K HA -0.249 4.071 4.320 0.001 0.000 0.207 113 K C 1.708 178.042 176.600 -0.444 0.000 1.048 113 K CA 1.959 57.944 56.287 -0.505 0.000 0.930 113 K CB -0.229 31.707 32.500 -0.939 0.000 0.716 113 K HN 0.262 nan 8.250 nan 0.000 0.444 114 D N 0.682 120.971 120.400 -0.184 0.000 2.092 114 D HA -0.166 4.474 4.640 0.001 0.000 0.193 114 D C 1.847 178.172 176.300 0.041 0.000 0.994 114 D CA 1.673 55.725 54.000 0.086 0.000 0.828 114 D CB -0.016 40.923 40.800 0.231 0.000 0.963 114 D HN 0.180 nan 8.370 nan 0.000 0.450 115 A N 0.509 123.340 122.820 0.018 0.000 1.902 115 A HA -0.097 4.223 4.320 0.001 0.000 0.217 115 A C 2.303 179.833 177.584 -0.091 0.000 1.181 115 A CA 1.096 53.075 52.037 -0.097 0.000 0.623 115 A CB -0.880 17.935 19.000 -0.309 0.000 0.818 115 A HN 0.444 nan 8.150 nan 0.000 0.443 116 L N -0.275 120.893 121.223 -0.093 0.000 2.027 116 L HA -0.121 4.219 4.340 0.001 0.000 0.206 116 L C 2.630 179.464 176.870 -0.060 0.000 1.074 116 L CA 2.444 57.233 54.840 -0.085 0.000 0.745 116 L CB -0.917 41.080 42.059 -0.103 0.000 0.898 116 L HN 0.485 nan 8.230 nan 0.000 0.433 117 S N -0.117 115.550 115.700 -0.056 0.000 2.359 117 S HA -0.280 4.191 4.470 0.001 0.000 0.223 117 S C 2.044 176.649 174.600 0.009 0.000 1.039 117 S CA 1.752 59.953 58.200 0.002 0.000 1.042 117 S CB -0.161 63.086 63.200 0.077 0.000 0.915 117 S HN 0.442 nan 8.310 nan 0.000 0.439 118 R N 0.366 120.872 120.500 0.009 0.000 2.119 118 R HA -0.097 4.243 4.340 0.001 0.000 0.246 118 R C 2.264 178.543 176.300 -0.034 0.000 1.146 118 R CA 2.125 58.221 56.100 -0.006 0.000 0.962 118 R CB -0.626 29.671 30.300 -0.005 0.000 0.863 118 R HN 0.545 nan 8.270 nan 0.000 0.442 119 I N -0.279 120.265 120.570 -0.044 0.000 2.163 119 I HA -0.291 3.880 4.170 0.001 0.000 0.243 119 I C 2.189 178.273 176.117 -0.055 0.000 1.085 119 I CA 1.210 62.476 61.300 -0.056 0.000 1.347 119 I CB -0.523 37.447 38.000 -0.051 0.000 1.044 119 I HN -0.025 nan 8.210 nan 0.000 0.408 120 V N 0.607 120.503 119.914 -0.030 0.000 2.255 120 V HA -0.257 3.863 4.120 0.001 0.000 0.247 120 V C 2.541 178.613 176.094 -0.037 0.000 1.051 120 V CA 1.855 64.150 62.300 -0.007 0.000 1.018 120 V CB -0.599 31.223 31.823 -0.002 0.000 0.641 120 V HN 0.256 nan 8.190 nan 0.000 0.445 121 V N -0.277 119.607 119.914 -0.050 0.000 2.282 121 V HA -0.328 3.792 4.120 0.001 0.000 0.249 121 V C 2.579 178.624 176.094 -0.082 0.000 1.057 121 V CA 2.403 64.663 62.300 -0.067 0.000 1.032 121 V CB -0.686 31.111 31.823 -0.043 0.000 0.645 121 V HN 0.553 nan 8.190 nan 0.000 0.447 122 E N -0.248 119.891 120.200 -0.102 0.000 2.085 122 E HA -0.222 4.128 4.350 0.001 0.000 0.194 122 E C 2.148 178.600 176.600 -0.246 0.000 0.994 122 E CA 1.731 58.034 56.400 -0.161 0.000 0.801 122 E CB -0.317 29.283 29.700 -0.166 0.000 0.743 122 E HN 0.580 nan 8.360 nan 0.000 0.453 123 M N -0.704 118.756 119.600 -0.232 0.000 2.229 123 M HA -0.083 4.397 4.480 0.001 0.000 0.264 123 M C 2.049 178.360 176.300 0.018 0.000 1.063 123 M CA 1.008 56.154 55.300 -0.258 0.000 1.114 123 M CB -0.199 32.327 32.600 -0.124 0.000 1.387 123 M HN 0.120 nan 8.290 nan 0.000 0.420 124 I N 0.313 120.903 120.570 0.033 0.000 2.252 124 I HA -0.271 3.900 4.170 0.001 0.000 0.245 124 I C 2.265 178.443 176.117 0.102 0.000 1.102 124 I CA 1.344 62.663 61.300 0.033 0.000 1.385 124 I CB -0.367 37.489 38.000 -0.240 0.000 1.064 124 I HN 0.237 nan 8.210 nan 0.000 0.414 125 K N 0.150 120.559 120.400 0.015 0.000 2.283 125 K HA -0.095 4.225 4.320 0.001 0.000 0.202 125 K C 2.193 178.791 176.600 -0.003 0.000 1.048 125 K CA 0.626 56.925 56.287 0.020 0.000 0.948 125 K CB -0.064 32.413 32.500 -0.038 0.000 0.742 125 K HN 0.153 nan 8.250 nan 0.000 0.458 126 R N 1.477 121.924 120.500 -0.089 0.000 2.115 126 R HA -0.071 4.269 4.340 0.001 0.000 0.226 126 R C 0.367 176.723 176.300 0.093 0.000 1.100 126 R CA 1.154 57.175 56.100 -0.132 0.000 0.980 126 R CB 0.069 30.031 30.300 -0.562 0.000 0.875 126 R HN 0.477 nan 8.270 nan 0.000 0.445 127 E N -2.407 117.922 120.200 0.215 0.000 3.423 127 E HA -0.013 4.337 4.350 0.001 0.000 0.289 127 E C 0.003 176.907 176.600 0.506 0.000 1.111 127 E CA -0.259 56.360 56.400 0.365 0.000 1.182 127 E CB -1.009 28.948 29.700 0.428 0.000 1.283 127 E HN 0.037 nan 8.360 nan 0.000 0.392 128 W N 3.461 124.868 121.300 0.178 0.000 2.539 128 W HA 0.203 4.864 4.660 0.001 0.000 0.299 128 W C -1.162 175.418 176.519 0.100 0.000 1.165 128 W CA 1.835 59.251 57.345 0.117 0.000 1.400 128 W CB -1.059 28.395 29.460 -0.010 0.000 1.123 128 W HN 0.202 nan 8.180 nan 0.000 0.533 129 P HA -0.211 nan 4.420 nan 0.000 0.214 129 P C 1.406 178.624 177.300 -0.137 0.000 1.162 129 P CA 2.570 65.375 63.100 -0.492 0.000 0.874 129 P CB -0.288 31.154 31.700 -0.430 0.000 0.784 130 Q N -0.675 119.102 119.800 -0.039 0.000 2.391 130 Q HA -0.064 4.277 4.340 0.001 0.000 0.211 130 Q C 1.187 177.153 176.000 -0.058 0.000 0.908 130 Q CA 1.258 57.008 55.803 -0.087 0.000 0.920 130 Q CB -0.856 27.774 28.738 -0.179 0.000 1.056 130 Q HN 0.422 nan 8.270 nan 0.000 0.523 131 H N -1.745 117.429 119.070 0.174 0.000 2.652 131 H HA 0.268 4.824 4.556 0.001 0.000 0.274 131 H C -0.429 175.073 175.328 0.289 0.000 1.021 131 H CA -0.099 56.061 56.048 0.186 0.000 1.187 131 H CB 0.523 30.391 29.762 0.177 0.000 1.505 131 H HN 0.298 nan 8.280 nan 0.000 0.530 132 W N 1.965 123.417 121.300 0.253 0.000 1.055 132 W HA 0.174 4.834 4.660 0.001 0.000 0.287 132 W C -2.222 174.468 176.519 0.285 0.000 0.855 132 W CA -1.837 55.665 57.345 0.262 0.000 2.144 132 W CB 1.157 30.800 29.460 0.305 0.000 1.405 132 W HN 0.005 nan 8.180 nan 0.000 0.490 133 P HA -0.226 nan 4.420 nan 0.000 0.216 133 P C 0.953 178.417 177.300 0.274 0.000 1.150 133 P CA 1.815 65.080 63.100 0.274 0.000 0.837 133 P CB 0.042 31.844 31.700 0.170 0.000 0.786 134 D N -1.713 118.890 120.400 0.337 0.000 2.352 134 D HA -0.018 4.623 4.640 0.001 0.000 0.236 134 D C 1.608 177.915 176.300 0.012 0.000 1.148 134 D CA -0.155 53.977 54.000 0.219 0.000 0.844 134 D CB -0.701 40.244 40.800 0.242 0.000 0.933 134 D HN 0.039 nan 8.370 nan 0.000 0.507 135 M N 0.749 120.134 119.600 -0.358 0.000 2.084 135 M HA -0.149 4.331 4.480 0.001 0.000 0.259 135 M C 1.921 177.867 176.300 -0.589 0.000 1.072 135 M CA 1.265 55.880 55.300 -1.142 0.000 1.107 135 M CB -0.541 31.166 32.600 -1.487 0.000 1.299 135 M HN 0.122 nan 8.290 nan 0.000 0.413 136 L N -0.084 120.925 121.223 -0.356 0.000 2.103 136 L HA -0.310 4.031 4.340 0.001 0.000 0.215 136 L C 2.372 179.122 176.870 -0.201 0.000 1.080 136 L CA 1.469 56.163 54.840 -0.244 0.000 0.764 136 L CB -0.778 41.250 42.059 -0.051 0.000 0.890 136 L HN 0.389 nan 8.230 nan 0.000 0.435 137 I N -1.000 119.500 120.570 -0.117 0.000 2.333 137 I HA -0.200 3.971 4.170 0.001 0.000 0.246 137 I C 2.518 178.591 176.117 -0.074 0.000 1.106 137 I CA 0.671 61.927 61.300 -0.074 0.000 1.411 137 I CB -0.111 37.887 38.000 -0.003 0.000 1.082 137 I HN 0.144 nan 8.210 nan 0.000 0.420 138 E N 1.365 121.536 120.200 -0.050 0.000 2.065 138 E HA -0.241 4.110 4.350 0.001 0.000 0.201 138 E C 2.185 178.745 176.600 -0.066 0.000 1.016 138 E CA 1.664 58.068 56.400 0.006 0.000 0.818 138 E CB -0.235 29.515 29.700 0.083 0.000 0.749 138 E HN 0.364 nan 8.360 nan 0.000 0.453 139 L N 0.191 121.308 121.223 -0.177 0.000 2.141 139 L HA -0.164 4.177 4.340 0.001 0.000 0.209 139 L C 2.198 178.933 176.870 -0.225 0.000 1.094 139 L CA 1.461 56.177 54.840 -0.206 0.000 0.763 139 L CB -0.451 41.421 42.059 -0.313 0.000 0.908 139 L HN 0.249 nan 8.230 nan 0.000 0.437 140 D N -0.379 119.865 120.400 -0.260 0.000 2.117 140 D HA -0.149 4.491 4.640 0.001 0.000 0.198 140 D C 1.980 178.228 176.300 -0.087 0.000 0.982 140 D CA 1.561 55.415 54.000 -0.244 0.000 0.828 140 D CB 0.193 40.861 40.800 -0.219 0.000 0.967 140 D HN 0.107 nan 8.370 nan 0.000 0.464 141 T N 0.411 114.931 114.554 -0.057 0.000 2.652 141 T HA -0.146 4.204 4.350 0.001 0.000 0.267 141 T C 2.131 176.830 174.700 -0.001 0.000 1.039 141 T CA 1.193 63.286 62.100 -0.012 0.000 1.153 141 T CB -0.532 68.338 68.868 0.004 0.000 0.863 141 T HN 0.138 nan 8.240 nan 0.000 0.428 142 L N 0.981 122.199 121.223 -0.008 0.000 2.079 142 L HA -0.128 4.213 4.340 0.001 0.000 0.210 142 L C 2.850 179.732 176.870 0.020 0.000 1.081 142 L CA 1.246 56.090 54.840 0.006 0.000 0.752 142 L CB -0.530 41.529 42.059 0.000 0.000 0.896 142 L HN 0.275 nan 8.230 nan 0.000 0.433 143 S N -0.528 115.187 115.700 0.025 0.000 2.453 143 S HA -0.132 4.338 4.470 0.001 0.000 0.231 143 S C 1.897 176.550 174.600 0.088 0.000 1.005 143 S CA 0.964 59.217 58.200 0.087 0.000 0.949 143 S CB -0.042 63.267 63.200 0.182 0.000 0.774 143 S HN 0.339 nan 8.310 nan 0.000 0.510 144 K N 0.410 120.848 120.400 0.064 0.000 2.365 144 K HA 0.037 4.357 4.320 0.001 0.000 0.199 144 K C 1.964 178.588 176.600 0.039 0.000 1.045 144 K CA 0.762 57.082 56.287 0.055 0.000 0.962 144 K CB -0.064 32.462 32.500 0.044 0.000 0.759 144 K HN 0.490 nan 8.250 nan 0.000 0.469 145 Q N -0.075 119.745 119.800 0.033 0.000 2.541 145 Q HA 0.014 4.355 4.340 0.001 0.000 0.215 145 Q C 0.369 176.383 176.000 0.024 0.000 0.977 145 Q CA 0.350 56.168 55.803 0.025 0.000 0.934 145 Q CB 0.435 29.185 28.738 0.020 0.000 0.988 145 Q HN 0.353 nan 8.270 nan 0.000 0.521 146 G N -0.126 108.692 108.800 0.030 0.000 2.339 146 G HA2 -0.118 3.842 3.960 0.001 0.000 0.381 146 G HA3 -0.118 3.842 3.960 0.001 0.000 0.381 146 G C -0.173 174.744 174.900 0.028 0.000 1.400 146 G CA -0.464 44.651 45.100 0.025 0.000 1.002 146 G HN 0.069 nan 8.290 nan 0.000 0.633 147 E N -0.412 119.801 120.200 0.023 0.000 2.150 147 E HA -0.115 4.235 4.350 0.001 0.000 0.193 147 E C 2.085 178.700 176.600 0.024 0.000 0.985 147 E CA 1.867 58.281 56.400 0.024 0.000 0.814 147 E CB -0.647 29.064 29.700 0.019 0.000 0.752 147 E HN 0.450 nan 8.360 nan 0.000 0.466 148 T N 1.377 115.939 114.554 0.014 0.000 2.881 148 T HA -0.139 4.211 4.350 0.001 0.000 0.270 148 T C 1.662 176.364 174.700 0.003 0.000 1.068 148 T CA 1.604 63.705 62.100 0.002 0.000 1.131 148 T CB -0.057 68.805 68.868 -0.010 0.000 0.871 148 T HN 0.110 nan 8.240 nan 0.000 0.479 149 Q N 0.224 120.035 119.800 0.018 0.000 2.250 149 Q HA 0.108 4.449 4.340 0.001 0.000 0.200 149 Q C 2.604 178.636 176.000 0.054 0.000 0.941 149 Q CA 1.004 56.821 55.803 0.024 0.000 0.872 149 Q CB -0.337 28.417 28.738 0.026 0.000 0.965 149 Q HN 0.406 nan 8.270 nan 0.000 0.480 150 T N 0.432 115.028 114.554 0.070 0.000 2.770 150 T HA -0.132 4.218 4.350 0.001 0.000 0.263 150 T C 1.552 176.324 174.700 0.120 0.000 1.039 150 T CA 1.209 63.376 62.100 0.112 0.000 1.142 150 T CB -0.137 68.782 68.868 0.085 0.000 0.868 150 T HN 0.368 nan 8.240 nan 0.000 0.435 151 E N 0.973 121.233 120.200 0.100 0.000 2.070 151 E HA -0.160 4.190 4.350 0.001 0.000 0.197 151 E C 2.143 178.890 176.600 0.246 0.000 1.004 151 E CA 1.073 57.572 56.400 0.165 0.000 0.805 151 E CB -0.282 29.505 29.700 0.146 0.000 0.744 151 E HN 0.419 nan 8.360 nan 0.000 0.451 152 L N 0.311 121.599 121.223 0.108 0.000 2.079 152 L HA -0.209 4.132 4.340 0.001 0.000 0.210 152 L C 2.567 179.516 176.870 0.131 0.000 1.081 152 L CA 0.847 55.719 54.840 0.053 0.000 0.752 152 L CB -0.299 41.735 42.059 -0.042 0.000 0.896 152 L HN 0.140 nan 8.230 nan 0.000 0.433 153 V N -0.635 119.353 119.914 0.124 0.000 2.427 153 V HA -0.280 3.840 4.120 0.001 0.000 0.248 153 V C 2.512 178.704 176.094 0.164 0.000 1.051 153 V CA 1.395 63.761 62.300 0.110 0.000 1.048 153 V CB -0.350 31.543 31.823 0.116 0.000 0.666 153 V HN 0.384 nan 8.190 nan 0.000 0.456 154 M N -1.502 118.221 119.600 0.205 0.000 2.229 154 M HA -0.095 4.385 4.480 0.001 0.000 0.264 154 M C 2.132 178.523 176.300 0.152 0.000 1.063 154 M CA 1.703 57.100 55.300 0.162 0.000 1.114 154 M CB -1.165 31.492 32.600 0.095 0.000 1.387 154 M HN 0.318 nan 8.290 nan 0.000 0.420 155 F N 0.535 120.506 119.950 0.034 0.000 2.259 155 F HA -0.071 4.456 4.527 0.001 0.000 0.298 155 F C 2.253 178.066 175.800 0.022 0.000 1.088 155 F CA 1.045 59.061 58.000 0.026 0.000 1.358 155 F CB -0.332 38.677 39.000 0.015 0.000 1.040 155 F HN 0.013 nan 8.300 nan 0.000 0.505 156 I N -0.766 119.927 120.570 0.205 0.000 2.235 156 I HA -0.258 3.912 4.170 0.001 0.000 0.241 156 I C 2.123 178.277 176.117 0.062 0.000 1.085 156 I CA 0.988 62.344 61.300 0.093 0.000 1.378 156 I CB -0.469 37.544 38.000 0.022 0.000 1.076 156 I HN 0.009 nan 8.210 nan 0.000 0.415 157 L N 0.165 121.438 121.223 0.084 0.000 2.131 157 L HA -0.218 4.122 4.340 0.001 0.000 0.210 157 L C 2.501 179.491 176.870 0.200 0.000 1.092 157 L CA 0.948 55.873 54.840 0.142 0.000 0.759 157 L CB -0.476 41.698 42.059 0.191 0.000 0.903 157 L HN 0.322 nan 8.230 nan 0.000 0.435 158 L N -0.119 121.185 121.223 0.135 0.000 2.072 158 L HA -0.132 4.208 4.340 0.001 0.000 0.205 158 L C 2.664 179.549 176.870 0.024 0.000 1.079 158 L CA 1.486 56.366 54.840 0.066 0.000 0.752 158 L CB -0.432 41.632 42.059 0.007 0.000 0.906 158 L HN 0.042 nan 8.230 nan 0.000 0.436 159 R N -0.747 119.776 120.500 0.038 0.000 2.120 159 R HA -0.173 4.167 4.340 0.001 0.000 0.234 159 R C 2.177 178.488 176.300 0.019 0.000 1.123 159 R CA 1.826 57.946 56.100 0.033 0.000 0.975 159 R CB -0.384 29.943 30.300 0.045 0.000 0.866 159 R HN 0.510 nan 8.270 nan 0.000 0.446 160 L N -0.254 120.980 121.223 0.018 0.000 2.068 160 L HA 0.155 4.495 4.340 0.001 0.000 0.204 160 L C 2.172 179.039 176.870 -0.004 0.000 1.076 160 L CA 1.934 56.776 54.840 0.003 0.000 0.753 160 L CB -0.655 41.393 42.059 -0.018 0.000 0.910 160 L HN 0.139 nan 8.230 nan 0.000 0.439 161 A N -0.234 122.575 122.820 -0.019 0.000 1.892 161 A HA -0.274 4.047 4.320 0.001 0.000 0.218 161 A C 2.123 179.579 177.584 -0.212 0.000 1.188 161 A CA 2.128 54.072 52.037 -0.154 0.000 0.631 161 A CB -0.801 17.854 19.000 -0.574 0.000 0.822 161 A HN 0.652 nan 8.150 nan 0.000 0.447 162 E N -0.272 119.877 120.200 -0.084 0.000 2.058 162 E HA -0.200 4.150 4.350 0.001 0.000 0.194 162 E C 1.468 178.167 176.600 0.165 0.000 0.997 162 E CA 1.316 57.749 56.400 0.055 0.000 0.801 162 E CB -0.235 29.651 29.700 0.310 0.000 0.746 162 E HN 0.523 nan 8.360 nan 0.000 0.450 163 D N -0.146 120.325 120.400 0.118 0.000 2.269 163 D HA -0.082 4.559 4.640 0.001 0.000 0.208 163 D C 1.592 177.900 176.300 0.013 0.000 0.963 163 D CA 0.505 54.566 54.000 0.102 0.000 0.864 163 D CB 0.319 41.130 40.800 0.019 0.000 0.936 163 D HN 0.017 nan 8.370 nan 0.000 0.505 164 V N -0.552 119.318 119.914 -0.073 0.000 3.661 164 V HA 0.061 4.181 4.120 0.001 0.000 0.271 164 V C 1.299 177.252 176.094 -0.235 0.000 1.315 164 V CA 0.350 62.583 62.300 -0.110 0.000 1.072 164 V CB 0.774 32.559 31.823 -0.064 0.000 0.830 164 V HN -0.052 nan 8.190 nan 0.000 0.443 165 V N -1.441 118.256 119.914 -0.362 0.000 3.177 165 V HA 0.038 4.158 4.120 0.001 0.000 0.219 165 V C 2.161 177.968 176.094 -0.478 0.000 1.344 165 V CA 1.508 63.464 62.300 -0.572 0.000 1.324 165 V CB 0.631 31.635 31.823 -1.365 0.000 1.165 165 V HN 0.425 nan 8.190 nan 0.000 0.510 166 T N 0.249 114.512 114.554 -0.484 0.000 2.852 166 T HA 0.064 4.414 4.350 0.001 0.000 0.256 166 T C 1.497 175.862 174.700 -0.558 0.000 1.038 166 T CA 1.493 63.265 62.100 -0.547 0.000 1.141 166 T CB -0.199 68.252 68.868 -0.696 0.000 0.869 166 T HN 0.311 nan 8.240 nan 0.000 0.439 167 F N 1.866 121.731 119.950 -0.142 0.000 2.698 167 F HA 0.188 4.715 4.527 0.001 0.000 0.295 167 F C 1.010 176.752 175.800 -0.097 0.000 1.124 167 F CA -0.475 57.467 58.000 -0.098 0.000 1.426 167 F CB -0.421 38.533 39.000 -0.077 0.000 1.120 167 F HN 0.143 nan 8.300 nan 0.000 0.583 168 Q N 1.909 121.705 119.800 -0.006 0.000 2.368 168 Q HA -0.240 4.100 4.340 0.001 0.000 0.277 168 Q C -0.834 175.173 176.000 0.011 0.000 1.217 168 Q CA 0.947 56.731 55.803 -0.032 0.000 0.927 168 Q CB -1.860 26.826 28.738 -0.086 0.000 1.032 168 Q HN 0.403 nan 8.270 nan 0.000 0.299 169 T N 2.234 116.802 114.554 0.024 0.000 3.378 169 T HA 0.699 5.049 4.350 0.001 0.000 0.359 169 T C -0.088 174.599 174.700 -0.022 0.000 1.815 169 T CA -0.608 61.498 62.100 0.009 0.000 1.509 169 T CB 0.185 69.061 68.868 0.014 0.000 1.049 169 T HN 0.467 nan 8.240 nan 0.000 0.705 170 L N 0.801 122.009 121.223 -0.026 0.000 2.775 170 L HA 0.551 4.891 4.340 0.001 0.000 0.263 170 L C -2.503 174.349 176.870 -0.031 0.000 1.017 170 L CA -2.323 52.495 54.840 -0.037 0.000 0.891 170 L CB 2.163 44.203 42.059 -0.032 0.000 1.482 170 L HN 0.088 nan 8.230 nan 0.000 0.410 171 P HA 0.137 nan 4.420 nan 0.000 0.268 171 P C -2.348 174.940 177.300 -0.020 0.000 1.204 171 P CA -1.088 61.998 63.100 -0.024 0.000 0.768 171 P CB 0.263 31.950 31.700 -0.021 0.000 0.842 172 P HA -0.262 nan 4.420 nan 0.000 0.222 172 P C 1.593 178.882 177.300 -0.017 0.000 1.157 172 P CA 1.979 65.067 63.100 -0.021 0.000 0.905 172 P CB -0.045 31.643 31.700 -0.020 0.000 0.792 173 Q N -1.582 118.211 119.800 -0.013 0.000 2.016 173 Q HA -0.172 4.168 4.340 0.001 0.000 0.200 173 Q C 2.418 178.415 176.000 -0.004 0.000 0.978 173 Q CA 1.418 57.215 55.803 -0.008 0.000 0.833 173 Q CB -0.388 28.347 28.738 -0.005 0.000 0.895 173 Q HN 0.064 nan 8.270 nan 0.000 0.427 174 R N 0.898 121.397 120.500 -0.001 0.000 2.115 174 R HA -0.076 4.265 4.340 0.001 0.000 0.230 174 R C 2.111 178.416 176.300 0.008 0.000 1.111 174 R CA 1.262 57.367 56.100 0.008 0.000 0.976 174 R CB -0.077 30.228 30.300 0.009 0.000 0.870 174 R HN 0.080 nan 8.270 nan 0.000 0.445 175 R N 0.086 120.583 120.500 -0.005 0.000 2.073 175 R HA -0.097 4.243 4.340 0.001 0.000 0.234 175 R C 2.192 178.487 176.300 -0.008 0.000 1.134 175 R CA 1.816 57.910 56.100 -0.011 0.000 0.952 175 R CB -0.152 30.131 30.300 -0.028 0.000 0.850 175 R HN 0.197 nan 8.270 nan 0.000 0.433 176 R N 0.183 120.676 120.500 -0.012 0.000 2.091 176 R HA -0.128 4.212 4.340 0.001 0.000 0.238 176 R C 1.771 178.069 176.300 -0.003 0.000 1.136 176 R CA 1.841 57.935 56.100 -0.011 0.000 0.959 176 R CB -0.211 30.081 30.300 -0.013 0.000 0.856 176 R HN 0.397 nan 8.270 nan 0.000 0.437 177 D N 0.113 120.509 120.400 -0.006 0.000 2.219 177 D HA -0.103 4.538 4.640 0.001 0.000 0.205 177 D C 1.806 178.091 176.300 -0.025 0.000 0.970 177 D CA 1.025 55.011 54.000 -0.023 0.000 0.851 177 D CB 0.066 40.850 40.800 -0.026 0.000 0.943 177 D HN 0.322 nan 8.370 nan 0.000 0.488 178 I N 0.415 121.002 120.570 0.029 0.000 2.585 178 I HA -0.156 4.015 4.170 0.001 0.000 0.254 178 I C 2.579 178.777 176.117 0.134 0.000 1.129 178 I CA 0.419 61.781 61.300 0.103 0.000 1.455 178 I CB -0.089 38.027 38.000 0.193 0.000 1.111 178 I HN -0.142 nan 8.210 nan 0.000 0.433 179 Q N 0.986 120.840 119.800 0.089 0.000 2.124 179 Q HA -0.260 4.080 4.340 0.001 0.000 0.202 179 Q C 2.201 178.282 176.000 0.135 0.000 0.977 179 Q CA 1.700 57.576 55.803 0.121 0.000 0.850 179 Q CB 0.072 28.834 28.738 0.040 0.000 0.901 179 Q HN 0.503 nan 8.270 nan 0.000 0.429 180 Q N -1.043 118.789 119.800 0.054 0.000 2.119 180 Q HA -0.105 4.235 4.340 0.001 0.000 0.201 180 Q C 1.968 177.963 176.000 -0.009 0.000 0.972 180 Q CA 1.782 57.600 55.803 0.025 0.000 0.847 180 Q CB 0.225 28.955 28.738 -0.013 0.000 0.903 180 Q HN 0.421 nan 8.270 nan 0.000 0.433 181 T N 1.304 115.812 114.554 -0.077 0.000 2.777 181 T HA -0.104 4.246 4.350 0.001 0.000 0.266 181 T C 1.859 176.519 174.700 -0.067 0.000 1.040 181 T CA 0.749 62.707 62.100 -0.237 0.000 1.141 181 T CB -0.216 68.276 68.868 -0.627 0.000 0.868 181 T HN 0.164 nan 8.240 nan 0.000 0.444 182 L N 0.838 122.166 121.223 0.174 0.000 2.012 182 L HA -0.172 4.168 4.340 0.001 0.000 0.210 182 L C 2.940 179.927 176.870 0.195 0.000 1.073 182 L CA 1.462 56.523 54.840 0.369 0.000 0.748 182 L CB -1.039 41.367 42.059 0.578 0.000 0.891 182 L HN 0.334 nan 8.230 nan 0.000 0.431 183 T N -1.425 113.217 114.554 0.148 0.000 2.737 183 T HA -0.222 4.128 4.350 0.001 0.000 0.265 183 T C 1.819 176.537 174.700 0.031 0.000 1.038 183 T CA 1.133 63.272 62.100 0.065 0.000 1.144 183 T CB -0.246 68.675 68.868 0.089 0.000 0.866 183 T HN 0.328 nan 8.240 nan 0.000 0.434 184 Q N 1.078 120.892 119.800 0.023 0.000 2.133 184 Q HA -0.116 4.224 4.340 0.001 0.000 0.208 184 Q C 1.655 177.669 176.000 0.023 0.000 0.991 184 Q CA 1.237 57.043 55.803 0.006 0.000 0.867 184 Q CB -0.150 28.565 28.738 -0.038 0.000 0.911 184 Q HN 0.441 nan 8.270 nan 0.000 0.417 185 N N -0.523 118.203 118.700 0.043 0.000 2.268 185 N HA 0.023 4.764 4.740 0.001 0.000 0.204 185 N C 0.955 176.491 175.510 0.043 0.000 1.124 185 N CA 0.095 53.188 53.050 0.073 0.000 0.838 185 N CB 0.323 38.910 38.487 0.166 0.000 0.994 185 N HN 0.204 nan 8.380 nan 0.000 0.489 186 M N 1.206 120.788 119.600 -0.030 0.000 2.319 186 M HA -0.052 4.429 4.480 0.001 0.000 0.265 186 M C 1.956 178.125 176.300 -0.218 0.000 1.068 186 M CA 1.361 56.516 55.300 -0.241 0.000 1.118 186 M CB -0.082 32.178 32.600 -0.568 0.000 1.395 186 M HN 0.106 nan 8.290 nan 0.000 0.435 187 E N -0.372 119.886 120.200 0.097 0.000 2.072 187 E HA -0.216 4.134 4.350 0.001 0.000 0.191 187 E C 1.880 178.570 176.600 0.151 0.000 0.985 187 E CA 1.016 57.575 56.400 0.266 0.000 0.801 187 E CB 0.096 29.917 29.700 0.202 0.000 0.750 187 E HN 0.416 nan 8.360 nan 0.000 0.452 188 R N 0.637 121.193 120.500 0.094 0.000 2.070 188 R HA -0.130 4.210 4.340 0.001 0.000 0.233 188 R C 2.465 178.817 176.300 0.087 0.000 1.137 188 R CA 1.250 57.398 56.100 0.080 0.000 0.945 188 R CB -1.350 28.983 30.300 0.055 0.000 0.845 188 R HN 0.307 nan 8.270 nan 0.000 0.430 189 I N 0.389 120.987 120.570 0.046 0.000 2.127 189 I HA -0.261 3.909 4.170 0.001 0.000 0.241 189 I C 2.392 178.505 176.117 -0.006 0.000 1.075 189 I CA 1.512 62.815 61.300 0.005 0.000 1.334 189 I CB -0.362 37.582 38.000 -0.093 0.000 1.040 189 I HN -0.058 nan 8.210 nan 0.000 0.405 190 F N 0.329 120.147 119.950 -0.220 0.000 2.365 190 F HA -0.187 4.341 4.527 0.001 0.000 0.300 190 F C 2.754 178.510 175.800 -0.074 0.000 1.090 190 F CA 1.414 59.286 58.000 -0.213 0.000 1.408 190 F CB -0.105 38.751 39.000 -0.240 0.000 1.060 190 F HN -0.003 nan 8.300 nan 0.000 0.534 191 S N -0.591 115.199 115.700 0.151 0.000 2.406 191 S HA -0.206 4.264 4.470 0.001 0.000 0.228 191 S C 2.073 176.704 174.600 0.051 0.000 1.020 191 S CA 0.947 59.207 58.200 0.100 0.000 0.965 191 S CB -0.691 62.574 63.200 0.108 0.000 0.798 191 S HN 0.445 nan 8.310 nan 0.000 0.488 192 F N 2.143 122.049 119.950 -0.073 0.000 2.186 192 F HA 0.089 4.617 4.527 0.001 0.000 0.299 192 F C 1.671 177.389 175.800 -0.138 0.000 1.090 192 F CA 1.279 59.225 58.000 -0.091 0.000 1.307 192 F CB -0.384 38.564 39.000 -0.087 0.000 1.019 192 F HN 0.183 nan 8.300 nan 0.000 0.489 193 L N -0.374 120.618 121.223 -0.386 0.000 2.046 193 L HA -0.203 4.137 4.340 0.001 0.000 0.208 193 L C 2.451 179.046 176.870 -0.459 0.000 1.077 193 L CA 0.968 55.483 54.840 -0.542 0.000 0.747 193 L CB -0.894 40.818 42.059 -0.579 0.000 0.896 193 L HN 0.284 nan 8.230 nan 0.000 0.432 194 L N 0.256 121.273 121.223 -0.343 0.000 1.994 194 L HA -0.206 4.135 4.340 0.001 0.000 0.208 194 L C 2.299 179.052 176.870 -0.194 0.000 1.071 194 L CA 1.875 56.582 54.840 -0.221 0.000 0.745 194 L CB -0.805 41.192 42.059 -0.104 0.000 0.892 194 L HN 0.266 nan 8.230 nan 0.000 0.431 195 N N -1.176 117.413 118.700 -0.184 0.000 2.216 195 N HA -0.120 4.620 4.740 0.001 0.000 0.183 195 N C 1.661 177.054 175.510 -0.195 0.000 1.017 195 N CA 1.626 54.591 53.050 -0.143 0.000 0.861 195 N CB -0.564 37.876 38.487 -0.079 0.000 0.986 195 N HN 0.414 nan 8.380 nan 0.000 0.428 196 T N 2.379 116.723 114.554 -0.350 0.000 2.607 196 T HA -0.167 4.184 4.350 0.001 0.000 0.267 196 T C 2.013 176.575 174.700 -0.230 0.000 1.049 196 T CA 0.963 62.851 62.100 -0.353 0.000 1.162 196 T CB -0.573 67.935 68.868 -0.599 0.000 0.863 196 T HN 0.079 nan 8.240 nan 0.000 0.424 197 L N 1.078 122.157 121.223 -0.241 0.000 2.013 197 L HA -0.172 4.168 4.340 0.001 0.000 0.212 197 L C 2.623 179.420 176.870 -0.121 0.000 1.073 197 L CA 1.979 56.715 54.840 -0.173 0.000 0.753 197 L CB -0.870 41.083 42.059 -0.178 0.000 0.890 197 L HN 0.315 nan 8.230 nan 0.000 0.432 198 Q N -0.867 118.865 119.800 -0.113 0.000 2.020 198 Q HA -0.237 4.104 4.340 0.001 0.000 0.202 198 Q C 2.112 178.082 176.000 -0.051 0.000 0.982 198 Q CA 2.161 57.920 55.803 -0.073 0.000 0.838 198 Q CB -0.111 28.588 28.738 -0.064 0.000 0.899 198 Q HN 0.662 nan 8.270 nan 0.000 0.423 199 E N -0.034 120.132 120.200 -0.056 0.000 2.047 199 E HA -0.161 4.189 4.350 0.001 0.000 0.191 199 E C 1.993 178.580 176.600 -0.022 0.000 0.987 199 E CA 0.896 57.276 56.400 -0.034 0.000 0.799 199 E CB -0.101 29.578 29.700 -0.036 0.000 0.752 199 E HN 0.412 nan 8.360 nan 0.000 0.449 200 N N 0.730 119.406 118.700 -0.041 0.000 2.104 200 N HA -0.147 4.594 4.740 0.001 0.000 0.190 200 N C 2.071 177.587 175.510 0.011 0.000 1.024 200 N CA 0.991 54.027 53.050 -0.023 0.000 0.853 200 N CB -0.202 38.252 38.487 -0.056 0.000 1.008 200 N HN -0.007 nan 8.380 nan 0.000 0.424 201 V N 2.175 122.082 119.914 -0.011 0.000 2.231 201 V HA -0.300 3.820 4.120 0.001 0.000 0.248 201 V C 1.845 177.994 176.094 0.091 0.000 1.054 201 V CA 1.795 64.115 62.300 0.033 0.000 1.015 201 V CB -0.862 30.955 31.823 -0.011 0.000 0.638 201 V HN 0.375 nan 8.190 nan 0.000 0.444 202 N N -0.171 118.552 118.700 0.039 0.000 2.036 202 N HA -0.284 4.456 4.740 0.001 0.000 0.199 202 N C 1.817 177.351 175.510 0.039 0.000 1.036 202 N CA 1.939 55.008 53.050 0.032 0.000 0.870 202 N CB -0.292 38.201 38.487 0.011 0.000 1.055 202 N HN 0.512 nan 8.380 nan 0.000 0.436 203 K N 0.011 120.437 120.400 0.043 0.000 2.074 203 K HA -0.240 4.080 4.320 0.001 0.000 0.209 203 K C 1.988 178.628 176.600 0.065 0.000 1.048 203 K CA 1.432 57.744 56.287 0.042 0.000 0.926 203 K CB -0.400 32.125 32.500 0.041 0.000 0.713 203 K HN 0.360 nan 8.250 nan 0.000 0.444 204 Y N 2.221 122.508 120.300 -0.022 0.000 2.403 204 Y HA -0.201 4.350 4.550 0.001 0.000 0.291 204 Y C 2.162 178.051 175.900 -0.019 0.000 1.143 204 Y CA 1.178 59.265 58.100 -0.021 0.000 1.257 204 Y CB 0.044 38.488 38.460 -0.026 0.000 0.984 204 Y HN 0.081 nan 8.280 nan 0.000 0.550 205 Q N 0.611 120.394 119.800 -0.027 0.000 1.965 205 Q HA -0.230 4.110 4.340 0.001 0.000 0.200 205 Q C 2.269 178.186 176.000 -0.137 0.000 0.981 205 Q CA 2.315 58.068 55.803 -0.085 0.000 0.834 205 Q CB -0.638 28.099 28.738 -0.003 0.000 0.900 205 Q HN 0.791 nan 8.270 nan 0.000 0.426 206 Q N -0.217 119.532 119.800 -0.086 0.000 2.269 206 Q HA 0.010 4.351 4.340 0.001 0.000 0.201 206 Q C 1.871 177.811 176.000 -0.101 0.000 0.946 206 Q CA 1.126 56.883 55.803 -0.077 0.000 0.877 206 Q CB -0.071 28.641 28.738 -0.043 0.000 0.963 206 Q HN 0.094 nan 8.270 nan 0.000 0.472 207 V N 1.508 121.351 119.914 -0.118 0.000 3.129 207 V HA -0.143 3.977 4.120 0.001 0.000 0.259 207 V C 2.312 178.309 176.094 -0.160 0.000 1.116 207 V CA 1.270 63.506 62.300 -0.107 0.000 1.127 207 V CB -0.572 31.213 31.823 -0.064 0.000 0.742 207 V HN 0.343 nan 8.190 nan 0.000 0.474 208 K N 1.626 121.849 120.400 -0.296 0.000 1.980 208 K HA -0.225 4.096 4.320 0.001 0.000 0.223 208 K C 1.153 177.642 176.600 -0.185 0.000 1.052 208 K CA 2.266 58.330 56.287 -0.373 0.000 0.974 208 K CB -0.485 31.680 32.500 -0.559 0.000 0.734 208 K HN 0.597 nan 8.250 nan 0.000 0.447 209 T N 0.022 114.487 114.554 -0.148 0.000 3.477 209 T HA 0.216 4.566 4.350 0.001 0.000 0.347 209 T C -0.637 174.024 174.700 -0.066 0.000 1.567 209 T CA -0.600 61.447 62.100 -0.088 0.000 1.169 209 T CB 0.579 69.403 68.868 -0.075 0.000 1.196 209 T HN 0.215 nan 8.240 nan 0.000 0.768 210 D N 1.209 121.574 120.400 -0.058 0.000 3.256 210 D HA 0.193 4.834 4.640 0.001 0.000 0.332 210 D C 1.304 177.585 176.300 -0.031 0.000 1.327 210 D CA -0.143 53.832 54.000 -0.042 0.000 0.735 210 D CB -0.040 40.732 40.800 -0.046 0.000 1.280 210 D HN 0.308 nan 8.370 nan 0.000 0.572 211 T N -0.544 113.993 114.554 -0.027 0.000 2.711 211 T HA -0.349 4.001 4.350 0.001 0.000 0.189 211 T C 1.367 176.059 174.700 -0.014 0.000 1.551 211 T CA 2.360 64.449 62.100 -0.018 0.000 0.989 211 T CB -0.882 67.978 68.868 -0.014 0.000 0.835 211 T HN 0.322 nan 8.240 nan 0.000 0.499 212 S N 1.578 117.270 115.700 -0.012 0.000 2.906 212 S HA 0.187 4.657 4.470 0.001 0.000 0.234 212 S C 0.831 175.426 174.600 -0.007 0.000 0.973 212 S CA 0.167 58.362 58.200 -0.008 0.000 1.036 212 S CB -0.036 63.160 63.200 -0.007 0.000 0.798 212 S HN 0.512 nan 8.310 nan 0.000 0.498 213 Q N -0.024 119.771 119.800 -0.009 0.000 2.275 213 Q HA 0.140 4.480 4.340 0.001 0.000 0.314 213 Q C 0.230 176.229 176.000 -0.002 0.000 0.851 213 Q CA -0.109 55.690 55.803 -0.006 0.000 1.083 213 Q CB 0.514 29.245 28.738 -0.011 0.000 1.341 213 Q HN 0.201 nan 8.270 nan 0.000 0.402 214 E N -0.009 120.193 120.200 0.003 0.000 2.072 214 E HA -0.147 4.203 4.350 0.001 0.000 0.191 214 E C 1.918 178.533 176.600 0.026 0.000 0.985 214 E CA 1.690 58.097 56.400 0.013 0.000 0.801 214 E CB 0.063 29.770 29.700 0.012 0.000 0.750 214 E HN 0.411 nan 8.360 nan 0.000 0.452 215 S N 1.009 116.721 115.700 0.021 0.000 2.382 215 S HA -0.114 4.357 4.470 0.001 0.000 0.228 215 S C 1.837 176.456 174.600 0.032 0.000 1.027 215 S CA 0.985 59.200 58.200 0.024 0.000 0.991 215 S CB -0.120 63.090 63.200 0.016 0.000 0.823 215 S HN 0.149 nan 8.310 nan 0.000 0.469 216 K N 1.206 121.625 120.400 0.031 0.000 2.186 216 K HA 0.280 4.600 4.320 0.001 0.000 0.202 216 K C 2.576 179.217 176.600 0.069 0.000 1.052 216 K CA 0.763 57.072 56.287 0.038 0.000 0.965 216 K CB -0.395 32.120 32.500 0.025 0.000 0.746 216 K HN 0.459 nan 8.250 nan 0.000 0.457 217 A N 1.493 124.357 122.820 0.074 0.000 1.858 217 A HA -0.248 4.072 4.320 0.001 0.000 0.216 217 A C 2.145 179.877 177.584 0.247 0.000 1.190 217 A CA 1.560 53.687 52.037 0.150 0.000 0.617 217 A CB -0.549 18.478 19.000 0.044 0.000 0.827 217 A HN 0.190 nan 8.150 nan 0.000 0.443 218 Q N -0.572 119.314 119.800 0.143 0.000 2.234 218 Q HA -0.045 4.295 4.340 0.001 0.000 0.206 218 Q C 1.918 177.954 176.000 0.059 0.000 0.980 218 Q CA 1.763 57.626 55.803 0.100 0.000 0.869 218 Q CB -0.414 28.361 28.738 0.062 0.000 0.912 218 Q HN 0.644 nan 8.270 nan 0.000 0.436 219 A N -0.214 122.642 122.820 0.060 0.000 1.887 219 A HA -0.048 4.272 4.320 0.001 0.000 0.212 219 A C 1.823 179.422 177.584 0.025 0.000 1.198 219 A CA 0.982 53.040 52.037 0.035 0.000 0.628 219 A CB -0.399 18.620 19.000 0.032 0.000 0.847 219 A HN 0.403 nan 8.150 nan 0.000 0.449 220 N N -0.276 118.455 118.700 0.052 0.000 2.223 220 N HA -0.172 4.569 4.740 0.001 0.000 0.185 220 N C 1.784 177.276 175.510 -0.030 0.000 1.016 220 N CA 1.377 54.451 53.050 0.040 0.000 0.863 220 N CB -0.352 38.195 38.487 0.100 0.000 0.983 220 N HN 0.557 nan 8.380 nan 0.000 0.429 221 C N 1.648 120.901 119.300 -0.078 0.000 2.436 221 C HA -0.021 4.439 4.460 0.001 0.000 0.277 221 C C 2.667 177.546 174.990 -0.185 0.000 1.241 221 C CA 0.598 59.423 59.018 -0.321 0.000 1.721 221 C CB -0.903 26.602 27.740 -0.392 0.000 2.043 221 C HN 0.389 nan 8.230 nan 0.000 0.472 222 R N 0.228 120.677 120.500 -0.086 0.000 2.193 222 R HA -0.057 4.283 4.340 0.001 0.000 0.229 222 R C 1.902 178.180 176.300 -0.036 0.000 1.110 222 R CA 1.060 57.132 56.100 -0.046 0.000 0.988 222 R CB -0.693 29.606 30.300 -0.001 0.000 0.871 222 R HN 0.508 nan 8.270 nan 0.000 0.458 223 V N -0.405 119.482 119.914 -0.044 0.000 2.591 223 V HA -0.057 4.064 4.120 0.001 0.000 0.249 223 V C 2.380 178.425 176.094 -0.081 0.000 1.053 223 V CA 1.676 63.953 62.300 -0.039 0.000 1.068 223 V CB -0.530 31.274 31.823 -0.031 0.000 0.689 223 V HN 0.388 nan 8.190 nan 0.000 0.462 224 G N 0.340 109.071 108.800 -0.114 0.000 2.433 224 G HA2 -0.200 3.760 3.960 0.001 0.000 0.216 224 G HA3 -0.200 3.760 3.960 0.001 0.000 0.216 224 G C 1.676 176.501 174.900 -0.126 0.000 1.186 224 G CA 1.276 46.293 45.100 -0.138 0.000 0.779 224 G HN 0.331 nan 8.290 nan 0.000 0.543 225 V N 1.971 121.810 119.914 -0.124 0.000 2.250 225 V HA -0.253 3.867 4.120 0.001 0.000 0.250 225 V C 3.392 179.431 176.094 -0.092 0.000 1.060 225 V CA 2.373 64.612 62.300 -0.101 0.000 1.030 225 V CB -1.227 30.542 31.823 -0.090 0.000 0.643 225 V HN 0.507 nan 8.190 nan 0.000 0.445 226 A N -0.048 122.725 122.820 -0.078 0.000 1.903 226 A HA -0.248 4.073 4.320 0.001 0.000 0.219 226 A C 2.434 179.957 177.584 -0.102 0.000 1.191 226 A CA 2.798 54.781 52.037 -0.090 0.000 0.638 226 A CB -0.980 18.005 19.000 -0.025 0.000 0.823 226 A HN 0.667 nan 8.150 nan 0.000 0.451 227 A N -0.418 122.335 122.820 -0.111 0.000 1.877 227 A HA -0.055 4.265 4.320 0.001 0.000 0.216 227 A C 2.169 179.674 177.584 -0.131 0.000 1.186 227 A CA 1.557 53.506 52.037 -0.146 0.000 0.620 227 A CB -0.694 18.194 19.000 -0.187 0.000 0.822 227 A HN 0.494 nan 8.150 nan 0.000 0.443 228 L N -0.653 120.502 121.223 -0.113 0.000 2.127 228 L HA -0.217 4.123 4.340 0.001 0.000 0.211 228 L C 2.338 179.170 176.870 -0.064 0.000 1.089 228 L CA 1.499 56.287 54.840 -0.087 0.000 0.757 228 L CB -0.559 41.455 42.059 -0.076 0.000 0.899 228 L HN 0.405 nan 8.230 nan 0.000 0.434 229 N N -1.158 117.496 118.700 -0.075 0.000 2.173 229 N HA -0.155 4.585 4.740 0.001 0.000 0.184 229 N C 1.901 177.383 175.510 -0.047 0.000 1.025 229 N CA 1.592 54.600 53.050 -0.070 0.000 0.852 229 N CB -0.088 38.326 38.487 -0.120 0.000 0.998 229 N HN 0.108 nan 8.380 nan 0.000 0.427 230 T N -0.383 114.141 114.554 -0.050 0.000 2.985 230 T HA 0.095 4.446 4.350 0.001 0.000 0.266 230 T C 1.798 176.563 174.700 0.108 0.000 1.076 230 T CA 0.479 62.594 62.100 0.024 0.000 1.135 230 T CB -0.192 68.691 68.868 0.026 0.000 0.890 230 T HN 0.090 nan 8.240 nan 0.000 0.480 231 L N 0.630 121.853 121.223 0.002 0.000 2.093 231 L HA 0.083 4.424 4.340 0.001 0.000 0.208 231 L C 3.038 179.967 176.870 0.098 0.000 1.085 231 L CA 1.208 56.030 54.840 -0.030 0.000 0.755 231 L CB -0.550 41.419 42.059 -0.149 0.000 0.904 231 L HN 0.344 nan 8.230 nan 0.000 0.435 232 A N -0.064 122.794 