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 2z5j_1_A DATA FIRST_RESID 5 DATA SEQUENCE WKPDEQGLQQ ILQLLKESQS PDTTIQRTVQ QKLEQLNQYP DFNNYLIFVL DATA SEQUENCE TKLKSEDEPT RSLSGLILKN NVKAHFQNFP NGVTDFIKSE CLNNIGDSSP DATA SEQUENCE LIRATVGILI TTIASKGELQ NWPDLLPKLC SLLDSEDYNT CEGAFGALQK DATA SEQUENCE ICEDSAEILD SDVLDRPLNI MIPKFLQFFK HSSPKIRSHA VACVNQFIIS DATA SEQUENCE RTQALMLHID SFIENLFALA GDEEPEVRKN VCRALVMLLE VRMDRLLPHM DATA SEQUENCE HNIVEYMLQR TQDQDENVAL EAcEFWLTLA EQPICKDVLV RHLPKLIPVL DATA SEQUENCE VNGMKYSDID IILLKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXSDWN LRKcSAAALD VLANVYRDEL LPHILPLLKE DATA SEQUENCE LLFHHEWVVK ESGILVLGAI AEGCMQGMIP YLPELIPHLI QCLSDKKALV DATA SEQUENCE RSITCWTLSR YAHWVVSQPP DTYLKPLMTE LLKRILDSNK RVQEAACSAF DATA SEQUENCE ATLEEEACTE LVPYLAYILD TLVFAFSKYQ HKNLLILYDA IGTLADSVGH DATA SEQUENCE HLNKPEYIQM LMPPLIQKWN MLKDEDKDLF PLLECLSSVA TALQSGFLPY DATA SEQUENCE CEPVYQRCVN LVQKTLAQAM LNNAQPDQYE APDKDFMIVA LDLLSGLAEG DATA SEQUENCE LGGNIEQLVA RSNILTLMYQ CMQDKMPEVR QSSFALLGDL TKACFQHVKP DATA SEQUENCE CIADFMPILG TNLNPEFISV CNNATWAIGE ISIQMGIEMQ PYIPMVLHQL DATA SEQUENCE VEIINRPNTP KTLLENTAIT IGRLGYVCPQ EVAPMLQQFI RPWCTSLRNI DATA SEQUENCE RDNEEKDSAF RGICTMISVN PSGVIQDFIF FCDAVASWIN PKDDLRDMFC DATA SEQUENCE KILHGFKNQV GDENWRRFSD QFPLPLKERL AAFYGV 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 5 W HA 0.000 nan 4.660 nan 0.000 0.303 5 W C 0.000 176.461 176.519 -0.097 0.000 1.175 5 W CA 0.000 57.294 57.345 -0.086 0.000 1.226 5 W CB 0.000 29.413 29.460 -0.079 0.000 1.126 6 K N -0.348 120.167 120.400 0.192 0.000 1.651 6 K HA -0.192 4.126 4.320 -0.003 0.000 0.834 6 K C -2.129 174.363 176.600 -0.180 0.000 2.110 6 K CA 0.789 57.123 56.287 0.078 0.000 1.429 6 K CB -2.160 30.392 32.500 0.086 0.000 2.697 6 K HN 0.048 nan 8.250 nan 0.000 0.201 7 P HA -0.294 nan 4.420 nan 0.000 0.241 7 P C -0.692 176.504 177.300 -0.173 0.000 0.811 7 P CA 1.910 64.852 63.100 -0.262 0.000 1.119 7 P CB -0.205 31.448 31.700 -0.078 0.000 0.732 8 D N -1.451 118.943 120.400 -0.011 0.000 5.070 8 D HA -0.181 4.457 4.640 -0.003 0.000 0.239 8 D C 0.857 177.205 176.300 0.080 0.000 1.194 8 D CA 0.628 54.677 54.000 0.081 0.000 1.284 8 D CB -0.114 40.806 40.800 0.201 0.000 0.729 8 D HN 0.243 nan 8.370 nan 0.000 0.365 9 E N 3.224 123.453 120.200 0.049 0.000 2.005 9 E HA -0.245 4.103 4.350 -0.003 0.000 0.198 9 E C 1.862 178.493 176.600 0.052 0.000 1.010 9 E CA 2.642 59.064 56.400 0.037 0.000 0.825 9 E CB -0.093 29.621 29.700 0.024 0.000 0.769 9 E HN 0.628 nan 8.360 nan 0.000 0.456 10 Q N -0.134 119.691 119.800 0.041 0.000 2.082 10 Q HA -0.151 4.187 4.340 -0.003 0.000 0.211 10 Q C 2.216 178.224 176.000 0.014 0.000 1.002 10 Q CA 2.009 57.823 55.803 0.019 0.000 0.868 10 Q CB -1.140 