122.820 0.063 0.000 2.024 232 A HA -0.178 4.143 4.320 0.001 0.000 0.220 232 A C 2.239 179.891 177.584 0.113 0.000 1.164 232 A CA 1.554 53.638 52.037 0.078 0.000 0.643 232 A CB -1.212 17.809 19.000 0.036 0.000 0.806 232 A HN 0.481 nan 8.150 nan 0.000 0.451 233 G N -3.069 105.799 108.800 0.113 0.000 2.586 233 G HA2 -0.065 3.896 3.960 0.001 0.000 0.215 233 G HA3 -0.065 3.896 3.960 0.001 0.000 0.215 233 G C 1.071 176.062 174.900 0.151 0.000 1.128 233 G CA 1.209 46.355 45.100 0.076 0.000 0.774 233 G HN 0.628 nan 8.290 nan 0.000 0.543 234 Y N -2.065 118.384 120.300 0.249 0.000 2.494 234 Y HA 0.354 4.905 4.550 0.001 0.000 0.271 234 Y C 2.052 177.916 175.900 -0.060 0.000 1.113 234 Y CA -0.734 57.405 58.100 0.066 0.000 1.240 234 Y CB 0.349 38.892 38.460 0.139 0.000 1.268 234 Y HN 0.127 nan 8.280 nan 0.000 0.510 235 I N 1.169 121.917 120.570 0.297 0.000 2.567 235 I HA -0.276 3.894 4.170 0.001 0.000 0.257 235 I C 1.616 177.800 176.117 0.111 0.000 1.184 235 I CA 2.283 63.723 61.300 0.233 0.000 1.451 235 I CB 0.118 38.242 38.000 0.206 0.000 1.089 235 I HN 0.375 nan 8.210 nan 0.000 0.441 236 D N -1.168 119.321 120.400 0.149 0.000 2.366 236 D HA -0.165 4.475 4.640 0.001 0.000 0.205 236 D C 1.857 178.260 176.300 0.172 0.000 1.022 236 D CA 0.167 54.246 54.000 0.131 0.000 0.868 236 D CB -0.392 40.486 40.800 0.130 0.000 0.953 236 D HN 0.601 nan 8.370 nan 0.000 0.514 237 W N 1.500 122.814 121.300 0.023 0.000 2.901 237 W HA 0.305 4.965 4.660 0.001 0.000 0.281 237 W C 0.121 176.648 176.519 0.013 0.000 1.167 237 W CA -0.049 57.295 57.345 0.000 0.000 1.506 237 W CB -0.351 29.093 29.460 -0.027 0.000 0.985 237 W HN -0.127 nan 8.180 nan 0.000 0.590 238 V N 1.847 121.563 119.914 -0.331 0.000 2.953 238 V HA 0.424 4.545 4.120 0.001 0.000 0.304 238 V C 0.821 176.782 176.094 -0.222 0.000 1.073 238 V CA -0.522 61.467 62.300 -0.518 0.000 1.064 238 V CB 1.028 32.349 31.823 -0.837 0.000 1.047 238 V HN 0.144 nan 8.190 nan 0.000 0.478 239 S N 3.126 118.745 115.700 -0.135 0.000 2.558 239 S HA 0.011 4.482 4.470 0.001 0.000 0.293 239 S C 0.897 175.467 174.600 -0.050 0.000 1.292 239 S CA 0.383 58.572 58.200 -0.018 0.000 1.063 239 S CB 0.090 63.329 63.200 0.065 0.000 0.831 239 S HN 1.048 nan 8.310 nan 0.000 0.499 240 M N 5.218 124.774 119.600 -0.073 0.000 2.279 240 M HA -0.047 4.433 4.480 0.001 0.000 0.264 240 M C 1.936 178.151 176.300 -0.143 0.000 1.062 240 M CA 1.835 57.077 55.300 -0.097 0.000 1.099 240 M CB -0.983 31.576 32.600 -0.067 0.000 1.394 240 M HN 0.771 nan 8.290 nan 0.000 0.426 241 S N -0.065 115.521 115.700 -0.190 0.000 2.422 241 S HA -0.277 4.193 4.470 0.001 0.000 0.241 241 S C 1.527 175.881 174.600 -0.409 0.000 1.076 241 S CA 2.189 60.193 58.200 -0.328 0.000 1.066 241 S CB -0.930 61.970 63.200 -0.500 0.000 0.890 241 S HN 0.744 nan 8.310 nan 0.000 0.465 242 H N -0.643 118.242 119.070 -0.308 0.000 2.595 242 H HA 0.362 4.919 4.556 0.001 0.000 0.265 242 H C 1.822 176.947 175.328 -0.339 0.000 0.953 242 H CA 0.397 56.200 56.048 -0.407 0.000 1.197 242 H CB 0.051 29.333 29.762 -0.801 0.000 1.438 242 H HN 0.311 nan 8.280 nan 0.000 0.531 243 I N 0.187 120.642 120.570 -0.191 0.000 2.277 243 I HA -0.185 3.986 4.170 0.001 0.000 0.243 243 I C 2.476 178.590 176.117 -0.005 0.000 1.094 243 I CA 1.598 62.866 61.300 -0.053 0.000 1.393 243 I CB -0.156 37.810 38.000 -0.057 0.000 1.078 243 I HN 0.361 nan 8.210 nan 0.000 0.417 244 T N -0.665 113.858 114.554 -0.052 0.000 2.951 244 T HA 0.043 4.393 4.350 0.001 0.000 0.268 244 T C 1.796 176.474 174.700 -0.038 0.000 1.073 244 T CA 0.686 62.762 62.100 -0.040 0.000 1.134 244 T CB -0.322 68.511 68.868 -0.059 0.000 0.884 244 T HN 0.342 nan 8.240 nan 0.000 0.479 245 A N 2.561 125.342 122.820 -0.065 0.000 2.545 245 A HA -0.333 3.988 4.320 0.001 0.000 0.266 245 A C 0.891 178.460 177.584 -0.025 0.000 2.597 245 A CA 2.253 54.260 52.037 -0.050 0.000 1.029 245 A CB -1.500 17.506 19.000 0.011 0.000 0.447 245 A HN 0.776 nan 8.150 nan 0.000 0.406 246 E N 0.987 121.188 120.200 0.003 0.000 1.998 246 E HA 0.395 4.746 4.350 0.001 0.000 0.257 246 E C -0.400 176.202 176.600 0.004 0.000 1.038 246 E CA 0.140 56.542 56.400 0.003 0.000 0.869 246 E CB -0.281 29.425 29.700 0.011 0.000 1.135 246 E HN 0.590 nan 8.360 nan 0.000 0.430 247 N N 1.375 120.074 118.700 -0.002 0.000 2.701 247 N HA -0.278 4.462 4.740 0.001 0.000 0.252 247 N C -0.724 174.791 175.510 0.009 0.000 1.002 247 N CA 0.414 53.465 53.050 0.002 0.000 0.758 247 N CB -1.349 37.142 38.487 0.007 0.000 0.937 247 N HN 0.581 nan 8.380 nan 0.000 0.538 248 C N -1.821 117.483 119.300 0.007 0.000 4.424 248 C HA -0.161 4.299 4.460 0.001 0.000 0.304 248 C C 1.873 176.877 174.990 0.023 0.000 1.344 248 C CA 0.554 59.581 59.018 0.014 0.000 2.033 248 C CB -1.844 25.904 27.740 0.014 0.000 1.264 248 C HN 0.607 nan 8.230 nan 0.000 0.750 249 K N -0.122 120.292 120.400 0.023 0.000 2.103 249 K HA -0.077 4.244 4.320 0.001 0.000 0.204 249 K C 2.148 178.758 176.600 0.016 0.000 1.052 249 K CA 1.096 57.394 56.287 0.018 0.000 0.945 249 K CB -0.062 32.446 32.500 0.013 0.000 0.722 249 K HN 0.669 nan 8.250 nan 0.000 0.443 250 L N 1.393 122.638 121.223 0.037 0.000 2.012 250 L HA -0.203 4.137 4.340 0.001 0.000 0.210 250 L C 1.894 178.780 176.870 0.026 0.000 1.073 250 L CA 1.746 56.612 54.840 0.043 0.000 0.748 250 L CB -0.426 41.711 42.059 0.130 0.000 0.891 250 L HN 0.255 nan 8.230 nan 0.000 0.431 251 L N -0.539 120.703 121.223 0.032 0.000 2.291 251 L HA -0.154 4.187 4.340 0.001 0.000 0.214 251 L C 2.379 179.257 176.870 0.014 0.000 1.120 251 L CA 0.413 55.266 54.840 0.021 0.000 0.799 251 L CB -0.240 41.831 42.059 0.019 0.000 0.925 251 L HN 0.260 nan 8.230 nan 0.000 0.446 252 E N 0.953 121.162 120.200 0.016 0.000 2.028 252 E HA -0.147 4.203 4.350 0.001 0.000 0.190 252 E C 2.129 178.704 176.600 -0.041 0.000 0.984 252 E CA 1.220 57.631 56.400 0.019 0.000 0.800 252 E CB -0.073 29.646 29.700 0.033 0.000 0.758 252 E HN 0.329 nan 8.360 nan 0.000 0.448 253 I N 0.422 120.960 120.570 -0.053 0.000 2.208 253 I HA -0.279 3.891 4.170 0.001 0.000 0.245 253 I C 2.244 178.297 176.117 -0.107 0.000 1.097 253 I CA 0.896 62.138 61.300 -0.097 0.000 1.363 253 I CB -0.286 37.670 38.000 -0.074 0.000 1.051 253 I HN 0.140 nan 8.210 nan 0.000 0.413 254 L N -0.267 120.920 121.223 -0.060 0.000 2.187 254 L HA -0.261 4.079 4.340 0.001 0.000 0.213 254 L C 2.558 179.406 176.870 -0.037 0.000 1.100 254 L CA 1.049 55.864 54.840 -0.041 0.000 0.765 254 L CB -0.519 41.533 42.059 -0.012 0.000 0.904 254 L HN 0.456 nan 8.230 nan 0.000 0.437 255 C N -0.940 118.331 119.300 -0.048 0.000 2.486 255 C HA -0.088 4.372 4.460 0.001 0.000 0.279 255 C C 2.638 177.532 174.990 -0.161 0.000 1.302 255 C CA 0.137 59.147 59.018 -0.013 0.000 1.720 255 C CB -0.500 27.293 27.740 0.089 0.000 2.030 255 C HN 0.500 nan 8.230 nan 0.000 0.490 256 L N 0.551 121.478 121.223 -0.494 0.000 2.083 256 L HA -0.054 4.286 4.340 0.001 0.000 0.209 256 L C 1.914 178.578 176.870 -0.344 0.000 1.083 256 L CA 1.921 56.226 54.840 -0.891 0.000 0.752 256 L CB -0.624 40.962 42.059 -0.788 0.000 0.899 256 L HN 0.147 nan 8.230 nan 0.000 0.433 257 L N -0.746 120.364 121.223 -0.189 0.000 2.552 257 L HA -0.025 4.315 4.340 0.001 0.000 0.227 257 L C 2.069 178.907 176.870 -0.054 0.000 1.146 257 L CA 1.083 55.862 54.840 -0.101 0.000 0.858 257 L CB -0.694 41.315 42.059 -0.083 0.000 0.969 257 L HN 0.293 nan 8.230 nan 0.000 0.451 258 L N -0.804 120.419 121.223 -0.001 0.000 2.291 258 L HA -0.115 4.226 4.340 0.001 0.000 0.214 258 L C 1.520 178.406 176.870 0.028 0.000 1.120 258 L CA 0.710 55.615 54.840 0.108 0.000 0.799 258 L CB -0.257 41.949 42.059 0.246 0.000 0.925 258 L HN 0.385 nan 8.230 nan 0.000 0.446 259 N N -0.188 118.526 118.700 0.024 0.000 2.336 259 N HA -0.017 4.723 4.740 0.001 0.000 0.189 259 N C 0.097 175.595 175.510 -0.019 0.000 1.113 259 N CA 0.186 53.252 53.050 0.027 0.000 0.858 259 N CB 0.531 39.086 38.487 0.114 0.000 0.970 259 N HN 0.170 nan 8.380 nan 0.000 0.471 260 E N 1.822 121.990 120.200 -0.053 0.000 2.055 260 E HA 0.106 4.457 4.350 0.001 0.000 0.274 260 E C 1.055 177.598 176.600 -0.095 0.000 0.949 260 E CA -0.394 55.986 56.400 -0.033 0.000 0.775 260 E CB 0.579 30.284 29.700 0.007 0.000 1.097 260 E HN -0.015 nan 8.360 nan 0.000 0.404 261 Q N 2.789 122.541 119.800 -0.079 0.000 2.197 261 Q HA -0.237 4.103 4.340 0.001 0.000 0.207 261 Q C 0.832 176.762 176.000 -0.117 0.000 0.984 261 Q CA 1.491 57.221 55.803 -0.121 0.000 0.869 261 Q CB -0.015 28.689 28.738 -0.057 0.000 0.906 261 Q HN 0.517 nan 8.270 nan 0.000 0.426 262 E N 0.052 120.204 120.200 -0.080 0.000 2.318 262 E HA 0.086 4.436 4.350 0.001 0.000 0.193 262 E C 1.617 178.128 176.600 -0.148 0.000 0.998 262 E CA 0.286 56.623 56.400 -0.105 0.000 0.859 262 E CB 0.272 29.898 29.700 -0.123 0.000 0.812 262 E HN 0.307 nan 8.360 nan 0.000 0.492 263 L N 0.107 121.238 121.223 -0.152 0.000 2.609 263 L HA 0.100 4.440 4.340 0.001 0.000 0.230 263 L C 2.156 178.967 176.870 -0.100 0.000 1.087 263 L CA 0.088 54.846 54.840 -0.136 0.000 0.874 263 L CB -0.142 41.828 42.059 -0.149 0.000 1.114 263 L HN 0.073 nan 8.230 nan 0.000 0.488 264 Q N 0.950 120.662 119.800 -0.148 0.000 2.133 264 Q HA -0.281 4.059 4.340 0.001 0.000 0.208 264 Q C 2.162 178.197 176.000 0.057 0.000 0.991 264 Q CA 2.072 57.778 55.803 -0.161 0.000 0.867 264 Q CB -0.603 27.732 28.738 -0.672 0.000 0.911 264 Q HN 0.542 nan 8.270 nan 0.000 0.417 265 L N 0.713 121.960 121.223 0.040 0.000 2.109 265 L HA 0.013 4.353 4.340 0.001 0.000 0.207 265 L C 2.358 179.291 176.870 0.103 0.000 1.086 265 L CA 1.366 56.313 54.840 0.179 0.000 0.760 265 L CB -0.592 41.536 42.059 0.114 0.000 0.910 265 L HN 0.438 nan 8.230 nan 0.000 0.437 266 G N -0.783 108.037 108.800 0.033 0.000 2.421 266 G HA2 -0.291 3.669 3.960 0.001 0.000 0.216 266 G HA3 -0.291 3.669 3.960 0.001 0.000 0.216 266 G C 1.595 176.507 174.900 0.020 0.000 1.171 266 G CA 0.721 45.825 45.100 0.006 0.000 0.775 266 G HN 0.541 nan 8.290 nan 0.000 0.543 267 A N 1.107 123.944 122.820 0.028 0.000 1.897 267 A HA 0.361 4.682 4.320 0.001 0.000 0.215 267 A C 2.825 180.451 177.584 0.070 0.000 1.181 267 A CA 2.041 54.097 52.037 0.031 0.000 0.620 267 A CB -0.815 18.197 19.000 0.020 0.000 0.821 267 A HN 0.813 nan 8.150 nan 0.000 0.443 268 A N -0.572 122.334 122.820 0.144 0.000 1.948 268 A HA -0.214 4.106 4.320 0.001 0.000 0.220 268 A C 2.021 179.630 177.584 0.040 0.000 1.177 268 A CA 1.963 54.067 52.037 0.112 0.000 0.636 268 A CB -0.419 18.679 19.000 0.163 0.000 0.815 268 A HN 0.432 nan 8.150 nan 0.000 0.449 269 E N -0.584 119.643 120.200 0.046 0.000 2.152 269 E HA -0.105 4.246 4.350 0.001 0.000 0.192 269 E C 2.118 178.730 176.600 0.021 0.000 0.983 269 E CA 0.909 57.324 56.400 0.024 0.000 0.818 269 E CB -0.470 29.245 29.700 0.026 0.000 0.758 269 E HN 0.625 nan 8.360 nan 0.000 0.467 270 C N 0.199 119.513 119.300 0.023 0.000 2.453 270 C HA -0.034 4.426 4.460 0.001 0.000 0.277 270 C C 2.829 177.834 174.990 0.024 0.000 1.262 270 C CA 0.267 59.300 59.018 0.026 0.000 1.718 270 C CB -1.065 26.685 27.740 0.017 0.000 2.031 270 C HN 0.379 nan 8.230 nan 0.000 0.480 271 L N 0.291 121.522 121.223 0.014 0.000 2.079 271 L HA -0.183 4.158 4.340 0.001 0.000 0.210 271 L C 2.499 179.360 176.870 -0.015 0.000 1.081 271 L CA 1.287 56.126 54.840 -0.002 0.000 0.752 271 L CB -0.533 41.521 42.059 -0.008 0.000 0.896 271 L HN 0.433 nan 8.230 nan 0.000 0.433 272 L N -0.209 121.005 121.223 -0.014 0.000 2.027 272 L HA -0.202 4.139 4.340 0.001 0.000 0.206 272 L C 2.423 179.286 176.870 -0.011 0.000 1.074 272 L CA 1.416 56.241 54.840 -0.025 0.000 0.745 272 L CB -0.071 41.972 42.059 -0.027 0.000 0.898 272 L HN 0.162 nan 8.230 nan 0.000 0.433 273 I N -0.080 120.495 120.570 0.008 0.000 2.394 273 I HA -0.216 3.955 4.170 0.001 0.000 0.251 273 I C 2.707 178.837 176.117 0.021 0.000 1.136 273 I CA 0.880 62.192 61.300 0.021 0.000 1.425 273 I CB -0.667 37.358 38.000 0.042 0.000 1.079 273 I HN 0.298 nan 8.210 nan 0.000 0.425 274 A N 0.325 123.156 122.820 0.019 0.000 1.873 274 A HA -0.103 4.218 4.320 0.001 0.000 0.215 274 A C 2.373 179.954 177.584 -0.004 0.000 1.186 274 A CA 1.439 53.486 52.037 0.017 0.000 0.616 274 A CB -0.783 18.227 19.000 0.018 0.000 0.823 274 A HN 0.244 nan 8.150 nan 0.000 0.442 275 V N 0.139 120.042 119.914 -0.019 0.000 3.541 275 V HA -0.006 4.114 4.120 0.001 0.000 0.267 275 V C 1.659 177.731 176.094 -0.037 0.000 1.213 275 V CA 1.598 63.874 62.300 -0.039 0.000 1.149 275 V CB -0.005 31.779 31.823 -0.064 0.000 0.822 275 V HN 0.525 nan 8.190 nan 0.000 0.462 276 S N -0.309 115.378 115.700 -0.023 0.000 2.556 276 S HA 0.247 4.718 4.470 0.001 0.000 0.216 276 S C 0.777 175.371 174.600 -0.010 0.000 0.970 276 S CA -0.364 57.824 58.200 -0.019 0.000 0.912 276 S CB -0.114 63.078 63.200 -0.013 0.000 0.790 276 S HN 0.495 nan 8.310 nan 0.000 0.504 277 R N 2.531 123.028 120.500 -0.006 0.000 2.480 277 R HA 0.102 4.443 4.340 0.001 0.000 0.303 277 R C 0.260 176.557 176.300 -0.006 0.000 0.985 277 R CA 0.297 56.398 56.100 0.002 0.000 1.051 277 R CB 0.339 30.641 30.300 0.003 0.000 0.935 277 R HN 0.065 nan 8.270 nan 0.000 0.410 278 K N 1.357 121.756 120.400 -0.003 0.000 2.627 278 K HA 0.560 4.880 4.320 0.001 0.000 0.269 278 K C 0.949 177.545 176.600 -0.007 0.000 1.029 278 K CA 0.004 56.286 56.287 -0.008 0.000 1.026 278 K CB 0.577 33.073 32.500 -0.008 0.000 1.350 278 K HN 0.751 nan 8.250 nan 0.000 0.506 279 G N 0.034 108.828 108.800 -0.010 0.000 2.384 279 G HA2 -0.184 3.776 3.960 0.001 0.000 0.200 279 G HA3 -0.184 3.776 3.960 0.001 0.000 0.200 279 G C -1.005 173.887 174.900 -0.013 0.000 1.205 279 G CA -0.517 44.577 45.100 -0.009 0.000 1.116 279 G HN 0.397 nan 8.290 nan 0.000 0.547 280 K N 0.496 120.889 120.400 -0.013 0.000 2.472 280 K HA 0.203 4.523 4.320 0.001 0.000 0.280 280 K C 1.630 178.219 176.600 -0.019 0.000 1.028 280 K CA -0.287 55.990 56.287 -0.016 0.000 1.045 280 K CB 0.477 32.968 32.500 -0.016 0.000 0.902 280 K HN 0.416 nan 8.250 nan 0.000 0.478 281 L N 4.679 125.890 121.223 -0.020 0.000 2.043 281 L HA -0.209 4.131 4.340 0.001 0.000 0.212 281 L C 1.330 178.184 176.870 -0.025 0.000 1.075 281 L CA 1.945 56.771 54.840 -0.023 0.000 0.752 281 L CB -0.359 41.686 42.059 -0.023 0.000 0.891 281 L HN 0.687 nan 8.230 nan 0.000 0.432 282 E N -0.952 119.233 120.200 -0.025 0.000 2.347 282 E HA -0.140 4.210 4.350 0.001 0.000 0.196 282 E C 1.615 178.198 176.600 -0.029 0.000 1.008 282 E CA 0.875 57.259 56.400 -0.027 0.000 0.852 282 E CB -0.194 29.490 29.700 -0.027 0.000 0.783 282 E HN 0.487 nan 8.360 nan 0.000 0.505 283 D N 0.300 120.684 120.400 -0.027 0.000 2.249 283 D HA -0.029 4.612 4.640 0.001 0.000 0.205 283 D C 1.632 177.915 176.300 -0.029 0.000 0.962 283 D CA 0.502 54.484 54.000 -0.029 0.000 0.860 283 D CB 0.084 40.869 40.800 -0.025 0.000 0.955 283 D HN 0.210 nan 8.370 nan 0.000 0.505 284 R N 1.018 121.503 120.500 -0.026 0.000 2.200 284 R HA 0.097 4.437 4.340 0.001 0.000 0.208 284 R C 1.846 178.131 176.300 -0.025 0.000 1.033 284 R CA 0.088 56.173 56.100 -0.025 0.000 1.000 284 R CB -0.133 30.152 30.300 -0.026 0.000 0.906 284 R HN 0.148 nan 8.270 nan 0.000 0.462 285 K N 1.114 121.498 120.400 -0.028 0.000 2.097 285 K HA -0.169 4.152 4.320 0.001 0.000 0.214 285 K C -0.811 175.777 176.600 -0.020 0.000 1.052 285 K CA 1.875 58.145 56.287 -0.028 0.000 0.932 285 K CB -0.979 31.502 32.500 -0.031 0.000 0.716 285 K HN 0.183 nan 8.250 nan 0.000 0.455 286 P HA -0.059 nan 4.420 nan 0.000 0.239 286 P C 0.757 178.054 177.300 -0.004 0.000 1.184 286 P CA 0.807 63.898 63.100 -0.015 0.000 0.760 286 P CB 0.028 31.712 31.700 -0.026 0.000 0.884 287 L N -1.600 119.620 121.223 -0.005 0.000 2.551 287 L HA 0.009 4.349 4.340 0.001 0.000 0.228 287 L C 1.919 178.806 176.870 0.028 0.000 1.153 287 L CA 0.596 55.434 54.840 -0.003 0.000 0.851 287 L CB -0.588 41.461 42.059 -0.016 0.000 0.959 287 L HN 0.001 nan 8.230 nan 0.000 0.451 288 M N -1.209 118.427 119.600 0.060 0.000 2.659 288 M HA -0.044 4.436 4.480 0.001 0.000 0.243 288 M C 1.950 178.346 176.300 0.160 0.000 1.111 288 M CA 0.721 56.117 55.300 0.159 0.000 1.070 288 M CB -0.472 32.169 32.600 0.068 0.000 1.525 288 M HN 0.072 nan 8.290 nan 0.000 0.517 289 V N 0.299 120.257 119.914 0.073 0.000 2.913 289 V HA -0.190 3.930 4.120 0.001 0.000 0.260 289 V C 2.199 178.325 176.094 0.053 0.000 1.098 289 V CA 1.028 63.365 62.300 0.061 0.000 1.121 289 V CB -0.622 31.220 31.823 0.032 0.000 0.714 289 V HN 0.429 nan 8.190 nan 0.000 0.487 290 L N -1.624 119.598 121.223 -0.002 0.000 2.376 290 L HA -0.029 4.312 4.340 0.001 0.000 0.219 290 L C 1.895 178.667 176.870 -0.164 0.000 1.133 290 L CA 1.188 55.965 54.840 -0.106 0.000 0.816 290 L CB -0.378 41.549 42.059 -0.221 0.000 0.933 290 L HN 0.276 nan 8.230 nan 0.000 0.449 291 F N 0.112 120.052 119.950 -0.017 0.000 2.811 291 F HA 0.127 4.655 4.527 0.001 0.000 0.301 291 F C 1.860 177.678 175.800 0.030 0.000 1.151 291 F CA -0.306 57.693 58.000 -0.002 0.000 1.412 291 F CB -0.330 38.647 39.000 -0.038 0.000 1.113 291 F HN -0.022 nan 8.300 nan 0.000 0.579 292 G N -0.003 108.896 108.800 0.165 0.000 2.636 292 G HA2 -0.013 3.947 3.960 0.001 0.000 0.246 292 G HA3 -0.013 3.947 3.960 0.001 0.000 0.246 292 G C 0.205 175.175 174.900 0.116 0.000 1.216 292 G CA -0.282 44.893 45.100 0.124 0.000 0.854 292 G HN 0.193 nan 8.290 nan 0.000 0.572 293 D N -0.595 119.860 120.400 0.092 0.000 2.104 293 D HA -0.150 4.491 4.640 0.001 0.000 0.194 293 D C 2.601 178.945 176.300 0.073 0.000 0.994 293 D CA 1.585 55.630 54.000 0.075 0.000 0.830 293 D CB 0.041 40.866 40.800 0.042 0.000 0.959 293 D HN 0.168 nan 8.370 nan 0.000 0.452 294 V N 0.993 120.952 119.914 0.075 0.000 2.255 294 V HA -0.186 3.934 4.120 0.001 0.000 0.243 294 V C 2.451 178.654 176.094 0.182 0.000 1.038 294 V CA 1.734 64.090 62.300 0.093 0.000 1.008 294 V CB -1.106 30.788 31.823 0.119 0.000 0.645 294 V HN 0.232 nan 8.190 nan 0.000 0.449 295 A N -0.184 122.748 122.820 0.186 0.000 1.883 295 A HA -0.285 4.036 4.320 0.001 0.000 0.217 295 A C 2.182 179.875 177.584 0.182 0.000 1.186 295 A CA 2.536 54.700 52.037 0.212 0.000 0.624 295 A CB -0.685 18.380 19.000 0.107 0.000 0.822 295 A HN 0.443 nan 8.150 nan 0.000 0.444 296 M N -0.864 118.809 119.600 0.121 0.000 2.346 296 M HA -0.129 4.351 4.480 0.001 0.000 0.263 296 M C 1.691 178.048 176.300 0.094 0.000 1.064 296 M CA 1.916 57.276 55.300 0.101 0.000 1.083 296 M CB -0.901 31.771 32.600 0.121 0.000 1.399 296 M HN 0.707 nan 8.290 nan 0.000 0.435 297 H N -1.608 117.448 119.070 -0.024 0.000 2.372 297 H HA -0.075 4.481 4.556 0.001 0.000 0.301 297 H C 1.419 176.674 175.328 -0.122 0.000 1.065 297 H CA 2.076 58.045 56.048 -0.132 0.000 1.364 297 H CB -0.195 29.390 29.762 -0.295 0.000 1.406 297 H HN 0.492 nan 8.280 nan 0.000 0.521 298 Y N -0.334 119.968 120.300 0.004 0.000 2.365 298 Y HA -0.051 4.500 4.550 0.001 0.000 0.293 298 Y C 2.318 178.219 175.900 0.001 0.000 1.119 298 Y CA 0.307 58.393 58.100 -0.023 0.000 1.203 298 Y CB 0.205 38.707 38.460 0.070 0.000 1.026 298 Y HN 0.230 nan 8.280 nan 0.000 0.549 299 I N -0.037 120.640 120.570 0.178 0.000 2.142 299 I HA -0.321 3.849 4.170 0.001 0.000 0.240 299 I C 2.311 178.490 176.117 0.103 0.000 1.078 299 I CA 1.581 62.961 61.300 0.133 0.000 1.343 299 I CB -1.081 36.975 38.000 0.092 0.000 1.046 299 I HN 0.300 nan 8.210 nan 0.000 0.405 300 L N 0.254 121.505 121.223 0.047 0.000 2.131 300 L HA -0.225 4.116 4.340 0.001 0.000 0.210 300 L C 2.799 179.671 176.870 0.003 0.000 1.092 300 L CA 1.274 56.133 54.840 0.032 0.000 0.759 300 L CB -0.109 41.953 42.059 0.006 0.000 0.903 300 L HN 0.249 nan 8.230 nan 0.000 0.435 301 S N -0.816 114.850 115.700 -0.057 0.000 2.387 301 S HA -0.114 4.357 4.470 0.001 0.000 0.226 301 S C 2.034 176.666 174.600 0.052 0.000 1.026 301 S CA 1.062 59.226 58.200 -0.060 0.000 0.972 301 S CB -0.040 63.073 63.200 -0.146 0.000 0.814 301 S HN 0.548 nan 8.310 nan 0.000 0.477 302 A N 0.803 123.699 122.820 0.126 0.000 1.969 302 A HA 0.334 4.655 4.320 0.001 0.000 0.218 302 A C 2.281 180.001 177.584 0.227 0.000 1.169 302 A CA 1.537 53.717 52.037 0.240 0.000 0.635 302 A CB -0.928 18.275 19.000 0.338 0.000 0.810 302 A HN 0.688 nan 8.150 nan 0.000 0.445 303 A N -1.012 121.894 122.820 0.145 0.000 2.072 303 A HA -0.022 4.298 4.320 0.001 0.000 0.216 303 A C 2.005 179.552 177.584 -0.060 0.000 1.156 303 A CA 1.120 53.188 52.037 0.052 0.000 0.701 303 A CB -0.312 18.776 19.000 0.147 0.000 0.816 303 A HN 0.606 nan 8.150 nan 0.000 0.458 304 Q N -0.351 119.451 119.800 0.003 0.000 2.172 304 Q HA -0.104 4.236 4.340 0.001 0.000 0.200 304 Q C 1.959 177.965 176.000 0.011 0.000 0.964 304 Q CA 1.648 57.445 55.803 -0.010 0.000 0.855 304 Q CB -0.317 28.422 28.738 0.000 0.000 0.918 304 Q HN 0.831 nan 8.270 nan 0.000 0.444 305 T N -1.961 112.633 114.554 0.066 0.000 3.155 305 T HA 0.109 4.459 4.350 0.001 0.000 0.264 305 T C 0.997 175.826 174.700 0.215 0.000 1.160 305 T CA 0.461 62.633 62.100 0.119 0.000 1.075 305 T CB -0.030 68.940 68.868 0.171 0.000 0.921 305 T HN 0.164 nan 8.240 nan 0.000 0.533 306 A N 1.644 124.508 122.820 0.074 0.000 3.077 306 A HA 0.236 4.556 4.320 0.001 0.000 0.255 306 A C 1.259 178.882 177.584 0.066 0.000 1.728 306 A CA -0.437 51.604 52.037 0.007 0.000 1.383 306 A CB -0.489 18.247 19.000 -0.440 0.000 1.097 306 A HN 0.394 nan 8.150 nan 0.000 0.634 307 D N 0.925 121.403 120.400 0.130 0.000 2.317 307 D HA 0.029 4.669 4.640 0.001 0.000 0.211 307 D C 1.551 177.921 176.300 0.117 0.000 0.966 307 D CA 1.277 55.327 54.000 0.082 0.000 0.876 307 D CB 0.152 40.984 40.800 0.054 0.000 0.927 307 D HN 0.782 nan 8.370 nan 0.000 0.519 308 G N 1.061 110.001 108.800 0.234 0.000 2.179 308 G HA2 -0.262 3.698 3.960 0.001 0.000 0.257 308 G HA3 -0.262 3.698 3.960 0.001 0.000 0.257 308 G C 0.870 175.893 174.900 0.206 0.000 1.010 308 G CA 0.185 45.465 45.100 0.300 0.000 0.736 308 G HN 0.483 nan 8.290 nan 0.000 0.513 309 G N 0.112 109.000 108.800 0.146 0.000 2.991 309 G HA2 0.603 4.563 3.960 0.001 0.000 0.262 309 G HA3 0.603 4.563 3.960 0.001 0.000 0.262 309 G C 1.162 176.107 174.900 0.075 0.000 0.765 309 G CA 1.317 46.465 45.100 0.081 0.000 2.051 309 G HN 1.999 nan 8.290 nan 0.000 0.602 310 G N -0.253 108.608 108.800 0.102 0.000 2.730 310 G HA2 0.051 4.012 3.960 0.001 0.000 0.686 310 G HA3 0.051 4.012 3.960 0.001 0.000 0.686 310 G C -0.392 174.454 174.900 -0.091 0.000 1.343 310 G CA -0.429 44.678 45.100 0.012 0.000 0.826 310 G HN 1.184 nan 8.290 nan 0.000 0.582 311 L N 0.939 121.961 121.223 -0.336 0.000 2.342 311 L HA 0.607 4.947 4.340 0.001 0.000 0.285 311 L C 0.321 177.048 176.870 -0.239 0.000 1.095 311 L CA -0.391 54.134 54.840 -0.525 0.000 0.843 311 L CB 0.970 42.519 42.059 -0.849 0.000 1.201 311 L HN 0.621 nan 8.230 nan 0.000 0.445 312 V N 5.990 125.838 119.914 -0.110 0.000 2.311 312 V HA 0.158 4.278 4.120 0.001 0.000 0.275 312 V C 1.269 177.363 176.094 -0.001 0.000 1.022 312 V CA -0.372 61.918 62.300 -0.017 0.000 0.830 312 V CB 0.884 32.736 31.823 0.048 0.000 1.012 312 V HN 0.901 nan 8.190 nan 0.000 0.452 313 E N 4.319 124.509 120.200 -0.017 0.000 2.147 313 E HA -0.281 4.070 4.350 0.001 0.000 0.199 313 E C 2.047 178.704 176.600 0.095 0.000 1.005 313 E CA 1.934 58.344 56.400 0.016 0.000 0.810 313 E CB 0.168 29.996 29.700 0.213 0.000 0.736 313 E HN 0.684 nan 8.360 nan 0.000 0.460 314 K N -0.717 119.751 120.400 0.113 0.000 2.025 314 K HA -0.226 4.095 4.320 0.001 0.000 0.207 314 K C 2.242 178.951 176.600 0.182 0.000 1.049 314 K CA 1.720 58.083 56.287 0.127 0.000 0.933 314 K CB -0.206 32.351 32.500 0.094 0.000 0.714 314 K HN 0.202 nan 8.250 nan 0.000 0.438 315 H N -0.898 118.225 119.070 0.090 0.000 2.403 315 H HA -0.116 4.440 4.556 0.001 0.000 0.298 315 H C 1.740 177.188 175.328 0.200 0.000 1.059 315 H CA 1.666 57.804 56.048 0.151 0.000 1.363 315 H CB -0.212 29.621 29.762 0.119 0.000 1.410 315 H HN 0.277 nan 8.280 nan 0.000 0.528 316 Y N 0.098 120.364 120.300 -0.057 0.000 2.293 316 Y HA -0.085 4.465 4.550 0.001 0.000 0.291 316 Y C 2.095 177.924 175.900 -0.117 0.000 1.137 316 Y CA 1.359 59.359 58.100 -0.167 0.000 1.202 316 Y CB -0.338 37.939 38.460 -0.305 0.000 0.990 316 Y HN 0.096 nan 8.280 nan 0.000 0.537 317 V N -0.007 119.834 119.914 -0.122 0.000 2.453 317 V HA -0.233 3.887 4.120 0.001 0.000 0.247 317 V C 2.140 178.201 176.094 -0.056 0.000 1.048 317 V CA 1.749 63.986 62.300 -0.104 0.000 1.049 317 V CB -1.080 30.791 31.823 0.079 0.000 0.672 317 V HN 0.491 nan 8.190 nan 0.000 0.457 318 F N 0.790 120.666 119.950 -0.124 0.000 2.102 318 F HA -0.158 4.369 4.527 0.001 0.000 0.298 318 F C 2.006 177.733 175.800 -0.123 0.000 1.105 318 F CA 1.600 59.544 58.000 -0.093 0.000 1.239 318 F CB -0.366 38.608 39.000 -0.043 0.000 0.991 318 F HN 0.029 nan 8.300 nan 0.000 0.474 319 L N 0.241 121.248 121.223 -0.359 0.000 2.046 319 L HA -0.249 4.091 4.340 0.001 0.000 0.208 319 L C 2.438 179.144 176.870 -0.273 0.000 1.077 319 L CA 1.714 56.350 54.840 -0.340 0.000 0.747 319 L CB -0.762 41.127 42.059 -0.285 0.000 0.896 319 L HN 0.093 nan 8.230 nan 0.000 0.432 320 K N -0.464 119.706 120.400 -0.384 0.000 2.152 320 K HA -0.235 4.085 4.320 0.001 0.000 0.206 320 K C 2.225 178.713 176.600 -0.185 0.000 1.048 320 K CA 1.232 57.373 56.287 -0.243 0.000 0.933 320 K CB -0.116 32.207 32.500 -0.296 0.000 0.721 320 K HN 0.062 nan 8.250 nan 0.000 0.447 321 R N 0.919 121.271 120.500 -0.247 0.000 2.066 321 R HA 0.002 4.342 4.340 0.001 0.000 0.224 321 R C 2.035 178.155 176.300 -0.299 0.000 1.122 321 R CA 0.687 56.662 56.100 -0.209 0.000 0.974 321 R CB -0.632 29.587 30.300 -0.136 0.000 0.871 321 R HN 0.065 nan 8.270 nan 0.000 0.435 322 L N 0.347 121.271 121.223 -0.499 0.000 2.081 322 L HA -0.208 4.133 4.340 0.001 0.000 0.212 322 L C 2.212 178.796 176.870 -0.477 0.000 1.080 322 L CA 1.787 56.343 54.840 -0.473 0.000 0.754 322 L CB -1.012 40.710 42.059 -0.561 0.000 0.893 322 L HN 0.418 nan 8.230 nan 0.000 0.433 323 C N -0.595 118.329 119.300 -0.626 0.000 2.446 323 C HA -0.168 4.293 4.460 0.001 0.000 0.277 323 C C 2.733 177.481 174.990 -0.403 0.000 1.275 323 C CA 1.139 59.636 59.018 -0.868 0.000 1.727 323 C CB -0.779 26.536 27.740 -0.708 0.000 2.010 323 C HN 0.679 nan 8.230 nan 0.000 0.486 324 Q N -0.247 119.405 119.800 -0.247 0.000 2.224 324 Q HA -0.098 4.242 4.340 0.001 0.000 0.203 324 Q C 2.183 178.105 176.000 -0.130 0.000 0.970 324 Q CA 1.468 57.190 55.803 -0.135 0.000 0.865 324 Q CB -0.065 28.628 28.738 -0.075 0.000 0.922 324 Q HN 0.635 nan 8.270 nan 0.000 0.445 325 V N 0.910 120.728 119.914 -0.160 0.000 2.358 325 V HA -0.233 3.888 4.120 0.001 0.000 0.246 325 V C 2.060 178.072 176.094 -0.137 0.000 1.047 325 V CA 1.457 63.678 62.300 -0.132 0.000 1.035 325 V CB -0.375 31.372 31.823 -0.126 0.000 0.658 325 V HN 0.367 nan 8.190 nan 0.000 0.452 326 L N -1.153 119.977 121.223 -0.154 0.000 2.156 326 L HA -0.142 4.199 4.340 0.001 0.000 0.208 326 L C 2.552 179.325 176.870 -0.162 0.000 1.095 326 L CA 1.012 55.803 54.840 -0.083 0.000 0.770 326 L CB -0.495 41.534 42.059 -0.049 0.000 0.914 326 L HN 0.404 nan 8.230 nan 0.000 0.439 327 C N -0.348 118.878 119.300 -0.123 0.000 2.453 327 C HA -0.102 4.358 4.460 0.001 0.000 0.277 327 C C 3.106 178.006 174.990 -0.150 0.000 1.262 327 C CA 0.842 59.782 59.018 -0.131 0.000 1.718 327 C CB -0.860 26.862 27.740 -0.029 0.000 2.031 327 C HN 0.610 nan 8.230 nan 0.000 0.480 328 A N -0.215 122.534 122.820 -0.118 0.000 1.930 328 A HA -0.090 4.231 4.320 0.001 0.000 0.217 328 A C 2.195 179.698 177.584 -0.135 0.000 1.175 328 A CA 1.235 53.210 52.037 -0.103 0.000 0.627 328 A CB -0.676 18.274 19.000 -0.082 0.000 0.815 328 A HN 0.612 nan 8.150 nan 0.000 0.443 329 L N -0.570 120.545 121.223 -0.180 0.000 2.093 329 L HA -0.098 4.242 4.340 0.001 0.000 0.208 329 L C 2.470 179.163 176.870 -0.296 0.000 1.085 329 L CA 1.602 56.293 54.840 -0.247 0.000 0.755 329 L CB -0.824 41.024 42.059 -0.352 0.000 0.904 329 L HN 0.467 nan 8.230 nan 0.000 0.435 330 G N -0.368 108.224 108.800 -0.346 0.000 2.422 330 G HA2 -0.301 3.659 3.960 0.001 0.000 0.218 330 G HA3 -0.301 3.659 3.960 0.001 0.000 0.218 330 G C 1.200 175.987 174.900 -0.188 0.000 1.146 330 G CA 0.887 45.809 45.100 -0.298 0.000 0.769 330 G HN 0.406 nan 8.290 nan 0.000 0.547 331 N N 0.110 118.720 118.700 -0.149 0.000 2.250 331 N HA -0.017 4.723 4.740 0.001 0.000 0.181 331 N C 2.324 177.786 175.510 -0.080 0.000 1.017 331 N CA 0.698 53.691 53.050 -0.095 0.000 0.866 331 N CB -0.172 38.272 38.487 -0.071 0.000 0.985 331 N HN 0.101 nan 8.380 nan 0.000 0.429 332 Q N 0.537 120.286 119.800 -0.085 0.000 2.062 332 Q HA -0.174 4.167 4.340 0.001 0.000 0.209 332 Q C 2.087 178.039 176.000 -0.080 0.000 0.996 332 Q CA 1.112 56.875 55.803 -0.067 0.000 0.859 332 Q CB -0.859 27.844 28.738 -0.058 0.000 0.920 332 Q HN 0.349 nan 8.270 nan 0.000 0.415 333 L N 0.150 121.307 121.223 -0.110 0.000 2.046 333 L HA -0.138 4.202 4.340 0.001 0.000 0.208 333 L C 2.318 179.043 176.870 -0.242 0.000 1.077 333 L CA 1.694 56.410 54.840 -0.206 0.000 0.747 333 L CB -0.762 41.105 42.059 -0.320 0.000 0.896 333 L HN 0.214 nan 8.230 nan 0.000 0.432 334 C N -0.659 118.529 119.300 -0.187 0.000 2.432 334 C HA 0.030 4.490 4.460 0.001 0.000 0.280 334 C C 2.841 177.874 174.990 0.072 0.000 1.353 334 C CA 0.633 59.590 59.018 -0.100 0.000 1.766 334 C CB -1.505 26.231 27.740 -0.007 0.000 1.924 334 C HN 0.712 nan 8.230 nan 0.000 0.509 335 A N -0.466 122.352 122.820 -0.002 0.000 1.997 335 A HA 0.194 4.514 4.320 0.001 0.000 0.212 335 A C 1.944 179.527 177.584 -0.001 0.000 1.178 335 A CA 0.692 52.735 52.037 0.011 0.000 0.698 335 A CB -0.284 18.708 19.000 -0.014 0.000 0.842 335 A HN 0.536 nan 8.150 nan 0.000 0.458 336 L N -1.004 120.199 121.223 -0.033 0.000 2.179 336 L HA -0.013 4.327 4.340 0.001 0.000 0.208 336 L C 2.359 179.204 176.870 -0.042 0.000 1.096 336 L CA 0.377 55.190 54.840 -0.046 0.000 0.779 336 L CB -0.254 41.762 42.059 -0.071 0.000 0.922 336 L HN 0.363 nan 8.230 nan 0.000 0.443 337 L N 0.017 121.217 121.223 -0.037 0.000 2.049 337 L HA 0.058 4.398 4.340 0.001 0.000 0.203 337 L C 2.468 179.412 176.870 0.123 0.000 1.074 337 L CA 1.943 56.783 54.840 -0.001 0.000 0.749 337 L CB -1.225 40.761 42.059 -0.122 0.000 0.907 337 L HN 0.135 nan 8.230 nan 0.000 0.439 338 G N -0.530 108.413 108.800 0.237 0.000 2.597 338 G HA2 -0.376 3.585 3.960 0.001 0.000 0.222 338 G HA3 -0.376 3.585 3.960 0.001 0.000 0.222 338 G C 1.364 176.237 174.900 -0.045 0.000 1.135 338 G CA 0.903 45.969 45.100 -0.056 0.000 0.759 338 G HN 0.620 nan 8.290 nan 0.000 0.595 339 A N 1.512 124.321 122.820 -0.017 0.000 2.258 339 A HA 0.203 4.523 4.320 0.001 0.000 0.206 339 A C 1.609 179.177 177.584 -0.027 0.000 1.222 339 A CA 1.462 53.482 52.037 -0.027 0.000 0.822 339 A CB -0.543 18.442 19.000 -0.024 0.000 0.804 339 A HN 0.773 nan 8.150 nan 0.000 0.483 340 D N -0.930 119.456 120.400 -0.024 0.000 2.988 340 D HA -0.274 4.367 4.640 0.001 0.000 0.207 340 D C 0.347 176.629 176.300 -0.031 0.000 1.148 340 D CA 1.375 55.359 54.000 -0.027 0.000 0.950 340 D CB -2.304 38.480 40.800 -0.027 0.000 1.068 340 D HN 0.702 nan 8.370 nan 0.000 0.375 341 S N 0.628 116.309 115.700 -0.031 0.000 3.024 341 S HA 0.357 4.827 4.470 0.001 0.000 0.316 341 S C 0.276 174.854 174.600 -0.037 0.000 1.197 341 S CA 0.314 58.495 58.200 -0.032 0.000 1.097 341 S CB 0.553 63.735 63.200 -0.030 0.000 1.471 341 S HN 0.299 nan 8.310 nan 0.000 0.543 342 D N -0.513 119.864 120.400 -0.038 0.000 2.429 342 D HA -0.193 4.447 4.640 0.001 0.000 0.162 342 D C -0.116 176.152 176.300 -0.054 0.000 1.615 342 D CA 1.544 55.519 54.000 -0.041 0.000 1.630 342 D CB -1.604 39.174 40.800 -0.037 0.000 1.347 342 D HN 0.564 nan 8.370 nan 0.000 0.454 343 V N 1.452 121.328 119.914 -0.064 0.000 2.485 343 V HA 0.193 4.313 4.120 0.001 0.000 0.287 343 V C 0.640 176.669 176.094 -0.109 0.000 1.022 343 V CA 0.530 62.774 62.300 -0.094 0.000 1.067 343 V CB 0.884 32.644 31.823 -0.106 0.000 0.967 343 V HN 0.066 nan 8.190 nan 0.000 0.479 344 E N 2.247 122.372 120.200 -0.125 0.000 2.227 344 E HA 0.351 4.702 4.350 0.001 0.000 0.268 344 E C -0.100 176.379 176.600 -0.201 0.000 0.907 344 E CA -0.690 55.632 56.400 -0.130 0.000 0.786 344 E CB 1.861 31.507 29.700 -0.091 0.000 1.191 344 E HN 0.628 nan 8.360 nan 0.000 0.411 345 T N 4.055 118.472 114.554 -0.229 0.000 2.778 345 T HA 0.077 4.427 4.350 0.001 0.000 0.282 345 T C -2.137 172.390 174.700 -0.289 0.000 0.983 345 T CA -0.645 61.245 62.100 -0.351 0.000 1.193 345 T CB -0.386 68.289 68.868 -0.322 0.000 0.938 345 T HN 0.090 nan 8.240 nan 0.000 0.523 346 P HA 0.058 nan 4.420 nan 0.000 0.264 346 P C 0.689 177.952 177.300 -0.061 0.000 1.179 346 P CA 0.050 62.992 63.100 -0.263 0.000 0.763 346 P CB 0.490 31.861 31.700 -0.549 0.000 0.806 347 S N 1.847 117.555 115.700 0.014 0.000 2.348 347 S HA -0.170 4.300 4.470 0.001 0.000 0.221 347 S C 1.049 175.726 174.600 0.129 0.000 1.033 347 S CA 1.546 59.785 58.200 0.066 0.000 1.010 347 S CB -0.895 62.340 63.200 0.058 0.000 0.891 347 S HN 0.591 nan 8.310 nan 0.000 0.442 348 N N 0.958 119.757 118.700 0.165 0.000 2.601 348 N HA 0.082 4.822 4.740 0.001 0.000 0.201 348 N C 0.771 176.494 175.510 0.355 0.000 1.355 348 N CA -0.140 53.049 53.050 0.232 0.000 0.880 348 N CB -0.224 38.402 38.487 0.231 0.000 1.071 348 N HN 0.230 nan 8.380 nan 0.000 0.454 349 F N 1.254 121.280 119.950 0.126 0.000 2.216 349 F HA -0.030 4.497 4.527 0.001 0.000 0.300 349 F C 2.184 178.111 175.800 0.213 0.000 1.085 349 F CA 0.990 59.082 58.000 0.154 0.000 1.326 349 F CB -0.702 38.294 39.000 -0.006 0.000 1.027 349 F HN 0.058 nan 8.300 nan 0.000 0.497 350 G N 0.204 109.046 108.800 0.070 0.000 2.442 350 G HA2 -0.272 3.688 3.960 0.001 0.000 0.219 