27.602 28.738 0.006 0.000 0.931 10 Q HN 0.462 nan 8.270 nan 0.000 0.414 11 G N 0.921 109.737 108.800 0.026 0.000 2.480 11 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.216 11 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.216 11 G C 1.298 176.248 174.900 0.084 0.000 1.200 11 G CA 0.792 45.857 45.100 -0.058 0.000 0.782 11 G HN 0.278 nan 8.290 nan 0.000 0.554 12 L N 0.380 121.776 121.223 0.288 0.000 2.043 12 L HA -0.120 4.218 4.340 -0.003 0.000 0.212 12 L C 2.879 179.809 176.870 0.100 0.000 1.075 12 L CA 2.052 57.019 54.840 0.211 0.000 0.752 12 L CB -0.766 41.325 42.059 0.055 0.000 0.891 12 L HN 0.266 nan 8.230 nan 0.000 0.432 13 Q N -0.746 119.090 119.800 0.060 0.000 2.049 13 Q HA -0.234 4.104 4.340 -0.003 0.000 0.198 13 Q C 2.037 178.052 176.000 0.024 0.000 0.971 13 Q CA 1.484 57.307 55.803 0.034 0.000 0.833 13 Q CB -0.456 28.295 28.738 0.021 0.000 0.896 13 Q HN 0.614 nan 8.270 nan 0.000 0.434 14 Q N 0.075 119.879 119.800 0.007 0.000 2.096 14 Q HA -0.159 4.179 4.340 -0.003 0.000 0.204 14 Q C 1.995 177.997 176.000 0.004 0.000 0.982 14 Q CA 1.096 56.889 55.803 -0.018 0.000 0.850 14 Q CB 0.005 28.705 28.738 -0.063 0.000 0.901 14 Q HN 0.248 nan 8.270 nan 0.000 0.422 15 I N 0.576 121.166 120.570 0.034 0.000 2.127 15 I HA -0.308 3.860 4.170 -0.003 0.000 0.241 15 I C 2.347 178.509 176.117 0.075 0.000 1.075 15 I CA 1.359 62.710 61.300 0.085 0.000 1.334 15 I CB -1.037 37.054 38.000 0.151 0.000 1.040 15 I HN 0.408 nan 8.210 nan 0.000 0.405 16 L N -0.065 121.197 121.223 0.066 0.000 2.012 16 L HA -0.289 4.049 4.340 -0.003 0.000 0.210 16 L C 2.656 179.550 176.870 0.040 0.000 1.073 16 L CA 1.604 56.476 54.840 0.053 0.000 0.748 16 L CB -0.485 41.602 42.059 0.046 0.000 0.891 16 L HN 0.378 nan 8.230 nan 0.000 0.431 17 Q N -0.243 119.574 119.800 0.029 0.000 2.172 17 Q HA -0.226 4.112 4.340 -0.003 0.000 0.200 17 Q C 2.221 178.233 176.000 0.020 0.000 0.964 17 Q CA 1.052 56.867 55.803 0.019 0.000 0.855 17 Q CB 0.027 28.770 28.738 0.009 0.000 0.918 17 Q HN 0.401 nan 8.270 nan 0.000 0.444 18 L N 0.260 121.498 121.223 0.025 0.000 2.017 18 L HA -0.180 4.158 4.340 -0.003 0.000 0.208 18 L C 1.860 178.756 176.870 0.044 0.000 1.073 18 L CA 1.660 56.519 54.840 0.031 0.000 0.745 18 L CB -0.286 41.800 42.059 0.045 0.000 0.894 18 L HN 0.277 nan 8.230 nan 0.000 0.432 19 L N -0.743 120.511 121.223 0.053 0.000 2.141 19 L HA -0.161 4.177 4.340 -0.003 0.000 0.209 19 L C 2.546 179.438 176.870 0.038 0.000 1.094 19 L CA 1.136 56.007 54.840 0.051 0.000 0.763 19 L CB -0.576 41.516 42.059 0.054 0.000 0.908 19 L HN 0.256 nan 8.230 nan 0.000 0.437 20 K N 0.779 121.198 120.400 0.032 0.000 2.103 20 K HA -0.115 4.203 4.320 -0.003 0.000 0.204 20 K C 1.797 178.409 176.600 0.021 0.000 1.052 20 K CA 1.140 