350 G HA3 -0.272 3.688 3.960 0.001 0.000 0.219 350 G C 1.779 176.695 174.900 0.027 0.000 1.141 350 G CA 0.851 45.937 45.100 -0.024 0.000 0.763 350 G HN 0.385 nan 8.290 nan 0.000 0.554 351 K N -0.762 119.708 120.400 0.116 0.000 2.103 351 K HA -0.038 4.283 4.320 0.001 0.000 0.204 351 K C 2.197 178.888 176.600 0.151 0.000 1.052 351 K CA 0.981 57.342 56.287 0.124 0.000 0.945 351 K CB -0.305 32.281 32.500 0.143 0.000 0.722 351 K HN 0.388 nan 8.250 nan 0.000 0.443 352 Y N 2.160 122.517 120.300 0.094 0.000 2.181 352 Y HA -0.181 4.369 4.550 0.001 0.000 0.288 352 Y C 1.781 177.702 175.900 0.036 0.000 1.146 352 Y CA 1.245 59.392 58.100 0.079 0.000 1.164 352 Y CB -0.287 38.318 38.460 0.241 0.000 0.982 352 Y HN -0.097 nan 8.280 nan 0.000 0.515 353 L N 0.192 121.317 121.223 -0.163 0.000 1.994 353 L HA -0.213 4.127 4.340 0.001 0.000 0.208 353 L C 2.630 179.495 176.870 -0.009 0.000 1.071 353 L CA 2.029 56.761 54.840 -0.179 0.000 0.745 353 L CB -0.699 41.247 42.059 -0.188 0.000 0.892 353 L HN 0.276 nan 8.230 nan 0.000 0.431 354 E N -0.528 119.679 120.200 0.012 0.000 2.118 354 E HA -0.267 4.084 4.350 0.001 0.000 0.195 354 E C 2.298 178.933 176.600 0.060 0.000 0.992 354 E CA 1.539 57.968 56.400 0.049 0.000 0.804 354 E CB 0.030 29.755 29.700 0.041 0.000 0.741 354 E HN 0.328 nan 8.360 nan 0.000 0.458 355 S N -0.687 115.043 115.700 0.049 0.000 2.357 355 S HA -0.133 4.337 4.470 0.001 0.000 0.221 355 S C 1.664 176.373 174.600 0.181 0.000 1.031 355 S CA 0.816 59.071 58.200 0.092 0.000 0.982 355 S CB -0.480 62.782 63.200 0.102 0.000 0.853 355 S HN 0.433 nan 8.310 nan 0.000 0.458 356 F N 1.957 121.794 119.950 -0.189 0.000 2.202 356 F HA -0.001 4.527 4.527 0.001 0.000 0.301 356 F C 1.886 177.775 175.800 0.149 0.000 1.082 356 F CA 0.998 58.887 58.000 -0.184 0.000 1.313 356 F CB -0.487 38.052 39.000 -0.768 0.000 1.024 356 F HN 0.273 nan 8.300 nan 0.000 0.495 357 L N -0.523 120.834 121.223 0.223 0.000 2.156 357 L HA -0.019 4.321 4.340 0.001 0.000 0.208 357 L C 2.506 179.443 176.870 0.112 0.000 1.095 357 L CA 1.341 56.332 54.840 0.252 0.000 0.770 357 L CB -0.736 41.460 42.059 0.229 0.000 0.914 357 L HN 0.070 nan 8.230 nan 0.000 0.439 358 A N -0.036 122.816 122.820 0.053 0.000 1.927 358 A HA -0.285 4.035 4.320 0.001 0.000 0.220 358 A C 1.926 179.408 177.584 -0.171 0.000 1.185 358 A CA 2.295 54.281 52.037 -0.085 0.000 0.639 358 A CB -1.107 17.786 19.000 -0.179 0.000 0.820 358 A HN 0.527 nan 8.150 nan 0.000 0.451 359 F N -0.037 119.862 119.950 -0.084 0.000 2.512 359 F HA -0.019 4.508 4.527 0.001 0.000 0.296 359 F C 2.545 178.296 175.800 -0.081 0.000 1.110 359 F CA 1.471 59.398 58.000 -0.122 0.000 1.446 359 F CB -0.503 38.351 39.000 -0.245 0.000 1.092 359 F HN 0.116 nan 8.300 nan 0.000 0.554 360 T N -1.500 113.110 114.554 0.093 0.000 2.951 360 T HA -0.117 4.233 4.350 0.001 0.000 0.268 360 T C 1.929 176.653 174.700 0.041 0.000 1.073 360 T CA 1.777 63.936 62.100 0.098 0.000 1.134 360 T CB -0.504 68.493 68.868 0.215 0.000 0.884 360 T HN 0.345 nan 8.240 nan 0.000 0.479 361 T N -0.816 113.754 114.554 0.027 0.000 3.086 361 T HA 0.159 4.510 4.350 0.001 0.000 0.250 361 T C 0.397 175.090 174.700 -0.012 0.000 1.074 361 T CA -0.448 61.638 62.100 -0.023 0.000 0.988 361 T CB -0.520 68.323 68.868 -0.041 0.000 0.988 361 T HN 0.563 nan 8.240 nan 0.000 0.530 362 H N 2.062 121.087 119.070 -0.075 0.000 2.652 362 H HA 0.282 4.839 4.556 0.001 0.000 0.349 362 H C -1.761 173.482 175.328 -0.142 0.000 1.099 362 H CA -1.506 54.478 56.048 -0.106 0.000 1.417 362 H CB 1.054 30.754 29.762 -0.102 0.000 1.457 362 H HN -0.175 nan 8.280 nan 0.000 0.568 363 P HA -0.167 nan 4.420 nan 0.000 0.221 363 P C -0.173 176.831 177.300 -0.494 0.000 1.141 363 P CA 1.212 63.909 63.100 -0.672 0.000 0.794 363 P CB 0.161 31.375 31.700 -0.811 0.000 0.764 364 S N -0.389 115.111 115.700 -0.334 0.000 2.499 364 S HA 0.050 4.520 4.470 0.001 0.000 0.275 364 S C 1.394 176.167 174.600 0.287 0.000 1.257 364 S CA -0.560 57.655 58.200 0.026 0.000 1.050 364 S CB 0.176 63.622 63.200 0.409 0.000 0.937 364 S HN -0.009 nan 8.310 nan 0.000 0.490 365 Q N 3.520 123.547 119.800 0.378 0.000 2.077 365 Q HA -0.165 4.175 4.340 0.001 0.000 0.206 365 Q C 1.570 177.897 176.000 0.544 0.000 0.989 365 Q CA 1.866 57.967 55.803 0.496 0.000 0.853 365 Q CB -0.415 28.720 28.738 0.663 0.000 0.907 365 Q HN 0.947 nan 8.270 nan 0.000 0.418 366 F N 1.024 121.219 119.950 0.408 0.000 2.095 366 F HA -0.237 4.290 4.527 0.001 0.000 0.298 366 F C 2.152 178.131 175.800 0.297 0.000 1.104 366 F CA 1.255 59.443 58.000 0.312 0.000 1.232 366 F CB -0.271 38.817 39.000 0.146 0.000 0.987 366 F HN -0.000 nan 8.300 nan 0.000 0.475 367 L N -0.136 121.333 121.223 0.411 0.000 2.017 367 L HA -0.238 4.102 4.340 0.001 0.000 0.208 367 L C 2.674 179.624 176.870 0.134 0.000 1.073 367 L CA 1.586 56.566 54.840 0.233 0.000 0.745 367 L CB -0.659 41.555 42.059 0.259 0.000 0.894 367 L HN 0.084 nan 8.230 nan 0.000 0.432 368 R N -0.535 120.077 120.500 0.187 0.000 2.083 368 R HA -0.136 4.204 4.340 0.001 0.000 0.237 368 R C 2.428 178.787 176.300 0.099 0.000 1.137 368 R CA 1.687 57.864 56.100 0.130 0.000 0.951 368 R CB -0.495 29.884 30.300 0.132 0.000 0.851 368 R HN 0.257 nan 8.270 nan 0.000 0.434 369 S N 0.479 116.255 115.700 0.127 0.000 2.419 369 S HA -0.106 4.364 4.470 0.001 0.000 0.235 369 S C 1.944 176.544 174.600 0.001 0.000 1.019 369 S CA 1.350 59.592 58.200 0.070 0.000 0.982 369 S CB -0.062 63.247 63.200 0.182 0.000 0.789 369 S HN 0.276 nan 8.310 nan 0.000 0.490 370 S N 1.169 116.829 115.700 -0.066 0.000 2.406 370 S HA -0.079 4.391 4.470 0.001 0.000 0.228 370 S C 2.327 176.913 174.600 -0.024 0.000 1.020 370 S CA 1.386 59.514 58.200 -0.120 0.000 0.965 370 S CB -0.494 62.561 63.200 -0.241 0.000 0.798 370 S HN 0.872 nan 8.310 nan 0.000 0.488 371 T N 0.035 114.583 114.554 -0.012 0.000 2.951 371 T HA -0.053 4.297 4.350 0.001 0.000 0.268 371 T C 1.708 176.559 174.700 0.252 0.000 1.073 371 T CA 0.617 62.703 62.100 -0.024 0.000 1.134 371 T CB -0.268 68.396 68.868 -0.340 0.000 0.884 371 T HN 0.073 nan 8.240 nan 0.000 0.479 372 Q N 1.180 121.161 119.800 0.302 0.000 2.047 372 Q HA -0.093 4.247 4.340 0.001 0.000 0.211 372 Q C 2.388 178.560 176.000 0.287 0.000 1.005 372 Q CA 1.642 57.664 55.803 0.364 0.000 0.866 372 Q CB -0.667 28.181 28.738 0.183 0.000 0.938 372 Q HN 0.487 nan 8.270 nan 0.000 0.414 373 M N -0.133 119.560 119.600 0.155 0.000 2.149 373 M HA -0.124 4.356 4.480 0.001 0.000 0.261 373 M C 1.995 178.347 176.300 0.087 0.000 1.064 373 M CA 1.559 56.921 55.300 0.103 0.000 1.102 373 M CB -1.087 31.544 32.600 0.052 0.000 1.369 373 M HN 0.195 nan 8.290 nan 0.000 0.408 374 T N -1.094 113.499 114.554 0.065 0.000 2.857 374 T HA -0.133 4.217 4.350 0.001 0.000 0.266 374 T C 1.453 176.101 174.700 -0.086 0.000 1.048 374 T CA 0.933 62.998 62.100 -0.057 0.000 1.139 374 T CB -0.309 68.450 68.868 -0.181 0.000 0.874 374 T HN 0.477 nan 8.240 nan 0.000 0.455 375 W N 1.414 122.726 121.300 0.019 0.000 2.335 375 W HA -0.034 4.627 4.660 0.001 0.000 0.311 375 W C 2.820 179.113 176.519 -0.376 0.000 1.213 375 W CA 0.584 57.735 57.345 -0.325 0.000 1.274 375 W CB -0.737 28.644 29.460 -0.131 0.000 1.148 375 W HN 0.297 nan 8.180 nan 0.000 0.498 376 G N 0.154 109.082 108.800 0.212 0.000 2.442 376 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 376 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 376 G C 1.563 176.536 174.900 0.122 0.000 1.141 376 G CA 1.356 46.575 45.100 0.199 0.000 0.763 376 G HN 0.343 nan 8.290 nan 0.000 0.554 377 A N 0.164 123.021 122.820 0.061 0.000 2.015 377 A HA 0.219 4.539 4.320 0.001 0.000 0.219 377 A C 2.375 179.991 177.584 0.055 0.000 1.163 377 A CA 0.959 53.028 52.037 0.054 0.000 0.646 377 A CB -0.243 18.768 19.000 0.019 0.000 0.806 377 A HN 0.367 nan 8.150 nan 0.000 0.448 378 L N -2.130 119.062 121.223 -0.052 0.000 2.179 378 L HA -0.008 4.333 4.340 0.001 0.000 0.208 378 L C 2.015 178.942 176.870 0.095 0.000 1.096 378 L CA 0.897 55.703 54.840 -0.057 0.000 0.779 378 L CB -0.301 41.651 42.059 -0.179 0.000 0.922 378 L HN 0.460 nan 8.230 nan 0.000 0.443 379 F N -0.179 119.873 119.950 0.171 0.000 2.743 379 F HA 0.017 4.544 4.527 0.001 0.000 0.297 379 F C 2.281 178.140 175.800 0.099 0.000 1.131 379 F CA -0.138 57.931 58.000 0.116 0.000 1.426 379 F CB 0.161 39.196 39.000 0.058 0.000 1.116 379 F HN 0.100 nan 8.300 nan 0.000 0.583 380 R N -0.801 119.861 120.500 0.269 0.000 2.397 380 R HA 0.099 4.439 4.340 0.001 0.000 0.241 380 R C -0.116 176.268 176.300 0.139 0.000 0.914 380 R CA -0.248 55.955 56.100 0.172 0.000 1.071 380 R CB -0.688 29.688 30.300 0.126 0.000 1.116 380 R HN 0.129 nan 8.270 nan 0.000 0.524 381 H N 1.681 120.798 119.070 0.078 0.000 3.004 381 H HA -0.022 4.534 4.556 0.001 0.000 0.316 381 H C 0.963 176.311 175.328 0.033 0.000 1.014 381 H CA 0.377 56.445 56.048 0.034 0.000 1.454 381 H CB 1.223 30.990 29.762 0.010 0.000 1.472 381 H HN 0.154 nan 8.280 nan 0.000 0.571 382 E N 3.549 123.630 120.200 -0.199 0.000 2.169 382 E HA -0.190 4.161 4.350 0.001 0.000 0.202 382 E C 1.101 177.717 176.600 0.026 0.000 1.016 382 E CA 2.123 58.457 56.400 -0.110 0.000 0.817 382 E CB 0.015 29.583 29.700 -0.220 0.000 0.736 382 E HN 0.778 nan 8.360 nan 0.000 0.462 383 I N -1.551 119.133 120.570 0.190 0.000 3.443 383 I HA -0.032 4.139 4.170 0.001 0.000 0.277 383 I C 1.697 177.917 176.117 0.171 0.000 1.169 383 I CA 0.069 61.484 61.300 0.193 0.000 1.419 383 I CB 0.047 38.161 38.000 0.191 0.000 1.331 383 I HN -0.013 nan 8.210 nan 0.000 0.458 384 L N 1.093 122.438 121.223 0.202 0.000 2.465 384 L HA -0.078 4.262 4.340 0.001 0.000 0.224 384 L C 2.408 179.395 176.870 0.195 0.000 1.145 384 L CA 0.977 55.856 54.840 0.066 0.000 0.834 384 L CB -0.478 41.508 42.059 -0.121 0.000 0.944 384 L HN 0.315 nan 8.230 nan 0.000 0.451 385 S N -0.802 115.024 115.700 0.210 0.000 2.501 385 S HA -0.003 4.467 4.470 0.001 0.000 0.220 385 S C 1.904 176.597 174.600 0.155 0.000 0.997 385 S CA -0.182 58.151 58.200 0.221 0.000 0.919 385 S CB -0.025 63.301 63.200 0.210 0.000 0.778 385 S HN 0.411 nan 8.310 nan 0.000 0.523 386 R N 1.302 121.878 120.500 0.126 0.000 2.161 386 R HA 0.208 4.548 4.340 0.001 0.000 0.213 386 R C 0.070 176.431 176.300 0.102 0.000 1.055 386 R CA 0.510 56.666 56.100 0.093 0.000 0.996 386 R CB -0.505 29.836 30.300 0.067 0.000 0.901 386 R HN 0.378 nan 8.270 nan 0.000 0.456 387 D N 1.450 121.926 120.400 0.126 0.000 2.533 387 D HA -0.033 4.608 4.640 0.001 0.000 0.236 387 D C -1.657 174.741 176.300 0.162 0.000 1.137 387 D CA -1.113 52.977 54.000 0.150 0.000 0.867 387 D CB 1.143 42.075 40.800 0.220 0.000 1.170 387 D HN -0.112 nan 8.370 nan 0.000 0.474 388 P HA -0.040 nan 4.420 nan 0.000 0.222 388 P C 1.291 178.660 177.300 0.115 0.000 1.153 388 P CA 0.687 63.851 63.100 0.107 0.000 0.798 388 P CB 0.171 31.919 31.700 0.080 0.000 0.796 389 L N -1.575 119.734 121.223 0.143 0.000 2.083 389 L HA -0.162 4.178 4.340 0.001 0.000 0.209 389 L C 2.293 179.214 176.870 0.086 0.000 1.083 389 L CA 1.018 55.916 54.840 0.097 0.000 0.752 389 L CB -1.034 41.073 42.059 0.081 0.000 0.899 389 L HN 0.008 nan 8.230 nan 0.000 0.433 390 L N -0.184 121.148 121.223 0.182 0.000 2.044 390 L HA -0.138 4.202 4.340 0.001 0.000 0.205 390 L C 2.372 179.363 176.870 0.202 0.000 1.075 390 L CA 1.544 56.525 54.840 0.236 0.000 0.747 390 L CB -0.361 41.923 42.059 0.375 0.000 0.903 390 L HN 0.065 nan 8.230 nan 0.000 0.435 391 L N -0.426 120.890 121.223 0.156 0.000 2.013 391 L HA -0.275 4.065 4.340 0.001 0.000 0.212 391 L C 2.638 179.554 176.870 0.077 0.000 1.073 391 L CA 1.465 56.364 54.840 0.097 0.000 0.753 391 L CB -1.113 40.992 42.059 0.077 0.000 0.890 391 L HN 0.376 nan 8.230 nan 0.000 0.432 392 A N -0.619 122.247 122.820 0.078 0.000 2.076 392 A HA -0.202 4.119 4.320 0.001 0.000 0.220 392 A C 2.121 179.742 177.584 0.061 0.000 1.160 392 A CA 1.733 53.806 52.037 0.059 0.000 0.653 392 A CB -0.526 18.507 19.000 0.054 0.000 0.801 392 A HN 0.382 nan 8.150 nan 0.000 0.455 393 I N -0.934 119.688 120.570 0.087 0.000 3.860 393 I HA 0.144 4.315 4.170 0.001 0.000 0.319 393 I C 1.697 177.874 176.117 0.100 0.000 1.279 393 I CA 0.144 61.507 61.300 0.104 0.000 1.220 393 I CB -0.033 38.060 38.000 0.155 0.000 1.027 393 I HN 0.296 nan 8.210 nan 0.000 0.428 394 I N 1.425 122.039 120.570 0.073 0.000 2.252 394 I HA -0.117 4.053 4.170 0.001 0.000 0.245 394 I C -0.415 175.738 176.117 0.060 0.000 1.102 394 I CA 0.944 62.267 61.300 0.038 0.000 1.385 394 I CB -1.763 36.206 38.000 -0.052 0.000 1.064 394 I HN 0.156 nan 8.210 nan 0.000 0.414 395 P HA -0.212 nan 4.420 nan 0.000 0.215 395 P C 1.444 178.742 177.300 -0.002 0.000 1.163 395 P CA 1.707 64.818 63.100 0.019 0.000 0.894 395 P CB -0.032 31.674 31.700 0.010 0.000 0.791 396 K N -1.998 118.407 120.400 0.007 0.000 2.097 396 K HA -0.200 4.121 4.320 0.001 0.000 0.206 396 K C 2.299 178.877 176.600 -0.037 0.000 1.049 396 K CA 1.329 57.607 56.287 -0.016 0.000 0.933 396 K CB -0.715 31.792 32.500 0.012 0.000 0.717 396 K HN 0.156 nan 8.250 nan 0.000 0.442 397 Y N 1.310 121.528 120.300 -0.136 0.000 2.114 397 Y HA -0.202 4.348 4.550 0.001 0.000 0.284 397 Y C 1.759 177.548 175.900 -0.186 0.000 1.143 397 Y CA 1.468 59.425 58.100 -0.238 0.000 1.135 397 Y CB -0.159 38.086 38.460 -0.359 0.000 0.980 397 Y HN -0.079 nan 8.280 nan 0.000 0.499 398 L N -0.043 121.141 121.223 -0.066 0.000 2.141 398 L HA -0.181 4.160 4.340 0.001 0.000 0.209 398 L C 2.732 179.457 176.870 -0.242 0.000 1.094 398 L CA 1.408 56.200 54.840 -0.079 0.000 0.763 398 L CB -0.484 41.668 42.059 0.155 0.000 0.908 398 L HN 0.174 nan 8.230 nan 0.000 0.437 399 R N 0.169 120.538 120.500 -0.218 0.000 2.091 399 R HA -0.209 4.131 4.340 0.001 0.000 0.238 399 R C 2.314 178.411 176.300 -0.338 0.000 1.136 399 R CA 1.521 57.451 56.100 -0.283 0.000 0.959 399 R CB -0.228 29.948 30.300 -0.207 0.000 0.856 399 R HN 0.362 nan 8.270 nan 0.000 0.437 400 A N -0.139 122.485 122.820 -0.326 0.000 1.902 400 A HA -0.122 4.198 4.320 0.001 0.000 0.217 400 A C 2.152 179.520 177.584 -0.360 0.000 1.181 400 A CA 1.867 53.707 52.037 -0.329 0.000 0.623 400 A CB -0.511 18.287 19.000 -0.337 0.000 0.818 400 A HN 0.407 nan 8.150 nan 0.000 0.443 401 S N -0.534 114.893 115.700 -0.456 0.000 2.419 401 S HA -0.144 4.326 4.470 0.001 0.000 0.233 401 S C 1.906 176.345 174.600 -0.269 0.000 1.016 401 S CA 1.698 59.689 58.200 -0.349 0.000 0.974 401 S CB -0.382 62.629 63.200 -0.316 0.000 0.786 401 S HN 0.574 nan 8.310 nan 0.000 0.492 402 M N 0.890 120.230 119.600 -0.434 0.000 2.099 402 M HA -0.089 4.391 4.480 0.001 0.000 0.262 402 M C 2.300 178.410 176.300 -0.317 0.000 1.067 402 M CA 1.381 56.370 55.300 -0.517 0.000 1.124 402 M CB -0.827 31.193 32.600 -0.967 0.000 1.353 402 M HN 0.220 nan 8.290 nan 0.000 0.410 403 T N -0.036 114.323 114.554 -0.325 0.000 2.867 403 T HA -0.080 4.271 4.350 0.001 0.000 0.268 403 T C 1.428 176.098 174.700 -0.049 0.000 1.057 403 T CA 1.314 63.298 62.100 -0.194 0.000 1.136 403 T CB -0.495 68.253 68.868 -0.199 0.000 0.874 403 T HN 0.305 nan 8.240 nan 0.000 0.466 404 N N 0.898 119.557 118.700 -0.068 0.000 2.453 404 N HA 0.101 4.842 4.740 0.001 0.000 0.183 404 N C 1.537 177.090 175.510 0.072 0.000 1.041 404 N CA 0.444 53.496 53.050 0.003 0.000 0.900 404 N CB -0.406 38.036 38.487 -0.074 0.000 0.961 404 N HN 0.352 nan 8.380 nan 0.000 0.443 405 L N -0.093 121.178 121.223 0.081 0.000 2.240 405 L HA 0.061 4.401 4.340 0.001 0.000 0.211 405 L C -0.026 177.004 176.870 0.267 0.000 1.106 405 L CA 0.187 55.119 54.840 0.152 0.000 0.793 405 L CB 0.061 42.233 42.059 0.189 0.000 0.927 405 L HN -0.089 nan 8.230 nan 0.000 0.446 406 V N 0.904 120.969 119.914 0.251 0.000 2.446 406 V HA -0.060 4.061 4.120 0.001 0.000 0.276 406 V C 0.861 177.125 176.094 0.283 0.000 1.030 406 V CA -0.168 62.276 62.300 0.240 0.000 1.033 406 V CB 0.564 32.485 31.823 0.164 0.000 0.993 406 V HN 0.214 nan 8.190 nan 0.000 0.477 407 K N 5.569 126.109 120.400 0.234 0.000 2.989 407 K HA 0.197 4.517 4.320 0.001 0.000 0.264 407 K C -0.050 176.514 176.600 -0.060 0.000 1.228 407 K CA 0.139 56.375 56.287 -0.086 0.000 1.186 407 K CB -0.250 32.237 32.500 -0.021 0.000 1.409 407 K HN 0.666 nan 8.250 nan 0.000 0.271 408 M N -0.266 119.344 119.600 0.018 0.000 2.598 408 M HA 0.326 4.806 4.480 0.001 0.000 0.317 408 M C 0.484 176.803 176.300 0.032 0.000 1.201 408 M CA -0.324 55.019 55.300 0.072 0.000 0.971 408 M CB 2.085 34.739 32.600 0.090 0.000 1.657 408 M HN 0.506 nan 8.290 nan 0.000 0.470 409 G N 1.831 110.627 108.800 -0.007 0.000 2.327 409 G HA2 -0.142 3.818 3.960 0.001 0.000 0.159 409 G HA3 -0.142 3.818 3.960 0.001 0.000 0.159 409 G C -0.724 173.798 174.900 -0.629 0.000 1.056 409 G CA -0.798 44.219 45.100 -0.138 0.000 0.751 409 G HN 0.539 nan 8.290 nan 0.000 0.488 410 F N -0.003 119.658 119.950 -0.481 0.000 2.506 410 F HA 0.362 4.890 4.527 0.001 0.000 0.351 410 F C -0.083 175.445 175.800 -0.454 0.000 1.136 410 F CA -1.088 56.527 58.000 -0.642 0.000 1.298 410 F CB 0.958 39.793 39.000 -0.275 0.000 1.145 410 F HN -0.018 nan 8.300 nan 0.000 0.593 411 P HA -0.156 nan 4.420 nan 0.000 0.217 411 P C 1.428 178.738 177.300 0.016 0.000 1.150 411 P CA 1.884 64.948 63.100 -0.061 0.000 0.832 411 P CB -0.003 31.715 31.700 0.030 0.000 0.787 412 S N -1.361 114.374 115.700 0.058 0.000 2.406 412 S HA 0.015 4.485 4.470 0.001 0.000 0.224 412 S C 1.070 175.681 174.600 0.018 0.000 1.030 412 S CA 0.294 58.514 58.200 0.034 0.000 0.958 412 S CB -0.669 62.543 63.200 0.020 0.000 0.811 412 S HN 0.072 nan 8.310 nan 0.000 0.489 413 K N 0.089 120.508 120.400 0.033 0.000 2.318 413 K HA 0.379 4.700 4.320 0.001 0.000 0.243 413 K C 0.306 176.922 176.600 0.027 0.000 1.047 413 K CA 0.104 56.403 56.287 0.020 0.000 0.937 413 K CB 0.113 32.626 32.500 0.022 0.000 1.225 413 K HN 0.095 nan 8.250 nan 0.000 0.506 414 T N 0.128 114.699 114.554 0.028 0.000 3.399 414 T HA 0.079 4.429 4.350 0.001 0.000 0.305 414 T C -0.117 174.602 174.700 0.033 0.000 0.983 414 T CA -0.214 61.902 62.100 0.026 0.000 0.967 414 T CB -0.263 68.617 68.868 0.020 0.000 1.186 414 T HN 0.599 nan 8.240 nan 0.000 0.504 415 D N 1.032 121.458 120.400 0.043 0.000 2.194 415 D HA 0.081 4.722 4.640 0.001 0.000 0.204 415 D C 1.003 177.328 176.300 0.042 0.000 0.964 415 D CA 0.407 54.437 54.000 0.050 0.000 0.846 415 D CB 0.104 40.944 40.800 0.067 0.000 0.962 415 D HN 0.416 nan 8.370 nan 0.000 0.490 416 S N -1.630 114.091 115.700 0.036 0.000 2.595 416 S HA 0.442 4.912 4.470 0.001 0.000 0.281 416 S C -2.190 172.423 174.600 0.021 0.000 1.117 416 S CA -1.356 56.858 58.200 0.023 0.000 0.873 416 S CB 2.277 65.490 63.200 0.023 0.000 1.108 416 S HN -0.235 nan 8.310 nan 0.000 0.477 417 P HA -0.100 nan 4.420 nan 0.000 0.217 417 P C 1.264 178.597 177.300 0.055 0.000 1.148 417 P CA 1.339 64.454 63.100 0.026 0.000 0.828 417 P CB -0.314 31.372 31.700 -0.023 0.000 0.783 418 S N -0.528 115.170 115.700 -0.003 0.000 2.442 418 S HA -0.128 4.343 4.470 0.001 0.000 0.236 418 S C 2.106 176.764 174.600 0.096 0.000 1.007 418 S CA 1.233 59.434 58.200 0.002 0.000 0.965 418 S CB -1.346 61.854 63.200 -0.000 0.000 0.773 418 S HN 0.279 nan 8.310 nan 0.000 0.504 419 C N 1.613 120.948 119.300 0.057 0.000 2.425 419 C HA -0.070 4.390 4.460 0.001 0.000 0.277 419 C C 2.732 177.759 174.990 0.062 0.000 1.280 419 C CA 0.873 59.902 59.018 0.019 0.000 1.744 419 C CB -1.205 26.544 27.740 0.015 0.000 1.989 419 C HN 0.665 nan 8.230 nan 0.000 0.491 420 E N 0.907 121.169 120.200 0.103 0.000 2.021 420 E HA -0.235 4.115 4.350 0.001 0.000 0.200 420 E C 1.729 178.348 176.600 0.032 0.000 1.015 420 E CA 2.044 58.468 56.400 0.039 0.000 0.824 420 E CB -0.643 29.044 29.700 -0.023 0.000 0.762 420 E HN 0.702 nan 8.360 nan 0.000 0.454 421 Y N 0.450 120.698 120.300 -0.087 0.000 2.352 421 Y HA -0.021 4.529 4.550 0.001 0.000 0.292 421 Y C 2.639 178.557 175.900 0.030 0.000 1.136 421 Y CA 1.204 59.220 58.100 -0.140 0.000 1.227 421 Y CB -0.417 37.924 38.460 -0.198 0.000 0.991 421 Y HN 0.020 nan 8.280 nan 0.000 0.545 422 S N -0.465 115.401 115.700 0.277 0.000 2.423 422 S HA -0.130 4.341 4.470 0.001 0.000 0.231 422 S C 2.045 176.818 174.600 0.288 0.000 1.014 422 S CA 0.764 59.178 58.200 0.357 0.000 0.965 422 S CB -0.134 63.110 63.200 0.075 0.000 0.785 422 S HN 0.419 nan 8.310 nan 0.000 0.495 423 R N 0.001 120.588 120.500 0.145 0.000 2.066 423 R HA -0.007 4.334 4.340 0.001 0.000 0.232 423 R C 1.969 178.307 176.300 0.064 0.000 1.131 423 R CA 1.331 57.487 56.100 0.093 0.000 0.955 423 R CB -0.453 29.880 30.300 0.054 0.000 0.851 423 R HN 0.380 nan 8.270 nan 0.000 0.432 424 F N 1.547 121.443 119.950 -0.089 0.000 2.184 424 F HA -0.289 4.239 4.527 0.001 0.000 0.301 424 F C 1.621 177.319 175.800 -0.171 0.000 1.076 424 F CA 1.775 59.701 58.000 -0.124 0.000 1.295 424 F CB 0.141 39.028 39.000 -0.189 0.000 1.026 424 F HN 0.063 nan 8.300 nan 0.000 0.494 425 D N -2.060 118.253 120.400 -0.145 0.000 2.422 425 D HA 0.091 4.732 4.640 0.001 0.000 0.218 425 D C -0.394 175.373 176.300 -0.889 0.000 1.047 425 D CA 0.537 54.162 54.000 -0.624 0.000 0.885 425 D CB 0.438 40.651 40.800 -0.977 0.000 1.035 425 D HN 0.105 nan 8.370 nan 0.000 0.502 426 F N 0.737 120.710 119.950 0.037 0.000 2.561 426 F HA 0.235 4.763 4.527 0.001 0.000 0.313 426 F C 0.970 176.799 175.800 0.048 0.000 1.126 426 F CA -1.111 56.925 58.000 0.061 0.000 0.918 426 F CB 1.798 40.889 39.000 0.151 0.000 1.199 426 F HN -0.408 nan 8.300 nan 0.000 0.444 427 D N 0.839 121.358 120.400 0.197 0.000 2.120 427 D HA -0.113 4.528 4.640 0.001 0.000 0.191 427 D C 0.972 177.357 176.300 0.141 0.000 0.994 427 D CA 1.838 55.911 54.000 0.122 0.000 0.838 427 D CB -0.202 40.660 40.800 0.103 0.000 0.976 427 D HN 0.489 nan 8.370 nan 0.000 0.447 428 S N -0.434 115.370 115.700 0.174 0.000 2.759 428 S HA 0.300 4.771 4.470 0.001 0.000 0.310 428 S C 0.360 175.088 174.600 0.213 0.000 1.123 428 S CA -0.834 57.462 58.200 0.160 0.000 0.959 428 S CB 1.712 64.991 63.200 0.132 0.000 1.172 428 S HN -0.162 nan 8.310 nan 0.000 0.539 429 D N 0.775 121.305 120.400 0.217 0.000 2.218 429 D HA -0.023 4.617 4.640 0.001 0.000 0.204 429 D C 1.497 177.977 176.300 0.300 0.000 0.976 429 D CA 1.231 55.428 54.000 0.329 0.000 0.853 429 D CB -0.322 40.731 40.800 0.422 0.000 0.939 429 D HN 0.643 nan 8.370 nan 0.000 0.481 430 E N 0.605 120.930 120.200 0.209 0.000 2.077 430 E HA -0.117 4.234 4.350 0.001 0.000 0.193 430 E C 1.569 178.263 176.600 0.156 0.000 0.989 430 E CA 0.934 57.431 56.400 0.163 0.000 0.800 430 E CB -0.083 29.692 29.700 0.124 0.000 0.746 430 E HN 0.264 nan 8.360 nan 0.000 0.452 431 D N -0.464 120.046 120.400 0.184 0.000 2.178 431 D HA -0.126 4.515 4.640 0.001 0.000 0.202 431 D C 1.670 178.035 176.300 0.108 0.000 0.974 431 D CA 0.593 54.717 54.000 0.207 0.000 0.841 431 D CB -0.106 40.865 40.800 0.286 0.000 0.953 431 D HN 0.129 nan 8.370 nan 0.000 0.478 432 F N 2.142 122.008 119.950 -0.140 0.000 2.098 432 F HA -0.099 4.428 4.527 0.001 0.000 0.294 432 F C 2.026 177.681 175.800 -0.241 0.000 1.107 432 F CA 1.131 58.842 58.000 -0.481 0.000 1.234 432 F CB -0.413 38.335 39.000 -0.420 0.000 1.002 432 F HN -0.167 nan 8.300 nan 0.000 0.472 433 N N 0.654 119.266 118.700 -0.148 0.000 2.021 433 N HA -0.295 4.445 4.740 0.001 0.000 0.198 433 N C 1.995 177.465 175.510 -0.068 0.000 1.041 433 N CA 1.902 54.875 53.050 -0.129 0.000 0.862 433 N CB -0.617 37.922 38.487 0.086 0.000 1.048 433 N HN 0.422 nan 8.380 nan 0.000 0.427 434 A N 0.612 123.438 122.820 0.010 0.000 1.948 434 A HA -0.197 4.123 4.320 0.001 0.000 0.220 434 A C 2.054 179.655 177.584 0.029 0.000 1.177 434 A CA 1.304 53.365 52.037 0.041 0.000 0.636 434 A CB -0.925 18.128 19.000 0.089 0.000 0.815 434 A HN 0.431 nan 8.150 nan 0.000 0.449 435 F N -1.152 118.707 119.950 -0.153 0.000 2.128 435 F HA -0.040 4.488 4.527 0.001 0.000 0.295 435 F C 1.917 177.602 175.800 -0.192 0.000 1.100 435 F CA 1.658 59.578 58.000 -0.134 0.000 1.260 435 F CB -0.418 38.474 39.000 -0.181 0.000 1.009 435 F HN 0.266 nan 8.300 nan 0.000 0.476 436 F N 1.662 121.398 119.950 -0.357 0.000 2.043 436 F HA -0.317 4.211 4.527 0.001 0.000 0.297 436 F C 2.334 177.963 175.800 -0.286 0.000 1.121 436 F CA 2.294 60.035 58.000 -0.433 0.000 1.199 436 F CB -0.894 37.662 39.000 -0.740 0.000 0.968 436 F HN -0.052 nan 8.300 nan 0.000 0.478 437 N N 0.234 118.893 118.700 -0.068 0.000 2.069 437 N HA -0.195 4.545 4.740 0.001 0.000 0.191 437 N C 2.161 177.562 175.510 -0.181 0.000 1.031 437 N CA 1.938 54.935 53.050 -0.089 0.000 0.852 437 N CB -1.049 37.453 38.487 0.026 0.000 1.018 437 N HN 0.465 nan 8.380 nan 0.000 0.423 438 S N -0.344 115.246 115.700 -0.183 0.000 2.399 438 S HA -0.056 4.415 4.470 0.001 0.000 0.231 438 S C 2.139 176.569 174.600 -0.283 0.000 1.022 438 S CA 1.338 59.423 58.200 -0.191 0.000 0.983 438 S CB -0.482 62.625 63.200 -0.154 0.000 0.803 438 S HN 0.237 nan 8.310 nan 0.000 0.480 439 S N 1.685 117.118 115.700 -0.445 0.000 2.368 439 S HA -0.081 4.390 4.470 0.001 0.000 0.225 439 S C 2.102 176.498 174.600 -0.340 0.000 1.030 439 S CA 1.349 59.268 58.200 -0.468 0.000 0.999 439 S CB -0.433 62.402 63.200 -0.607 0.000 0.844 439 S HN 0.664 nan 8.310 nan 0.000 0.459 440 R N 0.372 120.632 120.500 -0.399 0.000 2.115 440 R HA 0.100 4.440 4.340 0.001 0.000 0.226 440 R C 2.348 178.553 176.300 -0.159 0.000 1.100 440 R CA 1.098 57.010 56.100 -0.314 0.000 0.980 440 R CB -0.546 29.500 30.300 -0.423 0.000 0.875 440 R HN 0.437 nan 8.270 nan 0.000 0.445 441 A N 0.913 123.650 122.820 -0.138 0.000 1.873 441 A HA -0.302 4.018 4.320 0.001 0.000 0.218 441 A C 2.081 179.634 177.584 -0.051 0.000 1.193 441 A CA 1.858 53.850 52.037 -0.074 0.000 0.629 441 A CB -0.827 18.134 19.000 -0.065 0.000 0.826 441 A HN 0.574 nan 8.150 nan 0.000 0.447 442 Q N -0.775 118.984 119.800 -0.068 0.000 2.119 442 Q HA -0.275 4.066 4.340 0.001 0.000 0.201 442 Q C 2.169 178.175 176.000 0.010 0.000 0.972 442 Q CA 1.989 57.776 55.803 -0.027 0.000 0.847 442 Q CB -0.254 28.456 28.738 -0.048 0.000 0.903 442 Q HN 0.702 nan 8.270 nan 0.000 0.433 443 Q N 0.430 120.217 119.800 -0.022 0.000 2.135 443 Q HA -0.100 4.240 4.340 0.001 0.000 0.204 443 Q C 1.870 177.904 176.000 0.057 0.000 0.981 443 Q CA 2.225 58.041 55.803 0.022 0.000 0.856 443 Q CB -0.946 27.759 28.738 -0.056 0.000 0.902 443 Q HN 0.463 nan 8.270 nan 0.000 0.425 444 G N 0.637 109.451 108.800 0.022 0.000 2.586 444 G HA2 -0.348 3.612 3.960 0.001 0.000 0.218 444 G HA3 -0.348 3.612 3.960 0.001 0.000 0.218 444 G C 1.175 176.111 174.900 0.060 0.000 1.216 444 G CA 1.025 46.147 45.100 0.037 0.000 0.786 444 G HN 0.588 nan 8.290 nan 0.000 0.583 445 E N -0.108 120.127 120.200 0.057 0.000 2.160 445 E HA -0.105 4.245 4.350 0.001 0.000 0.195 445 E C 2.666 179.332 176.600 0.109 0.000 0.991 445 E CA 1.068 57.510 56.400 0.070 0.000 0.810 445 E CB -0.128 29.610 29.700 0.063 0.000 0.742 445 E HN 0.369 nan 8.360 nan 0.000 0.466 446 V N 1.078 121.085 119.914 0.154 0.000 2.488 446 V HA -0.195 3.925 4.120 0.001 0.000 0.246 446 V C 2.263 178.499 176.094 0.238 0.000 1.046 446 V CA 1.413 63.861 62.300 0.246 0.000 1.053 446 V CB -0.311 31.704 31.823 0.321 0.000 0.679 446 V HN 0.294 nan 8.190 nan 0.000 0.458 447 M N 0.002 119.729 119.600 0.213 0.000 2.159 447 M HA -0.154 4.326 4.480 0.001 0.000 0.263 447 M C 2.482 178.820 176.300 0.063 0.000 1.063 447 M CA 1.693 57.111 55.300 0.197 0.000 1.110 447 M CB -0.203 32.509 32.600 0.188 0.000 1.374 447 M HN 0.190 nan 8.290 nan 0.000 0.411 448 R N 0.530 121.054 120.500 0.040 0.000 2.083 448 R HA -0.124 4.216 4.340 0.001 0.000 0.237 448 R C 2.129 178.411 176.300 -0.030 0.000 1.137 448 R CA 1.453 57.552 56.100 -0.002 0.000 0.951 448 R CB -1.376 28.932 30.300 0.014 0.000 0.851 448 R HN 0.450 nan 8.270 nan 0.000 0.434 449 L N 0.690 121.906 121.223 -0.013 0.000 2.265 449 L HA -0.131 4.210 4.340 0.001 0.000 0.215 449 L C 2.568 179.288 176.870 -0.249 0.000 1.117 449 L CA 1.040 55.853 54.840 -0.046 0.000 0.782 449 L CB -0.403 41.705 42.059 0.082 0.000 0.914 449 L HN 0.214 nan 8.230 nan 0.000 0.441 450 A N -1.127 121.473 122.820 -0.367 0.000 1.878 450 A HA -0.144 4.176 4.320 0.001 0.000 0.213 450 A C 2.354 179.766 177.584 -0.287 0.000 1.192 450 A CA 1.186 52.850 52.037 -0.621 0.000 0.619 450 A CB -0.921 17.786 19.000 -0.489 0.000 0.837 450 A HN 0.488 nan 8.150 nan 0.000 0.446 451 C N -0.606 118.607 119.300 -0.145 0.000 2.429 451 C HA -0.061 4.399 4.460 0.001 0.000 0.277 451 C C 2.714 177.656 174.990 -0.080 0.000 1.262 451 C CA 1.075 60.040 59.018 -0.088 0.000 1.733 451 C CB -1.353 26.341 27.740 -0.076 0.000 2.010 451 C HN 0.675 nan 8.230 nan 0.000 0.483 452 R N 0.703 121.154 120.500 -0.081 0.000 2.159 452 R HA -0.100 4.240 4.340 0.001 0.000 0.237 452 R C 1.814 178.079 176.300 -0.057 0.000 1.131 452 R CA 1.309 57.376 56.100 -0.054 0.000 0.982 452 R CB -0.209 30.068 30.300 -0.037 0.000 0.868 452 R HN 0.550 nan 8.270 nan 0.000 0.453 453 L N -0.700 120.466 121.223 -0.094 0.000 2.375 453 L HA 0.059 4.399 4.340 0.001 0.000 0.215 453 L C 0.389 177.229 176.870 -0.050 0.000 1.108 453 L CA 0.376 55.174 54.840 -0.070 0.000 0.830 453 L CB 0.245 42.244 42.059 -0.100 0.000 0.959 453 L HN 0.070 nan 8.230 nan 0.000 0.457 454 D N -0.943 119.422 120.400 -0.058 0.000 2.517 454 D HA 0.177 4.817 4.640 0.001 0.000 0.263 454 D C -2.107 174.187 176.300 -0.010 0.000 1.233 454 D CA -1.476 52.508 54.000 -0.027 0.000 0.849 454 D CB 1.295 42.081 40.800 -0.023 0.000 1.261 454 D HN -0.117 nan 8.370 nan 0.000 0.516 455 P HA 0.007 nan 4.420 nan 0.000 0.220 455 P C 1.256 178.584 177.300 0.046 0.000 1.152 455 P CA 0.653 63.752 63.100 -0.003 0.000 0.812 455 P CB 0.802 32.479 31.700 -0.038 0.000 0.792 456 K N -0.458 119.967 120.400 0.042 0.000 1.985 456 K HA -0.078 4.242 4.320 0.001 0.000 0.210 456 K C 2.061 178.734 176.600 0.122 0.000 1.047 456 K CA 2.049 58.386 56.287 0.084 0.000 0.932 456 K CB -1.422 31.107 32.500 0.047 0.000 0.716 456 K HN 0.032 nan 8.250 nan 0.000 0.439 457 T N 0.588 115.187 114.554 0.074 0.000 2.665 457 T HA -0.222 4.128 4.350 0.001 0.000 0.268 457 T C 2.025 176.782 174.700 0.095 0.000 1.035 457 T CA 1.952 64.093 62.100 0.067 0.000 1.151 457 T CB -0.689 68.206 68.868 0.045 0.000 0.862 457 T HN 0.402 nan 8.240 nan 0.000 0.438 458 S N 1.764 117.526 115.700 0.102 0.000 2.370 458 S HA -0.150 4.320 4.470 0.001 0.000 0.226 458 S C 1.814 176.493 174.600 0.131 0.000 1.033 458 S CA 1.120 59.390 58.200 0.116 0.000 1.011 458 S CB -1.008 62.213 63.200 0.035 0.000 0.852 458 S HN 0.449 nan 8.310 nan 0.000 0.457 459 F N 2.395 122.350 119.950 0.009 0.000 2.075 459 F HA -0.048 4.479 4.527 0.001 0.000 0.297 459 F C 2.785 178.617 175.800 0.053 0.000 1.113 459 F CA 1.837 59.852 58.000 0.024 0.000 1.218 459 F CB -0.921 38.091 39.000 0.020 0.000 0.984 459 F HN 0.229 nan 8.300 nan 0.000 0.472 460 Q N -0.098 119.645 119.800 -0.095 0.000 2.096 460 Q HA -0.278 4.062 4.340 0.001 0.000 0.208 460 Q C 2.196 178.125 176.000 -0.117 0.000 0.993 460 Q CA 2.755 58.458 55.803 -0.167 0.000 0.862 460 Q CB -0.208 28.515 28.738 -0.026 0.000 0.915 460 Q HN 0.530 nan 8.270 nan 0.000 0.416 461 M N -0.937 118.668 119.600 0.008 0.000 2.254 461 M HA -0.056 4.425 4.480 0.001 0.000 0.265 461 M C 2.235 178.665 176.300 0.216 0.000 1.066 461 M CA 1.120 56.466 55.300 0.076 0.000 1.123 461 M CB -0.141 32.525 32.600 0.111 0.000 1.388 461 M HN 0.226 nan 8.290 nan 0.000 0.425 462 A N 1.070 124.057 122.820 0.278 0.000 1.930 462 A HA 0.034 4.354 4.320 0.001 0.000 0.217 462 A C 2.382 179.997 177.584 0.051 0.000 1.175 462 A CA 1.726 53.952 52.037 0.315 0.000 0.627 462 A CB -1.448 17.610 19.000 0.097 0.000 0.815 462 A HN 0.513 nan 8.150 nan 0.000 0.443 463 G N -0.172 108.503 108.800 -0.207 0.000 2.514 463 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 463 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 463 G C 1.382 176.217 174.900 -0.109 0.000 1.198 463 G CA 1.060 45.978 45.100 -0.304 0.000 0.780 463 G HN 0.470 nan 8.290 nan 0.000 0.565 464 E N -0.397 119.770 120.200 -0.056 0.000 2.150 464 E HA -0.105 4.246 4.350 0.001 0.000 0.193 464 E C 2.076 178.743 176.600 0.112 0.000 0.985 464 E CA 0.563 56.964 56.400 0.002 0.000 0.814 464 E CB -0.325 29.357 29.700 -0.031 0.000 0.752 464 E HN 0.626 nan 8.360 nan 0.000 0.466 465 W N 1.762 123.001 121.300 -0.101 0.000 2.402 465 W HA -0.049 4.611 4.660 0.001 0.000 0.286 465 W C 1.925 178.365 176.519 -0.130 0.000 1.221 465 W CA 0.578 57.858 57.345 -0.109 0.000 1.257 465 W CB -0.699 28.679 29.460 -0.136 0.000 1.120 465 W HN 0.025 nan 8.180 nan 0.000 0.551 466 L N 0.792 122.017 121.223 0.002 0.000 1.988 466 L HA -0.261 4.079 4.340 0.001 0.000 0.207 466 L C 2.473 179.274 176.870 -0.115 0.000 1.071 466 L CA 1.953 56.686 54.840 -0.177 0.000 0.744 466 L CB -0.653 41.319 42.059 -0.145 0.000 0.893 466 L HN -0.146 nan 8.230 nan 0.000 0.433 467 K N -1.047 119.334 120.400 -0.031 0.000 2.089 467 K HA -0.306 4.015 4.320 0.001 0.000 0.210 467 K C 1.974 178.592 176.600 0.030 0.000 1.048 467 K CA 2.310 58.596 56.287 -0.001 0.000 0.926 467 K CB -0.528 31.980 32.500 0.012 0.000 0.714 467 K HN 0.294 nan 8.250 nan 0.000 0.448 468 Y N 1.768 122.052 120.300 -0.027 0.000 2.114 468 Y HA -0.254 4.296 4.550 0.001 0.000 0.284 468 Y C 2.365 178.245 175.900 -0.034 0.000 1.143 468 Y CA 1.521 59.620 58.100 -0.001 0.000 1.135 468 Y CB -0.044 38.438 38.460 0.038 0.000 0.980 468 Y HN 0.046 nan 8.280 nan 0.000 0.499 469 Q N 0.336 120.048 119.800 -0.146 0.000 2.170 469 Q HA -0.160 4.181 4.340 0.001 0.000 0.203 469 Q C 2.390 178.257 176.000 -0.222 0.000 0.976 469 Q CA 1.579 57.111 55.803 -0.450 0.000 0.858 469 Q CB -0.550 27.453 28.738 -1.225 0.000 0.907 469 Q HN 0.582 nan 8.270 nan 0.000 0.433 470 L N 0.724 121.861 121.223 -0.143 0.000 2.265 470 L HA -0.119 4.222 4.340 0.001 0.000 0.215 470 L C 0.973 177.956 176.870 0.188 0.000 1.117 470 L CA 1.080 55.956 54.840 0.060 0.000 0.782 470 L CB -0.103 41.964 42.059 0.013 0.000 0.914 470 L HN 0.088 nan 8.230 nan 0.000 0.441 471 S N -1.844 113.879 115.700 0.039 0.000 2.272 471 S HA 0.465 4.935 4.470 0.001 0.000 0.207 471 S C -0.140 174.433 174.600 -0.046 0.000 1.336 471 S CA -0.708 57.517 58.200 0.041 0.000 1.259 471 S CB 0.566 63.774 63.200 0.013 0.000 1.130 471 S HN 0.065 nan 8.310 nan 0.000 0.444 472 T N 0.747 115.313 114.554 0.020 0.000 2.787 472 T HA 0.676 5.027 4.350 0.001 0.000 0.297 472 T C -0.522 174.314 174.700 0.226 0.000 1.221 472 T CA -0.802 61.311 62.100 0.022 0.000 1.006 472 T CB 0.620 69.395 68.868 -0.156 0.000 1.328 472 T HN 0.456 nan 8.240 nan 0.000 0.509 492 L N 2.072 123.304 121.223 0.015 0.000 2.928 492 L HA 0.290 4.630 4.340 0.001 0.000 0.246 492 L C 1.811 178.697 176.870 0.027 0.000 1.239 492 L CA -0.003 54.852 54.840 0.024 0.000 1.035 492 L CB -0.122 41.950 42.059 0.022 0.000 1.360 492 L HN 0.736 nan 8.230 nan 0.000 0.529 493 C N -3.334 115.976 119.300 0.018 0.000 3.593 493 C HA 0.346 4.807 4.460 0.001 0.000 0.284 493 C C 1.164 176.172 174.990 0.030 0.000 1.414 493 C CA -0.176 58.853 59.018 0.019 0.000 1.674 493 C CB 0.405 28.144 27.740 -0.001 0.000 2.104 493 C HN 0.365 nan 8.230 nan 0.000 0.604 494 S N -1.829 113.865 115.700 -0.009 0.000 2.556 494 S HA 0.736 5.206 4.470 0.001 0.000 0.271 494 S C -0.499 174.026 174.600 -0.126 0.000 1.135 494 S CA 0.001 58.178 58.200 -0.038 0.000 0.858 494 S CB 1.926 65.099 63.200 -0.045 0.000 1.114 494 S HN 0.508 nan 8.310 nan 0.000 0.468 495 V N 1.918 121.725 119.914 -0.179 0.000 5.773 495 V HA 0.468 4.588 4.120 0.001 0.000 0.097 495 V C -0.839 174.907 176.094 -0.580 0.000 1.006 495 V CA -0.021 62.129 62.300 -0.251 0.000 1.103 495 V CB 0.094 31.930 31.823 0.021 0.000 1.712 495 V HN 0.840 nan 8.190 nan 0.000 0.617 496 F N 0.825 120.715 119.950 -0.100 0.000 2.837 496 F HA 0.448 4.976 4.527 0.001 0.000 0.328 496 F C 0.957 176.811 175.800 0.089 0.000 1.173 496 F CA -0.270 57.737 58.000 0.011 0.000 1.160 496 F CB 0.643 39.637 39.000 -0.008 0.000 1.115 496 F HN -0.033 nan 8.300 nan 0.000 0.512 497 S N 3.106 118.883 115.700 0.128 0.000 2.537 497 S HA -0.072 4.399 4.470 0.001 0.000 0.280 497 S C -1.088 173.525 174.600 0.023 0.000 1.335 497 S CA -0.456 57.779 58.200 0.058 0.000 1.025 497 S CB 0.281 63.469 63.200 -0.020 0.000 0.836 497 S HN 0.140 nan 8.310 nan 0.000 0.523 498 P HA -0.141 nan 4.420 nan 0.000 0.218 498 P C 1.468 178.674 177.300 -0.156 0.000 1.146 498 P CA 1.442 64.502 63.100 -0.067 0.000 0.813 498 P CB -0.235 31.439 31.700 -0.044 0.000 0.778 499 S N -0.358 115.088 115.700 -0.423 0.000 2.345 499 S HA -0.184 4.286 4.470 0.001 0.000 0.220 499 S C 1.976 176.627 174.600 0.085 0.000 1.031 499 S CA 0.744 58.786 58.200 -0.262 0.000 0.996 499 S CB -1.859 61.036 63.200 -0.509 0.000 0.882 499 S HN 0.063 nan 8.310 nan 0.000 0.445 500 F N 3.059 122.965 119.950 -0.073 0.000 2.126 500 F HA -0.069 4.458 4.527 0.001 0.000 0.299 500 F C 2.141 177.968 175.800 0.045 0.000 1.096 500 F CA 1.458 59.435 58.000 -0.038 0.000 1.255 500 F CB -0.674 38.200 39.000 -0.209 0.000 0.997 500 F HN 0.084 nan 8.300 nan 0.000 0.479 501 V N 0.194 120.016 119.914 -0.153 0.000 2.407 501 V HA -0.302 3.818 4.120 0.001 0.000 0.248 501 V C 2.355 178.399 176.094 -0.083 0.000 1.055 501 V CA 2.132 64.360 62.300 -0.120 0.000 1.049 501 V CB -0.828 31.072 31.823 0.129 0.000 0.662 501 V HN 0.372 nan 8.190 nan 0.000 0.455 502 Q N -1.239 118.555 119.800 -0.010 0.000 2.119 502 Q HA -0.173 4.167 4.340 0.001 0.000 0.201 502 Q C 1.881 177.810 176.000 -0.120 0.000 0.972 502 Q CA 1.902 57.733 55.803 0.046 0.000 0.847 502 Q CB -0.272 28.526 28.738 0.100 0.000 0.903 502 Q HN 0.720 nan 8.270 nan 0.000 0.433 503 W N 0.572 121.715 121.300 -0.261 0.000 2.409 503 W HA -0.042 4.618 4.660 0.001 0.000 0.299 503 W C 2.158 178.431 176.519 -0.409 0.000 1.203 503 W CA 1.398 58.543 57.345 -0.333 0.000 1.298 503 W CB -0.048 29.251 29.460 -0.269 0.000 1.127 503 W HN 0.271 nan 8.180 nan 0.000 0.528 504 E N 0.030 120.054 120.200 -0.293 0.000 2.150 504 E HA -0.194 4.156 4.350 0.001 0.000 0.193 504 E C 2.156 178.637 176.600 -0.199 0.000 0.985 504 E CA 1.342 57.565 56.400 -0.295 0.000 0.814 504 E CB -0.154 29.255 29.700 -0.485 0.000 0.752 504 E HN 0.183 nan 8.360 nan 0.000 0.466 505 A N 1.277 123.983 122.820 -0.190 0.000 1.929 505 A HA -0.123 4.198 4.320 0.001 0.000 0.216 505 A C 2.155 179.464 177.584 -0.459 0.000 1.176 505 A CA 1.176 53.145 52.037 -0.115 0.000 0.628 505 A CB -0.424 18.648 19.000 0.120 0.000 0.816 505 A HN 0.348 nan 8.150 nan 0.000 0.444 506 M N 0.149 119.173 119.600 -0.960 0.000 2.077 506 M HA -0.118 4.362 4.480 0.001 0.000 0.261 506 M C 2.022 177.898 176.300 -0.707 0.000 1.070 506 M CA 2.489 56.788 55.300 -1.668 0.000 1.125 506 M CB -1.464 29.947 32.600 -1.981 0.000 1.339 506 M HN 0.431 nan 8.290 nan 0.000 0.409 507 T N 2.145 116.451 114.554 -0.414 0.000 2.570 507 T HA -0.231 4.119 4.350 0.001 0.000 0.266 507 T C 1.813 176.454 174.700 -0.099 0.000 1.071 507 T CA 2.050 64.049 62.100 -0.167 0.000 1.172 507 T CB -0.762 68.072 68.868 -0.056 0.000 0.864 507 T HN 0.353 nan 8.240 nan 0.000 0.421 508 L N 0.219 121.395 121.223 -0.077 0.000 2.103 508 L HA -0.119 4.221 4.340 0.001 0.000 0.215 508 L C 2.049 178.949 176.870 0.050 0.000 1.080 508 L CA 1.715 56.550 54.840 -0.007 0.000 0.764 508 L CB -0.776 41.288 42.059 0.009 0.000 0.890 508 L HN 0.280 nan 8.230 nan 0.000 0.435 509 F N -1.146 118.737 119.950 -0.111 0.000 2.128 509 F HA -0.185 4.342 4.527 0.001 0.000 0.295 509 F C 2.202 177.998 175.800 -0.008 0.000 1.100 509 F CA 1.691 59.678 58.000 -0.022 0.000 1.260 509 F CB -0.446 38.591 39.000 0.062 0.000 1.009 509 F HN 0.122 nan 8.300 nan 0.000 0.476 510 L N 0.849 122.058 121.223 -0.023 0.000 1.970 510 L HA -0.214 4.127 4.340 0.001 0.000 0.212 510 L C 2.449 179.288 176.870 -0.053 0.000 1.071 510 L CA 2.507 57.306 54.840 -0.067 0.000 0.751 510 L CB -1.218 40.827 42.059 -0.024 0.000 0.889 510 L HN 0.380 nan 8.230 nan 0.000 0.432 511 E N -1.010 119.178 120.200 -0.019 0.000 2.070 511 E HA -0.300 4.050 4.350 0.001 0.000 0.197 511 E C 2.263 178.853 176.600 -0.017 0.000 1.004 511 E CA 1.612 58.015 56.400 0.006 0.000 0.805 511 E CB -0.315 29.394 29.700 0.016 0.000 0.744 511 E HN 0.594 nan 8.360 nan 0.000 0.451 512 S N -0.689 114.980 115.700 -0.051 0.000 2.374 512 S HA -0.152 4.318 4.470 0.001 0.000 0.227 512 S C 1.965 176.499 174.600 -0.110 0.000 1.037 512 S CA 1.416 59.573 58.200 -0.071 0.000 1.024 512 S CB -0.193 62.960 63.200 -0.079 0.000 0.861 512 S HN 0.267 nan 8.310 nan 0.000 0.456 513 V N 2.397 122.188 119.914 -0.206 0.000 2.379 513 V HA -0.103 4.018 4.120 0.001 0.000 0.245 513 V C 2.315 178.417 176.094 0.013 0.000 1.044 513 V CA 1.262 63.454 62.300 -0.180 0.000 1.036 513 V CB -0.556 31.077 31.823 -0.318 0.000 0.664 513 V HN 0.481 nan 8.190 nan 0.000 0.453 514 I N 0.577 121.203 120.570 0.092 0.000 2.202 514 I HA -0.175 3.996 4.170 0.001 0.000 0.242 514 I C 2.538 178.779 176.117 0.205 0.000 1.091 514 I CA 1.892 63.321 61.300 0.214 0.000 1.368 514 I CB -1.920 36.224 38.000 0.239 0.000 1.058 514 I HN 0.329 nan 8.210 nan 0.000 0.410 515 T N 0.418 115.029 114.554 0.096 0.000 2.788 515 T HA -0.216 4.134 4.350 0.001 0.000 0.268 515 T C 1.856 176.606 174.700 0.083 0.000 1.044 515 T CA 1.367 63.511 62.100 0.073 0.000 1.139 515 T CB -0.223 68.661 68.868 0.027 0.000 0.867 515 T HN 0.193 nan 8.240 nan 0.000 0.454 516 Q N 0.848 120.677 119.800 0.048 0.000 2.119 516 Q HA 0.089 4.430 4.340 0.001 0.000 0.201 516 Q C 2.140 178.157 176.000 0.028 0.000 0.972 516 Q CA 1.329 57.146 55.803 0.024 0.000 0.847 516 Q CB -0.413 28.317 28.738 -0.012 0.000 0.903 516 Q HN 0.536 nan 8.270 nan 0.000 0.433 517 M N -1.322 118.302 119.600 0.040 0.000 2.175 517 M HA -0.047 4.433 4.480 0.001 0.000 0.264 517 M C 0.281 176.509 176.300 -0.120 0.000 1.063 517 M CA 1.136 56.403 55.300 -0.054 0.000 1.119 517 M CB 0.093 32.630 32.600 -0.106 0.000 1.377 517 M HN 0.195 nan 8.290 nan 0.000 0.415 518 F N 0.345 120.244 119.950 -0.085 0.000 2.703 518 F HA 0.100 4.627 4.527 0.001 0.000 0.299 518 F C 1.673 177.443 175.800 -0.049 0.000 1.229 518 F CA 0.518 58.469 58.000 -0.082 0.000 1.430 518 F CB -0.164 38.774 39.000 -0.103 0.000 1.053 518 F HN 0.128 nan 8.300 nan 0.000 0.513 519 R N -1.948 118.590 120.500 0.063 0.000 2.492 519 R HA 0.075 4.415 4.340 0.001 0.000 0.219 519 R C 1.838 178.138 176.300 0.000 0.000 0.886 519 R CA 1.084 57.207 56.100 0.037 0.000 1.003 519 R CB 0.111 30.432 30.300 0.034 0.000 1.345 519 R HN 0.259 nan 8.270 nan 0.000 0.631 520 T N -0.349 114.190 114.554 -0.025 0.000 2.988 520 T HA 0.248 4.598 4.350 0.001 0.000 0.240 520 T C 1.082 175.748 174.700 -0.056 0.000 1.014 520 T CA -0.034 62.045 62.100 -0.035 0.000 1.155 520 T CB -0.030 68.817 68.868 -0.035 0.000 0.872 520 T HN -0.087 nan 8.240 nan 0.000 0.440 521 L N 3.171 124.335 121.223 -0.098 0.000 2.455 521 L HA 0.206 4.546 4.340 0.001 0.000 0.272 521 L C 0.457 177.261 176.870 -0.110 0.000 1.174 521 L CA -0.501 54.267 54.840 -0.122 0.000 0.869 521 L CB 0.228 42.166 42.059 -0.201 0.000 1.130 521 L HN 0.335 nan 8.230 nan 0.000 0.474 522 N N 3.462 122.119 118.700 -0.072 0.000 2.307 522 N HA -0.046 4.695 4.740 0.001 0.000 0.230 522 N C 1.034 176.517 175.510 -0.045 0.000 1.297 522 N CA -0.176 52.847 53.050 -0.045 0.000 0.884 522 N CB 0.452 38.924 38.487 -0.026 0.000 1.115 522 N HN 0.482 nan 8.380 nan 0.000 0.436 523 R N 1.180 121.678 120.500 -0.002 0.000 2.350 523 R HA -0.203 4.137 4.340 0.001 0.000 0.246 523 R C 0.467 176.806 176.300 0.064 0.000 1.182 523 R CA 1.547 57.673 56.100 0.044 0.000 1.030 523 R CB -0.019 30.311 30.300 0.050 0.000 0.861 523 R HN 0.603 nan 8.270 nan 0.000 0.483 524 E N -1.045 119.158 120.200 0.005 0.000 2.508 524 E HA 0.022 4.372 4.350 0.001 0.000 0.217 524 E C 0.718 177.280 176.600 -0.063 0.000 0.896 524 E CA 0.063 56.456 56.400 -0.010 0.000 1.118 524 E CB 0.533 30.232 29.700 -0.001 0.000 1.133 524 E HN 0.118 nan 8.360 nan 0.000 0.526 525 E N 0.499 120.646 120.200 -0.088 0.000 2.511 525 E HA 0.040 4.390 4.350 0.001 0.000 0.196 525 E C -0.104 176.396 176.600 -0.167 0.000 1.066 525 E CA 0.158 56.492 56.400 -0.109 0.000 0.871 525 E CB 0.150 29.792 29.700 -0.097 0.000 0.863 525 E HN 0.190 nan 8.360 nan 0.000 0.520 526 I N 3.154 123.598 120.570 -0.209 0.000 2.452 526 I HA 0.050 4.220 4.170 0.001 0.000 0.287 526 I C -1.787 174.190 176.117 -0.234 0.000 1.079 526 I CA -1.902 59.227 61.300 -0.285 0.000 1.387 526 I CB 0.184 37.975 38.000 -0.348 0.000 1.404 526 I HN -0.150 nan 8.210 nan 0.000 0.522 527 P HA -0.037 nan 4.420 nan 0.000 0.196 527 P C 1.204 178.357 177.300 -0.244 0.000 1.360 527 P CA 0.245 63.231 63.100 -0.190 0.000 1.128 527 P CB -0.015 31.571 31.700 -0.190 0.000 1.750 528 V N 1.892 121.659 119.914 -0.245 0.000 2.295 528 V HA -0.283 3.837 4.120 0.001 0.000 0.246 528 V C 2.184 178.090 176.094 -0.314 0.000 1.049 528 V CA 2.151 64.275 62.300 -0.293 0.000 1.024 528 V CB -0.968 30.593 31.823 -0.436 0.000 0.648 528 V HN 0.306 nan 8.190 nan 0.000 0.447 529 N N 0.289 118.868 118.700 -0.202 0.000 2.120 529 N HA -0.146 4.595 4.740 0.001 0.000 0.188 529 N C 1.567 176.978 175.510 -0.165 0.000 1.024 529 N CA 1.541 54.505 53.050 -0.143 0.000 0.852 529 N CB -0.454 37.984 38.487 -0.082 0.000 1.003 529 N HN 0.467 nan 8.380 nan 0.000 0.424 530 D N -0.087 120.233 120.400 -0.134 0.000 2.144 530 D HA -0.034 4.606 4.640 0.001 0.000 0.200 530 D C 1.984 178.176 176.300 -0.180 0.000 0.978 530 D CA 1.009 54.965 54.000 -0.073 0.000 0.833 530 D CB -0.536 40.334 40.800 0.116 0.000 0.961 530 D HN 0.314 nan 8.370 nan 0.000 0.470 531 G N 1.955 110.433 108.800 -0.535 0.000 2.553 531 G HA2 -0.280 3.681 3.960 0.001 0.000 0.218 531 G HA3 -0.280 3.681 3.960 0.001 0.000 0.218 531 G C 1.691 176.127 174.900 -0.774 0.000 1.195 531 G CA 1.630 45.897 45.100 -1.387 0.000 0.779 531 G HN 0.402 nan 8.290 nan 0.000 0.577 532 I N -1.850 118.395 120.570 -0.542 0.000 2.761 532 I HA 0.165 4.336 4.170 0.001 0.000 0.261 532 I C 2.171 178.087 176.117 -0.336 0.000 1.198 532 I CA 0.936 61.992 61.300 -0.405 0.000 1.482 532 I CB -0.288 37.523 38.000 -0.315 0.000 1.100 532 I HN -0.026 nan 8.210 nan 0.000 0.445 533 E N 1.770 121.829 120.200 -0.236 0.000 2.049 533 E HA -0.190 4.161 4.350 0.001 0.000 0.198 533 E C 2.234 178.753 176.600 -0.135 0.000 1.007 533 E CA 1.874 58.186 56.400 -0.148 0.000 0.809 533 E CB -0.377 29.256 29.700 -0.112 0.000 0.749 533 E HN 0.601 nan 8.360 nan 0.000 0.450 534 L N 0.603 121.740 121.223 -0.143 0.000 2.109 534 L HA -0.117 4.223 4.340 0.001 0.000 0.207 534 L C 2.738 179.559 176.870 -0.080 0.000 1.086 534 L CA 0.454 55.238 54.840 -0.094 0.000 0.760 534 L CB -0.382 41.633 42.059 -0.074 0.000 0.910 534 L HN 0.155 nan 8.230 nan 0.000 0.437 535 L N -0.206 120.938 121.223 -0.132 0.000 2.042 535 L HA -0.290 4.051 4.340 0.001 0.000 0.210 535 L C 2.728 179.502 176.870 -0.160 0.000 1.076 535 L CA 1.673 56.433 54.840 -0.132 0.000 0.749 535 L CB -0.197 41.730 42.059 -0.220 0.000 0.893 535 L HN 0.449 nan 8.230 nan 0.000 0.432 536 Q N -0.919 118.745 119.800 -0.227 0.000 2.046 536 Q HA -0.237 4.104 4.340 0.001 0.000 0.200 536 Q C 2.206 178.199 176.000 -0.012 0.000 0.975 536 Q CA 1.707 57.428 55.803 -0.136 0.000 0.836 536 Q CB -0.115 28.558 28.738 -0.108 0.000 0.896 536 Q HN 0.566 nan 8.270 nan 0.000 0.428 537 M N -0.054 119.541 119.600 -0.007 0.000 2.159 537 M HA -0.162 4.318 4.480 0.001 0.000 0.263 537 M C 2.242 178.607 176.300 0.108 0.000 1.063 537 M CA 1.066 56.398 55.300 0.054 0.000 1.110 537 M CB -0.174 32.444 32.600 0.031 0.000 1.374 537 M HN 0.047 nan 8.290 nan 0.000 0.411 538 V N 0.702 120.657 119.914 0.068 0.000 2.343 538 V HA -0.257 3.863 4.120 0.001 0.000 0.247 538 V C 2.273 178.458 176.094 0.152 0.000 1.051 538 V CA 1.614 63.976 62.300 0.104 0.000 1.036 538 V CB -0.665 31.199 31.823 0.067 0.000 0.654 538 V HN 0.452 nan 8.190 nan 0.000 0.451 539 L N 0.097 121.380 121.223 0.100 0.000 2.017 539 L HA -0.202 4.138 4.340 0.001 0.000 0.208 539 L C 2.173 179.121 176.870 0.130 0.000 1.073 539 L CA 2.180 57.084 54.840 0.106 0.000 0.745 539 L CB -0.682 41.426 42.059 0.082 0.000 0.894 539 L HN 0.415 nan 8.230 nan 0.000 0.432 540 N N -1.139 117.640 118.700 0.132 0.000 2.512 540 N HA -0.092 4.649 4.740 0.001 0.000 0.183 540 N C 0.364 175.955 175.510 0.135 0.000 1.073 540 N CA -0.040 53.081 53.050 0.118 0.000 0.911 540 N CB -0.009 38.539 38.487 0.103 0.000 0.964 540 N HN 0.088 nan 8.380 nan 0.000 0.447 541 F N 1.569 121.542 119.950 0.039 0.000 2.450 541 F HA 0.110 4.637 4.527 0.001 0.000 0.339 541 F C 0.221 176.026 175.800 0.009 0.000 1.146 541 F CA -0.103 57.918 58.000 0.035 0.000 1.267 541 F CB 0.599 39.634 39.000 0.060 0.000 1.178 541 F HN -0.089 nan 8.300 nan 0.000 0.585 542 D N 2.773 122.637 120.400 -0.895 0.000 2.879 542 D HA 0.364 5.005 4.640 0.001 0.000 0.236 542 D C -1.786 174.159 176.300 -0.590 0.000 1.171 542 D CA -0.280 53.417 54.000 -0.505 0.000 0.868 542 D CB 2.191 42.823 40.800 -0.280 0.000 1.598 542 D HN 0.621 nan 8.370 nan 0.000 0.497 543 T N 1.867 116.251 114.554 -0.283 0.000 2.956 543 T HA 0.222 4.573 4.350 0.001 0.000 0.312 543 T C 0.585 175.225 174.700 -0.101 0.000 1.151 543 T CA -0.840 61.148 62.100 -0.188 0.000 1.024 543 T CB 1.839 70.642 68.868 -0.108 0.000 1.140 543 T HN 0.421 nan 8.240 nan 0.000 0.473 544 K N 0.267 120.619 120.400 -0.081 0.000 2.374 544 K HA 0.256 4.576 4.320 0.001 0.000 0.196 544 K C -0.101 176.477 176.600 -0.036 0.000 1.023 544 K CA -0.233 56.026 56.287 -0.048 0.000 1.103 544 K CB 0.303 32.775 32.500 -0.047 0.000 0.848 544 K HN 0.503 nan 8.250 nan 0.000 0.528 545 D N 1.361 121.733 120.400 -0.046 0.000 2.329 545 D HA 0.179 4.819 4.640 0.001 0.000 0.232 545 D C -1.837 174.436 176.300 -0.046 0.000 1.088 545 D CA -2.595 51.378 54.000 -0.046 0.000 0.835 545 D CB 1.763 42.531 40.800 -0.053 0.000 1.078 545 D HN -0.203 nan 8.370 nan 0.000 0.495 546 P HA -0.151 nan 4.420 nan 0.000 0.215 546 P C 1.231 178.509 177.300 -0.037 0.000 1.157 546 P CA 0.822 63.907 63.100 -0.026 0.000 0.874 546 P CB 0.193 31.875 31.700 -0.030 0.000 0.790 547 L N -1.504 119.667 121.223 -0.086 0.000 2.191 547 L HA -0.137 4.204 4.340 0.001 0.000 0.212 547 L C 2.276 179.163 176.870 0.029 0.000 1.103 547 L CA 1.403 56.200 54.840 -0.073 0.000 0.769 547 L CB -0.966 40.891 42.059 -0.337 0.000 0.908 547 L HN -0.037 nan 8.230 nan 0.000 0.438 548 I N -1.433 119.108 120.570 -0.048 0.000 2.480 548 I HA -0.137 4.033 4.170 0.001 0.000 0.251 548 I C 2.314 178.354 176.117 -0.129 0.000 1.124 548 I CA 0.784 61.988 61.300 -0.161 0.000 1.444 548 I CB -0.951 36.885 38.000 -0.274 0.000 1.098 548 I HN 0.214 nan 8.210 nan 0.000 0.428 549 L N 0.968 122.165 121.223 -0.045 0.000 2.079 549 L HA -0.188 4.152 4.340 0.001 0.000 0.210 549 L C 2.736 179.640 176.870 0.057 0.000 1.081 549 L CA 1.849 56.694 54.840 0.009 0.000 0.752 549 L CB -0.854 41.217 42.059 0.019 0.000 0.896 549 L HN 0.179 nan 8.230 nan 0.000 0.433 550 S N -1.854 113.891 115.700 0.075 0.000 2.399 550 S HA -0.196 4.274 4.470 0.001 0.000 0.231 550 S C 2.104 176.793 174.600 0.147 0.000 1.022 550 S CA 1.429 59.723 58.200 0.156 0.000 0.983 550 S CB -0.551 62.690 63.200 0.067 0.000 0.803 550 S HN 0.681 nan 8.310 nan 0.000 0.480 551 C N 0.689 120.035 119.300 0.076 0.000 2.450 551 C HA 0.111 4.571 4.460 0.001 0.000 0.279 551 C C 2.541 177.602 174.990 0.117 0.000 1.335 551 C CA 0.320 59.397 59.018 0.099 0.000 1.749 551 C CB -1.361 26.455 27.740 0.126 0.000 1.963 551 C HN 0.488 nan 8.230 nan 0.000 0.501 552 V N 1.607 121.552 119.914 0.052 0.000 2.255 552 V HA -0.263 3.857 4.120 0.001 0.000 0.247 552 V C 2.436 178.585 176.094 0.091 0.000 1.051 552 V CA 2.069 64.410 62.300 0.068 0.000 1.018 552 V CB -0.767 31.100 31.823 0.073 0.000 0.641 552 V HN 0.541 nan 8.190 nan 0.000 0.445 553 L N -0.172 121.103 121.223 0.087 0.000 2.042 553 L HA -0.216 4.124 4.340 0.001 0.000 0.210 553 L C 2.630 179.516 176.870 0.027 0.000 1.076 553 L CA 2.117 56.958 54.840 0.000 0.000 0.749 553 L CB -1.222 40.757 42.059 -0.133 0.000 0.893 553 L HN 0.392 nan 8.230 nan 0.000 0.432 554 T N -0.697 113.996 114.554 0.232 0.000 2.746 554 T HA -0.138 4.213 4.350 0.001 0.000 0.267 554 T C 1.707 176.472 174.700 0.108 0.000 1.039 554 T CA 1.326 63.549 62.100 0.205 0.000 1.142 554 T CB -0.276 68.720 68.868 0.213 0.000 0.866 554 T HN 0.329 nan 8.240 nan 0.000 0.444 555 N N 0.867 119.629 118.700 0.105 0.000 2.309 555 N HA -0.026 4.715 4.740 0.001 0.000 0.182 555 N C 1.909 177.474 175.510 0.092 0.000 1.018 555 N CA 0.588 53.692 53.050 0.090 0.000 0.876 555 N CB -0.270 38.276 38.487 0.098 0.000 0.972 555 N HN 0.235 nan 8.380 nan 0.000 0.434 556 V N 0.969 120.931 119.914 0.080 0.000 2.379 556 V HA -0.144 3.977 4.120 0.001 0.000 0.245 556 V C 2.148 178.309 176.094 0.111 0.000 1.044 556 V CA 1.448 63.800 62.300 0.086 0.000 1.036 556 V CB -0.474 31.383 31.823 0.057 0.000 0.664 556 V HN 0.256 nan 8.190 nan 0.000 0.453 557 S N 0.548 116.282 115.700 0.056 0.000 2.383 557 S HA -0.106 4.364 4.470 0.001 0.000 0.227 557 S C 2.227 176.883 174.600 0.093 0.000 1.026 557 S CA 1.226 59.457 58.200 0.051 0.000 0.981 557 S CB -0.482 62.705 63.200 -0.020 0.000 0.818 557 S HN 0.623 nan 8.310 nan 0.000 0.472 558 A N 1.626 124.494 122.820 0.081 0.000 1.883 558 A HA 0.011 4.331 4.320 0.001 0.000 0.217 558 A C 2.005 179.640 177.584 0.085 0.000 1.186 558 A CA 1.208 53.288 52.037 0.072 0.000 0.624 558 A CB -0.716 18.333 19.000 0.081 0.000 0.822 558 A HN 0.460 nan 8.150 nan 0.000 0.444 559 L N -1.656 119.659 121.223 0.153 0.000 2.610 559 L HA 0.024 4.364 4.340 0.001 0.000 0.232 559 L C 2.062 179.029 176.870 0.161 0.000 1.149 559 L CA 0.159 55.156 54.840 0.262 0.000 0.872 559 L CB -0.283 41.937 42.059 0.267 0.000 0.992 559 L HN 0.517 nan 8.230 nan 0.000 0.447 560 F N 2.385 122.283 119.950 -0.086 0.000 2.234 560 F HA -0.050 4.478 4.527 0.001 0.000 0.299 560 F C -0.531 175.018 175.800 -0.419 0.000 1.087 560 F CA 0.683 58.575 58.000 -0.180 0.000 1.340 560 F CB -1.013 37.901 39.000 -0.144 0.000 1.031 560 F HN 0.086 nan 8.300 nan 0.000 0.500 561 P HA -0.220 nan 4.420 nan 0.000 0.220 561 P C 1.586 178.429 177.300 -0.761 0.000 1.144 561 P CA 1.569 64.036 63.100 -1.055 0.000 0.800 561 P CB -0.564 30.276 31.700 -1.433 0.000 0.772 562 F N -0.108 119.681 119.950 -0.268 0.000 2.161 562 F HA -0.168 4.359 4.527 0.001 0.000 0.300 562 F C 2.344 178.063 175.800 -0.134 0.000 1.089 562 F CA 0.762 58.741 58.000 -0.035 0.000 1.282 562 F CB -1.384 37.606 39.000 -0.016 0.000 1.010 562 F HN -0.269 nan 8.300 nan 0.000 0.485 563 V N -0.567 119.163 119.914 -0.307 0.000 2.828 563 V HA -0.304 3.816 4.120 0.001 0.000 0.260 563 V C 2.091 178.001 176.094 -0.307 0.000 1.101 563 V CA 2.151 64.252 62.300 -0.332 0.000 1.123 563 V CB -1.340 30.056 31.823 -0.711 0.000 0.704 563 V HN 0.417 nan 8.190 nan 0.000 0.493 564 T N -0.602 113.690 114.554 -0.437 0.000 2.788 564 T HA -0.196 4.154 4.350 0.001 0.000 0.268 564 T C 1.664 176.193 174.700 -0.284 0.000 1.044 564 T CA 1.911 63.766 62.100 -0.408 0.000 1.139 564 T CB -0.331 68.191 68.868 -0.576 0.000 0.867 564 T HN 0.596 nan 8.240 nan 0.000 0.454 565 Y N 0.383 120.665 120.300 -0.030 0.000 2.420 565 Y HA 0.180 4.731 4.550 0.001 0.000 0.292 565 Y C 1.462 177.390 175.900 0.047 0.000 1.119 565 Y CA 0.340 58.459 58.100 0.032 0.000 1.229 565 Y CB 0.391 38.901 38.460 0.084 0.000 1.026 565 Y HN -0.206 nan 8.280 nan 0.000 0.554 566 R N 0.062 120.695 120.500 0.220 0.000 2.629 566 R HA 0.231 4.571 4.340 0.001 0.000 0.277 566 R C -2.536 173.854 176.300 0.149 0.000 1.637 566 R CA -1.432 54.795 56.100 0.213 0.000 1.663 566 R CB 0.516 31.039 30.300 0.373 0.000 1.228 566 R HN 0.105 nan 8.270 nan 0.000 0.632 567 P HA -0.127 nan 4.420 nan 0.000 0.225 567 P C 0.505 177.783 177.300 -0.037 0.000 1.148 567 P CA 0.964 64.062 63.100 -0.003 0.000 0.779 567 P CB 0.337 32.037 31.700 -0.000 0.000 0.780 568 E N -1.203 118.930 120.200 -0.112 0.000 2.284 568 E HA -0.208 4.142 4.350 0.001 0.000 0.200 568 E C 1.111 177.497 176.600 -0.357 0.000 1.008 568 E CA 1.044 57.281 56.400 -0.273 0.000 0.829 568 E CB -0.903 28.529 29.700 -0.447 0.000 0.744 568 E HN 0.376 nan 8.360 nan 0.000 0.491 569 F N 0.345 120.267 119.950 -0.046 0.000 2.664 569 F HA 0.105 4.632 4.527 0.001 0.000 0.296 569 F C 1.844 177.574 175.800 -0.117 0.000 1.125 569 F CA 0.013 57.977 58.000 -0.060 0.000 1.444 569 F CB 0.026 38.998 39.000 -0.048 0.000 1.114 569 F HN -0.074 nan 8.300 nan 0.000 0.576 570 L N 0.575 121.769 121.223 -0.048 0.000 2.010 570 L HA -0.249 4.092 4.340 0.001 0.000 0.219 570 L C -0.397 176.148 176.870 -0.541 0.000 1.077 570 L CA 2.012 56.639 54.840 -0.355 0.000 0.773 570 L CB -1.807 40.080 42.059 -0.287 0.000 0.892 570 L HN 0.047 nan 8.230 nan 0.000 0.436 571 P HA -0.218 nan 4.420 nan 0.000 0.215 571 P C 1.501 178.835 177.300 0.057 0.000 1.157 571 P CA 1.392 64.531 63.100 0.064 0.000 0.874 571 P CB -0.017 31.738 31.700 0.092 0.000 0.790 572 Q N -0.584 119.248 119.800 0.053 0.000 2.061 572 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 572 Q C 2.078 178.130 176.000 0.086 0.000 0.984 572 Q CA 1.616 57.482 55.803 0.105 0.000 0.846 572 Q CB -0.745 28.104 28.738 0.186 0.000 0.902 572 Q HN 0.049 nan 8.270 nan 0.000 0.421 573 V N 0.549 120.478 119.914 0.024 0.000 2.231 573 V HA -0.311 3.810 4.120 0.001 0.000 0.248 573 V C 1.981 178.103 176.094 0.047 0.000 1.054 573 V CA 2.169 64.469 62.300 -0.001 0.000 1.015 573 V CB -0.866 30.952 31.823 -0.009 0.000 0.638 573 V HN 0.382 nan 8.190 nan 0.000 0.444 574 F N 0.265 120.313 119.950 0.162 0.000 2.154 574 F HA -0.223 4.304 4.527 0.001 0.000 0.301 574 F C 2.710 178.656 175.800 0.244 0.000 1.087 574 F CA 1.353 59.489 58.000 0.227 0.000 1.274 574 F CB -0.508 38.614 39.000 0.204 0.000 1.009 574 F HN 0.090 nan 8.300 nan 0.000 0.485 575 S N -0.169 115.713 115.700 0.303 0.000 2.355 575 S HA -0.211 4.259 4.470 0.001 0.000 0.222 575 S C 1.887 176.592 174.600 0.174 0.000 1.031 575 S CA 1.331 59.655 58.200 0.206 0.000 0.993 575 S CB -0.249 63.038 63.200 0.145 0.000 0.859 575 S HN 0.177 nan 8.310 nan 0.000 0.453 576 K N 1.307 121.790 120.400 0.137 0.000 2.057 576 K HA 0.030 4.351 4.320 0.001 0.000 0.207 576 K C 1.792 178.427 176.600 0.058 0.000 1.049 576 K CA 1.201 57.541 56.287 0.089 0.000 0.931 576 K CB -0.323 32.221 32.500 0.072 0.000 0.714 576 K HN 0.288 nan 8.250 nan 0.000 0.440 577 L N -1.144 120.106 121.223 0.044 0.000 2.084 577 L HA 0.002 4.342 4.340 0.001 0.000 0.202 577 L C 2.126 178.921 176.870 -0.125 0.000 1.074 577 L CA 0.907 55.689 54.840 -0.096 0.000 0.757 577 L CB -0.411 41.533 42.059 -0.192 0.000 0.918 577 L HN 0.096 nan 8.230 nan 0.000 0.444 578 F N 0.644 120.571 119.950 -0.038 0.000 2.134 578 F HA -0.263 4.264 4.527 0.001 0.000 0.299 578 F C 2.961 178.761 175.800 0.001 0.000 1.097 578 F CA 1.672 59.631 58.000 -0.069 0.000 1.264 578 F CB -0.499 38.356 39.000 -0.242 0.000 1.001 578 F HN 0.153 nan 8.300 nan 0.000 0.479 579 S N -0.716 115.104 115.700 0.200 0.000 2.359 579 S HA -0.232 4.239 4.470 0.001 0.000 0.224 579 S C 2.056 176.718 174.600 0.103 0.000 1.035 579 S CA 1.539 59.827 58.200 0.147 0.000 1.018 579 S CB -1.109 62.161 63.200 0.116 0.000 0.876 579 S HN 0.293 nan 8.310 nan 0.000 0.448 580 S N 1.444 117.179 115.700 0.058 0.000 2.440 580 S HA -0.031 4.440 4.470 0.001 0.000 0.238 580 S C 1.816 176.422 174.600 0.009 0.000 1.010 580 S CA 1.074 59.291 58.200 0.028 0.000 0.972 580 S CB -0.641 62.555 63.200 -0.007 0.000 0.774 580 S HN 0.420 nan 8.310 nan 0.000 0.501 581 V N 1.783 121.697 119.914 -0.000 0.000 2.453 581 V HA -0.143 3.977 4.120 0.001 0.000 0.247 581 V C 2.447 178.546 176.094 0.008 0.000 1.048 581 V CA 2.006 64.290 62.300 -0.026 0.000 1.049 581 V CB -1.117 30.681 31.823 -0.042 0.000 0.672 581 V HN 0.540 nan 8.190 nan 0.000 0.457 582 T N -1.323 113.277 114.554 0.077 0.000 2.770 582 T HA 0.068 4.419 4.350 0.001 0.000 0.263 582 T C 0.320 175.085 174.700 0.107 0.000 1.039 582 T CA 1.246 63.408 62.100 0.104 0.000 1.142 582 T CB -0.039 68.927 68.868 0.164 0.000 0.868 582 T HN 0.272 nan 8.240 nan 0.000 0.435 583 F N -0.374 119.586 119.950 0.016 0.000 3.052 583 F HA 0.560 5.088 4.527 0.001 0.000 0.323 583 F C -1.874 173.926 175.800 0.001 0.000 1.178 583 F CA -1.452 56.551 58.000 0.004 0.000 0.892 583 F CB 1.690 40.691 39.000 0.003 0.000 1.416 583 F HN -0.302 nan 8.300 nan 0.000 0.488 584 E N -0.008 120.527 120.200 0.559 0.000 2.216 584 E HA 0.310 4.660 4.350 0.001 0.000 0.260 584 E C -0.286 176.449 176.600 0.225 0.000 0.880 584 E CA -0.373 56.214 56.400 0.312 0.000 0.765 584 E CB 1.321 31.125 29.700 0.173 0.000 1.174 584 E HN 0.511 nan 8.360 nan 0.000 0.417 585 T N 0.934 115.509 114.554 0.036 0.000 3.650 585 T HA -0.052 4.298 4.350 0.001 0.000 0.254 585 T C 1.669 176.319 174.700 -0.083 0.000 1.130 585 T CA 0.548 62.580 62.100 -0.114 0.000 0.984 585 T CB -1.079 67.727 68.868 -0.104 0.000 1.039 585 T HN 0.330 nan 8.240 nan 0.000 0.586 586 V N -1.759 118.143 119.914 -0.021 0.000 2.282 586 V HA -0.033 4.087 4.120 0.001 0.000 0.249 586 V C 0.605 176.660 176.094 -0.065 0.000 1.057 586 V CA 1.542 63.834 62.300 -0.014 0.000 1.032 586 V CB -0.955 30.891 31.823 0.038 0.000 0.645 586 V HN 0.834 nan 8.190 nan 0.000 0.447 587 E N -2.310 117.804 120.200 -0.142 0.000 3.086 587 E HA 0.163 4.514 4.350 0.001 0.000 0.312 587 E C -0.395 176.019 176.600 -0.309 0.000 1.147 587 E CA -0.271 56.015 56.400 -0.191 0.000 0.914 587 E CB 0.588 30.249 29.700 -0.065 0.000 1.154 587 E HN 0.284 nan 8.360 nan 0.000 0.475 588 E N 0.690 120.644 120.200 -0.411 0.000 3.227 588 E HA 0.266 4.617 4.350 0.001 0.000 0.455 588 E C 0.173 176.801 176.600 0.047 0.000 0.292 588 E CA 0.428 56.571 56.400 -0.429 0.000 2.635 588 E CB 0.135 29.564 29.700 -0.452 0.000 2.232 588 E HN 0.322 nan 8.360 nan 0.000 0.443 589 S N 0.670 116.396 115.700 0.043 0.000 3.120 589 S HA 0.069 4.539 4.470 0.001 0.000 0.259 589 S C 0.284 174.907 174.600 0.038 0.000 1.191 589 S CA 0.376 58.618 58.200 0.070 0.000 1.257 589 S CB -0.400 62.827 63.200 0.046 0.000 0.964 589 S HN 0.190 nan 8.310 nan 0.000 0.473 590 K N -0.017 120.405 120.400 0.036 0.000 2.603 590 K HA 0.317 4.637 4.320 0.001 0.000 0.205 590 K C 0.308 176.933 176.600 0.043 0.000 1.500 590 K CA 0.084 56.386 56.287 0.024 0.000 1.059 590 K CB 0.764 33.262 32.500 -0.003 0.000 1.416 590 K HN 0.237 nan 8.250 nan 0.000 0.562 591 A N 2.300 125.155 122.820 0.059 0.000 2.384 591 A HA 0.663 4.983 4.320 0.001 0.000 0.312 591 A C -2.766 174.882 177.584 0.107 0.000 1.113 591 A CA -1.465 50.618 52.037 0.077 0.000 0.779 591 A CB 0.582 19.617 19.000 0.058 0.000 1.307 591 A HN -0.138 nan 8.150 nan 0.000 0.436 592 P HA 0.397 nan 4.420 nan 0.000 0.271 592 P C -0.566 176.768 177.300 0.056 0.000 1.218 592 P CA -0.423 62.736 63.100 0.098 0.000 0.780 592 P CB 0.392 32.166 31.700 0.123 0.000 0.901 593 R N 1.990 122.510 120.500 0.033 0.000 2.345 593 R HA 0.204 4.544 4.340 0.001 0.000 0.331 593 R C 0.123 176.403 176.300 -0.032 0.000 1.067 593 R CA 0.119 56.226 56.100 0.012 0.000 0.962 593 R CB -1.012 29.268 30.300 -0.033 0.000 0.987 593 R HN 0.615 nan 8.270 nan 0.000 0.451 594 T N 0.578 115.123 114.554 -0.015 0.000 2.856 594 T HA 0.091 4.442 4.350 0.001 0.000 0.306 594 T C 1.222 175.897 174.700 -0.041 0.000 1.062 594 T CA -0.549 61.528 62.100 -0.039 0.000 1.083 594 T CB 1.134 69.990 68.868 -0.020 0.000 0.984 594 T HN 0.711 nan 8.240 nan 0.000 0.542 595 R N 1.072 121.544 120.500 -0.047 0.000 2.081 595 R HA -0.071 4.270 4.340 0.001 0.000 0.235 595 R C 2.577 178.860 176.300 -0.029 0.000 1.131 595 R CA 1.385 57.462 56.100 -0.037 0.000 0.960 595 R CB -0.988 29.295 30.300 -0.029 0.000 0.856 595 R HN 0.872 nan 8.270 nan 0.000 0.436 596 A N 0.190 122.991 122.820 -0.031 0.000 2.019 596 A HA -0.095 4.225 4.320 0.001 0.000 0.219 596 A C 2.183 179.755 177.584 -0.021 0.000 1.164 596 A CA 1.367 53.382 52.037 -0.036 0.000 0.644 596 A CB -0.327 18.634 19.000 -0.066 0.000 0.805 596 A HN 0.227 nan 8.150 nan 0.000 0.449 597 V N 1.034 120.940 119.914 -0.013 0.000 2.255 597 V HA -0.260 3.860 4.120 0.001 0.000 0.243 597 V C 2.688 178.768 176.094 -0.024 0.000 1.038 597 V CA 2.197 64.498 62.300 0.002 0.000 1.008 597 V CB -0.796 31.046 31.823 0.032 0.000 0.645 597 V HN 0.837 nan 8.190 nan 0.000 0.449 598 R N 0.650 121.123 120.500 -0.044 0.000 2.241 598 R HA -0.130 4.210 4.340 0.001 0.000 0.224 598 R C 1.739 178.019 176.300 -0.034 0.000 1.101 598 R CA 1.753 57.817 56.100 -0.060 0.000 0.995 598 R CB -0.613 29.646 30.300 -0.069 0.000 0.870 598 R HN 0.454 nan 8.270 nan 0.000 0.463 599 N N 1.211 119.900 118.700 -0.019 0.000 2.135 599 N HA -0.112 4.628 4.740 0.001 0.000 0.186 599 N C 1.976 177.505 175.510 0.031 0.000 1.027 599 N CA 1.841 54.889 53.050 -0.003 0.000 0.849 599 N CB -0.311 38.169 38.487 -0.012 0.000 1.002 599 N HN 0.293 nan 8.380 nan 0.000 0.425 600 V N -0.327 119.609 119.914 0.036 0.000 2.427 600 V HA -0.091 4.029 4.120 0.001 0.000 0.248 600 V C 2.131 178.258 176.094 0.055 0.000 1.051 600 V CA 1.142 63.492 62.300 0.083 0.000 1.048 600 V CB -0.641 31.221 31.823 0.064 0.000 0.666 600 V HN 0.114 nan 8.190 nan 0.000 0.456 601 R N 0.562 121.064 120.500 0.004 0.000 2.088 601 R HA -0.141 4.200 4.340 0.001 0.000 0.232 601 R C 2.646 178.924 176.300 -0.037 0.000 1.136 601 R CA 2.038 58.117 56.100 -0.035 0.000 0.926 601 R CB -0.668 29.588 30.300 -0.073 0.000 0.837 601 R HN 0.442 nan 8.270 nan 0.000 0.429 602 R N 0.173 120.658 120.500 -0.025 0.000 2.113 602 R HA -0.267 4.074 4.340 0.001 0.000 0.244 602 R C 2.383 178.698 176.300 0.026 0.000 1.142 602 R CA 2.177 58.267 56.100 -0.017 0.000 0.953 602 R CB -0.426 29.869 30.300 -0.009 0.000 0.860 602 R HN 0.340 nan 8.270 nan 0.000 0.438 603 H N -0.092 118.943 119.070 -0.057 0.000 2.387 603 H HA -0.000 4.556 4.556 0.001 0.000 0.299 603 H C 1.652 176.935 175.328 -0.074 0.000 1.090 603 H CA 1.863 57.880 56.048 -0.052 0.000 1.332 603 H CB -0.243 29.500 29.762 -0.031 0.000 1.386 603 H HN 0.374 nan 8.280 nan 0.000 0.516 604 A N -0.240 122.488 122.820 -0.154 0.000 1.855 604 A HA -0.163 4.157 4.320 0.001 0.000 0.215 604 A C 2.862 180.293 177.584 -0.256 0.000 1.191 604 A CA 1.393 53.282 52.037 -0.247 0.000 0.613 604 A CB -1.258 17.637 19.000 -0.176 0.000 0.829 604 A HN 0.615 nan 8.150 nan 0.000 0.442 605 C N -0.589 118.593 119.300 -0.197 0.000 2.398 605 C HA -0.121 4.339 4.460 0.001 0.000 0.276 605 C C 3.261 178.150 174.990 -0.168 0.000 1.222 605 C CA 1.426 60.328 59.018 -0.193 0.000 1.746 605 C CB -1.419 26.239 27.740 -0.137 0.000 2.039 605 C HN 0.629 nan 8.230 nan 0.000 0.470 606 S N 1.062 116.688 115.700 -0.123 0.000 2.372 606 S HA -0.199 4.271 4.470 0.001 0.000 0.227 606 S C 1.994 176.509 174.600 -0.141 0.000 1.044 606 S CA 2.053 60.194 58.200 -0.098 0.000 1.050 606 S CB -0.416 62.772 63.200 -0.020 0.000 0.901 606 S HN 0.735 nan 8.310 nan 0.000 0.447 607 S N 1.205 116.776 115.700 -0.214 0.000 2.442 607 S HA 0.036 4.506 4.470 0.001 0.000 0.236 607 S C 1.680 176.132 174.600 -0.247 0.000 1.007 607 S CA 0.647 58.700 58.200 -0.244 0.000 0.965 607 S CB -0.318 62.688 63.200 -0.323 0.000 0.773 607 S HN 0.380 nan 8.310 nan 0.000 0.504 608 I N 1.450 121.869 120.570 -0.251 0.000 2.233 608 I HA -0.101 4.070 4.170 0.001 0.000 0.243 608 I C 2.117 178.135 176.117 -0.166 0.000 1.093 608 I CA 1.257 62.406 61.300 -0.251 0.000 1.380 608 I CB -0.922 36.866 38.000 -0.354 