57.442 56.287 0.025 0.000 0.945 20 K CB 0.003 32.516 32.500 0.022 0.000 0.722 20 K HN 0.170 nan 8.250 nan 0.000 0.443 21 E N -0.177 120.034 120.200 0.019 0.000 2.515 21 E HA -0.095 4.253 4.350 -0.003 0.000 0.201 21 E C 1.263 177.874 176.600 0.018 0.000 1.071 21 E CA 0.295 56.703 56.400 0.015 0.000 0.880 21 E CB 0.124 29.830 29.700 0.010 0.000 0.828 21 E HN 0.219 nan 8.360 nan 0.000 0.540 22 S N 0.617 116.332 115.700 0.024 0.000 2.387 22 S HA -0.095 4.373 4.470 -0.003 0.000 0.221 22 S C 1.586 176.200 174.600 0.023 0.000 1.041 22 S CA 0.645 58.861 58.200 0.027 0.000 0.959 22 S CB 0.221 63.443 63.200 0.035 0.000 0.843 22 S HN 0.142 nan 8.310 nan 0.000 0.488 23 Q N 1.519 121.332 119.800 0.022 0.000 2.482 23 Q HA 0.265 4.603 4.340 -0.003 0.000 0.209 23 Q C 0.645 176.654 176.000 0.015 0.000 0.961 23 Q CA -0.044 55.770 55.803 0.019 0.000 0.945 23 Q CB -0.151 28.598 28.738 0.019 0.000 1.012 23 Q HN 0.299 nan 8.270 nan 0.000 0.515 24 S N 1.689 117.397 115.700 0.014 0.000 2.546 24 S HA 0.030 4.499 4.470 -0.003 0.000 0.290 24 S C -1.778 172.828 174.600 0.011 0.000 1.290 24 S CA -1.195 57.012 58.200 0.011 0.000 1.069 24 S CB 0.508 63.714 63.200 0.010 0.000 0.846 24 S HN 0.075 nan 8.310 nan 0.000 0.495 25 P HA 0.111 nan 4.420 nan 0.000 0.252 25 P C -0.169 177.135 177.300 0.008 0.000 1.265 25 P CA 0.135 63.241 63.100 0.009 0.000 0.775 25 P CB -0.024 31.681 31.700 0.008 0.000 1.128 26 D N -1.003 119.401 120.400 0.007 0.000 2.283 26 D HA 0.111 4.749 4.640 -0.003 0.000 0.248 26 D C 0.778 177.082 176.300 0.007 0.000 1.072 26 D CA 0.164 54.168 54.000 0.006 0.000 0.929 26 D CB 1.581 42.385 40.800 0.005 0.000 1.182 26 D HN -0.105 nan 8.370 nan 0.000 0.433 27 T N 0.751 115.308 114.554 0.006 0.000 2.983 27 T HA -0.065 4.283 4.350 -0.003 0.000 0.250 27 T C 1.800 176.503 174.700 0.005 0.000 1.037 27 T CA 1.193 63.296 62.100 0.006 0.000 1.142 27 T CB -0.029 68.842 68.868 0.005 0.000 0.876 27 T HN 0.590 nan 8.240 nan 0.000 0.455 28 T N 1.167 115.723 114.554 0.003 0.000 3.023 28 T HA 0.125 4.473 4.350 -0.003 0.000 0.266 28 T C 1.902 176.602 174.700 0.001 0.000 1.093 28 T CA 0.200 62.301 62.100 0.002 0.000 1.129 28 T CB -0.300 68.568 68.868 0.000 0.000 0.899 28 T HN 0.127 nan 8.240 nan 0.000 0.491 29 I N 1.476 122.047 120.570 0.002 0.000 2.394 29 I HA -0.097 4.071 4.170 -0.003 0.000 0.251 29 I C 2.679 178.798 176.117 0.004 0.000 1.136 29 I CA 1.158 62.460 61.300 0.002 0.000 1.425 29 I CB -0.831 37.171 38.000 0.004 0.000 1.079 29 I HN 0.313 nan 8.210 nan 0.000 0.425 30 Q N 0.927 120.731 119.800 0.007 0.000 2.020 30 Q HA -0.213 4.125 4.340 -0.003 0.000 0.202 30 Q C 2.172 178.177 176.000 0.008 0.000 0.982 30 Q CA 1.667 57.476 55.803 0.010 0.000 0.838 30 Q CB -0.550 28.196 28.738 0.012 0.000 0.899 30 