0.000 1.067 608 I HN 0.296 nan 8.210 nan 0.000 0.413 609 I N 0.848 121.332 120.570 -0.142 0.000 2.226 609 I HA -0.295 3.875 4.170 0.001 0.000 0.245 609 I C 2.635 178.688 176.117 -0.107 0.000 1.100 609 I CA 1.349 62.586 61.300 -0.105 0.000 1.374 609 I CB -0.396 37.547 38.000 -0.095 0.000 1.057 609 I HN 0.195 nan 8.210 nan 0.000 0.413 610 K N 0.963 121.290 120.400 -0.121 0.000 2.148 610 K HA -0.172 4.149 4.320 0.001 0.000 0.204 610 K C 2.258 178.787 176.600 -0.117 0.000 1.050 610 K CA 1.094 57.315 56.287 -0.110 0.000 0.942 610 K CB 0.016 32.457 32.500 -0.098 0.000 0.724 610 K HN 0.245 nan 8.250 nan 0.000 0.446 611 M N 0.070 119.571 119.600 -0.166 0.000 2.123 611 M HA -0.169 4.311 4.480 0.001 0.000 0.263 611 M C 1.972 178.260 176.300 -0.020 0.000 1.069 611 M CA 1.551 56.724 55.300 -0.211 0.000 1.133 611 M CB -0.129 32.204 32.600 -0.445 0.000 1.356 611 M HN 0.253 nan 8.290 nan 0.000 0.415 612 C N 0.252 119.532 119.300 -0.033 0.000 2.476 612 C HA -0.074 4.386 4.460 0.001 0.000 0.278 612 C C 2.879 177.843 174.990 -0.044 0.000 1.274 612 C CA 1.173 60.193 59.018 0.002 0.000 1.713 612 C CB -1.216 26.517 27.740 -0.012 0.000 2.039 612 C HN 0.625 nan 8.230 nan 0.000 0.484 613 R N 1.141 121.591 120.500 -0.083 0.000 2.083 613 R HA -0.153 4.187 4.340 0.001 0.000 0.237 613 R C 1.489 177.689 176.300 -0.167 0.000 1.137 613 R CA 2.251 58.280 56.100 -0.120 0.000 0.951 613 R CB -0.384 29.845 30.300 -0.118 0.000 0.851 613 R HN 0.491 nan 8.270 nan 0.000 0.434 614 D N -0.832 119.441 120.400 -0.212 0.000 2.162 614 D HA -0.084 4.557 4.640 0.001 0.000 0.203 614 D C -0.070 175.787 176.300 -0.738 0.000 0.967 614 D CA 1.178 54.898 54.000 -0.466 0.000 0.840 614 D CB 0.112 40.591 40.800 -0.535 0.000 0.972 614 D HN 0.288 nan 8.370 nan 0.000 0.482 615 Y N -0.156 120.179 120.300 0.058 0.000 2.749 615 Y HA 0.281 4.832 4.550 0.001 0.000 0.343 615 Y C -1.839 174.108 175.900 0.077 0.000 1.015 615 Y CA -1.682 56.471 58.100 0.089 0.000 1.270 615 Y CB 2.128 40.727 38.460 0.233 0.000 1.097 615 Y HN -0.081 nan 8.280 nan 0.000 0.571 616 P HA -0.071 nan 4.420 nan 0.000 0.225 616 P C 1.414 178.739 177.300 0.041 0.000 1.142 616 P CA 0.556 63.682 63.100 0.043 0.000 0.894 616 P CB 0.512 32.178 31.700 -0.057 0.000 0.895 617 Q N 0.512 120.331 119.800 0.031 0.000 2.173 617 Q HA -0.192 4.148 4.340 0.001 0.000 0.208 617 Q C 1.945 177.992 176.000 0.079 0.000 0.989 617 Q CA 1.490 57.315 55.803 0.037 0.000 0.872 617 Q CB -1.819 26.937 28.738 0.030 0.000 0.909 617 Q HN 0.193 nan 8.270 nan 0.000 0.420 618 L N 1.524 122.822 121.223 0.126 0.000 1.948 618 L HA -0.166 4.175 4.340 0.001 0.000 0.212 618 L C 2.646 179.643 176.870 0.212 0.000 1.074 618 L CA 2.312 57.247 54.840 0.158 0.000 0.753 618 L CB -0.843 41.342 42.059 0.211 0.000 0.888 618 L HN 0.265 nan 8.230 nan 0.000 0.432 619 V N -2.346 117.735 119.914 0.277 0.000 2.982 619 V HA -0.207 3.914 4.120 0.001 0.000 0.265 619 V C 2.355 178.580 176.094 0.219 0.000 1.122 619 V CA 1.401 63.897 62.300 0.328 0.000 1.143 619 V CB -1.284 30.727 31.823 0.314 0.000 0.726 619 V HN 0.481 nan 8.190 nan 0.000 0.507 620 L N 1.805 123.107 121.223 0.132 0.000 1.989 620 L HA 0.020 4.361 4.340 0.001 0.000 0.211 620 L C 0.217 177.170 176.870 0.138 0.000 1.071 620 L CA 2.541 57.426 54.840 0.076 0.000 0.749 620 L CB -1.958 40.104 42.059 0.004 0.000 0.890 620 L HN 0.305 nan 8.230 nan 0.000 0.431 621 P HA -0.133 nan 4.420 nan 0.000 0.218 621 P C 0.412 177.812 177.300 0.167 0.000 1.146 621 P CA 1.405 64.589 63.100 0.140 0.000 0.813 621 P CB -0.233 31.537 31.700 0.116 0.000 0.778 622 N N -1.594 117.223 118.700 0.195 0.000 2.322 622 N HA 0.039 4.779 4.740 0.001 0.000 0.216 622 N C 0.944 176.516 175.510 0.103 0.000 1.144 622 N CA -0.093 53.055 53.050 0.164 0.000 0.830 622 N CB -0.431 38.206 38.487 0.249 0.000 1.034 622 N HN 0.161 nan 8.380 nan 0.000 0.484 623 F N 2.402 122.360 119.950 0.015 0.000 2.113 623 F HA -0.133 4.394 4.527 0.000 0.000 0.297 623 F C 1.362 177.189 175.800 0.044 0.000 1.103 623 F CA 1.487 59.483 58.000 -0.007 0.000 1.248 623 F CB 0.096 39.084 39.000 -0.019 0.000 0.999 623 F HN -0.065 nan 8.300 nan 0.000 0.475 624 D N 0.053 120.465 120.400 0.021 0.000 2.149 624 D HA -0.270 4.370 4.640 0.001 0.000 0.198 624 D C 2.321 178.589 176.300 -0.053 0.000 0.990 624 D CA 1.712 55.700 54.000 -0.021 0.000 0.839 624 D CB -0.546 40.294 40.800 0.067 0.000 0.948 624 D HN 0.366 nan 8.370 nan 0.000 0.460 625 M N -0.075 119.486 119.600 -0.064 0.000 2.077 625 M HA -0.103 4.377 4.480 0.001 0.000 0.261 625 M C 1.873 178.063 176.300 -0.183 0.000 1.070 625 M CA 1.254 56.500 55.300 -0.089 0.000 1.125 625 M CB -0.024 32.538 32.600 -0.064 0.000 1.339 625 M HN -0.004 nan 8.290 nan 0.000 0.409 626 L N -0.946 120.106 121.223 -0.285 0.000 2.042 626 L HA -0.263 4.078 4.340 0.001 0.000 0.210 626 L C 2.519 179.249 176.870 -0.233 0.000 1.076 626 L CA 1.549 56.186 54.840 -0.338 0.000 0.749 626 L CB -1.173 40.684 42.059 -0.337 0.000 0.893 626 L HN 0.347 nan 8.230 nan 0.000 0.432 627 Y N 1.294 121.338 120.300 -0.426 0.000 2.070 627 Y HA -0.321 4.229 4.550 0.001 0.000 0.280 627 Y C 2.389 178.193 175.900 -0.160 0.000 1.148 627 Y CA 2.071 59.967 58.100 -0.340 0.000 1.125 627 Y CB -0.591 37.596 38.460 -0.455 0.000 0.975 627 Y HN 0.182 nan 8.280 nan 0.000 0.492 628 N N -1.270 117.361 118.700 -0.116 0.000 2.094 628 N HA -0.285 4.456 4.740 0.001 0.000 0.191 628 N C 2.049 177.436 175.510 -0.205 0.000 1.023 628 N CA 1.290 54.251 53.050 -0.150 0.000 0.857 628 N CB -0.410 38.045 38.487 -0.052 0.000 1.013 628 N HN 0.404 nan 8.380 nan 0.000 0.426 629 H N 0.400 119.298 119.070 -0.286 0.000 2.319 629 H HA -0.066 4.490 4.556 0.001 0.000 0.299 629 H C 1.910 177.086 175.328 -0.254 0.000 1.092 629 H CA 1.394 57.242 56.048 -0.334 0.000 1.302 629 H CB -0.171 29.230 29.762 -0.601 0.000 1.373 629 H HN 0.054 nan 8.280 nan 0.000 0.497 630 V N 1.009 120.882 119.914 -0.068 0.000 2.427 630 V HA -0.181 3.939 4.120 0.001 0.000 0.248 630 V C 2.665 178.675 176.094 -0.141 0.000 1.051 630 V CA 1.760 64.047 62.300 -0.020 0.000 1.048 630 V CB -0.443 31.380 31.823 -0.000 0.000 0.666 630 V HN 0.292 nan 8.190 nan 0.000 0.456 631 K N -0.186 120.046 120.400 -0.279 0.000 2.063 631 K HA -0.255 4.066 4.320 0.001 0.000 0.208 631 K C 2.297 178.782 176.600 -0.192 0.000 1.048 631 K CA 1.797 57.913 56.287 -0.285 0.000 0.928 631 K CB -0.100 32.159 32.500 -0.402 0.000 0.713 631 K HN 0.499 nan 8.250 nan 0.000 0.442 632 Q N 0.229 119.904 119.800 -0.210 0.000 2.084 632 Q HA -0.112 4.228 4.340 0.001 0.000 0.202 632 Q C 2.148 178.053 176.000 -0.158 0.000 0.978 632 Q CA 1.411 57.096 55.803 -0.198 0.000 0.844 632 Q CB -0.006 28.562 28.738 -0.283 0.000 0.898 632 Q HN 0.309 nan 8.270 nan 0.000 0.426 633 L N 0.112 121.250 121.223 -0.141 0.000 2.131 633 L HA -0.174 4.166 4.340 0.001 0.000 0.210 633 L C 1.957 178.788 176.870 -0.065 0.000 1.092 633 L CA 0.820 55.620 54.840 -0.066 0.000 0.759 633 L CB -0.140 41.938 42.059 0.031 0.000 0.903 633 L HN 0.271 nan 8.230 nan 0.000 0.435 634 L N -1.866 119.306 121.223 -0.084 0.000 2.375 634 L HA -0.025 4.315 4.340 0.001 0.000 0.215 634 L C 2.531 179.333 176.870 -0.113 0.000 1.108 634 L CA 0.072 54.850 54.840 -0.104 0.000 0.830 634 L CB -0.378 41.623 42.059 -0.098 0.000 0.959 634 L HN 0.125 nan 8.230 nan 0.000 0.457 635 S N 0.185 115.823 115.700 -0.103 0.000 2.389 635 S HA -0.262 4.208 4.470 0.001 0.000 0.231 635 S C 1.047 175.597 174.600 -0.083 0.000 1.052 635 S CA 1.495 59.641 58.200 -0.090 0.000 1.053 635 S CB -0.633 62.514 63.200 -0.087 0.000 0.886 635 S HN 0.592 nan 8.310 nan 0.000 0.456 636 N N 1.109 119.761 118.700 -0.080 0.000 2.485 636 N HA 0.073 4.814 4.740 0.001 0.000 0.243 636 N C 0.730 176.186 175.510 -0.090 0.000 0.987 636 N CA -0.125 52.883 53.050 -0.071 0.000 0.940 636 N CB 1.066 39.522 38.487 -0.051 0.000 1.122 636 N HN 0.450 nan 8.380 nan 0.000 0.509 637 E N 3.578 123.715 120.200 -0.106 0.000 2.331 637 E HA -0.162 4.188 4.350 0.001 0.000 0.199 637 E C 0.723 177.246 176.600 -0.128 0.000 1.008 637 E CA 1.066 57.377 56.400 -0.149 0.000 0.843 637 E CB -0.060 29.547 29.700 -0.154 0.000 0.761 637 E HN 0.666 nan 8.360 nan 0.000 0.507 638 L N 0.222 121.393 121.223 -0.087 0.000 2.529 638 L HA 0.122 4.462 4.340 0.001 0.000 0.223 638 L C 2.281 179.115 176.870 -0.060 0.000 1.113 638 L CA -0.059 54.740 54.840 -0.068 0.000 0.861 638 L CB -0.102 41.930 42.059 -0.046 0.000 1.012 638 L HN 0.176 nan 8.230 nan 0.000 0.461 639 L N -0.208 120.980 121.223 -0.059 0.000 1.988 639 L HA -0.048 4.293 4.340 0.001 0.000 0.207 639 L C 0.876 177.699 176.870 -0.078 0.000 1.071 639 L CA 1.267 56.081 54.840 -0.044 0.000 0.744 639 L CB 0.228 42.272 42.059 -0.026 0.000 0.893 639 L HN 0.080 nan 8.230 nan 0.000 0.433 640 L N -0.814 120.357 121.223 -0.086 0.000 2.375 640 L HA 0.239 4.579 4.340 0.001 0.000 0.268 640 L C 0.347 177.156 176.870 -0.101 0.000 1.058 640 L CA -0.675 54.107 54.840 -0.097 0.000 0.803 640 L CB 1.321 43.336 42.059 -0.073 0.000 1.212 640 L HN -0.083 nan 8.230 nan 0.000 0.451 641 T N 0.466 114.957 114.554 -0.105 0.000 2.930 641 T HA -0.026 4.324 4.350 0.001 0.000 0.306 641 T C 0.874 175.530 174.700 -0.073 0.000 1.045 641 T CA -0.232 61.815 62.100 -0.088 0.000 1.134 641 T CB 1.201 70.009 68.868 -0.100 0.000 0.961 641 T HN 0.525 nan 8.240 nan 0.000 0.545 642 Q N 2.380 122.162 119.800 -0.030 0.000 2.156 642 Q HA -0.194 4.146 4.340 0.001 0.000 0.211 642 Q C 2.146 178.043 176.000 -0.171 0.000 0.995 642 Q CA 1.995 57.816 55.803 0.030 0.000 0.877 642 Q CB -0.359 28.503 28.738 0.206 0.000 0.920 642 Q HN 0.754 nan 8.270 nan 0.000 0.416 643 M N -0.157 119.263 119.600 -0.300 0.000 2.117 643 M HA -0.221 4.259 4.480 0.001 0.000 0.262 643 M C 1.429 177.592 176.300 -0.228 0.000 1.065 643 M CA 1.698 56.752 55.300 -0.409 0.000 1.114 643 M CB 0.072 32.492 32.600 -0.300 0.000 1.361 643 M HN 0.169 nan 8.290 nan 0.000 0.408 644 E N -0.249 119.864 120.200 -0.146 0.000 2.106 644 E HA -0.176 4.174 4.350 0.001 0.000 0.192 644 E C 1.956 178.515 176.600 -0.068 0.000 0.984 644 E CA 1.162 57.499 56.400 -0.105 0.000 0.806 644 E CB -0.047 29.597 29.700 -0.094 0.000 0.750 644 E HN 0.503 nan 8.360 nan 0.000 0.458 645 K N 0.312 120.689 120.400 -0.040 0.000 2.009 645 K HA -0.145 4.175 4.320 0.001 0.000 0.210 645 K C 2.302 178.936 176.600 0.057 0.000 1.049 645 K CA 1.526 57.832 56.287 0.031 0.000 0.929 645 K CB -0.329 32.225 32.500 0.090 0.000 0.714 645 K HN 0.208 nan 8.250 nan 0.000 0.440 646 C N 0.568 119.884 119.300 0.026 0.000 2.435 646 C HA -0.040 4.421 4.460 0.001 0.000 0.279 646 C C 2.874 177.836 174.990 -0.047 0.000 1.321 646 C CA 0.557 59.567 59.018 -0.014 0.000 1.752 646 C CB -0.946 26.742 27.740 -0.088 0.000 1.959 646 C HN 0.532 nan 8.230 nan 0.000 0.500 647 A N 0.661 123.433 122.820 -0.080 0.000 1.908 647 A HA -0.131 4.189 4.320 0.001 0.000 0.218 647 A C 2.103 179.654 177.584 -0.054 0.000 1.181 647 A CA 1.521 53.509 52.037 -0.081 0.000 0.627 647 A CB -0.570 18.367 19.000 -0.104 0.000 0.818 647 A HN 0.625 nan 8.150 nan 0.000 0.445 648 L N -1.425 119.779 121.223 -0.032 0.000 2.046 648 L HA -0.214 4.127 4.340 0.001 0.000 0.208 648 L C 2.897 179.798 176.870 0.051 0.000 1.077 648 L CA 1.593 56.436 54.840 0.005 0.000 0.747 648 L CB -0.545 41.541 42.059 0.046 0.000 0.896 648 L HN 0.419 nan 8.230 nan 0.000 0.432 649 M N -0.536 119.099 119.600 0.059 0.000 2.065 649 M HA -0.242 4.239 4.480 0.001 0.000 0.259 649 M C 2.152 178.506 176.300 0.089 0.000 1.069 649 M CA 1.743 57.099 55.300 0.093 0.000 1.110 649 M CB -0.514 32.129 32.600 0.072 0.000 1.328 649 M HN 0.166 nan 8.290 nan 0.000 0.405 650 E N 0.252 120.468 120.200 0.028 0.000 2.164 650 E HA -0.283 4.067 4.350 0.001 0.000 0.206 650 E C 1.970 178.582 176.600 0.020 0.000 1.032 650 E CA 1.646 58.050 56.400 0.006 0.000 0.832 650 E CB -0.220 29.458 29.700 -0.036 0.000 0.742 650 E HN 0.566 nan 8.360 nan 0.000 0.460 651 A N 0.689 123.522 122.820 0.022 0.000 1.897 651 A HA -0.110 4.210 4.320 0.001 0.000 0.215 651 A C 2.166 179.796 177.584 0.077 0.000 1.181 651 A CA 0.786 52.833 52.037 0.016 0.000 0.620 651 A CB -0.495 18.499 19.000 -0.009 0.000 0.821 651 A HN 0.131 nan 8.150 nan 0.000 0.443 652 L N -0.296 121.020 121.223 0.156 0.000 2.012 652 L HA -0.200 4.141 4.340 0.001 0.000 0.210 652 L C 2.568 179.614 176.870 0.293 0.000 1.073 652 L CA 1.419 56.442 54.840 0.305 0.000 0.748 652 L CB -0.749 41.561 42.059 0.418 0.000 0.891 652 L HN 0.255 nan 8.230 nan 0.000 0.431 653 V N 0.255 120.331 119.914 0.270 0.000 2.324 653 V HA -0.327 3.794 4.120 0.001 0.000 0.250 653 V C 2.408 178.503 176.094 0.003 0.000 1.060 653 V CA 1.882 64.298 62.300 0.193 0.000 1.042 653 V CB -0.506 31.395 31.823 0.131 0.000 0.650 653 V HN 0.365 nan 8.190 nan 0.000 0.450 654 L N -0.798 120.411 121.223 -0.023 0.000 2.191 654 L HA -0.136 4.205 4.340 0.001 0.000 0.212 654 L C 2.183 178.957 176.870 -0.160 0.000 1.103 654 L CA 1.365 56.148 54.840 -0.095 0.000 0.769 654 L CB -0.419 41.594 42.059 -0.076 0.000 0.908 654 L HN 0.323 nan 8.230 nan 0.000 0.438 655 I N -1.252 119.219 120.570 -0.165 0.000 2.400 655 I HA -0.172 3.998 4.170 0.001 0.000 0.248 655 I C 2.659 178.322 176.117 -0.757 0.000 1.109 655 I CA 1.085 62.203 61.300 -0.304 0.000 1.425 655 I CB -0.480 37.477 38.000 -0.071 0.000 1.094 655 I HN 0.258 nan 8.210 nan 0.000 0.425 656 S N 1.077 116.231 115.700 -0.910 0.000 2.419 656 S HA -0.201 4.269 4.470 0.001 0.000 0.235 656 S C 1.502 175.675 174.600 -0.711 0.000 1.019 656 S CA 1.594 59.008 58.200 -1.309 0.000 0.982 656 S CB -1.212 61.454 63.200 -0.890 0.000 0.789 656 S HN 0.519 nan 8.310 nan 0.000 0.490 657 N N 1.206 119.674 118.700 -0.385 0.000 2.417 657 N HA -0.114 4.626 4.740 0.001 0.000 0.187 657 N C 1.727 177.101 175.510 -0.226 0.000 1.027 657 N CA 1.077 53.986 53.050 -0.235 0.000 0.891 657 N CB -0.145 38.213 38.487 -0.214 0.000 0.956 657 N HN 0.399 nan 8.380 nan 0.000 0.442 658 Q N -0.447 119.134 119.800 -0.365 0.000 2.424 658 Q HA 0.074 4.414 4.340 0.001 0.000 0.204 658 Q C 0.989 176.894 176.000 -0.158 0.000 0.933 658 Q CA 0.321 55.971 55.803 -0.255 0.000 0.929 658 Q CB 0.125 28.689 28.738 -0.290 0.000 1.037 658 Q HN 0.397 nan 8.270 nan 0.000 0.511 659 F N 1.764 121.630 119.950 -0.141 0.000 2.307 659 F HA -0.107 4.421 4.527 0.001 0.000 0.301 659 F C 0.859 176.667 175.800 0.013 0.000 1.076 659 F CA 0.655 58.593 58.000 -0.104 0.000 1.383 659 F CB -0.481 38.439 39.000 -0.134 0.000 1.055 659 F HN 0.026 nan 8.300 nan 0.000 0.526 660 K N 1.197 121.743 120.400 0.244 0.000 3.415 660 K HA -0.280 4.040 4.320 0.001 0.000 0.271 660 K C -0.283 176.584 176.600 0.445 0.000 0.876 660 K CA 0.649 57.138 56.287 0.336 0.000 0.670 660 K CB -1.615 31.013 32.500 0.215 0.000 1.510 660 K HN 0.302 nan 8.250 nan 0.000 0.455 661 N N 0.011 118.963 118.700 0.421 0.000 2.537 661 N HA 0.046 4.787 4.740 0.001 0.000 0.281 661 N C -0.080 175.413 175.510 -0.029 0.000 1.097 661 N CA -0.593 52.526 53.050 0.115 0.000 0.964 661 N CB 0.936 39.459 38.487 0.061 0.000 1.588 661 N HN 0.116 nan 8.380 nan 0.000 0.511 662 Y N 3.721 123.688 120.300 -0.555 0.000 2.049 662 Y HA -0.129 4.421 4.550 0.000 0.000 0.277 662 Y C 1.844 177.679 175.900 -0.107 0.000 1.143 662 Y CA 1.954 59.767 58.100 -0.478 0.000 1.115 662 Y CB 0.191 38.258 38.460 -0.655 0.000 0.975 662 Y HN 0.583 nan 8.280 nan 0.000 0.487 663 E N 0.253 120.437 120.200 -0.027 0.000 2.077 663 E HA -0.246 4.104 4.350 0.001 0.000 0.193 663 E C 2.302 178.847 176.600 -0.091 0.000 0.989 663 E CA 1.307 57.682 56.400 -0.042 0.000 0.800 663 E CB -0.415 29.304 29.700 0.032 0.000 0.746 663 E HN 0.337 nan 8.360 nan 0.000 0.452 664 R N 1.301 121.746 120.500 -0.093 0.000 2.115 664 R HA -0.214 4.127 4.340 0.001 0.000 0.239 664 R C 2.267 178.528 176.300 -0.065 0.000 1.133 664 R CA 2.311 58.315 56.100 -0.159 0.000 0.935 664 R CB -0.447 29.706 30.300 -0.244 0.000 0.853 664 R HN 0.216 nan 8.270 nan 0.000 0.433 665 Q N -0.437 119.410 119.800 0.077 0.000 2.226 665 Q HA -0.179 4.162 4.340 0.001 0.000 0.204 665 Q C 1.917 177.971 176.000 0.089 0.000 0.975 665 Q CA 1.578 57.508 55.803 0.211 0.000 0.866 665 Q CB -0.168 28.717 28.738 0.245 0.000 0.915 665 Q HN 0.142 nan 8.270 nan 0.000 0.440 666 K N 1.091 121.427 120.400 -0.106 0.000 2.025 666 K HA -0.115 4.205 4.320 0.001 0.000 0.207 666 K C 1.780 178.358 176.600 -0.036 0.000 1.049 666 K CA 1.331 57.522 56.287 -0.161 0.000 0.933 666 K CB -0.396 31.914 32.500 -0.317 0.000 0.714 666 K HN 0.060 nan 8.250 nan 0.000 0.438 667 V N 0.937 120.845 119.914 -0.009 0.000 2.307 667 V HA -0.151 3.970 4.120 0.001 0.000 0.245 667 V C 2.161 178.283 176.094 0.047 0.000 1.045 667 V CA 1.850 64.155 62.300 0.009 0.000 1.024 667 V CB -0.786 31.034 31.823 -0.005 0.000 0.651 667 V HN 0.339 nan 8.190 nan 0.000 0.449 668 F N 0.789 120.736 119.950 -0.004 0.000 2.091 668 F HA -0.219 4.308 4.527 0.000 0.000 0.299 668 F C 1.981 177.832 175.800 0.083 0.000 1.103 668 F CA 1.840 59.874 58.000 0.056 0.000 1.228 668 F CB -0.309 38.788 39.000 0.161 0.000 0.984 668 F HN 0.037 nan 8.300 nan 0.000 0.477 669 L N -0.290 120.845 121.223 -0.146 0.000 2.179 669 L HA -0.103 4.238 4.340 0.001 0.000 0.208 669 L C 2.363 179.115 176.870 -0.197 0.000 1.096 669 L CA 1.165 55.862 54.840 -0.237 0.000 0.779 669 L CB -0.625 41.429 42.059 -0.009 0.000 0.922 669 L HN 0.160 nan 8.230 nan 0.000 0.443 670 E N -0.144 119.987 120.200 -0.116 0.000 2.107 670 E HA -0.232 4.119 4.350 0.001 0.000 0.191 670 E C 1.984 178.536 176.600 -0.080 0.000 0.982 670 E CA 0.800 57.156 56.400 -0.074 0.000 0.809 670 E CB 0.146 29.825 29.700 -0.036 0.000 0.756 670 E HN 0.419 nan 8.360 nan 0.000 0.459 671 E N 0.717 120.855 120.200 -0.104 0.000 2.072 671 E HA -0.187 4.163 4.350 0.001 0.000 0.191 671 E C 2.179 178.720 176.600 -0.100 0.000 0.985 671 E CA 0.457 56.812 56.400 -0.075 0.000 0.801 671 E CB 0.057 29.735 29.700 -0.037 0.000 0.750 671 E HN 0.102 nan 8.360 nan 0.000 0.452 672 L N 0.448 121.499 121.223 -0.286 0.000 2.079 672 L HA -0.166 4.174 4.340 0.001 0.000 0.210 672 L C 2.135 178.939 176.870 -0.110 0.000 1.081 672 L CA 1.522 56.218 54.840 -0.240 0.000 0.752 672 L CB -0.111 41.618 42.059 -0.550 0.000 0.896 672 L HN 0.232 nan 8.230 nan 0.000 0.433 673 M N -1.184 118.343 119.600 -0.122 0.000 2.541 673 M HA 0.118 4.598 4.480 0.001 0.000 0.252 673 M C 2.279 178.560 176.300 -0.032 0.000 1.125 673 M CA 0.939 56.190 55.300 -0.081 0.000 1.091 673 M CB -1.176 31.364 32.600 -0.100 0.000 1.420 673 M HN 0.410 nan 8.290 nan 0.000 0.486 674 A N 1.644 124.451 122.820 -0.021 0.000 1.940 674 A HA -0.172 4.149 4.320 0.001 0.000 0.221 674 A C -0.373 177.233 177.584 0.037 0.000 1.190 674 A CA 1.901 53.944 52.037 0.009 0.000 0.647 674 A CB -2.070 16.936 19.000 0.010 0.000 0.821 674 A HN 0.334 nan 8.150 nan 0.000 0.457 675 P HA -0.027 nan 4.420 nan 0.000 0.219 675 P C 1.560 178.932 177.300 0.121 0.000 1.150 675 P CA 0.922 64.075 63.100 0.088 0.000 0.814 675 P CB -0.076 31.688 31.700 0.107 0.000 0.787 676 V N 0.485 120.458 119.914 0.099 0.000 2.307 676 V HA -0.220 3.900 4.120 0.001 0.000 0.245 676 V C 2.512 178.653 176.094 0.078 0.000 1.045 676 V CA 2.136 64.475 62.300 0.065 0.000 1.024 676 V CB -1.710 30.043 31.823 -0.116 0.000 0.651 676 V HN 0.081 nan 8.190 nan 0.000 0.449 677 A N -0.012 122.838 122.820 0.050 0.000 1.917 677 A HA -0.276 4.044 4.320 0.001 0.000 0.219 677 A C 2.479 180.144 177.584 0.135 0.000 1.182 677 A CA 2.553 54.647 52.037 0.095 0.000 0.633 677 A CB -0.879 18.154 19.000 0.054 0.000 0.819 677 A HN 0.529 nan 8.150 nan 0.000 0.448 678 S N -0.225 115.540 115.700 0.107 0.000 2.365 678 S HA -0.167 4.303 4.470 0.001 0.000 0.225 678 S C 1.751 176.426 174.600 0.125 0.000 1.039 678 S CA 1.775 60.036 58.200 0.101 0.000 1.033 678 S CB -0.511 62.738 63.200 0.082 0.000 0.887 678 S HN 0.578 nan 8.310 nan 0.000 0.447 679 I N -0.412 120.257 120.570 0.165 0.000 2.617 679 I HA -0.068 4.102 4.170 0.001 0.000 0.256 679 I C 2.184 178.431 176.117 0.217 0.000 1.167 679 I CA 0.708 62.116 61.300 0.180 0.000 1.469 679 I CB -0.166 37.965 38.000 0.218 0.000 1.098 679 I HN 0.438 nan 8.210 nan 0.000 0.436 680 W N 1.511 122.817 121.300 0.010 0.000 2.480 680 W HA 0.022 4.683 4.660 0.000 0.000 0.299 680 W C 1.676 178.179 176.519 -0.026 0.000 1.187 680 W CA 0.682 58.015 57.345 -0.020 0.000 1.347 680 W CB 0.208 29.646 29.460 -0.036 0.000 1.121 680 W HN 0.016 nan 8.180 nan 0.000 0.533 681 L N 2.171 123.476 121.223 0.137 0.000 2.627 681 L HA 0.001 4.341 4.340 0.001 0.000 0.233 681 L C 1.312 178.196 176.870 0.023 0.000 1.144 681 L CA -0.032 54.828 54.840 0.033 0.000 0.892 681 L CB -0.935 41.175 42.059 0.086 0.000 1.039 681 L HN -0.157 nan 8.230 nan 0.000 0.442 682 S N -1.266 114.451 115.700 0.027 0.000 2.579 682 S HA -0.031 4.439 4.470 0.001 0.000 0.275 682 S C 0.968 175.579 174.600 0.019 0.000 1.345 682 S CA -0.409 57.809 58.200 0.029 0.000 1.031 682 S CB 1.498 64.722 63.200 0.040 0.000 0.892 682 S HN 0.292 nan 8.310 nan 0.000 0.529 683 Q N 0.886 120.700 119.800 0.023 0.000 2.050 683 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 683 Q C 1.429 177.433 176.000 0.006 0.000 0.980 683 Q CA 2.279 58.092 55.803 0.016 0.000 0.840 683 Q CB -0.381 28.357 28.738 0.000 0.000 0.898 683 Q HN 1.018 nan 8.270 nan 0.000 0.424 684 D N -0.396 120.005 120.400 0.003 0.000 2.224 684 D HA -0.176 4.465 4.640 0.001 0.000 0.205 684 D C 1.754 178.033 176.300 -0.034 0.000 0.965 684 D CA 0.698 54.695 54.000 -0.004 0.000 0.852 684 D CB -0.279 40.532 40.800 0.018 0.000 0.947 684 D HN 0.164 nan 8.370 nan 0.000 0.494 685 M N 0.291 119.856 119.600 -0.059 0.000 2.067 685 M HA -0.142 4.338 4.480 0.001 0.000 0.260 685 M C 2.052 178.247 176.300 -0.174 0.000 1.069 685 M CA 1.487 56.688 55.300 -0.165 0.000 1.117 685 M CB -0.831 31.668 32.600 -0.168 0.000 1.334 685 M HN 0.107 nan 8.290 nan 0.000 0.407 686 H N 0.221 119.148 119.070 -0.238 0.000 2.278 686 H HA -0.289 4.268 4.556 0.001 0.000 0.287 686 H C 2.254 177.489 175.328 -0.155 0.000 1.107 686 H CA 2.745 58.667 56.048 -0.210 0.000 1.192 686 H CB -0.459 29.216 29.762 -0.146 0.000 1.346 686 H HN 0.441 nan 8.280 nan 0.000 0.478 687 R N -0.192 120.352 120.500 0.073 0.000 2.096 687 R HA -0.076 4.264 4.340 0.001 0.000 0.235 687 R C 2.616 178.930 176.300 0.022 0.000 1.127 687 R CA 1.440 57.553 56.100 0.022 0.000 0.968 687 R CB -0.266 30.021 30.300 -0.021 0.000 0.861 687 R HN 0.184 nan 8.270 nan 0.000 0.440 688 V N 1.007 120.902 119.914 -0.033 0.000 2.407 688 V HA -0.227 3.893 4.120 0.001 0.000 0.248 688 V C 2.183 178.319 176.094 0.069 0.000 1.055 688 V CA 1.640 63.915 62.300 -0.042 0.000 1.049 688 V CB -0.301 31.335 31.823 -0.313 0.000 0.662 688 V HN 0.369 nan 8.190 nan 0.000 0.455 689 L N -0.785 120.406 121.223 -0.054 0.000 2.240 689 L HA -0.044 4.297 4.340 0.001 0.000 0.211 689 L C 2.310 179.121 176.870 -0.097 0.000 1.106 689 L CA 1.125 55.901 54.840 -0.107 0.000 0.793 689 L CB -0.285 41.560 42.059 -0.357 0.000 0.927 689 L HN 0.308 nan 8.230 nan 0.000 0.446 690 S N -2.178 113.513 115.700 -0.016 0.000 2.502 690 S HA 0.025 4.495 4.470 0.001 0.000 0.228 690 S C 0.604 175.203 174.600 -0.001 0.000 1.061 690 S CA -0.096 58.106 58.200 0.004 0.000 0.935 690 S CB 0.271 63.541 63.200 0.117 0.000 0.809 690 S HN 0.295 nan 8.310 nan 0.000 0.510 691 D N 1.287 121.704 120.400 0.028 0.000 2.177 691 D HA 0.260 4.900 4.640 0.001 0.000 0.247 691 D C 1.137 177.475 176.300 0.064 0.000 1.063 691 D CA -0.180 53.840 54.000 0.034 0.000 0.867 691 D CB 2.016 42.839 40.800 0.039 0.000 1.168 691 D HN -0.061 nan 8.370 nan 0.000 0.445 692 V N 3.189 123.128 119.914 0.041 0.000 2.427 692 V HA -0.154 3.966 4.120 0.001 0.000 0.248 692 V C 1.811 177.993 176.094 0.147 0.000 1.051 692 V CA 1.233 63.575 62.300 0.070 0.000 1.048 692 V CB -0.276 31.562 31.823 0.026 0.000 0.666 692 V HN 0.573 nan 8.190 nan 0.000 0.456 693 D N 0.551 121.012 120.400 0.102 0.000 2.162 693 D HA -0.021 4.619 4.640 0.001 0.000 0.203 693 D C 2.303 178.671 176.300 0.113 0.000 0.967 693 D CA 1.477 55.535 54.000 0.096 0.000 0.840 693 D CB 0.010 40.847 40.800 0.061 0.000 0.972 693 D HN 0.432 nan 8.370 nan 0.000 0.482 694 A N 0.847 123.734 122.820 0.113 0.000 1.883 694 A HA -0.208 4.112 4.320 0.001 0.000 0.217 694 A C 2.078 179.761 177.584 0.164 0.000 1.186 694 A CA 1.127 53.232 52.037 0.113 0.000 0.624 694 A CB -1.003 18.048 19.000 0.085 0.000 0.822 694 A HN 0.234 nan 8.150 nan 0.000 0.444 695 F N 0.232 120.206 119.950 0.039 0.000 2.060 695 F HA -0.110 4.417 4.527 0.001 0.000 0.295 695 F C 2.028 177.894 175.800 0.110 0.000 1.120 695 F CA 1.800 59.837 58.000 0.060 0.000 1.205 695 F CB -0.269 38.751 39.000 0.034 0.000 0.986 695 F HN 0.153 nan 8.300 nan 0.000 0.470 696 I N 0.203 120.950 120.570 0.296 0.000 2.315 696 I HA -0.373 3.797 4.170 0.001 0.000 0.251 696 I C 2.519 178.667 176.117 0.052 0.000 1.125 696 I CA 1.157 62.562 61.300 0.174 0.000 1.392 696 I CB -0.725 37.374 38.000 0.165 0.000 1.065 696 I HN 0.304 nan 8.210 nan 0.000 0.424 697 A N -0.038 122.821 122.820 0.063 0.000 1.840 697 A HA -0.270 4.050 4.320 0.001 0.000 0.214 697 A C 2.236 179.817 177.584 -0.005 0.000 1.198 697 A CA 1.329 53.387 52.037 0.036 0.000 0.608 697 A CB -1.188 17.848 19.000 0.061 0.000 0.839 697 A HN 0.429 nan 8.150 nan 0.000 0.443 698 Y N 0.800 121.016 120.300 -0.139 0.000 2.173 698 Y HA -0.279 4.271 4.550 0.001 0.000 0.282 698 Y C 2.371 178.106 175.900 -0.275 0.000 1.192 698 Y CA 2.474 60.456 58.100 -0.196 0.000 1.176 698 Y CB -0.014 38.304 38.460 -0.238 0.000 0.969 698 Y HN 0.227 nan 8.280 nan 0.000 0.519 699 V N -3.906 115.882 119.914 -0.209 0.000 3.471 699 V HA 0.474 4.595 4.120 0.001 0.000 0.258 699 V C 1.348 177.255 176.094 -0.312 0.000 1.192 699 V CA 0.753 62.845 62.300 -0.347 0.000 1.116 699 V CB -0.086 31.480 31.823 -0.428 0.000 0.792 699 V HN 0.565 nan 8.190 nan 0.000 0.459 700 G N 1.054 109.737 108.800 -0.195 0.000 2.215 700 G HA2 -0.199 3.761 3.960 0.001 0.000 0.198 700 G HA3 -0.199 3.761 3.960 0.001 0.000 0.198 700 G C 0.359 175.148 174.900 -0.183 0.000 1.047 700 G CA 0.508 45.500 45.100 -0.180 0.000 0.747 700 G HN 0.851 nan 8.290 nan 0.000 0.495 701 T N -1.649 112.891 114.554 -0.023 0.000 3.037 701 T HA 0.177 4.528 4.350 0.001 0.000 0.251 701 T C 1.721 176.572 174.700 0.251 0.000 1.079 701 T CA 1.153 63.349 62.100 0.161 0.000 1.067 701 T CB 0.027 68.993 68.868 0.165 0.000 0.948 701 T HN 0.490 nan 8.240 nan 0.000 0.496 702 D N 2.146 122.632 120.400 0.144 0.000 2.350 702 D HA -0.111 4.530 4.640 0.001 0.000 0.216 702 D C 0.894 177.271 176.300 0.127 0.000 0.968 702 D CA 0.465 54.535 54.000 0.116 0.000 0.894 702 D CB -0.356 40.488 40.800 0.072 0.000 0.909 702 D HN 0.683 nan 8.370 nan 0.000 0.520 703 Q N -0.990 118.925 119.800 0.192 0.000 2.365 703 Q HA 0.481 4.822 4.340 0.001 0.000 0.269 703 Q C -0.722 175.376 176.000 0.164 0.000 1.061 703 Q CA -1.150 54.743 55.803 0.150 0.000 0.816 703 Q CB 2.302 31.102 28.738 0.104 0.000 1.325 703 Q HN -0.175 nan 8.270 nan 0.000 0.446 708 P HA 0.210 nan 4.420 nan 0.000 0.245 708 P C 1.077 178.385 177.300 0.013 0.000 1.212 708 P CA 0.401 63.496 63.100 -0.008 0.000 0.774 708 P CB 0.577 32.257 31.700 -0.032 0.000 0.999 709 G N -0.422 108.389 108.800 0.019 0.000 4.100 709 G HA2 0.252 4.213 3.960 0.001 0.000 0.294 709 G HA3 0.252 4.213 3.960 0.001 0.000 0.294 709 G C -0.514 174.404 174.900 0.030 0.000 1.040 709 G CA -0.048 45.072 45.100 0.033 0.000 0.829 709 G HN 0.249 nan 8.290 nan 0.000 0.505 710 L N 1.180 122.420 121.223 0.028 0.000 2.504 710 L HA 0.393 4.733 4.340 0.001 0.000 0.249 710 L C 1.702 178.579 176.870 0.013 0.000 1.120 710 L CA -0.495 54.353 54.840 0.012 0.000 0.997 710 L CB 0.609 42.667 42.059 -0.001 0.000 1.349 710 L HN 0.244 nan 8.230 nan 0.000 0.439 711 E N 1.189 121.399 120.200 0.016 0.000 2.106 711 E HA -0.242 4.109 4.350 0.001 0.000 0.192 711 E C 0.429 176.987 176.600 -0.070 0.000 0.984 711 E CA 1.667 58.055 56.400 -0.020 0.000 0.806 711 E CB 0.207 29.880 29.700 -0.045 0.000 0.750 711 E HN 0.801 nan 8.360 nan 0.000 0.458 712 D N 0.822 121.187 120.400 -0.060 0.000 3.436 712 D HA -0.259 4.382 4.640 0.001 0.000 0.497 712 D C -1.009 175.228 176.300 -0.106 0.000 0.593 712 D CA 3.396 57.355 54.000 -0.070 0.000 1.443 712 D CB -2.082 38.688 40.800 -0.049 0.000 0.420 712 D HN 0.387 nan 8.370 nan 0.000 0.305 713 P HA 0.039 nan 4.420 nan 0.000 0.223 713 P C 1.158 178.324 177.300 -0.223 0.000 1.151 713 P CA 1.138 64.147 63.100 -0.152 0.000 0.787 713 P CB -0.094 31.523 31.700 -0.139 0.000 0.788 714 C N -0.011 119.153 119.300 -0.226 0.000 2.446 714 C HA 0.009 4.470 4.460 0.001 0.000 0.277 714 C C 3.154 177.935 174.990 -0.347 0.000 1.275 714 C CA 1.474 60.306 59.018 -0.309 0.000 1.727 714 C CB -1.938 25.634 27.740 -0.280 0.000 2.010 714 C HN 0.280 nan 8.230 nan 0.000 0.486 715 G N 0.315 108.954 108.800 -0.268 0.000 2.469 715 G HA2 -0.251 3.709 3.960 0.001 0.000 0.219 715 G HA3 -0.251 3.709 3.960 0.001 0.000 0.219 715 G C 1.525 176.289 174.900 -0.227 0.000 1.150 715 G CA 1.099 46.050 45.100 -0.248 0.000 0.763 715 G HN 0.475 nan 8.290 nan 0.000 0.561 716 L N 0.784 121.889 121.223 -0.196 0.000 2.156 716 L HA 0.097 4.437 4.340 0.001 0.000 0.208 716 L C 2.372 179.148 176.870 -0.158 0.000 1.095 716 L CA 1.359 56.110 54.840 -0.148 0.000 0.770 716 L CB -0.451 41.534 42.059 -0.124 0.000 0.914 716 L HN 0.063 nan 8.230 nan 0.000 0.439 717 N N 0.722 119.251 118.700 -0.284 0.000 2.025 717 N HA -0.231 4.509 4.740 0.001 0.000 0.194 717 N C 1.767 177.219 175.510 -0.096 0.000 1.044 717 N CA 1.860 54.683 53.050 -0.378 0.000 0.851 717 N CB -0.498 37.351 38.487 -1.063 0.000 1.036 717 N HN 0.458 nan 8.380 nan 0.000 0.422 718 R N 0.512 120.822 120.500 -0.317 0.000 2.357 718 R HA 0.190 4.530 4.340 0.001 0.000 0.202 718 R C 1.259 177.435 176.300 -0.207 0.000 1.047 718 R CA 0.986 56.804 56.100 -0.470 0.000 1.034 718 R CB -0.010 29.534 30.300 -1.261 0.000 0.875 718 R HN 0.133 nan 8.270 nan 0.000 0.473 719 A N 0.675 123.456 122.820 -0.065 0.000 2.085 719 A HA 0.139 4.460 4.320 0.001 0.000 0.208 719 A C 2.060 179.749 177.584 0.174 0.000 1.191 719 A CA 0.012 52.087 52.037 0.064 0.000 0.799 719 A CB -0.059 18.946 19.000 0.008 0.000 0.877 719 A HN 0.319 nan 8.150 nan 0.000 0.473 720 R N -0.855 119.741 120.500 0.160 0.000 2.090 720 R HA 0.099 4.439 4.340 0.001 0.000 0.228 720 R C 2.135 178.630 176.300 0.324 0.000 1.110 720 R CA 1.398 57.646 56.100 0.247 0.000 0.973 720 R CB -0.241 30.182 30.300 0.204 0.000 0.869 720 R HN 0.549 nan 8.270 nan 0.000 0.440 721 M N -0.267 119.517 119.600 0.307 0.000 2.156 721 M HA -0.118 4.363 4.480 0.001 0.000 0.264 721 M C 1.695 178.164 176.300 0.282 0.000 1.067 721 M CA 1.628 57.129 55.300 0.334 0.000 1.131 721 M CB 0.121 32.919 32.600 0.329 0.000 1.368 721 M HN 0.140 nan 8.290 nan 0.000 0.416 722 S N 0.821 116.693 115.700 0.286 0.000 2.370 722 S HA -0.195 4.275 4.470 0.001 0.000 0.226 722 S C 1.506 176.212 174.600 0.177 0.000 1.033 722 S CA 1.602 59.889 58.200 0.145 0.000 1.011 722 S CB -0.728 62.623 63.200 0.252 0.000 0.852 722 S HN 0.597 nan 8.310 nan 0.000 0.457 723 F N 2.022 122.085 119.950 0.188 0.000 2.091 723 F HA -0.248 4.280 4.527 0.001 0.000 0.299 723 F C 2.365 178.206 175.800 0.067 0.000 1.103 723 F CA 0.979 59.085 58.000 0.176 0.000 1.228 723 F CB -0.868 38.198 39.000 0.110 0.000 0.984 723 F HN 0.220 nan 8.300 nan 0.000 0.477 724 C N -0.709 118.453 119.300 -0.230 0.000 2.440 724 C HA -0.094 4.367 4.460 0.001 0.000 0.278 724 C C 2.861 177.488 174.990 -0.605 0.000 1.295 724 C CA 0.913 59.635 59.018 -0.494 0.000 1.738 724 C CB -1.170 26.365 27.740 -0.342 0.000 1.987 724 C HN 0.406 nan 8.230 nan 0.000 0.492 725 V N -0.633 119.009 119.914 -0.454 0.000 2.307 725 V HA -0.248 3.872 4.120 0.001 0.000 0.245 725 V C 2.039 177.922 176.094 -0.350 0.000 1.045 725 V CA 1.945 63.975 62.300 -0.450 0.000 1.024 725 V CB -0.934 30.699 31.823 -0.317 0.000 0.651 725 V HN 0.572 nan 8.190 nan 0.000 0.449 726 Y N 0.768 120.911 120.300 -0.261 0.000 2.165 726 Y HA -0.263 4.287 4.550 0.001 0.000 0.286 726 Y C 2.846 178.571 175.900 -0.292 0.000 1.155 726 Y CA 1.587 59.554 58.100 -0.221 0.000 1.164 726 Y CB -0.106 38.268 38.460 -0.143 0.000 0.978 726 Y HN 0.247 nan 8.280 nan 0.000 0.513 727 S N 0.083 115.614 115.700 -0.282 0.000 2.371 727 S HA -0.138 4.332 4.470 0.001 0.000 0.224 727 S C 1.893 176.324 174.600 -0.281 0.000 1.029 727 S CA 1.185 59.181 58.200 -0.341 0.000 0.978 727 S CB -0.353 62.503 63.200 -0.574 0.000 0.833 727 S HN 0.355 nan 8.310 nan 0.000 0.466 728 I N 1.428 121.790 120.570 -0.347 0.000 2.252 728 I HA -0.139 4.032 4.170 0.001 0.000 0.245 728 I C 2.320 178.301 176.117 -0.226 0.000 1.102 728 I CA 0.971 62.078 61.300 -0.321 0.000 1.385 728 I CB -0.268 37.469 38.000 -0.439 0.000 1.064 728 I HN 0.246 nan 8.210 nan 0.000 0.414 729 L N 0.623 121.722 121.223 -0.206 0.000 2.093 729 L HA -0.104 4.237 4.340 0.001 0.000 0.208 729 L C 2.436 179.232 176.870 -0.123 0.000 1.085 729 L CA 1.653 56.403 54.840 -0.149 0.000 0.755 729 L CB -0.606 41.376 42.059 -0.128 0.000 0.904 729 L HN 0.255 nan 8.230 nan 0.000 0.435 730 G N -0.687 108.044 108.800 -0.114 0.000 2.421 730 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 730 G HA3 -0.215 3.745 3.960 0.001 0.000 0.216 730 G C 1.473 176.322 174.900 -0.086 0.000 1.171 730 G CA 0.996 46.041 45.100 -0.091 0.000 0.775 730 G HN 0.303 nan 8.290 nan 0.000 0.543 731 V N 0.547 120.402 119.914 -0.097 0.000 2.307 731 V HA -0.155 3.965 4.120 0.001 0.000 0.245 731 V C 3.027 179.072 176.094 -0.081 0.000 1.045 731 V CA 1.447 63.704 62.300 -0.073 0.000 1.024 731 V CB -0.496 31.277 31.823 -0.083 0.000 0.651 731 V HN 0.240 nan 8.190 nan 0.000 0.449 732 V N -0.050 119.800 119.914 -0.107 0.000 2.295 732 V HA -0.319 3.801 4.120 0.001 0.000 0.246 732 V C 2.433 178.456 176.094 -0.117 0.000 1.049 732 V CA 2.442 64.673 62.300 -0.115 0.000 1.024 732 V CB -0.720 31.017 31.823 -0.144 0.000 0.648 732 V HN 0.511 nan 8.190 nan 0.000 0.447 733 K N -0.491 119.841 120.400 -0.113 0.000 2.103 733 K HA -0.170 4.150 4.320 0.001 0.000 0.207 733 K C 2.212 178.737 176.600 -0.124 0.000 1.048 733 K CA 1.265 57.484 56.287 -0.114 0.000 0.930 733 K CB 0.043 32.482 32.500 -0.103 0.000 0.716 733 K HN 0.266 nan 8.250 nan 0.000 0.444 734 R N -0.387 120.047 120.500 -0.110 0.000 2.282 734 R HA 0.099 4.439 4.340 0.001 0.000 0.195 734 R C 0.178 176.398 176.300 -0.133 0.000 0.909 734 R CA 0.275 56.306 56.100 -0.115 0.000 1.039 734 R CB 0.357 30.609 30.300 -0.080 0.000 1.015 734 R HN 0.051 nan 8.270 nan 0.000 0.513 735 T N 0.811 115.296 114.554 -0.115 0.000 2.884 735 T HA 0.197 4.547 4.350 0.001 0.000 0.298 735 T C -0.055 174.518 174.700 -0.212 0.000 0.998 735 T CA 0.212 62.252 62.100 -0.100 0.000 1.124 735 T CB 1.075 69.932 68.868 -0.019 0.000 0.931 735 T HN 0.100 nan 8.240 nan 0.000 0.531 736 C N 4.522 123.676 119.300 -0.244 0.000 2.931 736 C HA 0.558 5.018 4.460 0.001 0.000 0.370 736 C C -1.095 173.578 174.990 -0.529 0.000 1.071 736 C CA -1.532 57.176 59.018 -0.517 0.000 1.266 736 C CB 0.045 27.445 27.740 -0.567 0.000 1.691 736 C HN 1.084 nan 8.230 nan 0.000 0.511 737 W N 4.156 125.152 121.300 -0.507 0.000 2.126 737 W HA 0.568 5.229 4.660 0.001 0.000 0.346 737 W C -2.516 173.605 176.519 -0.662 0.000 1.279 737 W CA -2.524 54.203 57.345 -1.029 0.000 1.259 737 W CB -1.081 27.776 29.460 -1.006 0.000 1.133 737 W HN 0.422 nan 8.180 nan 0.000 0.592 738 P HA -0.085 nan 4.420 nan 0.000 0.262 738 P C 0.941 178.186 177.300 -0.091 0.000 1.182 738 P CA 0.624 63.627 63.100 -0.163 0.000 0.761 738 P CB 0.839 32.544 31.700 0.009 0.000 0.795 739 T N 0.903 115.380 114.554 -0.129 0.000 3.035 739 T HA -0.102 4.249 4.350 0.001 0.000 0.268 739 T C 0.358 175.065 174.700 0.012 0.000 1.109 739 T CA 0.683 62.726 62.100 -0.096 0.000 1.119 739 T CB -0.663 68.132 68.868 -0.121 0.000 0.900 739 T HN 0.442 nan 8.240 nan 0.000 0.503 740 D N 0.512 120.937 120.400 0.042 0.000 2.280 740 D HA 0.218 4.859 4.640 0.001 0.000 0.243 740 D C 1.293 177.682 176.300 0.148 0.000 1.129 740 D CA -0.314 53.737 54.000 0.084 0.000 0.848 740 D CB 0.603 41.444 40.800 0.069 0.000 1.107 740 D HN 0.095 nan 8.370 nan 0.000 0.471 741 L N 3.368 124.701 121.223 0.183 0.000 1.965 741 L HA -0.240 4.100 4.340 0.001 0.000 0.226 741 L C 1.967 178.960 176.870 0.205 0.000 1.083 741 L CA 1.654 56.639 54.840 0.242 0.000 0.790 741 L CB -0.269 41.927 42.059 0.229 0.000 0.898 741 L HN 0.583 nan 8.230 nan 0.000 0.439 742 E N -0.029 120.262 120.200 0.153 0.000 2.253 742 E HA -0.323 4.028 4.350 0.001 0.000 0.202 742 E C 1.927 178.613 176.600 0.143 0.000 1.014 742 E CA 1.898 58.377 56.400 0.131 0.000 0.823 742 E CB -0.046 29.712 29.700 0.097 0.000 0.736 742 E HN 0.547 nan 8.360 nan 0.000 0.478 743 E N -1.678 118.616 120.200 0.157 0.000 2.190 743 E HA 0.072 4.423 4.350 0.001 0.000 0.191 743 E C 1.812 178.569 176.600 0.262 0.000 0.978 743 E CA 0.572 57.075 56.400 0.172 0.000 0.839 743 E CB -0.044 29.738 29.700 0.138 0.000 0.787 743 E HN 0.309 nan 8.360 nan 0.000 0.473 744 A N 1.294 124.296 122.820 0.302 0.000 1.969 744 A HA -0.157 4.163 4.320 0.001 0.000 0.218 744 A C 1.898 179.757 177.584 0.457 0.000 1.169 744 A CA 1.096 53.409 52.037 0.460 0.000 0.635 744 A CB -0.187 19.095 19.000 0.471 0.000 0.810 744 A HN 0.053 nan 8.150 nan 0.000 0.445 745 K N -0.240 120.328 120.400 0.280 0.000 2.002 745 K HA -0.102 4.219 4.320 0.001 0.000 0.209 745 K C 2.296 178.981 176.600 0.142 0.000 1.048 745 K CA 1.281 57.672 56.287 0.173 0.000 0.930 745 K CB -0.366 32.219 32.500 0.142 0.000 0.714 745 K HN 0.416 nan 8.250 nan 0.000 0.438 746 A N 0.920 123.832 122.820 0.154 0.000 2.019 746 A HA -0.073 4.247 4.320 0.001 0.000 0.219 746 A C 2.143 179.779 177.584 0.086 0.000 1.164 746 A CA 1.794 53.896 52.037 0.108 0.000 0.644 746 A CB -0.616 18.448 19.000 0.108 0.000 0.805 746 A HN 0.450 nan 8.150 nan 0.000 0.449 747 G N -1.748 107.132 108.800 0.134 0.000 3.042 747 G HA2 0.403 4.363 3.960 0.001 0.000 0.212 747 G HA3 0.403 4.363 3.960 0.001 0.000 0.212 747 G C 0.912 175.653 174.900 -0.265 0.000 1.166 747 G CA 0.482 45.586 45.100 0.005 0.000 0.767 747 G HN 1.598 nan 8.290 nan 0.000 0.546 748 G N -0.636 108.066 108.800 -0.163 0.000 2.470 748 G HA2 -0.233 3.728 3.960 0.001 0.000 0.286 748 G HA3 -0.233 3.728 3.960 0.001 0.000 0.286 748 G C 0.247 174.933 174.900 -0.357 0.000 1.115 748 G CA 0.118 45.090 45.100 -0.214 0.000 1.122 748 G HN 0.322 nan 8.290 nan 0.000 0.522 749 F N -0.718 119.245 119.950 0.022 0.000 2.619 749 F HA 0.322 4.849 4.527 0.001 0.000 0.281 749 F C 1.740 177.478 175.800 -0.104 0.000 1.065 749 F CA 0.317 58.354 58.000 0.061 0.000 1.304 749 F CB 0.654 39.815 39.000 0.268 0.000 1.059 749 F HN 0.311 nan 8.300 nan 0.000 0.648 750 V N 2.212 122.136 119.914 0.017 0.000 2.450 750 V HA 0.041 4.161 4.120 0.001 0.000 0.281 750 V C 0.692 176.586 176.094 -0.333 0.000 1.019 750 V CA 0.223 62.339 62.300 -0.306 0.000 1.062 750 V CB 1.023 32.647 31.823 -0.331 0.000 0.979 750 V HN 0.153 nan 8.190 nan 0.000 0.477 751 V N 6.551 126.228 119.914 -0.395 0.000 2.685 751 V HA 0.444 4.564 4.120 0.001 0.000 0.244 751 V C 1.272 177.196 176.094 -0.284 0.000 1.054 751 V CA 1.482 63.607 62.300 -0.292 0.000 1.076 751 V CB -0.285 31.397 31.823 -0.234 0.000 0.725 751 V HN 1.112 nan 8.190 nan 0.000 0.467 752 G N -1.878 106.674 108.800 -0.412 0.000 2.474 752 G HA2 0.428 4.388 3.960 0.001 0.000 0.234 752 G HA3 0.428 4.388 3.960 0.001 0.000 0.234 752 G C -2.083 172.406 174.900 -0.686 0.000 1.204 752 G CA -0.526 44.336 45.100 -0.397 0.000 0.939 752 G HN 0.023 nan 8.290 nan 0.000 0.491 753 Y N -0.136 120.089 120.300 -0.125 0.000 2.524 753 Y HA 0.596 5.147 4.550 0.001 0.000 0.347 753 Y C 0.752 176.601 175.900 -0.085 0.000 1.005 753 Y CA -0.806 57.222 58.100 -0.120 0.000 1.025 753 Y CB 2.056 40.459 38.460 -0.094 0.000 1.275 753 Y HN 0.513 nan 8.280 nan 0.000 0.460 754 T N 0.618 115.219 114.554 0.079 0.000 2.788 754 T HA -0.101 4.249 4.350 0.001 0.000 0.333 754 T C 1.429 176.149 174.700 0.033 0.000 1.090 754 T CA 0.825 62.945 62.100 0.034 0.000 1.094 754 T CB 0.785 69.666 68.868 0.022 0.000 0.999 754 T HN 0.879 nan 8.240 nan 0.000 0.549 755 S N 0.938 116.641 115.700 0.004 0.000 2.372 755 S HA -0.164 4.306 4.470 0.001 0.000 0.227 755 S C 2.294 176.893 174.600 -0.002 0.000 1.044 755 S CA 2.151 60.348 58.200 -0.005 0.000 1.050 755 S CB -0.490 62.699 63.200 -0.019 0.000 0.901 755 S HN 0.627 nan 8.310 nan 0.000 0.447 756 S N -0.547 115.154 115.700 0.003 0.000 2.481 756 S HA 0.271 4.741 4.470 0.001 0.000 0.231 756 S C 1.030 175.636 174.600 0.010 0.000 0.996 756 S CA 1.053 59.257 58.200 0.005 0.000 0.942 756 S CB -0.422 62.784 63.200 0.011 0.000 0.768 756 S HN 1.362 nan 8.310 nan 0.000 0.520 757 G N 1.598 110.413 108.800 0.027 0.000 2.309 757 G HA2 -0.142 3.818 3.960 0.001 0.000 0.183 757 G HA3 -0.142 3.818 3.960 0.001 0.000 0.183 757 G C -0.698 174.257 174.900 0.092 0.000 1.063 757 G CA -0.531 44.586 45.100 0.027 0.000 0.768 757 G HN 0.406 nan 8.290 nan 0.000 0.490 758 N N 0.787 119.561 118.700 0.123 0.000 2.362 758 N HA 0.613 5.353 4.740 0.001 0.000 0.298 758 N C -2.649 172.918 175.510 0.095 0.000 1.048 758 N CA -1.502 51.631 53.050 0.138 0.000 0.858 758 N CB 2.199 40.747 38.487 0.102 0.000 1.218 758 N HN 0.064 nan 8.380 nan 0.000 0.488 759 P HA 0.226 nan 4.420 nan 0.000 0.272 759 P C -0.380 176.463 177.300 -0.762 0.000 1.223 759 P CA -0.101 62.700 63.100 -0.499 0.000 0.784 759 P CB 0.842 32.189 31.700 -0.589 0.000 0.923 760 I N 2.275 122.327 120.570 -0.864 0.000 2.389 760 I HA 0.342 4.512 4.170 0.001 0.000 0.288 760 I C -0.144 175.482 176.117 -0.819 0.000 0.999 760 I CA -0.451 60.484 61.300 -0.608 0.000 1.129 760 I CB 0.355 38.165 38.000 -0.317 0.000 1.288 760 I HN 0.217 nan 8.210 nan 0.000 0.444 761 F N 5.521 125.197 119.950 -0.458 0.000 2.422 761 F HA 0.530 5.057 4.527 0.001 0.000 0.333 761 F C 0.862 176.397 175.800 -0.441 0.000 1.095 761 F CA -0.744 56.845 58.000 -0.685 0.000 1.038 761 F CB 1.110 39.072 39.000 -1.730 0.000 1.156 761 F HN 0.431 nan 8.300 nan 0.000 0.483 762 R N 2.759 123.224 120.500 -0.058 0.000 2.532 762 R HA 0.405 4.745 4.340 0.001 0.000 0.295 762 R C -1.489 175.101 176.300 0.484 0.000 0.968 762 R CA -0.588 55.585 56.100 0.122 0.000 0.916 762 R CB 1.507 31.806 30.300 -0.001 0.000 1.124 762 R HN 0.736 nan 8.270 nan 0.000 0.463 763 N N 3.101 122.130 118.700 0.549 0.000 2.399 763 N HA 0.269 5.009 4.740 0.001 0.000 0.295 763 N C -2.085 173.720 175.510 0.491 0.000 1.048 763 N CA -1.985 51.447 53.050 0.637 0.000 0.886 763 N CB 2.159 40.962 38.487 0.527 0.000 1.185 763 N HN 0.301 nan 8.380 nan 0.000 0.487 764 P HA -0.046 nan 4.420 nan 0.000 0.223 764 P C 1.061 178.361 177.300 0.001 0.000 1.144 764 P CA 0.953 63.991 63.100 -0.103 0.000 0.783 764 P CB 0.040 31.698 31.700 -0.071 0.000 0.771 765 C N -4.963 114.386 119.300 0.082 0.000 2.791 765 C HA 0.247 4.708 4.460 0.001 0.000 0.270 765 C C 2.188 177.206 174.990 0.047 0.000 1.257 765 C CA -0.052 58.989 59.018 0.038 0.000 1.699 765 C CB -1.721 26.028 27.740 0.016 0.000 1.904 765 C HN 0.111 nan 8.230 nan 0.000 0.603 766 T N 1.288 115.903 114.554 0.103 0.000 2.652 766 T HA -0.217 4.133 4.350 0.001 0.000 0.267 766 T C 1.759 176.509 174.700 0.083 0.000 1.039 766 T CA 2.248 64.412 62.100 0.106 0.000 1.153 766 T CB -0.369 68.597 68.868 0.163 0.000 0.863 766 T HN 0.729 nan 8.240 nan 0.000 0.428 767 E N 0.207 120.463 120.200 0.094 0.000 2.118 767 E HA -0.239 4.111 4.350 0.001 0.000 0.195 767 E C 2.340 178.968 176.600 0.047 0.000 0.992 767 E CA 1.165 57.610 56.400 0.075 0.000 0.804 767 E CB -0.011 29.737 29.700 0.080 0.000 0.741 767 E HN 0.294 nan 8.360 nan 0.000 0.458 768 Q N 0.231 120.048 119.800 0.028 0.000 2.163 768 Q HA -0.052 4.288 4.340 0.001 0.000 0.198 768 Q C 1.926 177.921 176.000 -0.008 0.000 0.954 768 Q CA 1.020 56.826 55.803 0.005 0.000 0.851 768 Q CB 0.021 28.749 28.738 -0.017 0.000 0.928 768 Q HN 0.271 nan 8.270 nan 0.000 0.459 769 I N 0.168 120.729 120.570 -0.014 0.000 2.277 769 I HA -0.177 3.993 4.170 0.001 0.000 0.243 769 I C 2.174 178.290 176.117 -0.003 0.000 1.094 769 I CA 0.820 62.095 61.300 -0.042 0.000 1.393 769 I CB -1.096 36.863 38.000 -0.069 0.000 1.078 769 I HN 0.242 nan 8.210 nan 0.000 0.417 770 L N 0.796 122.037 121.223 0.031 0.000 2.081 770 L HA -0.243 4.097 4.340 0.001 0.000 0.212 770 L C 2.459 179.368 176.870 0.065 0.000 1.080 770 L CA 1.482 56.361 54.840 0.066 0.000 0.754 770 L CB -0.630 41.480 42.059 0.085 0.000 0.893 770 L HN 0.250 nan 8.230 nan 0.000 0.433 771 K N 0.019 120.453 120.400 0.056 0.000 2.360 771 K HA -0.129 4.191 4.320 0.001 0.000 0.201 771 K C 1.676 178.336 176.600 0.100 0.000 1.046 771 K CA 0.978 57.304 56.287 0.066 0.000 0.940 771 K CB -0.072 32.463 32.500 0.058 0.000 0.748 771 K HN 0.380 nan 8.250 nan 0.000 0.465 772 L N 0.081 121.368 121.223 0.107 0.000 2.664 772 L HA 0.094 4.435 4.340 0.001 0.000 0.233 772 L C 1.878 178.896 176.870 0.248 0.000 1.113 772 L CA -0.127 54.852 54.840 0.232 0.000 0.896 772 L CB -0.041 42.057 42.059 0.066 0.000 1.163 772 L HN 0.085 nan 8.230 nan 0.000 0.497 773 L N 0.443 121.740 121.223 0.123 0.000 2.012 773 L HA -0.246 4.095 4.340 0.001 0.000 0.210 773 L C 2.078 178.992 176.870 0.073 0.000 1.073 773 L CA 1.634 56.534 54.840 0.100 0.000 0.748 773 L CB -0.203 41.920 42.059 0.108 0.000 0.891 773 L HN 0.415 nan 8.230 nan 0.000 0.431 774 D N -0.246 120.178 120.400 0.039 0.000 2.149 774 D HA -0.193 4.447 4.640 0.001 0.000 0.198 774 D C 1.638 177.869 176.300 -0.116 0.000 0.990 774 D CA 1.316 55.295 54.000 -0.034 0.000 0.839 774 D CB -0.342 40.427 40.800 -0.051 0.000 0.948 774 D HN 0.567 nan 8.370 nan 0.000 0.460 775 N N 0.559 119.184 118.700 -0.125 0.000 2.457 775 N HA -0.029 4.711 4.740 0.001 0.000 0.180 775 N C 2.044 177.451 175.510 -0.171 0.000 1.050 775 N CA 0.028 52.864 53.050 -0.356 0.000 0.906 775 N CB 0.422 38.426 38.487 -0.805 0.000 0.968 775 N HN 0.212 nan 8.380 nan 0.000 0.445 776 L N 1.080 122.374 121.223 0.119 0.000 2.049 776 L HA -0.020 4.320 4.340 0.001 0.000 0.203 776 L C 2.170 179.002 176.870 -0.062 0.000 1.074 776 L CA 0.795 55.732 54.840 0.162 0.000 0.749 776 L CB -0.104 42.028 42.059 0.122 0.000 0.907 776 L HN 0.051 nan 8.230 nan 0.000 0.439 777 L N -0.493 120.681 121.223 -0.083 0.000 2.083 777 L HA -0.191 4.149 4.340 0.001 0.000 0.209 777 L C 2.795 179.582 176.870 -0.139 0.000 1.083 777 L CA 0.979 55.742 54.840 -0.129 0.000 0.752 777 L CB -0.924 41.092 42.059 -0.071 0.000 0.899 777 L HN 0.312 nan 8.230 nan 0.000 0.433 778 A N 0.738 123.472 122.820 -0.144 0.000 1.849 778 A HA -0.286 4.035 4.320 0.001 0.000 0.217 778 A C 2.251 179.727 177.584 -0.179 0.000 1.202 778 A CA 2.291 54.227 52.037 -0.168 0.000 0.629 778 A CB -0.984 17.867 19.000 -0.247 0.000 0.834 778 A HN 0.353 nan 8.150 nan 0.000 0.447 779 L N -0.063 121.046 121.223 -0.190 0.000 2.042 779 L HA -0.157 4.183 4.340 0.001 0.000 0.210 779 L C 2.251 179.013 176.870 -0.180 0.000 1.076 779 L CA 1.955 56.691 54.840 -0.174 0.000 0.749 779 L CB -0.513 41.510 42.059 -0.060 0.000 0.893 779 L HN 0.464 nan 8.230 nan 0.000 0.432 780 I N -0.454 119.983 120.570 -0.223 0.000 2.151 780 I HA -0.358 3.813 4.170 0.001 0.000 0.243 780 I C 2.818 178.812 176.117 -0.204 0.000 1.080 780 I CA 1.874 62.974 61.300 -0.333 0.000 1.339 780 I CB -0.408 37.258 38.000 -0.556 0.000 1.039 780 I HN 0.383 nan 8.210 nan 0.000 0.409 781 R N 0.642 121.044 120.500 -0.165 0.000 2.070 781 R HA -0.178 4.163 4.340 0.001 0.000 0.233 781 R C 2.305 178.556 176.300 -0.083 0.000 1.137 781 R CA 2.433 58.472 56.100 -0.101 0.000 0.945 781 R CB -0.479 29.771 30.300 -0.085 0.000 0.845 781 R HN 0.288 nan 8.270 nan 0.000 0.430 782 T N -0.324 114.146 114.554 -0.141 0.000 2.665 782 T HA -0.250 4.100 4.350 0.001 0.000 0.268 782 T C 1.676 176.263 174.700 -0.188 0.000 1.035 782 T CA 1.949 63.926 62.100 -0.204 0.000 1.151 782 T CB -0.637 68.011 68.868 -0.367 0.000 0.862 782 T HN 0.576 nan 8.240 nan 0.000 0.438 783 H N 0.908 119.809 119.070 -0.282 0.000 2.353 783 H HA 0.016 4.572 4.556 0.001 0.000 0.300 783 H C 2.402 177.784 175.328 0.091 0.000 1.090 783 H CA 1.279 57.237 56.048 -0.151 0.000 1.327 783 H CB -0.069 29.668 29.762 -0.042 0.000 1.383 783 H HN 0.393 nan 8.280 nan 0.000 0.508 784 N N -0.872 117.994 118.700 0.276 0.000 2.188 784 N HA -0.125 4.615 4.740 0.001 0.000 0.184 784 N C 1.437 177.112 175.510 0.275 0.000 1.018 784 N CA 1.463 54.706 53.050 0.323 0.000 0.858 784 N CB 0.089 38.658 38.487 0.137 0.000 0.989 784 N HN 0.343 nan 8.380 nan 0.000 0.426 785 T N 1.328 115.952 114.554 0.118 0.000 2.833 785 T HA -0.085 4.265 4.350 0.001 0.000 0.269 785 T C 1.782 176.511 174.700 0.049 0.000 1.054 785 T CA 0.612 62.750 62.100 0.063 0.000 1.135 785 T CB -0.175 68.695 68.868 0.004 0.000 0.869 785 T HN 0.091 nan 8.240 nan 0.000 0.466 786 L N 0.134 121.356 121.223 -0.002 0.000 2.447 786 L HA -0.037 4.304 4.340 0.001 0.000 0.225 786 L C 1.613 178.380 176.870 -0.172 0.000 1.148 786 L CA 1.355 56.120 54.840 -0.124 0.000 0.808 786 L CB -0.746 41.157 42.059 -0.260 0.000 0.928 786 L HN 0.359 nan 8.230 nan 0.000 0.448 787 Y N -0.879 119.423 120.300 0.004 0.000 2.523 787 Y HA 0.279 4.829 4.550 0.001 0.000 0.279 787 Y C 1.643 177.537 175.900 -0.010 0.000 1.139 787 Y CA -0.144 57.950 58.100 -0.009 0.000 1.296 787 Y CB -0.332 38.120 38.460 -0.013 0.000 1.045 787 Y HN 0.049 nan 8.280 nan 0.000 0.538 788 A N 2.070 124.956 122.820 0.110 0.000 2.546 788 A HA 0.022 4.342 4.320 0.001 0.000 0.243 788 A C -1.306 176.302 177.584 0.040 0.000 1.063 788 A CA -0.986 51.088 52.037 0.062 0.000 0.757 788 A CB -0.047 18.977 19.000 0.040 0.000 0.991 788 A HN 0.132 nan 8.150 nan 0.000 0.503 789 P HA -0.184 nan 4.420 nan 0.000 0.220 789 P C 1.014 178.324 177.300 0.018 0.000 1.148 789 P CA 1.481 64.598 63.100 0.028 0.000 0.803 789 P CB 0.081 31.797 31.700 0.027 0.000 0.782 790 E N -1.105 119.105 120.200 0.018 0.000 2.511 790 E HA -0.037 4.314 4.350 0.001 0.000 0.196 790 E C 1.365 177.973 176.600 0.013 0.000 1.066 790 E CA 0.662 57.070 56.400 0.015 0.000 0.871 790 E CB -0.397 29.312 29.700 0.015 0.000 0.863 790 E HN 0.200 nan 8.360 nan 0.000 0.520 791 M N 0.022 119.627 119.600 0.008 0.000 2.691 791 M HA 0.133 4.614 4.480 0.001 0.000 0.261 791 M C 2.197 178.491 176.300 -0.011 0.000 1.227 791 M CA 0.311 55.612 55.300 0.001 0.000 1.197 791 M CB -0.688 31.909 32.600 -0.006 0.000 1.294 791 M HN 0.132 nan 8.290 nan 0.000 0.508 792 L N 0.912 122.121 121.223 -0.024 0.000 2.191 792 L HA -0.047 4.293 4.340 0.001 0.000 0.212 792 L C 2.267 179.132 176.870 -0.008 0.000 1.103 792 L CA 1.297 56.114 54.840 -0.038 0.000 0.769 792 L CB -0.372 41.667 42.059 -0.033 0.000 0.908 792 L HN 0.271 nan 8.230 nan 0.000 0.438 793 A N -1.574 121.249 122.820 0.005 0.000 2.178 793 A HA -0.047 4.273 4.320 0.001 0.000 0.211 793 A C 2.057 179.651 177.584 0.018 0.000 1.157 793 A CA 0.490 52.535 52.037 0.012 0.000 0.780 793 A CB -0.271 18.736 19.000 0.012 0.000 0.828 793 A HN 0.366 nan 8.150 nan 0.000 0.476 794 K N -0.595 119.817 120.400 0.020 0.000 2.486 794 K HA 0.172 4.492 4.320 0.001 0.000 0.194 794 K C 0.329 176.957 176.600 0.046 0.000 1.033 794 K CA 0.158 56.464 56.287 0.031 0.000 1.004 794 K CB -0.065 32.455 32.500 0.032 0.000 0.798 794 K HN 0.510 nan 8.250 nan 0.000 0.495 795 M N 0.523 120.150 119.600 0.046 0.000 2.227 795 M HA 0.213 4.693 4.480 0.001 0.000 0.316 795 M C 0.077 176.426 176.300 0.081 0.000 1.144 795 M CA -0.532 54.819 55.300 0.085 0.000 1.121 795 M CB 1.053 33.707 32.600 0.090 0.000 1.440 795 M HN -0.017 nan 8.290 nan 0.000 0.473 796 A N 0.766 123.659 122.820 0.121 0.000 2.293 796 A HA 0.225 4.545 4.320 0.001 0.000 0.302 796 A C 0.748 178.314 177.584 -0.030 0.000 1.119 796 A CA -0.505 51.560 52.037 0.047 0.000 0.823 796 A CB 0.488 19.524 19.000 0.060 0.000 1.097 796 A HN 0.993 nan 8.150 nan 0.000 0.491 797 E N 0.920 121.073 120.200 -0.079 0.000 2.118 797 E HA -0.145 4.205 4.350 0.001 0.000 0.195 797 E C -0.799 175.683 176.600 -0.195 0.000 0.992 797 E CA 1.876 58.217 56.400 -0.099 0.000 0.804 797 E CB -0.733 28.919 29.700 -0.080 0.000 0.741 797 E HN 0.614 nan 8.360 nan 0.000 0.458 798 P HA -0.180 nan 4.420 nan 0.000 0.218 798 P C -0.080 176.832 177.300 -0.646 0.000 1.152 798 P CA 1.292 63.965 63.100 -0.713 0.000 0.857 798 P CB 0.065 30.955 31.700 -1.351 0.000 0.787 799 F N -3.116 116.852 119.950 0.030 0.000 2.761 799 F HA 0.308 4.835 4.527 0.001 0.000 0.367 799 F C 1.495 177.310 175.800 0.026 0.000 1.386 799 F CA -0.439 57.589 58.000 0.046 0.000 1.177 799 F CB -0.749 38.292 39.000 0.068 0.000 1.092 799 F HN -0.251 nan 8.300 nan 0.000 0.517 800 T N -0.497 114.129 114.554 0.121 0.000 3.051 800 T HA 0.045 4.395 4.350 0.001 0.000 0.255 800 T C 1.336 176.070 174.700 0.058 0.000 1.085 800 T CA 0.968 63.109 62.100 0.068 0.000 1.109 800 T CB 0.027 68.912 68.868 0.029 0.000 0.921 800 T HN 0.198 nan 8.240 nan 0.000 0.488 801 K N 1.102 121.551 120.400 0.082 0.000 2.814 801 K HA 0.461 4.781 4.320 0.001 0.000 0.213 801 K C 1.529 178.190 176.600 0.102 0.000 1.113 801 K CA -0.136 56.195 56.287 0.075 0.000 1.145 801 K CB 0.558 33.099 32.500 0.068 0.000 0.948 801 K HN 0.167 nan 8.250 nan 0.000 0.464 802 A N 0.549 123.430 122.820 0.102 0.000 1.972 802 A HA -0.103 4.217 4.320 0.001 0.000 0.219 802 A C 1.446 179.052 177.584 0.036 0.000 1.169 802 A CA 1.316 53.433 52.037 0.134 0.000 0.635 802 A CB -0.009 19.058 19.000 0.111 0.000 0.810 802 A HN 0.258 nan 8.150 nan 0.000 0.446 803 L N -0.000 121.168 121.223 -0.091 0.000 2.857 803 L HA 0.282 4.622 4.340 0.001 0.000 0.249 803 L C -0.318 176.664 176.870 0.186 0.000 1.172 803 L CA -0.056 54.739 54.840 -0.075 0.000 0.980 803 L CB 0.104 41.954 42.059 -0.349 0.000 1.299 803 L HN 0.158 nan 8.230 nan 0.000 0.535 804 D N -0.724 119.756 120.400 0.134 0.000 2.432 804 D HA 0.322 4.962 4.640 0.001 0.000 0.258 804 D C 0.290 176.563 176.300 -0.045 0.000 1.146 804 D CA -0.356 53.702 54.000 0.097 0.000 1.015 804 D CB 1.052 41.887 40.800 0.058 0.000 1.107 804 D HN -0.062 nan 8.370 nan 0.000 0.529 805 M N 0.782 120.198 119.600 -0.308 0.000 2.233 805 M HA 0.131 4.611 4.480 0.001 0.000 0.350 805 M C -0.340 175.882 176.300 -0.130 0.000 1.176 805 M CA -0.550 54.538 55.300 -0.353 0.000 1.150 805 M CB 0.623 32.877 32.600 -0.577 0.000 1.530 805 M HN 0.087 nan 8.290 nan 0.000 0.459 806 L N 2.910 124.097 121.223 -0.060 0.000 2.426 806 L HA 0.005 4.345 4.340 0.001 0.000 0.271 806 L C 0.907 177.767 176.870 -0.018 0.000 1.169 806 L CA 0.432 55.271 54.840 -0.002 0.000 0.836 806 L CB 0.224 42.302 42.059 0.031 0.000 1.112 806 L HN 0.632 nan 8.230 nan 0.000 0.465 807 D N 1.353 121.755 120.400 0.002 0.000 2.219 807 D HA -0.126 4.514 4.640 0.001 0.000 0.205 807 D C 2.011 178.314 176.300 0.004 0.000 0.970 807 D CA 1.256 55.256 54.000 0.000 0.000 0.851 807 D CB 0.000 40.808 40.800 0.013 0.000 0.943 807 D HN 0.691 nan 8.370 nan 0.000 0.488 808 A N 1.112 123.940 122.820 0.014 0.000 1.884 808 A HA -0.298 4.022 4.320 0.001 0.000 0.219 808 A C 1.943 179.533 177.584 0.009 0.000 1.197 808 A CA 1.748 53.796 52.037 0.018 0.000 0.637 808 A CB -0.678 18.338 19.000 0.027 0.000 0.827 808 A HN 0.254 nan 8.150 nan 0.000 0.450 809 E N -0.949 119.249 120.200 -0.004 0.000 2.482 809 E HA -0.050 4.300 4.350 0.001 0.000 0.196 809 E C 1.778 178.361 176.600 -0.028 0.000 1.047 809 E CA 0.438 56.830 56.400 -0.013 0.000 0.869 809 E CB 0.063 29.743 29.700 -0.033 0.000 0.836 809 E HN 0.602 nan 8.360 nan 0.000 0.520 810 K N 0.334 120.716 120.400 -0.031 0.000 2.054 810 K HA -0.030 4.291 4.320 0.001 0.000 0.207 810 K C 2.409 179.004 176.600 -0.007 0.000 1.031 810 K CA 1.119 57.386 56.287 -0.032 0.000 0.952 810 K CB -0.068 32.411 32.500 -0.036 0.000 0.775 810 K HN 0.017 nan 8.250 nan 0.000 0.447 811 S N 1.510 117.211 115.700 0.002 0.000 2.419 811 S HA -0.157 4.313 4.470 0.001 0.000 0.235 811 S C 2.178 176.788 174.600 0.017 0.000 1.019 811 S CA 1.019 59.226 58.200 0.012 0.000 0.982 811 S CB -0.433 62.777 63.200 0.016 0.000 0.789 811 S HN 0.316 nan 8.310 nan 0.000 0.490 812 A N 3.296 126.125 122.820 0.015 0.000 1.852 812 A HA -0.112 4.208 4.320 0.001 0.000 0.217 812 A C 2.293 179.892 177.584 0.024 0.000 1.215 812 A CA 2.018 54.068 52.037 0.022 0.000 0.641 812 A CB -1.108 17.905 19.000 0.021 0.000 0.838 812 A HN 1.027 nan 8.150 nan 0.000 0.450 813 I N -3.188 117.394 120.570 0.020 0.000 3.684 813 I HA 0.207 4.378 4.170 0.001 0.000 0.304 813 I C 1.005 177.137 176.117 0.025 0.000 1.278 813 I CA 0.489 61.804 61.300 0.026 0.000 1.272 813 I CB -0.010 38.006 38.000 0.026 0.000 1.029 813 I HN 0.172 nan 8.210 nan 0.000 0.458 814 L N 1.505 122.741 121.223 0.022 0.000 2.628 814 L HA 0.417 4.758 4.340 0.001 0.000 0.229 814 L C 1.730 178.618 176.870 0.029 0.000 1.137 814 L CA 0.578 55.433 54.840 0.024 0.000 0.909 814 L CB -0.160 41.911 42.059 0.019 0.000 1.137 814 L HN 0.596 nan 8.230 nan 0.000 0.470 815 G N 1.193 110.012 108.800 0.031 0.000 2.220 815 G HA2 -0.340 3.620 3.960 0.001 0.000 0.269 815 G HA3 -0.340 3.620 3.960 0.001 0.000 0.269 815 G C 0.286 175.207 174.900 0.035 0.000 0.977 815 G CA 0.395 45.516 45.100 0.035 0.000 0.634 815 G HN 0.277 nan 8.290 nan 0.000 0.539 816 L N 3.183 124.425 121.223 0.031 0.000 2.623 816 L HA 0.508 4.849 4.340 0.001 0.000 0.281 816 L C -1.048 175.841 176.870 0.032 0.000 1.150 816 L CA -1.806 53.052 54.840 0.031 0.000 0.965 816 L CB -0.151 41.924 42.059 0.026 0.000 1.303 816 L HN 0.035 nan 8.230 nan 0.000 0.467 817 P HA 0.157 nan 4.420 nan 0.000 0.280 817 P C -0.972 176.347 177.300 0.033 0.000 1.278 817 P CA -0.300 62.821 63.100 0.036 0.000 0.787 817 P CB 0.424 32.149 31.700 0.043 0.000 1.163 818 Q N -0.426 119.393 119.800 0.032 0.000 2.433 818 Q HA 0.497 4.837 4.340 0.001 0.000 0.279 818 Q C -2.163 173.852 176.000 0.024 0.000 1.105 818 Q CA -1.480 54.339 55.803 0.027 0.000 0.815 818 Q CB 1.001 29.755 28.738 0.025 0.000 1.403 818 Q HN 0.427 nan 8.270 nan 0.000 0.435 819 P HA 0.397 nan 4.420 nan 0.000 0.282 819 P C -0.859 176.442 177.300 0.002 0.000 1.259 819 P CA -0.541 62.564 63.100 0.009 0.000 0.826 819 P CB 0.819 32.522 31.700 0.005 0.000 1.064 820 L N 2.095 123.310 121.223 -0.013 0.000 2.302 820 L HA 0.176 4.516 4.340 0.001 0.000 0.285 820 L C 0.225 177.071 176.870 -0.040 0.000 1.090 820 L CA -0.698 54.128 54.840 -0.024 0.000 0.866 820 L CB -0.181 41.852 42.059 -0.043 0.000 1.244 820 L HN 0.228 nan 8.230 nan 0.000 0.435 821 L N 2.561 123.771 121.223 -0.021 0.000 2.485 821 L HA 0.029 4.370 4.340 0.001 0.000 0.275 821 L C 0.696 177.556 176.870 -0.017 0.000 1.207 821 L CA 0.394 55.220 54.840 -0.022 0.000 0.855 821 L CB 0.029 42.077 42.059 -0.019 0.000 1.114 821 L HN 0.456 nan 8.230 nan 0.000 0.485 822 E N 1.755 121.946 120.200 -0.016 0.000 2.360 822 E HA 0.086 4.437 4.350 0.001 0.000 0.269 822 E C 0.551 177.166 176.600 0.024 0.000 1.022 822 E CA 0.104 56.518 56.400 0.023 0.000 0.887 822 E CB 0.611 30.325 29.700 0.024 0.000 0.990 822 E HN 0.491 nan 8.360 nan 0.000 0.426 823 L N 3.242 124.499 121.223 0.056 0.000 2.376 823 L HA -0.039 4.302 4.340 0.001 0.000 0.219 823 L C 0.739 177.595 176.870 -0.022 0.000 1.133 823 L CA 0.455 55.298 54.840 0.006 0.000 0.816 823 L CB -0.366 41.686 42.059 -0.012 0.000 0.933 823 L HN 0.493 nan 8.230 nan 0.000 0.449 824 N N -0.336 118.356 118.700 -0.013 0.000 2.370 824 N HA 0.025 4.766 4.740 0.001 0.000 0.198 824 N C -0.571 174.929 175.510 -0.017 0.000 1.156 824 N CA 0.313 53.351 53.050 -0.019 0.000 0.839 824 N CB 0.042 38.521 38.487 -0.014 0.000 0.989 824 N HN 0.252 nan 8.380 nan 0.000 0.468 825 D N -1.566 118.816 120.400 -0.029 0.000 2.738 825 D HA 0.328 4.968 4.640 0.001 0.000 0.237 825 D C -0.845 175.394 176.300 -0.102 0.000 1.123 825 D CA -0.663 53.309 54.000 -0.046 0.000 0.856 825 D CB 1.157 41.938 40.800 -0.032 0.000 1.552 825 D HN -0.020 nan 8.370 nan 0.000 0.480 826 S N 2.014 117.610 115.700 -0.174 0.000 2.078 826 S HA 0.364 4.835 4.470 0.001 0.000 0.168 826 S C -2.104 172.125 174.600 -0.619 0.000 1.542 826 S CA -0.920 57.064 58.200 -0.361 0.000 1.223 826 S CB 1.014 63.978 63.200 -0.395 0.000 1.152 826 S HN 0.296 nan 8.310 nan 0.000 0.452 827 P HA 0.054 nan 4.420 nan 0.000 0.214 827 P C 0.336 177.549 177.300 -0.145 0.000 1.167 827 P CA 0.431 63.437 63.100 -0.157 0.000 0.882 827 P CB -0.168 31.519 31.700 -0.022 0.000 0.777 828 V N 2.144 121.988 119.914 -0.117 0.000 2.416 828 V HA -0.055 4.065 4.120 0.001 0.000 0.267 828 V C 0.467 176.476 176.094 -0.142 0.000 1.007 828 V CA 0.543 62.822 62.300 -0.035 0.000 1.102 828 V CB -2.171 29.646 31.823 -0.011 0.000 1.035 828 V HN -0.117 nan 8.190 nan 0.000 0.473 829 F N 3.645 123.609 119.950 0.022 0.000 2.385 829 F HA 0.425 4.952 4.527 0.001 0.000 0.336 829 F C 0.857 176.673 175.800 0.027 0.000 1.100 829 F CA -0.942 57.072 58.000 0.022 0.000 1.116 829 F CB 0.974 39.986 39.000 0.020 0.000 1.166 829 F HN 0.207 nan 8.300 nan 0.000 0.511 830 K N 2.327 122.843 120.400 0.192 0.000 2.121 830 K HA 0.119 4.440 4.320 0.001 0.000 0.235 830 K C -0.236 176.438 176.600 0.123 0.000 1.200 830 K CA -0.011 56.349 56.287 0.122 0.000 1.115 830 K CB -0.928 31.620 32.500 0.081 0.000 1.474 830 K HN 0.544 nan 8.250 nan 0.000 0.295 831 T N 0.274 114.906 114.554 0.129 0.000 2.860 831 T HA -0.155 4.196 4.350 0.001 0.000 0.295 831 T C 1.596 176.368 174.700 0.120 0.000 1.041 831 T CA 0.163 62.334 62.100 0.118 0.000 1.132 831 T CB 0.647 69.584 68.868 0.115 0.000 1.072 831 T HN 0.302 nan 8.240 nan 0.000 0.504 832 V N 3.308 123.307 119.914 0.142 0.000 2.490 832 V HA -0.104 4.016 4.120 0.001 0.000 0.250 832 V C 1.973 178.192 176.094 0.208 0.000 1.061 832 V CA 1.939 64.338 62.300 0.165 0.000 1.064 832 V CB -0.455 31.518 31.823 0.250 0.000 0.670 832 V HN 0.772 nan 8.190 nan 0.000 0.461 833 L N -0.053 121.341 121.223 0.286 0.000 2.068 833 L HA 0.012 4.352 4.340 0.001 0.000 0.204 833 L C 2.479 179.470 176.870 0.202 0.000 1.076 833 L CA 1.889 56.918 54.840 0.314 0.000 0.753 833 L CB -0.797 41.433 42.059 0.284 0.000 0.910 833 L HN 0.259 nan 8.230 nan 0.000 0.439 834 E N -0.214 120.079 120.200 0.155 0.000 2.153 834 E HA -0.251 4.100 4.350 0.001 0.000 0.194 834 E C 2.295 178.968 176.600 0.121 0.000 0.988 834 E CA 0.744 57.221 56.400 0.128 0.000 0.811 834 E CB -0.112 29.651 29.700 0.105 0.000 0.746 834 E HN 0.325 nan 8.360 nan 0.000 0.466 835 R N 0.514 121.075 120.500 0.101 0.000 2.075 835 R HA 0.010 4.351 4.340 0.001 0.000 0.232 835 R C 2.284 178.627 176.300 0.072 0.000 1.126 835 R CA 1.310 57.449 56.100 0.066 0.000 0.963 835 R CB -0.199 30.113 30.300 0.020 0.000 0.858 835 R HN 0.131 nan 8.270 nan 0.000 0.435 836 M N -0.802 118.843 119.600 0.075 0.000 2.193 836 M HA -0.079 4.402 4.480 0.001 0.000 0.265 836 M C 2.326 178.825 176.300 0.332 0.000 1.071 836 M CA 1.455 56.823 55.300 0.114 0.000 1.140 836 M CB -0.242 32.414 32.600 0.095 0.000 1.369 836 M HN 0.168 nan 8.290 nan 0.000 0.423 837 Q N 0.483 120.468 119.800 0.308 0.000 2.112 837 Q HA -0.250 4.090 4.340 0.001 0.000 0.206 837 Q C 2.073 178.235 176.000 0.269 0.000 0.987 837 Q CA 1.923 57.912 55.803 0.310 0.000 0.858 837 Q CB -0.013 28.845 28.738 0.200 0.000 0.905 837 Q HN 0.215 nan 8.270 nan 0.000 0.420 838 R N -0.472 120.154 120.500 0.209 0.000 2.075 838 R HA -0.148 4.192 4.340 0.001 0.000 0.232 838 R C 1.860 178.281 176.300 0.201 0.000 1.126 838 R CA 1.536 57.744 56.100 0.180 0.000 0.963 838 R CB -0.671 29.718 30.300 0.148 0.000 0.858 838 R HN 0.366 nan 8.270 nan 0.000 0.435 839 F N 0.129 120.095 119.950 0.027 0.000 2.046 839 F HA -0.169 4.358 4.527 0.001 0.000 0.297 839 F C 1.546 177.333 175.800 -0.020 0.000 1.123 839 F CA 1.714 59.669 58.000 -0.074 0.000 1.199 839 F CB -0.797 38.043 39.000 -0.266 0.000 0.972 839 F HN 0.021 nan 8.300 nan 0.000 0.474 840 F N 0.835 120.718 119.950 -0.112 0.000 2.063 840 F HA -0.300 4.227 4.527 0.001 0.000 0.298 840 F C 2.747 178.615 175.800 0.113 0.000 1.109 840 F CA 1.909 59.872 58.000 -0.062 0.000 1.212 840 F CB -1.268 37.819 39.000 0.144 0.000 0.973 840 F HN -0.048 nan 8.300 nan 0.000 0.480 841 S N -0.637 115.247 115.700 0.306 0.000 2.374 841 S HA -0.209 4.261 4.470 0.001 0.000 0.227 841 S C 1.982 176.701 174.600 0.197 0.000 1.037 841 S CA 1.928 60.275 58.200 0.246 0.000 1.024 841 S CB -0.741 62.573 63.200 0.191 0.000 0.861 841 S HN 0.420 nan 8.310 nan 0.000 0.456 842 T N 2.157 116.771 114.554 0.099 0.000 2.851 842 T HA 0.108 4.459 4.350 0.001 0.000 0.262 842 T C 1.790 176.459 174.700 -0.051 0.000 1.043 842 T CA 0.700 62.825 62.100 0.041 0.000 1.140 842 T CB -0.395 68.491 68.868 0.031 0.000 0.872 842 T HN 0.181 nan 8.240 nan 0.000 0.446 843 L N 0.369 121.495 121.223 -0.162 0.000 2.042 843 L HA -0.060 4.280 4.340 0.001 0.000 0.210 843 L C 2.172 179.034 176.870 -0.013 0.000 1.076 843 L CA 1.664 56.395 54.840 -0.181 0.000 0.749 843 L CB -0.679 41.141 42.059 -0.397 0.000 0.893 843 L HN 0.273 nan 8.230 nan 0.000 0.432 844 Y N 0.663 120.962 120.300 -0.002 0.000 2.049 844 Y HA -0.322 4.229 4.550 0.001 0.000 0.277 844 Y C 2.482 178.396 175.900 0.023 0.000 1.143 844 Y CA 2.373 60.410 58.100 -0.105 0.000 1.115 844 Y CB -0.237 38.177 38.460 -0.077 0.000 0.975 844 Y HN 0.318 nan 8.280 nan 0.000 0.487 845 E N -0.275 120.103 120.200 0.297 0.000 2.160 845 E HA -0.225 4.126 4.350 0.001 0.000 0.195 845 E C 1.771 178.478 176.600 0.178 0.000 0.991 845 E CA 1.267 57.822 56.400 0.258 0.000 0.810 845 E CB -0.174 29.698 29.700 0.286 0.000 0.742 845 E HN 0.491 nan 8.360 nan 0.000 0.466 846 N N -0.014 118.714 118.700 0.047 0.000 2.270 846 N HA -0.078 4.662 4.740 0.001 0.000 0.181 846 N C 1.585 177.041 175.510 -0.090 0.000 1.016 846 N CA 0.675 53.715 53.050 -0.017 0.000 0.870 846 N CB -0.385 37.990 38.487 -0.187 0.000 0.979 846 N HN 0.180 nan 8.380 nan 0.000 0.431 847 C N -0.011 119.157 119.300 -0.220 0.000 2.432 847 C HA -0.026 4.434 4.460 0.001 0.000 0.277 847 C C 2.399 177.151 174.990 -0.397 0.000 1.249 847 C CA 0.305 59.102 59.018 -0.367 0.000 1.725 847 C CB -1.432 25.982 27.740 -0.543 0.000 2.028 847 C HN 0.371 nan 8.230 nan 0.000 0.477 848 F N -0.441 119.324 119.950 -0.307 0.000 2.216 848 F HA -0.174 4.353 4.527 0.001 0.000 0.300 848 F C 2.692 178.425 175.800 -0.110 0.000 1.085 848 F CA 1.472 59.278 58.000 -0.323 0.000 1.326 848 F CB -0.570 38.202 39.000 -0.379 0.000 1.027 848 F HN 0.429 nan 8.300 nan 0.000 0.497 849 H N 0.263 119.367 119.070 0.057 0.000 2.353 849 H HA -0.136 4.420 4.556 0.001 0.000 0.300 849 H C 2.378 177.694 175.328 -0.019 0.000 1.090 849 H CA 1.982 58.052 56.048 0.036 0.000 1.327 849 H CB -0.382 29.380 29.762 -0.000 0.000 1.383 849 H HN 0.265 nan 8.280 nan 0.000 0.508 850 I N 0.487 121.087 120.570 0.050 0.000 2.208 850 I HA -0.293 3.877 4.170 0.001 0.000 0.245 850 I C 2.526 178.591 176.117 -0.087 0.000 1.097 850 I CA 0.946 62.205 61.300 -0.068 0.000 1.363 850 I CB -0.275 37.637 38.000 -0.146 0.000 1.051 850 I HN 0.133 nan 8.210 nan 0.000 0.413 851 L N 0.284 121.497 121.223 -0.017 0.000 2.072 851 L HA -0.075 4.266 4.340 0.001 0.000 0.205 851 L C 2.760 179.780 176.870 0.251 0.000 1.079 851 L CA 1.363 56.271 54.840 0.114 0.000 0.752 851 L CB -1.243 40.920 42.059 0.173 0.000 0.906 851 L HN 0.320 nan 8.230 nan 0.000 0.436 852 G N 0.224 109.210 108.800 0.310 0.000 2.469 852 G HA2 -0.254 3.706 3.960 0.001 0.000 0.219 852 G HA3 -0.254 3.706 3.960 0.001 0.000 0.219 852 G C 1.685 176.587 174.900 0.004 0.000 1.150 852 G CA 0.671 45.871 45.100 0.167 0.000 0.763 852 G HN 0.177 nan 8.290 nan 0.000 0.561 853 K N 0.606 120.975 120.400 -0.050 0.000 2.400 853 K HA 0.309 4.629 4.320 0.001 0.000 0.194 853 K C 2.697 179.149 176.600 -0.247 0.000 1.033 853 K CA 0.686 56.888 56.287 -0.142 0.000 1.021 853 K CB 0.071 32.514 32.500 -0.095 0.000 0.808 853 K HN 0.276 nan 8.250 nan 0.000 0.505 854 A N 1.350 123.943 122.820 -0.378 0.000 1.877 854 A HA -0.075 4.245 4.320 0.001 0.000 0.216 854 A C 2.372 179.567 177.584 -0.649 0.000 1.186 854 A CA 2.027 53.618 52.037 -0.742 0.000 0.620 854 A CB -1.066 17.061 19.000 -1.455 0.000 0.822 854 A HN 0.327 nan 8.150 nan 0.000 0.443 855 G N 0.228 108.785 108.800 -0.405 0.000 2.545 855 G HA2 -0.186 3.774 3.960 0.001 0.000 0.217 855 G HA3 -0.186 3.774 3.960 0.001 0.000 0.217 855 G C -0.328 174.636 174.900 0.107 0.000 1.218 855 G CA 1.404 46.459 45.100 -0.074 0.000 0.787 855 G HN 0.522 nan 8.290 nan 0.000 0.571 856 P HA 0.042 nan 4.420 nan 0.000 0.223 856 P C 2.059 179.381 177.300 0.036 0.000 1.151 856 P CA 1.412 64.453 63.100 -0.099 0.000 0.787 856 P CB 0.162 31.310 31.700 -0.919 0.000 0.788 857 S N -1.190 114.485 115.700 -0.042 0.000 2.348 857 S HA -0.014 4.457 4.470 0.001 0.000 0.219 857 S C 1.783 176.501 174.600 0.198 0.000 1.033 857 S CA 1.004 59.219 58.200 0.026 0.000 0.974 857 S CB -0.645 62.507 63.200 -0.080 0.000 0.868 857 S HN -0.097 nan 8.310 nan 0.000 0.459 858 M N 0.695 120.354 119.600 0.098 0.000 2.349 858 M HA 0.067 4.547 4.480 0.001 0.000 0.266 858 M C 0.985 177.415 176.300 0.216 0.000 1.076 858 M CA 0.718 56.105 55.300 0.146 0.000 1.126 858 M CB -0.954 31.677 32.600 0.051 0.000 1.392 858 M HN 0.313 nan 8.290 nan 0.000 0.440 859 Q N -0.012 119.942 119.800 0.257 0.000 1.555 859 Q HA -0.271 4.069 4.340 0.001 0.000 0.344 859 Q C 0.737 176.958 176.000 0.368 0.000 0.887 859 Q CA 2.176 58.195 55.803 0.361 0.000 0.829 859 Q CB -1.669 27.248 28.738 0.298 0.000 3.625 859 Q HN 0.644 nan 8.270 nan 0.000 0.622 860 Q N 1.651 121.641 119.800 0.318 0.000 2.247 860 Q HA 0.301 4.641 4.340 0.001 0.000 0.234 860 Q C -0.271 175.822 176.000 0.155 0.000 0.899 860 Q CA 0.992 56.960 55.803 0.274 0.000 0.951 860 Q CB 0.056 28.954 28.738 0.268 0.000 1.057 860 Q HN 0.396 nan 8.270 nan 0.000 0.444 861 D N -1.259 119.229 120.400 0.147 0.000 2.407 861 D HA 0.095 4.735 4.640 0.001 0.000 0.208 861 D C 0.140 176.515 176.300 0.125 0.000 1.083 861 D CA 0.025 54.094 54.000 0.115 0.000 0.844 861 D CB 0.128 41.001 40.800 0.122 0.000 0.967 861 D HN 0.297 nan 8.370 nan 0.000 0.506 862 F N -0.659 119.222 119.950 -0.115 0.000 2.453 862 F HA 0.162 4.689 4.527 0.000 0.000 0.284 862 F C 1.386 177.054 175.800 -0.221 0.000 1.065 862 F CA 0.566 58.441 58.000 -0.209 0.000 1.411 862 F CB -0.188 38.598 39.000 -0.356 0.000 1.131 862 F HN -0.119 nan 8.300 nan 0.000 0.582 863 Y N 0.745 120.920 120.300 -0.208 0.000 2.200 863 Y HA -0.172 4.378 4.550 0.001 0.000 0.290 863 Y C 2.493 178.117 175.900 -0.461 0.000 1.137 863 Y CA 1.569 59.400 58.100 -0.447 0.000 1.163 863 Y CB -0.723 37.429 38.460 -0.513 0.000 0.988 863 Y HN 0.143 nan 8.280 nan 0.000 0.518 864 T N -1.967 112.491 114.554 -0.160 0.000 3.284 864 T HA 0.103 4.453 4.350 0.001 0.000 0.252 864 T C 0.366 175.035 174.700 -0.053 0.000 1.144 864 T CA -0.175 61.881 62.100 -0.074 0.000 1.021 864 T CB -1.144 67.743 68.868 0.032 0.000 0.984 864 T HN -0.122 nan 8.240 nan 0.000 0.545 865 V N 2.147 121.996 119.914 -0.109 0.000 2.655 865 V HA 0.113 4.233 4.120 0.001 0.000 0.300 865 V C 0.838 176.900 176.094 -0.052 0.000 1.044 865 V CA -0.641 61.617 62.300 -0.070 0.000 1.095 865 V CB 0.810 32.572 31.823 -0.102 0.000 0.952 865 V HN 0.562 nan 8.190 nan 0.000 0.485 866 E N 4.328 124.519 120.200 -0.016 0.000 2.415 866 E HA -0.038 4.313 4.350 0.001 0.000 0.260 866 E C 0.012 176.609 176.600 -0.005 0.000 1.016 866 E CA 0.050 56.449 56.400 -0.003 0.000 0.924 866 E CB 0.061 29.767 29.700 0.010 0.000 0.961 866 E HN 0.766 nan 8.360 nan 0.000 0.459 867 D N 3.058 123.458 120.400 -0.000 0.000 2.870 867 D HA -0.266 4.375 4.640 0.001 0.000 0.228 867 D C 1.019 177.319 176.300 0.000 0.000 1.147 867 D CA 0.463 54.467 54.000 0.007 0.000 0.757 867 D CB -1.086 39.723 40.800 0.014 0.000 1.091 867 D HN 0.574 nan 8.370 nan 0.000 0.429 868 L N 0.419 121.625 121.223 -0.029 0.000 1.971 868 L HA -0.275 4.065 4.340 0.001 0.000 0.215 868 L C 2.643 179.518 176.870 0.009 0.000 1.072 868 L CA 2.447 57.253 54.840 -0.055 0.000 0.758 868 L CB -0.409 41.541 42.059 -0.182 0.000 0.889 868 L HN 0.282 nan 8.230 nan 0.000 0.433 869 A N -0.857 121.975 122.820 0.020 0.000 1.948 869 A HA -0.255 4.065 4.320 0.001 0.000 0.220 869 A C 2.162 179.791 177.584 0.075 0.000 1.177 869 A CA 2.558 54.630 52.037 0.058 0.000 0.636 869 A CB -0.977 18.045 19.000 0.036 0.000 0.815 869 A HN 0.589 nan 8.150 nan 0.000 0.449 870 T N -0.345 114.239 114.554 0.052 0.000 2.770 870 T HA -0.133 4.217 4.350 0.001 0.000 0.263 870 T C 2.035 176.775 174.700 0.066 0.000 1.039 870 T CA 1.340 63.471 62.100 0.052 0.000 1.142 870 T CB -0.311 68.578 68.868 0.035 0.000 0.868 870 T HN 0.596 nan 8.240 nan 0.000 0.435 871 Q N 0.726 120.559 119.800 0.054 0.000 2.077 871 Q HA -0.080 4.261 4.340 0.001 0.000 0.206 871 Q C 2.451 178.503 176.000 0.086 0.000 0.989 871 Q CA 1.314 57.148 55.803 0.052 0.000 0.853 871 Q CB -0.571 28.188 28.738 0.035 0.000 0.907 871 Q HN 0.479 nan 8.270 nan 0.000 0.418 872 L N 0.254 121.563 121.223 0.144 0.000 2.017 872 L HA -0.231 4.109 4.340 0.001 0.000 0.208 872 L C 2.413 179.502 176.870 0.365 0.000 1.073 872 L CA 0.966 55.958 54.840 0.253 0.000 0.745 872 L CB -0.417 41.895 42.059 0.422 0.000 0.894 872 L HN 0.231 nan 8.230 nan 0.000 0.432 873 L N -0.480 120.952 121.223 0.348 0.000 2.046 873 L HA -0.198 4.142 4.340 0.001 0.000 0.208 873 L C 2.615 179.614 176.870 0.214 0.000 1.077 873 L CA 1.629 56.671 54.840 0.337 0.000 0.747 873 L CB -0.418 41.722 42.059 0.135 0.000 0.896 873 L HN 0.367 nan 8.230 nan 0.000 0.432 874 S N -2.702 113.071 115.700 0.122 0.000 2.607 874 S HA 0.057 4.527 4.470 0.001 0.000 0.224 874 S C 1.519 176.138 174.600 0.031 0.000 0.969 874 S CA 0.558 58.796 58.200 0.064 0.000 0.927 874 S CB 0.329 63.552 63.200 0.039 0.000 0.772 874 S HN 0.289 nan 8.310 nan 0.000 0.533 875 S N 1.320 117.032 115.700 0.021 0.000 3.334 875 S HA 0.508 4.978 4.470 0.001 0.000 0.224 875 S C 2.163 176.688 174.600 -0.125 0.000 0.959 875 S CA 0.169 58.333 58.200 -0.060 0.000 0.815 875 S CB -0.837 62.311 63.200 -0.087 0.000 0.861 875 S HN 0.535 nan 8.310 nan 0.000 0.596 876 A N 1.260 123.950 122.820 -0.218 0.000 1.898 876 A HA 0.117 4.437 4.320 0.001 0.000 0.216 876 A C 0.899 178.165 177.584 -0.530 0.000 1.181 876 A CA 1.273 53.053 52.037 -0.428 0.000 0.620 876 A CB -0.732 17.832 19.000 -0.728 0.000 0.819 876 A HN 0.478 nan 8.150 nan 0.000 0.442 877 F N -0.843 119.137 119.950 0.051 0.000 2.974 877 F HA 0.331 4.859 4.527 0.001 0.000 0.292 877 F C 1.352 177.125 175.800 -0.045 0.000 1.209 877 F CA -0.168 57.832 58.000 0.000 0.000 1.366 877 F CB 0.174 39.176 39.000 0.003 0.000 1.033 877 F HN 0.045 nan 8.300 nan 0.000 0.516 878 V N 0.667 120.604 119.914 0.039 0.000 2.599 878 V HA -0.003 4.117 4.120 0.001 0.000 0.245 878 V C 1.126 177.213 176.094 -0.012 0.000 1.046 878 V CA 1.416 63.727 62.300 0.019 0.000 1.065 878 V CB 0.122 31.948 31.823 0.005 0.000 0.703 878 V HN 0.476 nan 8.190 nan 0.000 0.464 879 N N -0.431 118.257 118.700 -0.021 0.000 2.553 879 N HA 0.237 4.977 4.740 0.001 0.000 0.298 879 N C 0.728 176.190 175.510 -0.080 0.000 1.596 879 N CA 0.006 53.039 53.050 -0.028 0.000 0.910 879 N CB 0.070 38.576 38.487 0.032 0.000 1.336 879 N HN 0.348 nan 8.380 nan 0.000 0.497 880 L N -0.363 120.752 121.223 -0.181 0.000 2.201 880 L HA -0.050 4.290 4.340 0.001 0.000 0.212 880 L C 1.666 178.450 176.870 -0.144 0.000 1.105 880 L CA 0.684 55.386 54.840 -0.230 0.000 0.775 880 L CB -0.228 41.551 42.059 -0.466 0.000 0.913 880 L HN 0.245 nan 8.230 nan 0.000 0.440 881 N N 0.173 118.781 118.700 -0.153 0.000 2.272 881 N HA -0.171 4.570 4.740 0.001 0.000 0.185 881 N C 1.124 176.646 175.510 0.020 0.000 1.014 881 N CA 1.219 54.278 53.050 0.014 0.000 0.870 881 N CB -0.406 38.081 38.487 -0.001 0.000 0.975 881 N HN 0.485 nan 8.380 nan 0.000 0.433 882 N N 0.307 118.998 118.700 -0.015 0.000 2.294 882 N HA 0.100 4.841 4.740 0.001 0.000 0.186 882 N C 0.046 175.499 175.510 -0.095 0.000 1.107 882 N CA -0.267 52.780 53.050 -0.006 0.000 0.884 882 N CB 0.507 39.029 38.487 0.058 0.000 1.030 882 N HN 0.087 nan 8.380 nan 0.000 0.482 883 I N 3.527 123.977 120.570 -0.200 0.000 2.662 883 I HA 0.029 4.200 4.170 0.001 0.000 0.285 883 I C -1.894 173.960 176.117 -0.438 0.000 1.161 883 I CA -1.549 59.464 61.300 -0.478 0.000 1.415 883 I CB 0.203 38.004 38.000 -0.331 0.000 1.385 883 I HN -0.016 nan 8.210 nan 0.000 0.552 884 P HA 0.133 nan 4.420 nan 0.000 0.274 884 P C 0.272 177.214 177.300 -0.597 0.000 1.256 884 P CA -0.309 62.423 63.100 -0.613 0.000 0.795 884 P CB 0.617 31.727 31.700 -0.983 0.000 1.038 885 D N -0.023 120.114 120.400 -0.438 0.000 2.092 885 D HA -0.179 4.462 4.640 0.001 0.000 0.193 885 D C 1.654 177.825 176.300 -0.215 0.000 0.994 885 D CA 1.792 55.643 54.000 -0.248 0.000 0.828 885 D CB -0.912 39.811 40.800 -0.128 0.000 0.963 885 D HN 0.580 nan 8.370 nan 0.000 0.450 886 Y N -0.153 120.089 120.300 -0.097 0.000 2.797 886 Y HA 0.063 4.614 4.550 0.001 0.000 0.307 886 Y C 1.625 177.446 175.900 -0.132 0.000 1.168 886 Y CA 0.388 58.437 58.100 -0.084 0.000 1.388 886 Y CB -0.199 38.226 38.460 -0.058 0.000 0.985 886 Y HN -0.187 nan 8.280 nan 0.000 0.545 887 R N -0.797 119.468 120.500 -0.392 0.000 2.383 887 R HA 0.191 4.532 4.340 0.001 0.000 0.205 887 R C 1.605 177.819 176.300 -0.143 0.000 0.875 887 R CA 0.361 56.206 56.100 -0.425 0.000 1.039 887 R CB -0.438 29.299 30.300 -0.938 0.000 1.267 887 R HN 0.450 nan 8.270 nan 0.000 0.635 888 L N 1.346 122.462 121.223 -0.178 0.000 2.131 888 L HA 0.091 4.431 4.340 0.001 0.000 0.206 888 L C 2.543 179.387 176.870 -0.043 0.000 1.087 888 L CA 1.472 56.256 54.840 -0.093 0.000 0.767 888 L CB -0.265 41.742 42.059 -0.086 0.000 0.917 888 L HN -0.023 nan 8.230 nan 0.000 0.441 889 R N -0.290 120.193 120.500 -0.028 0.000 2.070 889 R HA -0.136 4.204 4.340 0.001 0.000 0.233 889 R C -0.428 175.884 176.300 0.021 0.000 1.137 889 R CA 1.901 58.008 56.100 0.011 0.000 0.945 889 R CB -1.303 29.014 30.300 0.029 0.000 0.845 889 R HN 0.259 nan 8.270 nan 0.000 0.430 890 P HA -0.210 nan 4.420 nan 0.000 0.216 890 P C 1.274 178.571 177.300 -0.006 0.000 1.150 890 P CA 1.513 64.650 63.100 0.061 0.000 0.843 890 P CB -0.139 31.652 31.700 0.151 0.000 0.787 891 M N -1.312 118.239 119.600 -0.080 0.000 2.099 891 M HA -0.134 4.346 4.480 0.001 0.000 0.262 891 M C 1.863 178.083 176.300 -0.134 0.000 1.067 891 M CA 1.822 56.914 55.300 -0.346 0.000 1.124 891 M CB -0.640 31.605 32.600 -0.590 0.000 1.353 891 M HN -0.140 nan 8.290 nan 0.000 0.410 892 L N -0.438 120.756 121.223 -0.048 0.000 2.012 892 L HA -0.244 4.097 4.340 0.001 0.000 0.210 892 L C 2.842 179.720 176.870 0.012 0.000 1.073 892 L CA 1.482 56.330 54.840 0.013 0.000 0.748 892 L CB -0.820 41.262 42.059 0.039 0.000 0.891 892 L HN 0.413 nan 8.230 nan 0.000 0.431 893 R N -0.225 120.281 120.500 0.010 0.000 2.057 893 R HA -0.106 4.235 4.340 0.001 0.000 0.229 893 R C 2.185 178.480 176.300 -0.009 0.000 1.136 893 R CA 1.378 57.488 56.100 0.016 0.000 0.952 893 R CB -0.119 30.196 30.300 0.024 0.000 0.848 893 R HN 0.149 nan 8.270 nan 0.000 0.430 894 V N 0.464 120.345 119.914 -0.054 0.000 2.591 894 V HA -0.146 3.974 4.120 0.001 0.000 0.249 894 V C 1.635 177.711 176.094 -0.029 0.000 1.053 894 V CA 1.437 63.637 62.300 -0.167 0.000 1.068 894 V CB -0.221 31.392 31.823 -0.350 0.000 0.689 894 V HN 0.326 nan 8.190 nan 0.000 0.462 895 F N -0.755 119.128 119.950 -0.111 0.000 2.537 895 F HA 0.157 4.684 4.527 0.001 0.000 0.277 895 F C 1.862 177.694 175.800 0.054 0.000 1.013 895 F CA 1.192 59.179 58.000 -0.022 0.000 1.332 895 F CB 0.027 39.008 39.000 -0.032 0.000 1.108 895 F HN -0.097 nan 8.300 nan 0.000 0.679 896 V N 1.086 120.805 119.914 -0.325 0.000 2.379 896 V HA -0.113 4.007 4.120 0.001 0.000 0.243 896 V C 2.370 178.364 176.094 -0.167 0.000 1.035 896 V CA 1.783 63.835 62.300 -0.413 0.000 1.035 896 V CB -0.718 31.016 31.823 -0.148 0.000 0.673 896 V HN 0.241 nan 8.190 nan 0.000 0.457 897 K N 0.796 121.167 120.400 -0.048 0.000 2.034 897 K HA -0.209 4.111 4.320 0.001 0.000 0.214 897 K C -0.133 176.516 176.600 0.081 0.000 1.051 897 K CA 2.410 58.716 56.287 0.032 0.000 0.931 897 K CB -1.068 31.465 32.500 0.055 0.000 0.715 897 K HN 0.439 nan 8.250 nan 0.000 0.446 898 P HA -0.152 nan 4.420 nan 0.000 0.218 898 P C 1.713 179.163 177.300 0.250 0.000 1.152 898 P CA 1.045 64.265 63.100 0.201 0.000 0.826 898 P CB -0.086 31.664 31.700 0.084 0.000 0.790 899 L N -0.124 121.161 121.223 0.105 0.000 1.990 899 L HA -0.180 4.161 4.340 0.001 0.000 0.213 899 L C 2.409 179.451 176.870 0.286 0.000 1.072 899 L CA 1.984 56.942 54.840 0.197 0.000 0.755 899 L CB -0.713 41.281 42.059 -0.109 0.000 0.889 899 L HN -0.142 nan 8.230 nan 0.000 0.432 900 V N 0.209 120.201 119.914 0.130 0.000 2.229 900 V HA -0.326 3.794 4.120 0.001 0.000 0.243 900 V C 2.448 178.632 176.094 0.150 0.000 1.042 900 V CA 1.948 64.312 62.300 0.106 0.000 1.000 900 V CB -0.495 31.341 31.823 0.022 0.000 0.637 900 V HN 0.407 nan 8.190 nan 0.000 0.446 901 L N -1.313 120.000 121.223 0.150 0.000 2.189 901 L HA -0.190 4.151 4.340 0.001 0.000 0.214 901 L C 1.835 178.742 176.870 0.063 0.000 1.097 901 L CA 1.567 56.466 54.840 0.097 0.000 0.764 901 L CB -0.425 41.690 42.059 0.093 0.000 0.900 901 L HN 0.293 nan 8.230 nan 0.000 0.436 902 F N -1.207 118.840 119.950 0.162 0.000 2.660 902 F HA 0.140 4.667 4.527 0.001 0.000 0.297 902 F C 0.858 176.759 175.800 0.168 0.000 1.132 902 F CA -0.524 57.599 58.000 0.206 0.000 1.372 902 F CB 0.154 39.313 39.000 0.266 0.000 1.003 902 F HN -0.012 nan 8.300 nan 0.000 0.524 903 C N 3.827 123.201 119.300 0.123 0.000 2.307 903 C HA 0.490 4.951 4.460 0.001 0.000 0.340 903 C C -2.064 172.825 174.990 -0.167 0.000 1.275 903 C CA -2.300 56.529 59.018 -0.316 0.000 1.811 903 C CB -0.004 27.606 27.740 -0.217 0.000 2.372 903 C HN 0.116 nan 8.230 nan 0.000 0.531 904 P HA 0.263 nan 4.420 nan 0.000 0.276 904 P C -2.316 174.667 177.300 -0.529 0.000 1.235 904 P CA -1.265 61.709 63.100 -0.211 0.000 0.772 904 P CB 0.555 32.237 31.700 -0.029 0.000 0.871 905 P HA -0.212 nan 4.420 nan 0.000 0.218 905 P C 1.138 177.952 177.300 -0.811 0.000 1.146 905 P CA 1.488 63.738 63.100 -1.416 0.000 0.820 905 P CB -0.032 31.282 31.700 -0.644 0.000 0.778 906 E N -1.207 118.615 120.200 -0.630 0.000 2.147 906 E HA -0.208 4.143 4.350 0.001 0.000 0.199 906 E C 1.094 177.310 176.600 -0.640 0.000 1.005 906 E CA 1.298 57.316 56.400 -0.636 0.000 0.810 906 E CB -0.952 28.292 29.700 -0.760 0.000 0.736 906 E HN 0.603 nan 8.360 nan 0.000 0.460 907 H N -1.917 117.006 119.070 -0.244 0.000 2.475 907 H HA 0.190 4.747 4.556 0.001 0.000 0.276 907 H C 0.486 175.803 175.328 -0.018 0.000 1.126 907 H CA -0.212 55.769 56.048 -0.112 0.000 1.023 907 H CB -0.260 29.457 29.762 -0.075 0.000 1.669 907 H HN 0.301 nan 8.280 nan 0.000 0.573 908 Y N 1.427 121.730 120.300 0.005 0.000 2.333 908 Y HA -0.165 4.385 4.550 0.001 0.000 0.290 908 Y C 2.017 177.914 175.900 -0.004 0.000 1.144 908 Y CA 0.181 58.274 58.100 -0.012 0.000 1.228 908 Y CB 0.424 38.871 38.460 -0.022 0.000 0.985 908 Y HN 0.218 nan 8.280 nan 0.000 0.542 909 E N 0.372 120.672 120.200 0.168 0.000 2.011 909 E HA -0.138 4.212 4.350 0.001 0.000 0.191 909 E C 2.486 179.150 176.600 0.106 0.000 0.980 909 E CA 0.901 57.378 56.400 0.128 0.000 0.814 909 E CB -0.869 28.893 29.700 0.104 0.000 0.775 909 E HN 0.340 nan 8.360 nan 0.000 0.454 910 A N 1.173 124.062 122.820 0.115 0.000 1.909 910 A HA -0.239 4.081 4.320 0.001 0.000 0.221 910 A C 2.207 179.839 177.584 0.080 0.000 1.223 910 A CA 3.208 55.310 52.037 0.108 0.000 0.658 910 A CB -0.533 18.561 19.000 0.157 0.000 0.831 910 A HN 0.330 nan 8.150 nan 0.000 0.462 911 L N -5.289 115.989 121.223 0.091 0.000 2.885 911 L HA 0.349 4.690 4.340 0.001 0.000 0.251 911 L C 1.724 178.622 176.870 0.047 0.000 1.071 911 L CA 0.374 55.252 54.840 0.062 0.000 0.956 911 L CB 0.106 42.204 42.059 0.066 0.000 1.483 911 L HN -0.068 nan 8.230 nan 0.000 0.525 912 V N 0.139 120.100 119.914 0.079 0.000 2.358 912 V HA -0.198 3.922 4.120 0.001 0.000 0.246 912 V C 2.824 178.884 176.094 -0.057 0.000 1.047 912 V CA 2.157 64.475 62.300 0.030 0.000 1.035 912 V CB -0.529 31.342 31.823 0.080 0.000 0.658 912 V HN 0.638 nan 8.190 nan 0.000 0.452 913 S N 0.556 116.215 115.700 -0.069 0.000 2.338 913 S HA -0.078 4.393 4.470 0.001 0.000 0.218 913 S C 0.249 174.753 174.600 -0.160 0.000 1.032 913 S CA 1.782 59.863 58.200 -0.198 0.000 0.999 913 S CB -1.232 61.767 63.200 -0.333 0.000 0.905 913 S HN 0.545 nan 8.310 nan 0.000 0.439 914 P HA -0.017 nan 4.420 nan 0.000 0.223 914 P C 1.157 178.395 177.300 -0.103 0.000 1.144 914 P CA 0.999 64.063 63.100 -0.059 0.000 0.783 914 P CB -0.137 31.555 31.700 -0.014 0.000 0.771 915 I N -1.414 119.072 120.570 -0.140 0.000 2.628 915 I HA -0.060 4.110 4.170 0.001 0.000 0.255 915 I C 2.522 178.424 176.117 -0.358 0.000 1.119 915 I CA 0.564 61.706 61.300 -0.263 0.000 1.448 915 I CB -0.326 37.541 38.000 -0.222 0.000 1.133 915 I HN -0.197 nan 8.210 nan 0.000 0.438 916 L N 0.376 121.426 121.223 -0.287 0.000 2.109 916 L HA -0.042 4.298 4.340 0.001 0.000 0.207 916 L C 2.594 179.315 176.870 -0.249 0.000 1.086 916 L CA 1.183 55.786 54.840 -0.395 0.000 0.760 916 L CB -1.060 40.866 42.059 -0.222 0.000 0.910 916 L HN 0.320 nan 8.230 nan 0.000 0.437 917 G N 1.449 110.191 108.800 -0.097 0.000 2.721 917 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 917 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 917 G C -0.772 174.127 174.900 -0.002 0.000 1.265 917 G CA 1.077 46.174 45.100 -0.005 0.000 0.796 917 G HN 0.301 nan 8.290 nan 0.000 0.620 918 P HA -0.007 nan 4.420 nan 0.000 0.220 918 P C 2.043 179.316 177.300 -0.046 0.000 1.148 918 P CA 0.523 63.600 63.100 -0.039 0.000 0.803 918 P CB -0.068 31.582 31.700 -0.082 0.000 0.782 919 L N -2.233 118.867 121.223 -0.206 0.000 2.044 919 L HA -0.103 4.238 4.340 0.001 0.000 0.205 919 L C 2.244 179.076 176.870 -0.063 0.000 1.075 919 L CA 1.524 56.223 54.840 -0.236 0.000 0.747 919 L CB -0.467 41.260 42.059 -0.554 0.000 0.903 919 L HN -0.082 nan 8.230 nan 0.000 0.435 920 F N -0.623 119.353 119.950 0.044 0.000 2.186 920 F HA -0.216 4.311 4.527 0.001 0.000 0.299 920 F C 2.521 178.402 175.800 0.135 0.000 1.090 920 F CA 1.345 59.392 58.000 0.080 0.000 1.307 920 F CB -0.513 38.515 39.000 0.046 0.000 1.019 920 F HN 0.054 nan 8.300 nan 0.000 0.489 921 T N -0.482 114.248 114.554 0.293 0.000 2.665 921 T HA -0.308 4.042 4.350 0.001 0.000 0.268 921 T C 1.555 176.397 174.700 0.236 0.000 1.035 921 T CA 1.885 64.142 62.100 0.262 0.000 1.151 921 T CB -0.707 68.271 68.868 0.184 0.000 0.862 921 T HN 0.336 nan 8.240 nan 0.000 0.438 922 Y N 1.756 122.117 120.300 0.100 0.000 2.133 922 Y HA -0.016 4.535 4.550 0.001 0.000 0.287 922 Y C 2.111 178.060 175.900 0.081 0.000 1.134 922 Y CA 0.927 59.063 58.100 0.059 0.000 1.133 922 Y CB -0.745 37.731 38.460 0.028 0.000 0.987 922 Y HN 0.092 nan 8.280 nan 0.000 0.502 923 L N -0.158 121.060 121.223 -0.009 0.000 2.021 923 L HA -0.331 4.010 4.340 0.001 0.000 0.215 923 L C 2.658 179.500 176.870 -0.047 0.000 1.074 923 L CA 2.030 56.826 54.840 -0.074 0.000 0.760 923 L CB -0.942 41.222 42.059 0.174 0.000 0.889 923 L HN 0.420 nan 8.230 nan 0.000 0.433 924 H N -0.239 118.863 119.070 0.054 0.000 2.321 924 H HA -0.251 4.305 4.556 0.001 0.000 0.300 924 H C 2.190 177.563 175.328 0.075 0.000 1.087 924 H CA 2.203 58.339 56.048 0.145 0.000 1.319 924 H CB -0.193 29.689 29.762 0.199 0.000 1.379 924 H HN 0.201 nan 8.280 nan 0.000 0.501 925 M N -0.016 119.293 119.600 -0.485 0.000 2.117 925 M HA -0.182 4.298 4.480 0.001 0.000 0.262 925 M C 2.598 178.675 176.300 -0.371 0.000 1.065 925 M CA 1.969 56.981 55.300 -0.480 0.000 1.114 925 M CB -0.213 32.229 32.600 -0.262 0.000 1.361 925 M HN 0.413 nan 8.290 nan 0.000 0.408 926 R N 0.348 120.542 120.500 -0.510 0.000 2.081 926 R HA -0.147 4.194 4.340 0.001 0.000 0.235 926 R C 2.054 178.155 176.300 -0.333 0.000 1.131 926 R CA 1.578 57.392 56.100 -0.477 0.000 0.960 926 R CB -0.381 29.488 30.300 -0.717 0.000 0.856 926 R HN 0.450 nan 8.270 nan 0.000 0.436 927 L N 0.140 121.188 121.223 -0.293 0.000 2.093 927 L HA -0.108 4.232 4.340 0.001 0.000 0.208 927 L C 2.442 179.030 176.870 -0.470 0.000 1.085 927 L CA 1.235 55.870 54.840 -0.342 0.000 0.755 927 L CB -0.178 41.778 42.059 -0.172 0.000 0.904 927 L HN 0.233 nan 8.230 nan 0.000 0.435 928 S N -0.826 114.698 115.700 -0.293 0.000 2.383 928 S HA -0.167 4.303 4.470 0.001 0.000 0.227 928 S C 1.915 176.471 174.600 -0.074 0.000 1.026 928 S CA 0.915 59.042 58.200 -0.121 0.000 0.981 928 S CB -0.130 63.194 63.200 0.206 0.000 0.818 928 S HN 0.407 nan 8.310 nan 0.000 0.472 929 Q N 1.058 120.784 119.800 -0.125 0.000 2.083 929 Q HA 0.053 4.393 4.340 0.001 0.000 0.198 929 Q C 2.046 177.962 176.000 -0.140 0.000 0.969 929 Q CA 0.841 56.587 55.803 -0.094 0.000 0.838 929 Q CB -0.281 28.398 28.738 -0.098 0.000 0.900 929 Q HN 0.353 nan 8.270 nan 0.000 0.436 930 K N -0.196 120.050 120.400 -0.257 0.000 2.097 930 K HA -0.151 4.169 4.320 0.001 0.000 0.206 930 K C 1.870 178.210 176.600 -0.434 0.000 1.049 930 K CA 0.897 56.960 56.287 -0.374 0.000 0.933 930 K CB -0.335 31.857 32.500 -0.512 0.000 0.717 930 K HN 0.350 nan 8.250 nan 0.000 0.442 931 W N 1.616 122.730 121.300 -0.309 0.000 2.436 931 W HA -0.047 4.614 4.660 0.001 0.000 0.284 931 W C 2.262 178.746 176.519 -0.058 0.000 1.225 931 W CA 0.293 57.498 57.345 -0.234 0.000 1.271 931 W CB 0.074 29.285 29.460 -0.416 0.000 1.114 931 W HN 0.205 nan 8.180 nan 0.000 0.559 932 Q N -0.234 119.660 119.800 0.156 0.000 2.230 932 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 932 Q C 2.063 178.106 176.000 0.073 0.000 0.963 932 Q CA 1.333 57.216 55.803 0.133 0.000 0.866 932 Q CB -0.319 28.484 28.738 0.109 0.000 0.931 932 Q HN 0.191 nan 8.270 nan 0.000 0.452 933 V N 0.947 120.867 119.914 0.010 0.000 2.343 933 V HA -0.263 3.858 4.120 0.001 0.000 0.247 933 V C 2.073 178.172 176.094 0.007 0.000 1.051 933 V CA 1.594 63.887 62.300 -0.013 0.000 1.036 933 V CB -0.403 31.380 31.823 -0.067 0.000 0.654 933 V HN 0.341 nan 8.190 nan 0.000 0.451 934 I N 0.372 120.948 120.570 0.010 0.000 2.252 934 I HA -0.211 3.959 4.170 0.001 0.000 0.245 934 I C 2.140 178.341 176.117 0.140 0.000 1.102 934 I CA 1.752 63.089 61.300 0.062 0.000 1.385 934 I CB -0.549 37.486 38.000 0.058 0.000 1.064 934 I HN 0.372 nan 8.210 nan 0.000 0.414 935 N N 0.231 119.042 118.700 0.185 0.000 2.381 935 N HA -0.228 4.512 4.740 0.001 0.000 0.182 935 N C 1.773 177.345 175.510 0.103 0.000 1.025 935 N CA 0.361 53.508 53.050 0.161 0.000 0.888 935 N CB -0.014 38.577 38.487 0.173 0.000 0.965 935 N HN 0.274 nan 8.380 nan 0.000 0.438 936 Q N 1.010 120.860 119.800 0.082 0.000 2.226 936 Q HA 0.007 4.347 4.340 0.001 0.000 0.204 936 Q C 0.175 176.206 176.000 0.050 0.000 0.975 936 Q CA 1.101 56.939 55.803 0.058 0.000 0.866 936 Q CB 0.306 29.070 28.738 0.043 0.000 0.915 936 Q HN 0.270 nan 8.270 nan 0.000 0.440 953 S N 1.175 116.883 115.700 0.013 0.000 2.368 953 S HA -0.206 4.265 4.470 0.001 0.000 0.225 953 S C 1.677 176.282 174.600 0.009 0.000 1.030 953 S CA 1.789 59.996 58.200 0.012 0.000 0.999 953 S CB -0.192 63.016 63.200 0.012 0.000 0.844 953 S HN 0.266 nan 8.310 nan 0.000 0.459 954 Q N 0.638 120.443 119.800 0.008 0.000 2.135 954 Q HA -0.177 4.163 4.340 0.001 0.000 0.204 954 Q C 2.242 178.245 176.000 0.006 0.000 0.981 954 Q CA 1.467 57.275 55.803 0.007 0.000 0.856 954 Q CB -0.137 28.606 28.738 0.009 0.000 0.902 954 Q HN 0.614 nan 8.270 nan 0.000 0.425 955 E N 0.285 120.488 120.200 0.004 0.000 2.086 955 E HA -0.108 4.242 4.350 0.001 0.000 0.190 955 E C 2.046 178.643 176.600 -0.005 0.000 0.975 955 E CA 0.259 56.659 56.400 -0.001 0.000 0.813 955 E CB 0.028 29.728 29.700 -0.000 0.000 0.768 955 E HN 0.266 nan 8.360 nan 0.000 0.457 956 M N 1.339 120.940 119.600 0.002 0.000 2.144 956 M HA -0.183 4.297 4.480 0.001 0.000 0.260 956 M C 2.388 178.688 176.300 0.001 0.000 1.067 956 M CA 1.056 56.359 55.300 0.005 0.000 1.095 956 M CB -0.523 32.084 32.600 0.013 0.000 1.365 956 M HN 0.285 nan 8.290 nan 0.000 0.406 957 L N 0.880 122.104 121.223 0.002 0.000 2.012 957 L HA -0.200 4.140 4.340 0.001 0.000 0.210 957 L C 1.889 178.756 176.870 -0.005 0.000 1.073 957 L CA 2.074 56.914 54.840 0.001 0.000 0.748 957 L CB -0.778 41.281 42.059 -0.000 0.000 0.891 957 L HN 0.339 nan 8.230 nan 0.000 0.431 958 E N -0.689 119.504 120.200 -0.011 0.000 2.204 958 E HA -0.244 4.107 4.350 0.001 0.000 0.194 958 E C 2.019 178.577 176.600 -0.069 0.000 0.989 958 E CA 0.986 57.373 56.400 -0.023 0.000 0.824 958 E CB -0.103 29.584 29.700 -0.021 0.000 0.756 958 E HN 0.672 nan 8.360 nan 0.000 0.477 959 E N 0.945 121.104 120.200 -0.069 0.000 2.051 959 E HA -0.285 4.066 4.350 0.001 0.000 0.192 959 E C 2.135 178.680 176.600 -0.091 0.000 0.991 959 E CA 1.106 57.443 56.400 -0.105 0.000 0.799 959 E CB 0.106 29.774 29.700 -0.054 0.000 0.748 959 E HN 0.020 nan 8.360 nan 0.000 0.449 960 Q N 0.848 120.629 119.800 -0.032 0.000 2.077 960 Q HA -0.174 4.166 4.340 0.001 0.000 0.206 960 Q C 2.129 178.121 176.000 -0.013 0.000 0.989 960 Q CA 1.675 57.476 55.803 -0.003 0.000 0.853 960 Q CB -0.437 28.309 28.738 0.014 0.000 0.907 960 Q HN 0.406 nan 8.270 nan 0.000 0.418 961 L N -0.956 120.252 121.223 -0.024 0.000 2.131 961 L HA -0.146 4.194 4.340 0.001 0.000 0.210 961 L C 2.261 179.086 176.870 -0.074 0.000 1.092 961 L CA 0.689 55.520 54.840 -0.016 0.000 0.759 961 L CB -0.402 41.670 42.059 0.021 0.000 0.903 961 L HN 0.091 nan 8.230 nan 0.000 0.435 962 V N -0.397 119.415 119.914 -0.170 0.000 2.358 962 V HA -0.215 3.905 4.120 0.001 0.000 0.246 962 V C 2.680 178.668 176.094 -0.176 0.000 1.047 962 V CA 1.424 63.535 62.300 -0.315 0.000 1.035 962 V CB -0.629 30.805 31.823 -0.648 0.000 0.658 962 V HN 0.429 nan 8.190 nan 0.000 0.452 963 R N -0.131 120.336 120.500 -0.056 0.000 2.083 963 R HA -0.099 4.241 4.340 0.001 0.000 0.237 963 R C 2.184 178.555 176.300 0.118 0.000 1.137 963 R CA 1.659 57.843 56.100 0.139 0.000 0.951 963 R CB -0.851 29.536 30.300 0.146 0.000 0.851 963 R HN 0.447 nan 8.270 nan 0.000 0.434 964 M N 0.320 119.958 119.600 0.063 0.000 2.175 964 M HA -0.106 4.375 4.480 0.001 0.000 0.264 964 M C 2.221 178.559 176.300 0.064 0.000 1.063 964 M CA 1.005 56.344 55.300 0.065 0.000 1.119 964 M CB -0.272 32.358 32.600 0.052 0.000 1.377 964 M HN 0.027 nan 8.290 nan 0.000 0.415 965 L N 0.104 121.348 121.223 0.036 0.000 2.056 965 L HA -0.129 4.211 4.340 0.001 0.000 0.207 965 L C 2.221 179.136 176.870 0.076 0.000 1.078 965 L CA 1.960 56.818 54.840 0.030 0.000 0.749 965 L CB -0.857 41.182 42.059 -0.032 0.000 0.901 965 L HN 0.218 nan 8.230 nan 0.000 0.433 966 T N -0.652 113.972 114.554 0.116 0.000 2.708 966 T HA -0.195 4.156 4.350 0.001 0.000 0.266 966 T C 1.996 176.817 174.700 0.202 0.000 1.037 966 T CA 1.696 63.927 62.100 0.219 0.000 1.146 966 T CB -0.296 68.815 68.868 0.405 0.000 0.865 966 T HN 0.312 nan 8.240 nan 0.000 0.435 967 R N 0.770 121.371 120.500 0.170 0.000 2.096 967 R HA -0.140 4.200 4.340 0.001 0.000 0.240 967 R C 2.623 178.990 176.300 0.110 0.000 1.139 967 R CA 1.673 57.851 56.100 0.129 0.000 0.952 967 R CB -0.299 30.065 30.300 0.106 0.000 0.854 967 R HN 0.347 nan 8.270 nan 0.000 0.436 968 E N 0.249 120.510 120.200 0.102 0.000 2.118 968 E HA -0.148 4.203 4.350 0.001 0.000 0.195 968 E C 1.750 178.419 176.600 0.114 0.000 0.992 968 E CA 1.220 57.675 56.400 0.093 0.000 0.804 968 E CB 0.021 29.767 29.700 0.076 0.000 0.741 968 E HN 0.092 nan 8.360 nan 0.000 0.458 969 V N 0.168 120.165 119.914 0.138 0.000 2.453 969 V HA -0.204 3.916 4.120 0.001 0.000 0.247 969 V C 2.167 178.363 176.094 0.170 0.000 1.048 969 V CA 1.490 63.897 62.300 0.179 0.000 1.049 969 V CB -0.365 31.580 31.823 0.204 0.000 0.672 969 V HN 0.345 nan 8.190 nan 0.000 0.457 970 M N -0.205 119.481 119.600 0.143 0.000 2.156 970 M HA -0.077 4.403 4.480 0.001 0.000 0.264 970 M C 2.015 178.355 176.300 0.067 0.000 1.067 970 M CA 1.624 56.982 55.300 0.097 0.000 1.131 970 M CB -1.367 31.291 32.600 0.098 0.000 1.368 970 M HN 0.414 nan 8.290 nan 0.000 0.416 971 D N 0.593 121.040 120.400 0.078 0.000 2.092 971 D HA -0.190 4.450 4.640 0.001 0.000 0.193 971 D C 1.998 178.342 176.300 0.073 0.000 0.994 971 D CA 1.141 55.180 54.000 0.064 0.000 0.828 971 D CB -0.121 40.719 40.800 0.067 0.000 0.963 971 D HN 0.151 nan 8.370 nan 0.000 0.450 972 L N 0.398 121.686 121.223 0.107 0.000 2.051 972 L HA -0.182 4.158 4.340 0.001 0.000 0.214 972 L C 2.197 179.155 176.870 0.146 0.000 1.076 972 L CA 1.698 56.624 54.840 0.144 0.000 0.758 972 L CB -0.590 41.590 42.059 0.202 0.000 0.890 972 L HN 0.263 nan 8.230 nan 0.000 0.433 973 I N -1.591 119.029 120.570 0.085 0.000 2.202 973 I HA -0.270 3.900 4.170 0.001 0.000 0.242 973 I C 2.221 178.298 176.117 -0.067 0.000 1.091 973 I CA 1.523 62.772 61.300 -0.085 0.000 1.368 973 I CB -0.763 37.092 38.000 -0.241 0.000 1.058 973 I HN 0.266 nan 8.210 nan 0.000 0.410 974 T N 0.748 115.284 114.554 -0.031 0.000 2.607 974 T HA -0.174 4.177 4.350 0.001 0.000 0.267 974 T C 1.980 176.675 174.700 -0.009 0.000 1.049 974 T CA 1.717 63.803 62.100 -0.024 0.000 1.162 974 T CB -0.564 68.300 68.868 -0.007 0.000 0.863 974 T HN 0.112 nan 8.240 nan 0.000 0.424 975 V N 0.764 120.687 119.914 0.015 0.000 2.568 975 V HA -0.212 3.909 4.120 0.001 0.000 0.253 975 V C 2.814 178.912 176.094 0.007 0.000 1.072 975 V CA 1.129 63.440 62.300 0.019 0.000 1.084 975 V CB -1.031 30.814 31.823 0.038 0.000 0.676 975 V HN 0.629 nan 8.190 nan 0.000 0.469 976 C N 0.193 119.500 119.300 0.012 0.000 2.462 976 C HA -0.145 4.315 4.460 0.001 0.000 0.278 976 C C 2.754 177.714 174.990 -0.050 0.000 1.253 976 C CA 1.445 60.461 59.018 -0.004 0.000 1.713 976 C CB -0.834 26.935 27.740 0.050 0.000 2.049 976 C HN 0.861 nan 8.230 nan 0.000 0.477 977 C N -2.323 116.944 119.300 -0.055 0.000 3.270 977 C HA 0.413 4.873 4.460 0.001 0.000 0.369 977 C C 0.664 175.628 174.990 -0.044 0.000 1.326 977 C CA -0.386 58.594 59.018 -0.063 0.000 1.846 977 C CB -1.495 26.198 27.740 -0.078 0.000 2.534 977 C HN 0.226 nan 8.230 nan 0.000 0.649 978 V N 2.801 122.694 119.914 -0.035 0.000 2.555 978 V HA 0.421 4.541 4.120 0.001 0.000 0.286 978 V C 0.539 176.627 176.094 -0.010 0.000 1.044 978 V CA 0.827 63.115 62.300 -0.019 0.000 1.026 978 V CB 1.106 32.920 31.823 -0.015 0.000 0.981 978 V HN 0.582 nan 8.190 nan 0.000 0.480 1011 L N 2.470 123.686 121.223 -0.011 0.000 2.436 1011 L HA 0.243 4.583 4.340 0.001 0.000 0.265 1011 L C 1.055 177.917 176.870 -0.014 0.000 1.168 1011 L CA 0.422 55.249 54.840 -0.021 0.000 0.815 1011 L CB 0.610 42.648 42.059 -0.034 0.000 1.109 1011 L HN 0.206 nan 8.230 nan 0.000 0.462 1012 T N -2.929 111.612 114.554 -0.021 0.000 2.726 1012 T HA 0.083 4.433 4.350 0.001 0.000 0.294 1012 T C 0.879 175.575 174.700 -0.007 0.000 1.013 1012 T CA -0.530 61.563 62.100 -0.012 0.000 0.996 1012 T CB 0.469 69.323 68.868 -0.023 0.000 1.016 1012 T HN 0.574 nan 8.240 nan 0.000 0.529 1013 D N 0.487 120.905 120.400 0.030 0.000 2.106 1013 D HA -0.133 4.507 4.640 0.001 0.000 0.191 1013 D C 2.037 178.350 176.300 0.021 0.000 0.997 1013 D CA 1.921 55.964 54.000 0.072 0.000 0.834 1013 D CB -0.263 40.647 40.800 0.182 0.000 0.956 1013 D HN 0.718 nan 8.370 nan 0.000 0.448 1014 L N -1.362 119.786 121.223 -0.125 0.000 2.551 1014 L HA 0.209 4.550 4.340 0.001 0.000 0.228 1014 L C 1.999 178.756 176.870 -0.189 0.000 1.153 1014 L CA 1.136 55.753 54.840 -0.371 0.000 0.851 1014 L CB -0.420 41.074 42.059 -0.942 0.000 0.959 1014 L HN -0.138 nan 8.230 nan 0.000 0.451 1015 G N 0.954 109.692 108.800 -0.105 0.000 2.425 1015 G HA2 -0.127 3.833 3.960 0.001 0.000 0.213 1015 G HA3 -0.127 3.833 3.960 0.001 0.000 0.213 1015 G C 1.507 176.381 174.900 -0.044 0.000 1.201 1015 G CA 0.623 45.681 45.100 -0.070 0.000 0.799 1015 G HN 0.390 nan 8.290 nan 0.000 0.534 1016 K N -0.276 120.110 120.400 -0.024 0.000 2.009 1016 K HA -0.123 4.197 4.320 0.001 0.000 0.210 1016 K C 2.530 179.141 176.600 0.019 0.000 1.049 1016 K CA 1.336 57.621 56.287 -0.003 0.000 0.929 1016 K CB -0.813 31.693 32.500 0.009 0.000 0.714 1016 K HN 0.330 nan 8.250 nan 0.000 0.440 1017 C N 1.270 120.588 119.300 0.030 0.000 2.413 1017 C HA -0.090 4.370 4.460 0.001 0.000 0.276 1017 C C 2.423 177.471 174.990 0.096 0.000 1.236 1017 C CA 0.765 59.829 59.018 0.077 0.000 1.735 1017 C CB -0.981 26.819 27.740 0.100 0.000 2.031 1017 C HN 0.420 nan 8.230 nan 0.000 0.474 1018 L N 0.248 121.473 121.223 0.004 0.000 2.201 1018 L HA -0.132 4.208 4.340 0.001 0.000 0.212 1018 L C 2.718 179.626 176.870 0.064 0.000 1.105 1018 L CA 1.090 55.926 54.840 -0.007 0.000 0.775 1018 L CB -0.512 41.519 42.059 -0.047 0.000 0.913 1018 L HN 0.387 nan 8.230 nan 0.000 0.440 1019 M N -0.363 119.263 119.600 0.043 0.000 2.229 1019 M HA -0.135 4.345 4.480 0.001 0.000 0.264 1019 M C 1.383 177.720 176.300 0.061 0.000 1.063 1019 M CA 1.424 56.745 55.300 0.035 0.000 1.114 1019 M CB -0.670 31.928 32.600 -0.004 0.000 1.387 1019 M HN 0.102 nan 8.290 nan 0.000 0.420 1020 K N 0.336 120.787 120.400 0.085 0.000 3.025 1020 K HA 0.041 4.362 4.320 0.001 0.000 0.260 1020 K C -0.322 176.286 176.600 0.013 0.000 1.023 1020 K CA 0.208 56.520 56.287 0.043 0.000 1.194 1020 K CB -0.311 32.208 32.500 0.032 0.000 1.094 1020 K HN 0.300 nan 8.250 nan 0.000 0.460 1021 H N -0.430 118.639 119.070 -0.001 0.000 2.856 1021 H HA 0.005 4.561 4.556 0.001 0.000 0.355 1021 H C 0.502 175.831 175.328 0.002 0.000 1.079 1021 H CA -0.407 55.644 56.048 0.005 0.000 1.240 1021 H CB 2.351 32.122 29.762 0.014 0.000 1.701 1021 H HN 0.056 nan 8.280 nan 0.000 0.527 1022 E N 2.276 122.520 120.200 0.073 0.000 2.026 1022 E HA -0.198 4.152 4.350 0.001 0.000 0.206 1022 E C 0.758 177.397 176.600 0.065 0.000 1.028 1022 E CA 2.257 58.685 56.400 0.047 0.000 0.845 1022 E CB 0.151 29.867 29.700 0.026 0.000 0.772 1022 E HN 0.631 nan 8.360 nan 0.000 0.462 1023 D N -0.567 119.886 120.400 0.088 0.000 2.103 1023 D HA -0.101 4.539 4.640 0.001 0.000 0.199 1023 D C 2.177 178.525 176.300 0.080 0.000 0.978 1023 D CA 1.432 55.475 54.000 0.073 0.000 0.829 1023 D CB -0.562 40.281 40.800 0.072 0.000 0.981 1023 D HN 0.152 nan 8.370 nan 0.000 0.464 1024 V N 0.993 120.963 119.914 0.093 0.000 2.252 1024 V HA -0.320 3.800 4.120 0.001 0.000 0.249 1024 V C 2.765 178.902 176.094 0.072 0.000 1.056 1024 V CA 1.739 64.096 62.300 0.095 0.000 1.022 1024 V CB -0.880 30.974 31.823 0.052 0.000 0.641 1024 V HN 0.348 nan 8.190 nan 0.000 0.445 1025 C N 0.290 119.627 119.300 0.060 0.000 2.442 1025 C HA -0.208 4.252 4.460 0.001 0.000 0.279 1025 C C 3.115 178.108 174.990 0.006 0.000 1.237 1025 C CA 2.138 61.171 59.018 0.025 0.000 1.722 1025 C CB -1.287 26.471 27.740 0.030 0.000 2.056 1025 C HN 0.682 nan 8.230 nan 0.000 0.469 1026 T N 1.045 115.602 114.554 0.005 0.000 2.685 1026 T HA -0.225 4.125 4.350 0.001 0.000 0.268 1026 T C 1.937 176.625 174.700 -0.020 0.000 1.034 1026 T CA 2.113 64.201 62.100 -0.021 0.000 1.149 1026 T CB -0.589 68.263 68.868 -0.026 0.000 0.860 1026 T HN 0.748 nan 8.240 nan 0.000 0.449 1027 A N 0.469 123.301 122.820 0.019 0.000 1.968 1027 A HA 0.147 4.468 4.320 0.001 0.000 0.217 1027 A C 2.191 179.760 177.584 -0.025 0.000 1.169 1027 A CA 0.845 52.906 52.037 0.041 0.000 0.638 1027 A CB -0.581 18.510 19.000 0.151 0.000 0.812 1027 A HN 0.364 nan 8.150 nan 0.000 0.446 1028 L N -0.947 120.240 121.223 -0.061 0.000 2.093 1028 L HA -0.096 4.244 4.340 0.001 0.000 0.208 1028 L C 2.318 179.160 176.870 -0.046 0.000 1.085 1028 L CA 1.213 55.964 54.840 -0.148 0.000 0.755 1028 L CB -0.509 41.457 42.059 -0.156 0.000 0.904 1028 L HN 0.298 nan 8.230 nan 0.000 0.435 1029 L N -1.354 119.882 121.223 0.023 0.000 2.072 1029 L HA -0.133 4.207 4.340 0.001 0.000 0.205 1029 L C 2.251 179.269 176.870 0.247 0.000 1.079 1029 L CA 1.424 56.358 54.840 0.156 0.000 0.752 1029 L CB -0.428 41.687 42.059 0.093 0.000 0.906 1029 L HN 0.127 nan 8.230 nan 0.000 0.436 1030 I N -1.132 119.491 120.570 0.088 0.000 2.142 1030 I HA -0.324 3.846 4.170 0.001 0.000 0.240 1030 I C 2.322 178.441 176.117 0.004 0.000 1.078 1030 I CA 1.685 63.038 61.300 0.089 0.000 1.343 1030 I CB -0.691 37.144 38.000 -0.274 0.000 1.046 1030 I HN 0.256 nan 8.210 nan 0.000 0.405 1031 T N 0.839 115.288 114.554 -0.175 0.000 2.684 1031 T HA -0.198 4.152 4.350 0.001 0.000 0.267 1031 T C 2.059 176.748 174.700 -0.019 0.000 1.036 1031 T CA 1.565 63.607 62.100 -0.097 0.000 1.148 1031 T CB -0.435 68.427 68.868 -0.011 0.000 0.863 1031 T HN 0.487 nan 8.240 nan 0.000 0.436 1032 A N 0.853 123.657 122.820 -0.026 0.000 1.877 1032 A HA 0.009 4.329 4.320 0.001 0.000 0.216 1032 A C 1.945 179.380 177.584 -0.248 0.000 1.186 1032 A CA 1.364 53.326 52.037 -0.124 0.000 0.620 1032 A CB -0.949 17.977 19.000 -0.125 0.000 0.822 1032 A HN 0.488 nan 8.150 nan 0.000 0.443 1033 F N -0.298 119.563 119.950 -0.149 0.000 2.558 1033 F HA 0.026 4.553 4.527 0.001 0.000 0.298 1033 F C 2.033 177.608 175.800 -0.376 0.000 1.119 1033 F CA 0.982 58.827 58.000 -0.257 0.000 1.451 1033 F CB -0.288 38.531 39.000 -0.303 0.000 1.091 1033 F HN 0.186 nan 8.300 nan 0.000 0.563 1034 N N -0.483 118.106 118.700 -0.185 0.000 2.409 1034 N HA -0.102 4.638 4.740 0.001 0.000 0.179 1034 N C 1.813 176.605 175.510 -1.197 0.000 1.032 1034 N CA 0.953 53.714 53.050 -0.481 0.000 0.898 1034 N CB -0.112 38.264 38.487 -0.185 0.000 0.971 1034 N HN -0.021 nan 8.380 nan 0.000 0.441 1035 S N 0.378 115.538 115.700 -0.900 0.000 2.382 1035 S HA -0.074 4.397 4.470 0.001 0.000 0.228 1035 S C 1.570 175.700 174.600 -0.783 0.000 1.027 1035 S CA 0.654 58.251 58.200 -1.004 0.000 0.991 1035 S CB -0.203 62.785 63.200 -0.354 0.000 0.823 1035 S HN 0.211 nan 8.310 nan 0.000 0.469 1036 L N 1.356 122.263 121.223 -0.527 0.000 2.187 1036 L HA -0.020 4.320 4.340 0.001 0.000 0.213 1036 L C 2.461 179.094 176.870 -0.395 0.000 1.100 1036 L CA 1.394 56.039 54.840 -0.325 0.000 0.765 1036 L CB -1.882 40.007 42.059 -0.284 0.000 0.904 1036 L HN 0.380 nan 8.230 nan 0.000 0.437 1037 A N -2.002 120.472 122.820 -0.578 0.000 2.081 1037 A HA -0.024 4.296 4.320 0.001 0.000 0.214 1037 A C 0.833 178.220 177.584 -0.329 0.000 1.158 1037 A CA -0.448 51.321 52.037 -0.448 0.000 0.724 1037 A CB -0.487 18.307 19.000 -0.343 0.000 0.826 1037 A HN 0.397 nan 8.150 nan 0.000 0.463 1038 W N 0.359 121.392 121.300 -0.445 0.000 2.148 1038 W HA 0.182 4.842 4.660 0.001 0.000 0.347 1038 W C 1.329 177.417 176.519 -0.719 0.000 1.288 1038 W CA -0.619 56.180 57.345 -0.910 0.000 1.252 1038 W CB 0.644 29.108 29.460 -1.660 0.000 1.156 1038 W HN 0.098 nan 8.180 nan 0.000 0.580 1039 K N 1.466 121.550 120.400 -0.527 0.000 2.525 1039 K HA -0.123 4.197 4.320 0.001 0.000 0.192 1039 K C -0.103 176.446 176.600 -0.086 0.000 1.029 1039 K CA 0.334 56.508 56.287 -0.189 0.000 1.029 1039 K CB -0.258 32.249 32.500 0.012 0.000 0.814 1039 K HN 0.509 nan 8.250 nan 0.000 0.503 1040 D N 0.346 120.618 120.400 -0.213 0.000 2.338 1040 D HA 0.004 4.645 4.640 0.001 0.000 0.255 1040 D C 0.352 176.642 176.300 -0.017 0.000 1.237 1040 D CA -0.012 53.984 54.000 -0.007 0.000 0.883 1040 D CB 1.455 42.311 40.800 0.093 0.000 1.087 1040 D HN 0.010 nan 8.370 nan 0.000 0.485 1041 T N 4.089 118.597 114.554 -0.078 0.000 3.035 1041 T HA -0.093 4.257 4.350 0.001 0.000 0.268 1041 T C 1.621 176.153 174.700 -0.280 0.000 1.109 1041 T CA -0.163 61.766 62.100 -0.286 0.000 1.119 1041 T CB 0.025 68.661 68.868 -0.386 0.000 0.900 1041 T HN 0.388 nan 8.240 nan 0.000 0.503 1042 L N 1.481 122.625 121.223 -0.133 0.000 2.109 1042 L HA 0.048 4.389 4.340 0.001 0.000 0.207 1042 L C 2.550 179.380 176.870 -0.068 0.000 1.086 1042 L CA 1.523 56.315 54.840 -0.081 0.000 0.760 1042 L CB -1.102 40.949 42.059 -0.013 0.000 0.910 1042 L HN 0.315 nan 8.230 nan 0.000 0.437 1043 S N -0.833 114.838 115.700 -0.048 0.000 2.387 1043 S HA -0.162 4.309 4.470 0.001 0.000 0.226 1043 S C 2.545 177.087 174.600 -0.096 0.000 1.026 1043 S CA 1.120 59.300 58.200 -0.033 0.000 0.972 1043 S CB -0.473 62.749 63.200 0.037 0.000 0.814 1043 S HN 0.700 nan 8.310 nan 0.000 0.477 1044 c N 1.621 120.122 118.600 -0.165 0.000 2.336 1044 c HA -0.206 4.364 4.570 0.001 0.000 0.275 1044 c C 2.579 176.579 174.090 -0.151 0.000 1.175 1044 c CA 1.797 58.007 56.329 -0.199 0.000 1.771 1044 c CB -1.868 40.328 42.510 -0.524 0.000 2.030 1044 c HN 0.600 nan 8.230 nan 0.000 0.442 1045 Q N 0.464 120.183 119.800 -0.135 0.000 2.079 1045 Q HA -0.013 4.327 4.340 0.001 0.000 0.200 1045 Q C 2.604 178.564 176.000 -0.067 0.000 0.974 1045 Q CA 1.582 57.335 55.803 -0.083 0.000 0.840 1045 Q CB -0.366 28.340 28.738 -0.054 0.000 0.898 1045 Q HN 0.700 nan 8.270 nan 0.000 0.430 1046 R N -0.187 120.276 120.500 -0.063 0.000 2.082 1046 R HA -0.116 4.224 4.340 0.001 0.000 0.234 1046 R C 2.330 178.595 176.300 -0.059 0.000 1.136 1046 R CA 1.924 57.998 56.100 -0.044 0.000 0.935 1046 R CB -0.657 29.626 30.300 -0.029 0.000 0.842 1046 R HN 0.311 nan 8.270 nan 0.000 0.430 1047 T N 0.124 114.626 114.554 -0.088 0.000 2.708 1047 T HA -0.123 4.227 4.350 0.001 0.000 0.266 1047 T C 1.914 176.515 174.700 -0.165 0.000 1.037 1047 T CA 1.824 63.845 62.100 -0.132 0.000 1.146 1047 T CB -0.456 68.309 68.868 -0.173 0.000 0.865 1047 T HN 0.305 nan 8.240 nan 0.000 0.435 1048 T N 2.612 117.072 114.554 -0.156 0.000 2.580 1048 T HA -0.161 4.190 4.350 0.001 0.000 0.265 1048 T C 2.531 177.199 174.700 -0.053 0.000 1.063 1048 T CA 2.015 64.031 62.100 -0.140 0.000 1.170 1048 T CB -0.591 68.217 68.868 -0.099 0.000 0.863 1048 T HN 0.633 nan 8.240 nan 0.000 0.418 1049 S N 1.267 116.955 115.700 -0.020 0.000 2.414 1049 S HA -0.004 4.466 4.470 0.001 0.000 0.227 1049 S C 1.983 176.611 174.600 0.047 0.000 1.022 1049 S CA 0.466 58.684 58.200 0.031 0.000 0.958 1049 S CB -0.309 62.900 63.200 0.014 0.000 0.797 1049 S HN 0.546 nan 8.310 nan 0.000 0.493 1050 Q N -0.521 119.286 119.800 0.011 0.000 2.373 1050 Q HA 0.378 4.719 4.340 0.001 0.000 0.210 1050 Q C 1.611 177.614 176.000 0.005 0.000 0.913 1050 Q CA 0.423 56.234 55.803 0.014 0.000 0.911 1050 Q CB 0.158 28.894 28.738 -0.004 0.000 1.040 1050 Q HN 0.473 nan 8.270 nan 0.000 0.521 1051 L N -1.386 119.818 121.223 -0.031 0.000 2.666 1051 L HA 0.140 4.480 4.340 0.001 0.000 0.184 1051 L C 1.857 178.674 176.870 -0.089 0.000 1.092 1051 L CA 0.800 55.599 54.840 -0.068 0.000 0.857 1051 L CB -0.448 41.547 42.059 -0.107 0.000 1.281 1051 L HN 0.087 nan 8.230 nan 0.000 0.489 1052 C N -0.023 119.154 119.300 -0.205 0.000 2.401 1052 C HA -0.228 4.233 4.460 0.001 0.000 0.276 1052 C C 2.497 177.533 174.990 0.076 0.000 1.233 1052 C CA 1.368 60.152 59.018 -0.390 0.000 1.753 1052 C CB -1.354 25.917 27.740 -0.782 0.000 2.029 1052 C HN 0.778 nan 8.230 nan 0.000 0.478 1053 W N 2.768 124.044 121.300 -0.040 0.000 2.418 1053 W HA -0.052 4.609 4.660 0.001 0.000 0.319 1053 W C -0.755 175.796 176.519 0.053 0.000 1.183 1053 W CA 1.550 58.922 57.345 0.045 0.000 1.327 1053 W CB -1.522 27.950 29.460 0.021 0.000 1.163 1053 W HN 0.200 nan 8.180 nan 0.000 0.479 1054 P HA -0.184 nan 4.420 nan 0.000 0.223 1054 P C 1.866 179.033 177.300 -0.222 0.000 1.144 1054 P CA 1.475 64.434 63.100 -0.235 0.000 0.783 1054 P CB -0.381 31.285 31.700 -0.057 0.000 0.771 1055 L N -0.983 120.160 121.223 -0.133 0.000 2.005 1055 L HA -0.116 4.224 4.340 0.001 0.000 0.207 1055 L C 2.821 179.607 176.870 -0.140 0.000 1.072 1055 L CA 1.261 56.053 54.840 -0.081 0.000 0.744 1055 L CB -1.016 41.062 42.059 0.032 0.000 0.895 1055 L HN -0.090 nan 8.230 nan 0.000 0.433 1056 L N 0.024 121.144 121.223 -0.170 0.000 2.083 1056 L HA -0.233 4.108 4.340 0.001 0.000 0.209 1056 L C 2.597 179.192 176.870 -0.458 0.000 1.083 1056 L CA 1.208 55.882 54.840 -0.276 0.000 0.752 1056 L CB -0.359 41.566 42.059 -0.223 0.000 0.899 1056 L HN 0.278 nan 8.230 nan 0.000 0.433 1057 K N -0.233 119.713 120.400 -0.757 0.000 2.442 1057 K HA -0.252 4.068 4.320 0.001 0.000 0.198 1057 K C 1.955 178.363 176.600 -0.319 0.000 1.044 1057 K CA 1.107 56.984 56.287 -0.684 0.000 0.948 1057 K CB 0.202 32.187 32.500 -0.859 0.000 0.762 1057 K HN 0.182 nan 8.250 nan 0.000 0.472 1058 Q N -0.087 119.565 119.800 -0.247 0.000 2.373 1058 Q HA -0.008 4.333 4.340 0.001 0.000 0.210 1058 Q C 0.747 176.680 176.000 -0.112 0.000 0.913 1058 Q CA 0.604 56.322 55.803 -0.143 0.000 0.911 1058 Q CB 0.896 29.568 28.738 -0.110 0.000 1.040 1058 Q HN 0.179 nan 8.270 nan 0.000 0.521 1059 V N -0.922 118.915 119.914 -0.129 0.000 2.843 1059 V HA 0.325 4.446 4.120 0.001 0.000 0.366 1059 V C 0.885 176.922 176.094 -0.094 0.000 1.283 1059 V CA -0.238 62.006 62.300 -0.094 0.000 1.303 1059 V CB -0.646 31.128 31.823 -0.081 0.000 1.418 1059 V HN 0.140 nan 8.190 nan 0.000 0.598 1060 L N 0.841 122.007 121.223 -0.095 0.000 1.868 1060 L HA 0.085 4.425 4.340 0.001 0.000 0.222 1060 L C 1.777 178.638 176.870 -0.014 0.000 1.108 1060 L CA 1.134 55.941 54.840 -0.056 0.000 0.822 1060 L CB -0.833 41.195 42.059 -0.052 0.000 0.891 1060 L HN 0.624 nan 8.230 nan 0.000 0.441 1061 S N 0.258 115.952 115.700 -0.010 0.000 2.673 1061 S HA 0.360 4.830 4.470 0.001 0.000 0.308 1061 S C 0.343 174.946 174.600 0.004 0.000 1.246 1061 S CA -0.152 58.049 58.200 0.002 0.000 1.077 1061 S CB 0.039 63.236 63.200 -0.006 0.000 0.814 1061 S HN 0.861 nan 8.310 nan 0.000 0.503 1062 G N 2.722 111.535 108.800 0.022 0.000 2.460 1062 G HA2 -0.090 3.870 3.960 0.001 0.000 0.207 1062 G HA3 -0.090 3.870 3.960 0.001 0.000 0.207 1062 G C -0.366 174.562 174.900 0.048 0.000 1.170 1062 G CA -0.452 44.660 45.100 0.021 0.000 1.151 1062 G HN 1.172 nan 8.290 nan 0.000 0.575 1063 T N 1.705 116.276 114.554 0.028 0.000 2.775 1063 T HA 0.511 4.861 4.350 0.001 0.000 0.287 1063 T C 0.368 175.080 174.700 0.020 0.000 0.909 1063 T CA 0.370 62.492 62.100 0.035 0.000 1.081 1063 T CB 0.334 69.207 68.868 0.010 0.000 0.891 1063 T HN 0.534 nan 8.240 nan 0.000 0.544 1064 L N 4.808 126.064 121.223 0.054 0.000 2.599 1064 L HA 0.357 4.697 4.340 0.001 0.000 0.241 1064 L C 0.023 176.846 176.870 -0.079 0.000 1.207 1064 L CA -0.639 54.153 54.840 -0.079 0.000 0.987 1064 L CB 0.348 42.261 42.059 -0.244 0.000 1.318 1064 L HN 0.573 nan 8.230 nan 0.000 0.458 1065 L N 1.596 122.806 121.223 -0.021 0.000 2.862 1065 L HA -0.252 4.088 4.340 0.001 0.000 0.297 1065 L C 1.839 178.692 176.870 -0.029 0.000 1.190 1065 L CA 0.353 55.192 54.840 -0.001 0.000 0.902 1065 L CB 0.114 42.160 42.059 -0.021 0.000 1.236 1065 L HN 0.653 nan 8.230 nan 0.000 0.485 1066 A N 3.091 125.938 122.820 0.046 0.000 1.903 1066 A HA -0.294 4.027 4.320 0.001 0.000 0.219 1066 A C 1.970 179.555 177.584 0.001 0.000 1.191 1066 A CA 2.144 54.211 52.037 0.050 0.000 0.638 1066 A CB -0.501 18.566 19.000 0.111 0.000 0.823 1066 A HN 0.956 nan 8.150 nan 0.000 0.451 1067 D N -0.483 119.924 120.400 0.011 0.000 2.182 1067 D HA -0.036 4.604 4.640 0.001 0.000 0.201 1067 D C 1.947 178.269 176.300 0.037 0.000 0.986 1067 D CA 1.632 55.645 54.000 0.021 0.000 0.847 1067 D CB -0.217 40.586 40.800 0.005 0.000 0.942 1067 D HN 0.378 nan 8.370 nan 0.000 0.467 1068 A N -0.135 122.682 122.820 -0.005 0.000 1.873 1068 A HA -0.100 4.221 4.320 0.001 0.000 0.215 1068 A C 2.542 180.155 177.584 0.048 0.000 1.186 1068 A CA 1.771 53.819 52.037 0.018 0.000 0.616 1068 A CB -0.902 18.065 19.000 -0.055 0.000 0.823 1068 A HN 0.189 nan 8.150 nan 0.000 0.442 1069 V N 0.930 120.792 119.914 -0.088 0.000 2.252 1069 V HA -0.304 3.816 4.120 0.001 0.000 0.249 1069 V C 2.961 179.040 176.094 -0.025 0.000 1.056 1069 V CA 2.654 64.865 62.300 -0.148 0.000 1.022 1069 V CB -1.968 29.634 31.823 -0.369 0.000 0.641 1069 V HN 0.806 nan 8.190 nan 0.000 0.445 1070 T N -2.453 112.115 114.554 0.022 0.000 2.759 1070 T HA -0.319 4.032 4.350 0.001 0.000 0.269 1070 T C 1.536 176.318 174.700 0.137 0.000 1.042 1070 T CA 1.845 63.991 62.100 0.077 0.000 1.140 1070 T CB -0.678 68.238 68.868 0.081 0.000 0.864 1070 T HN 0.667 nan 8.240 nan 0.000 0.455 1071 W N 1.926 123.212 121.300 -0.022 0.000 2.379 1071 W HA 0.117 4.777 4.660 0.001 0.000 0.307 1071 W C 1.830 178.326 176.519 -0.037 0.000 1.200 1071 W CA 0.554 57.886 57.345 -0.022 0.000 1.297 1071 W CB -0.570 28.865 29.460 -0.041 0.000 1.140 1071 W HN 0.164 nan 8.180 nan 0.000 0.507 1072 L N -0.266 120.872 121.223 -0.141 0.000 1.978 1072 L HA -0.287 4.053 4.340 0.001 0.000 0.218 1072 L C 2.546 179.199 176.870 -0.361 0.000 1.075 1072 L CA 2.123 56.667 54.840 -0.493 0.000 0.767 1072 L CB -1.260 40.584 42.059 -0.360 0.000 0.890 1072 L HN 0.030 nan 8.230 nan 0.000 0.434 1073 F N 0.324 120.130 119.950 -0.239 0.000 2.146 1073 F HA -0.218 4.309 4.527 0.001 0.000 0.298 1073 F C 2.572 178.288 175.800 -0.139 0.000 1.096 1073 F CA 1.928 59.859 58.000 -0.115 0.000 1.275 1073 F CB -0.360 38.631 39.000 -0.015 0.000 1.008 1073 F HN 0.015 nan 8.300 nan 0.000 0.480 1074 T N -1.091 113.448 114.554 -0.024 0.000 2.803 1074 T HA -0.183 4.168 4.350 0.001 0.000 0.269 1074 T C 2.148 176.699 174.700 -0.247 0.000 1.052 1074 T CA 1.611 63.653 62.100 -0.097 0.000 1.136 1074 T CB -0.453 68.374 68.868 -0.069 0.000 0.864 1074 T HN 0.204 nan 8.240 nan 0.000 0.467 1075 S N 0.817 116.256 115.700 -0.434 0.000 2.387 1075 S HA -0.015 4.455 4.470 0.001 0.000 0.226 1075 S C 2.344 176.754 174.600 -0.317 0.000 1.026 1075 S CA 0.495 58.411 58.200 -0.472 0.000 0.972 1075 S CB -0.382 62.332 63.200 -0.810 0.000 0.814 1075 S HN 0.300 nan 8.310 nan 0.000 0.477 1076 V N 2.345 122.095 119.914 -0.275 0.000 2.407 1076 V HA -0.141 3.980 4.120 0.001 0.000 0.248 1076 V C 2.119 178.044 176.094 -0.281 0.000 1.055 1076 V CA 1.448 63.599 62.300 -0.248 0.000 1.049 1076 V CB -0.738 30.907 31.823 -0.297 0.000 0.662 1076 V HN 0.419 nan 8.190 nan 0.000 0.455 1077 L N -0.623 120.415 121.223 -0.309 0.000 2.093 1077 L HA -0.157 4.183 4.340 0.001 0.000 0.208 1077 L C 2.535 179.301 176.870 -0.175 0.000 1.085 1077 L CA 1.532 56.235 54.840 -0.229 0.000 0.755 1077 L CB -0.586 41.371 42.059 -0.170 0.000 0.904 1077 L HN 0.258 nan 8.230 nan 0.000 0.435 1078 K N 0.165 120.453 120.400 -0.187 0.000 2.147 1078 K HA -0.117 4.203 4.320 0.001 0.000 0.205 1078 K C 2.156 178.621 176.600 -0.226 0.000 1.049 1078 K CA 1.176 57.356 56.287 -0.179 0.000 0.936 1078 K CB -0.495 31.898 32.500 -0.179 0.000 0.722 1078 K HN 0.394 nan 8.250 nan 0.000 0.446 1079 G N 1.573 110.231 108.800 -0.237 0.000 2.459 1079 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 1079 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 1079 G C 1.448 176.255 174.900 -0.155 0.000 1.183 1079 G CA 0.753 45.718 45.100 -0.225 0.000 0.776 1079 G HN 0.123 nan 8.290 nan 0.000 0.552 1080 L N -0.099 121.056 121.223 -0.114 0.000 2.131 1080 L HA -0.107 4.233 4.340 0.001 0.000 0.210 1080 L C 2.955 179.778 176.870 -0.077 0.000 1.092 1080 L CA 1.358 56.156 54.840 -0.070 0.000 0.759 1080 L CB -0.230 41.778 42.059 -0.086 0.000 0.903 1080 L HN 0.269 nan 8.230 nan 0.000 0.435 1081 Q N -0.819 118.913 119.800 -0.114 0.000 2.083 1081 Q HA -0.194 4.146 4.340 0.001 0.000 0.198 1081 Q C 2.160 178.086 176.000 -0.124 0.000 0.969 1081 Q CA 1.569 57.313 55.803 -0.099 0.000 0.838 1081 Q CB -0.051 28.633 28.738 -0.090 0.000 0.900 1081 Q HN 0.247 nan 8.270 nan 0.000 0.436 1082 M N -0.610 118.849 119.600 -0.235 0.000 2.081 1082 M HA -0.104 4.376 4.480 0.001 0.000 0.261 1082 M C 1.721 177.879 176.300 -0.236 0.000 1.075 1082 M CA 1.694 56.810 55.300 -0.305 0.000 1.133 1082 M CB -0.848 31.433 32.600 -0.532 0.000 1.330 1082 M HN 0.332 nan 8.290 nan 0.000 0.414 1083 H N -0.775 118.262 119.070 -0.054 0.000 2.435 1083 H HA 0.141 4.698 4.556 0.001 0.000 0.309 1083 H C 1.796 177.121 175.328 -0.004 0.000 1.041 1083 H CA 1.454 57.484 56.048 -0.030 0.000 1.277 1083 H CB -1.047 28.694 29.762 -0.035 0.000 1.455 1083 H HN 0.461 nan 8.280 nan 0.000 0.581 1084 G N 0.806 109.686 108.800 0.133 0.000 4.610 1084 G HA2 -0.484 3.477 3.960 0.001 0.000 0.323 1084 G HA3 -0.484 3.477 3.960 0.001 0.000 0.323 1084 G C 1.553 176.489 174.900 0.060 0.000 1.377 1084 G CA 1.923 47.056 45.100 0.056 0.000 1.023 1084 G HN 0.608 nan 8.290 nan 0.000 0.755 1085 Q N 0.382 120.219 119.800 0.062 0.000 2.188 1085 Q HA -0.292 4.048 4.340 0.001 0.000 0.217 1085 Q C 1.391 177.433 176.000 0.070 0.000 1.018 1085 Q CA 2.291 58.130 55.803 0.060 0.000 0.910 1085 Q CB -0.625 28.155 28.738 0.071 0.000 0.979 1085 Q HN 0.886 nan 8.270 nan 0.000 0.413 1086 H N 1.419 120.493 119.070 0.008 0.000 2.878 1086 H HA 0.062 4.618 4.556 0.001 0.000 0.290 1086 H C 0.136 175.442 175.328 -0.036 0.000 1.065 1086 H CA 0.235 56.272 56.048 -0.019 0.000 1.477 1086 H CB 0.870 30.609 29.762 -0.039 0.000 1.484 1086 H HN 0.325 nan 8.280 nan 0.000 0.504 1087 D N 2.609 122.798 120.400 -0.352 0.000 2.182 1087 D HA -0.125 4.516 4.640 0.001 0.000 0.201 1087 D C 2.216 178.384 176.300 -0.219 0.000 0.986 1087 D CA 1.675 55.526 54.000 -0.248 0.000 0.847 1087 D CB -0.147 40.512 40.800 -0.235 0.000 0.942 1087 D HN 0.822 nan 8.370 nan 0.000 0.467 1088 G N -0.408 108.195 108.800 -0.329 0.000 2.433 1088 G HA2 -0.273 3.687 3.960 0.001 0.000 0.216 1088 G HA3 -0.273 3.687 3.960 0.001 0.000 0.216 1088 G C 1.947 176.850 174.900 0.004 0.000 1.186 1088 G CA 1.044 46.094 45.100 -0.084 0.000 0.779 1088 G HN 0.404 nan 8.290 nan 0.000 0.543 1089 c N 0.289 118.942 118.600 0.089 0.000 2.442 1089 c HA -0.002 4.568 4.570 0.001 0.000 0.279 1089 c C 2.761 176.844 174.090 -0.012 0.000 1.237 1089 c CA 1.190 57.505 56.329 -0.024 0.000 1.722 1089 c CB -0.951 41.487 42.510 -0.119 0.000 2.056 1089 c HN 0.549 nan 8.230 nan 0.000 0.469 1090 M N 1.537 121.139 119.600 0.002 0.000 2.082 1090 M HA -0.230 4.250 4.480 0.001 0.000 0.258 1090 M C 2.399 178.678 176.300 -0.036 0.000 1.071 1090 M CA 2.593 57.885 55.300 -0.014 0.000 1.103 1090 M CB -0.538 32.049 32.600 -0.021 0.000 1.307 1090 M HN 0.396 nan 8.290 nan 0.000 0.409 1091 A N -0.642 122.147 122.820 -0.051 0.000 1.892 1091 A HA -0.224 4.096 4.320 0.001 0.000 0.218 1091 A C 2.242 179.807 177.584 -0.032 0.000 1.188 1091 A CA 2.549 54.551 52.037 -0.059 0.000 0.631 1091 A CB -1.313 17.639 19.000 -0.079 0.000 0.822 1091 A HN 0.671 nan 8.150 nan 0.000 0.447 1092 S N -1.026 114.656 115.700 -0.029 0.000 2.402 1092 S HA -0.012 4.458 4.470 0.001 0.000 0.229 1092 S C 1.826 176.433 174.600 0.011 0.000 1.021 1092 S CA 1.276 59.472 58.200 -0.006 0.000 0.974 1092 S CB -0.407 62.777 63.200 -0.028 0.000 0.800 1092 S HN 0.470 nan 8.310 nan 0.000 0.484 1093 L N 0.463 121.677 121.223 -0.016 0.000 2.209 1093 L HA 0.066 4.407 4.340 0.001 0.000 0.207 1093 L C 2.353 179.199 176.870 -0.040 0.000 1.094 1093 L CA 0.347 55.165 54.840 -0.037 0.000 0.790 1093 L CB -0.314 41.721 42.059 -0.040 0.000 0.932 1093 L HN 0.183 nan 8.230 nan 0.000 0.447 1094 V N -0.377 119.523 119.914 -0.023 0.000 2.261 1094 V HA -0.346 3.774 4.120 0.001 0.000 0.246 1094 V C 2.488 178.605 176.094 0.039 0.000 1.047 1094 V CA 2.220 64.507 62.300 -0.022 0.000 1.015 1094 V CB -0.612 31.182 31.823 -0.048 0.000 0.642 1094 V HN 0.504 nan 8.190 nan 0.000 0.446 1095 H N -0.257 118.783 119.070 -0.051 0.000 2.319 1095 H HA -0.181 4.376 4.556 0.001 0.000 0.297 1095 H C 2.111 177.449 175.328 0.017 0.000 1.097 1095 H CA 2.169 58.207 56.048 -0.016 0.000 1.285 1095 H CB -0.272 29.453 29.762 -0.061 0.000 1.368 1095 H HN 0.234 nan 8.280 nan 0.000 0.495 1096 L N 0.018 121.198 121.223 -0.071 0.000 2.046 1096 L HA -0.093 4.248 4.340 0.001 0.000 0.208 1096 L C 2.367 179.209 176.870 -0.045 0.000 1.077 1096 L CA 1.769 56.543 54.840 -0.110 0.000 0.747 1096 L CB -1.431 40.607 42.059 -0.034 0.000 0.896 1096 L HN 0.499 nan 8.230 nan 0.000 0.432 1097 A N -0.484 122.309 122.820 -0.044 0.000 1.940 1097 A HA -0.304 4.016 4.320 0.001 0.000 0.219 1097 A C 2.111 179.819 177.584 0.206 0.000 1.176 1097 A CA 1.736 53.730 52.037 -0.071 0.000 0.631 1097 A CB -0.983 17.897 19.000 -0.200 0.000 0.814 1097 A HN 0.500 nan 8.150 nan 0.000 0.446 1098 F N 0.642 120.585 119.950 -0.011 0.000 2.186 1098 F HA -0.151 4.376 4.527 0.001 0.000 0.299 1098 F C 2.425 178.217 175.800 -0.013 0.000 1.090 1098 F CA 2.029 60.046 58.000 0.028 0.000 1.307 1098 F CB -0.339 38.632 39.000 -0.049 0.000 1.019 1098 F HN 0.326 nan 8.300 nan 0.000 0.489 1099 Q N -0.174 119.505 119.800 -0.202 0.000 2.172 1099 Q HA -0.105 4.236 4.340 0.001 0.000 0.200 1099 Q C 2.242 178.149 176.000 -0.156 0.000 0.964 1099 Q CA 1.659 57.162 55.803 -0.501 0.000 0.855 1099 Q CB -0.069 27.992 28.738 -1.129 0.000 0.918 1099 Q HN 0.481 nan 8.270 nan 0.000 0.444 1100 I N -1.067 119.597 120.570 0.157 0.000 2.333 1100 I HA -0.218 3.952 4.170 0.001 0.000 0.246 1100 I C 1.751 178.034 176.117 0.276 0.000 1.106 1100 I CA 0.832 62.353 61.300 0.369 0.000 1.411 1100 I CB -0.064 38.232 38.000 0.493 0.000 1.082 1100 I HN 0.154 nan 8.210 nan 0.000 0.420 1101 Y N 1.310 121.728 120.300 0.197 0.000 2.571 1101 Y HA -0.089 4.461 4.550 0.001 0.000 0.294 1101 Y C 2.226 178.076 175.900 -0.083 0.000 1.141 1101 Y CA 1.166 59.266 58.100 -0.000 0.000 1.308 1101 Y CB 0.071 38.571 38.460 0.068 0.000 1.002 1101 Y HN 0.182 nan 8.280 nan 0.000 0.551 1102 E N -1.520 118.650 120.200 -0.049 0.000 2.244 1102 E HA 0.087 4.437 4.350 0.001 0.000 0.196 1102 E C 1.999 178.553 176.600 -0.076 0.000 0.939 1102 E CA 0.556 56.866 56.400 -0.150 0.000 0.884 1102 E CB 0.131 29.627 29.700 -0.340 0.000 0.850 1102 E HN 0.336 nan 8.360 nan 0.000 0.481 1103 A N 0.466 123.301 122.820 0.026 0.000 2.169 1103 A HA 0.085 4.406 4.320 0.001 0.000 0.212 1103 A C 1.822 179.435 177.584 0.048 0.000 1.153 1103 A CA 0.520 52.617 52.037 0.100 0.000 0.756 1103 A CB 0.056 19.242 19.000 0.310 0.000 0.813 1103 A HN 0.124 nan 8.150 nan 0.000 0.471 1104 L N -2.425 118.791 121.223 -0.012 0.000 2.642 1104 L HA 0.221 4.561 4.340 0.001 0.000 0.233 1104 L C 2.199 179.001 176.870 -0.115 0.000 1.077 1104 L CA 0.134 54.949 54.840 -0.042 0.000 0.879 1104 L CB 0.280 42.296 42.059 -0.072 0.000 1.151 1104 L HN 0.227 nan 8.230 nan 0.000 0.495 1105 R N 0.927 121.259 120.500 -0.281 0.000 2.240 1105 R HA 0.018 4.359 4.340 0.001 0.000 0.203 1105 R C -0.845 175.339 176.300 -0.194 0.000 1.011 1105 R CA 0.528 56.412 56.100 -0.359 0.000 1.007 1105 R CB -0.994 28.839 30.300 -0.778 0.000 0.911 1105 R HN 0.189 nan 8.270 nan 0.000 0.468 1106 P HA -0.067 nan 4.420 nan 0.000 0.226 1106 P C 0.317 177.569 177.300 -0.080 0.000 1.153 1106 P CA 1.143 64.187 63.100 -0.093 0.000 0.777 1106 P CB 0.238 31.895 31.700 -0.071 0.000 0.794 1107 R N -2.044 118.423 120.500 -0.055 0.000 2.125 1107 R HA 0.178 4.519 4.340 0.001 0.000 0.195 1107 R C 0.537 176.718 176.300 -0.199 0.000 1.138 1107 R CA 0.250 56.289 56.100 -0.102 0.000 1.123 1107 R CB -0.127 30.163 30.300 -0.017 0.000 1.049 1107 R HN 0.134 nan 8.270 nan 0.000 0.503 1108 Y N 0.665 120.896 120.300 -0.115 0.000 2.376 1108 Y HA 0.245 4.796 4.550 0.001 0.000 0.325 1108 Y C 1.136 176.953 175.900 -0.138 0.000 1.199 1108 Y CA -0.379 57.655 58.100 -0.111 0.000 1.206 1108 Y CB 1.089 39.484 38.460 -0.108 0.000 1.229 1108 Y HN -0.075 nan 8.280 nan 0.000 0.480 1109 L N 0.386 121.630 121.223 0.035 0.000 2.731 1109 L HA 0.244 4.584 4.340 0.001 0.000 0.240 1109 L C 1.106 177.970 176.870 -0.010 0.000 1.120 1109 L CA 0.285 55.111 54.840 -0.023 0.000 0.913 1109 L CB 0.180 42.218 42.059 -0.035 0.000 1.213 1109 L HN 0.681 nan 8.230 nan 0.000 0.515 1110 E N 0.781 120.996 120.200 0.024 0.000 2.489 1110 E HA 0.011 4.361 4.350 0.001 0.000 0.193 1110 E C 1.844 178.427 176.600 -0.028 0.000 1.057 1110 E CA 0.207 56.615 56.400 0.013 0.000 0.866 1110 E CB 0.357 30.082 29.700 0.042 0.000 0.916 1110 E HN 0.423 nan 8.360 nan 0.000 0.500 1111 I N 0.501 121.010 120.570 -0.101 0.000 2.226 1111 I HA -0.238 3.932 4.170 0.001 0.000 0.245 1111 I C 2.448 178.534 176.117 -0.051 0.000 1.100 1111 I CA 1.245 62.420 61.300 -0.208 0.000 1.374 1111 I CB -0.981 36.719 38.000 -0.501 0.000 1.057 1111 I HN 0.086 nan 8.210 nan 0.000 0.413 1112 R N 1.444 121.955 120.500 0.019 0.000 2.115 1112 R HA -0.068 4.272 4.340 0.001 0.000 0.230 1112 R C 2.432 178.773 176.300 0.068 0.000 1.111 1112 R CA 1.279 57.450 56.100 0.117 0.000 0.976 1112 R CB -0.107 30.256 30.300 0.104 0.000 0.870 1112 R HN 0.354 nan 8.270 nan 0.000 0.445 1113 A N 0.290 123.133 122.820 0.039 0.000 1.917 1113 A HA -0.158 4.162 4.320 0.001 0.000 0.219 1113 A C 2.180 179.795 177.584 0.051 0.000 1.182 1113 A CA 1.908 53.969 52.037 0.040 0.000 0.633 1113 A CB -0.588 18.432 19.000 0.033 0.000 0.819 1113 A HN 0.225 nan 8.150 nan 0.000 0.448 1114 V N -0.322 119.627 119.914 0.058 0.000 2.307 1114 V HA -0.281 3.839 4.120 0.001 0.000 0.245 1114 V C 2.624 178.781 176.094 0.105 0.000 1.045 1114 V CA 1.873 64.228 62.300 0.092 0.000 1.024 1114 V CB -0.758 31.144 31.823 0.132 0.000 0.651 1114 V HN 0.500 nan 8.190 nan 0.000 0.449 1115 M N -0.071 119.587 119.600 0.096 0.000 2.144 1115 M HA -0.226 4.255 4.480 0.001 0.000 0.260 1115 M C 2.111 178.444 176.300 0.055 0.000 1.067 1115 M CA 1.818 57.165 55.300 0.079 0.000 1.095 1115 M CB -1.030 31.589 32.600 0.033 0.000 1.365 1115 M HN 0.494 nan 8.290 nan 0.000 0.406 1116 E N -0.705 119.526 120.200 0.052 0.000 2.427 1116 E HA -0.134 4.217 4.350 0.001 0.000 0.196 1116 E C 1.798 178.419 176.600 0.036 0.000 1.028 1116 E CA 0.366 56.790 56.400 0.039 0.000 0.864 1116 E CB -0.020 29.703 29.700 0.038 0.000 0.813 1116 E HN 0.619 nan 8.360 nan 0.000 0.514 1117 Q N 0.277 120.102 119.800 0.043 0.000 2.435 1117 Q HA 0.057 4.397 4.340 0.001 0.000 0.207 1117 Q C 0.319 176.338 176.000 0.031 0.000 0.956 1117 Q CA 0.179 56.004 55.803 0.037 0.000 0.917 1117 Q CB 0.207 28.970 28.738 0.042 0.000 0.997 1117 Q HN 0.280 nan 8.270 nan 0.000 0.497 1118 I N 3.200 123.790 120.570 0.033 0.000 2.598 1118 I HA 0.026 4.196 4.170 0.001 0.000 0.284 1118 I C -2.003 174.122 176.117 0.012 0.000 1.140 1118 I CA -1.876 59.437 61.300 0.022 0.000 1.420 1118 I CB 0.085 38.098 38.000 0.022 0.000 1.387 1118 I HN -0.111 nan 8.210 nan 0.000 0.553 1119 P HA -0.040 nan 4.420 nan 0.000 0.266 1119 P C -0.631 176.669 177.300 -0.001 0.000 1.193 1119 P CA -0.006 63.096 63.100 0.004 0.000 0.770 1119 P CB 0.181 31.882 31.700 0.002 0.000 0.836 1120 E N 0.664 120.865 120.200 0.000 0.000 2.194 1120 E HA -0.195 4.155 4.350 0.001 0.000 0.206 1120 E C -0.514 176.083 176.600 -0.006 0.000 1.712 1120 E CA 0.925 57.324 56.400 -0.002 0.000 0.709 1120 E CB -1.536 28.161 29.700 -0.005 0.000 0.986 1120 E HN 0.324 nan 8.360 nan 0.000 0.310 1121 I N 2.328 122.897 120.570 -0.001 0.000 2.439 1121 I HA 0.116 4.286 4.170 0.001 0.000 0.285 1121 I C 0.041 176.159 176.117 0.002 0.000 1.021 1121 I CA -1.120 60.178 61.300 -0.003 0.000 1.091 1121 I CB 1.662 39.662 38.000 0.000 0.000 1.242 1121 I HN 0.250 nan 8.210 nan 0.000 0.439 1122 Q N 5.309 125.109 119.800 0.000 0.000 2.281 1122 Q HA 0.091 4.432 4.340 0.001 0.000 0.267 1122 Q C 0.856 176.865 176.000 0.014 0.000 1.053 1122 Q CA -0.042 55.765 55.803 0.007 0.000 0.905 1122 Q CB 0.680 29.422 28.738 0.005 0.000 1.195 1122 Q HN 0.262 nan 8.270 nan 0.000 0.398 1123 K N 1.901 122.312 120.400 0.019 0.000 2.147 1123 K HA -0.127 4.193 4.320 0.001 0.000 0.205 1123 K C 0.615 177.235 176.600 0.033 0.000 1.049 1123 K CA 1.017 57.320 56.287 0.027 0.000 0.936 1123 K CB 0.171 32.686 32.500 0.025 0.000 0.722 1123 K HN 0.607 nan 8.250 nan 0.000 0.446 1124 D N 0.427 120.843 120.400 0.028 0.000 2.117 1124 D HA -0.091 4.549 4.640 0.001 0.000 0.198 1124 D C 1.809 178.133 176.300 0.040 0.000 0.982 1124 D CA 1.565 55.584 54.000 0.031 0.000 0.828 1124 D CB 0.100 40.914 40.800 0.023 0.000 0.967 1124 D HN 0.252 nan 8.370 nan 0.000 0.464 1125 S N 0.501 116.222 115.700 0.036 0.000 2.428 1125 S HA -0.060 4.410 4.470 0.001 0.000 0.230 1125 S C 2.174 176.818 174.600 0.073 0.000 1.014 1125 S CA 0.158 58.385 58.200 0.044 0.000 0.957 1125 S CB -0.458 62.752 63.200 0.018 0.000 0.784 1125 S HN 0.188 nan 8.310 nan 0.000 0.499 1126 L N 1.803 123.066 121.223 0.065 0.000 2.027 1126 L HA -0.120 4.221 4.340 0.001 0.000 0.206 1126 L C 2.236 179.187 176.870 0.135 0.000 1.074 1126 L CA 1.851 56.750 54.840 0.097 0.000 0.745 1126 L CB -0.484 41.614 42.059 0.066 0.000 0.898 1126 L HN 0.209 nan 8.230 nan 0.000 0.433 1127 D N -0.655 119.800 120.400 0.091 0.000 2.104 1127 D HA -0.258 4.382 4.640 0.001 0.000 0.194 1127 D C 2.030 178.378 176.300 0.081 0.000 0.994 1127 D CA 1.213 55.258 54.000 0.076 0.000 0.830 1127 D CB -0.116 40.714 40.800 0.050 0.000 0.959 1127 D HN 0.399 nan 8.370 nan 0.000 0.452 1128 Q N 0.008 119.863 119.800 0.092 0.000 2.096 1128 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 1128 Q C 2.144 178.223 176.000 0.131 0.000 0.982 1128 Q CA 1.088 56.947 55.803 0.094 0.000 0.850 1128 Q CB -0.488 28.305 28.738 0.092 0.000 0.901 1128 Q HN 0.301 nan 8.270 nan 0.000 0.422 1129 F N 1.480 121.452 119.950 0.038 0.000 2.259 1129 F HA -0.103 4.424 4.527 0.001 0.000 0.298 1129 F C 1.978 177.820 175.800 0.070 0.000 1.088 1129 F CA 1.346 59.379 58.000 0.055 0.000 1.358 1129 F CB -0.178 38.855 39.000 0.056 0.000 1.040 1129 F HN 0.117 nan 8.300 nan 0.000 0.505 1130 D N -0.261 120.198 120.400 0.099 0.000 2.117 1130 D HA -0.198 4.442 4.640 0.001 0.000 0.197 1130 D C 2.128 178.391 176.300 -0.061 0.000 0.987 1130 D CA 1.641 55.666 54.000 0.041 0.000 0.829 1130 D CB -0.179 40.683 40.800 0.102 0.000 0.961 1130 D HN 0.364 nan 8.370 nan 0.000 0.460 1131 C N 0.424 119.697 119.300 -0.044 0.000 2.495 1131 C HA 0.096 4.556 4.460 0.001 0.000 0.275 1131 C C 2.442 177.381 174.990 -0.085 0.000 1.392 1131 C CA -0.326 58.661 59.018 -0.053 0.000 1.766 1131 C CB -0.518 27.210 27.740 -0.020 0.000 1.933 1131 C HN 0.339 nan 8.230 nan 0.000 0.519 1132 K N 0.911 121.235 120.400 -0.127 0.000 2.097 1132 K HA -0.071 4.249 4.320 0.001 0.000 0.206 1132 K C 1.566 178.063 176.600 -0.172 0.000 1.049 1132 K CA 1.250 57.452 56.287 -0.141 0.000 0.933 1132 K CB -0.078 32.322 32.500 -0.167 0.000 0.717 1132 K HN 0.480 nan 8.250 nan 0.000 0.442 1133 L N 0.375 121.452 121.223 -0.243 0.000 2.529 1133 L HA 0.069 4.410 4.340 0.001 0.000 0.223 1133 L C 1.264 178.056 176.870 -0.131 0.000 1.113 1133 L CA 0.027 54.746 54.840 -0.201 0.000 0.861 1133 L CB 0.283 42.178 42.059 -0.272 0.000 1.012 1133 L HN 0.100 nan 8.230 nan 0.000 0.461 1134 L N -0.022 121.133 121.223 -0.113 0.000 2.688 1134 L HA 0.140 4.480 4.340 0.001 0.000 0.234 1134 L C 1.023 177.856 176.870 -0.062 0.000 1.192 1134 L CA -0.084 54.707 54.840 -0.081 0.000 0.984 1134 L CB -0.263 41.753 42.059 -0.072 0.000 1.232 1134 L HN 0.290 nan 8.230 nan 0.000 0.465 1135 N N -0.793 117.871 118.700 -0.060 0.000 2.979 1135 N HA 0.207 4.947 4.740 0.001 0.000 0.247 1135 N C -1.173 174.314 175.510 -0.037 0.000 1.012 1135 N CA 0.149 53.173 53.050 -0.044 0.000 1.061 1135 N CB -0.716 37.748 38.487 -0.038 0.000 1.677 1135 N HN 0.179 nan 8.380 nan 0.000 0.558 1136 P HA 0.000 nan 4.420 nan 0.000 0.216 1136 P CA 0.000 63.083 63.100 -0.028 0.000 0.800 1136 P CB 0.000 31.686 31.700 -0.023 0.000 0.726