Q HN 0.595 nan 8.270 nan 0.000 0.423 31 R N 0.337 120.840 120.500 0.005 0.000 2.249 31 R HA -0.060 4.278 4.340 -0.003 0.000 0.230 31 R C 1.873 178.172 176.300 -0.002 0.000 1.121 31 R CA 1.711 57.812 56.100 0.003 0.000 0.997 31 R CB -1.171 29.129 30.300 0.001 0.000 0.867 31 R HN 0.078 nan 8.270 nan 0.000 0.465 32 T N 1.074 115.625 114.554 -0.004 0.000 2.668 32 T HA -0.077 4.271 4.350 -0.003 0.000 0.258 32 T C 1.838 176.531 174.700 -0.012 0.000 1.051 32 T CA 1.591 63.685 62.100 -0.011 0.000 1.155 32 T CB -0.534 68.327 68.868 -0.011 0.000 0.864 32 T HN 0.253 nan 8.240 nan 0.000 0.413 33 V N 0.582 120.494 119.914 -0.003 0.000 3.140 33 V HA -0.136 3.982 4.120 -0.003 0.000 0.269 33 V C 2.071 178.170 176.094 0.009 0.000 1.149 33 V CA 1.071 63.373 62.300 0.003 0.000 1.162 33 V CB -1.008 30.826 31.823 0.018 0.000 0.756 33 V HN 0.209 nan 8.190 nan 0.000 0.523 34 Q N 0.811 120.614 119.800 0.006 0.000 1.961 34 Q HA -0.097 4.241 4.340 -0.003 0.000 0.197 34 Q C 2.290 178.288 176.000 -0.004 0.000 0.977 34 Q CA 2.159 57.970 55.803 0.012 0.000 0.830 34 Q CB -0.687 28.059 28.738 0.014 0.000 0.896 34 Q HN 0.765 nan 8.270 nan 0.000 0.437 35 Q N 0.397 120.188 119.800 -0.015 0.000 2.119 35 Q HA -0.104 4.234 4.340 -0.003 0.000 0.201 35 Q C 1.219 177.182 176.000 -0.062 0.000 0.972 35 Q CA 0.917 56.700 55.803 -0.032 0.000 0.847 35 Q CB 0.252 28.973 28.738 -0.029 0.000 0.903 35 Q HN 0.033 nan 8.270 nan 0.000 0.433 36 K N 0.228 120.592 120.400 -0.060 0.000 2.555 36 K HA -0.047 4.271 4.320 -0.003 0.000 0.193 36 K C 1.359 177.885 176.600 -0.122 0.000 1.032 36 K CA 0.435 56.669 56.287 -0.089 0.000 1.004 36 K CB 0.123 32.583 32.500 -0.068 0.000 0.804 36 K HN 0.294 nan 8.250 nan 0.000 0.496 37 L N -0.677 120.484 121.223 -0.103 0.000 2.586 37 L HA 0.109 4.447 4.340 -0.003 0.000 0.204 37 L C 2.160 178.920 176.870 -0.183 0.000 1.053 37 L CA 0.280 55.036 54.840 -0.140 0.000 0.856 37 L CB 0.156 42.219 42.059 0.007 0.000 1.192 37 L HN 0.006 nan 8.230 nan 0.000 0.484 38 E N -0.015 120.136 120.200 -0.082 0.000 2.233 38 E HA -0.319 4.029 4.350 -0.003 0.000 0.199 38 E C 1.774 178.294 176.600 -0.134 0.000 1.004 38 E CA 1.713 58.075 56.400 -0.063 0.000 0.819 38 E CB 0.113 29.805 29.700 -0.013 0.000 0.738 38 E HN 0.619 nan 8.360 nan 0.000 0.478 39 Q N -0.288 119.412 119.800 -0.167 0.000 2.083 39 Q HA -0.060 4.278 4.340 -0.003 0.000 0.198 39 Q C 2.376 178.206 176.000 -0.283 0.000 0.969 39 Q CA 1.061 56.751 55.803 -0.188 0.000 0.838 39 Q CB 0.062 28.697 28.738 -0.172 0.000 0.900 39 Q HN 0.348 nan 8.270 nan 0.000 0.436 40 L N 0.320 121.274 121.223 -0.448 0.000 2.291 40 L HA -0.074 4.264 4.340 -0.003 0.000 0.214 40 L C 1.482 177.881 176.870 -0.785 0.000 1.120 40 L CA 0.531 54.942 54.840 -0.715 0.000 0.799 40 L CB -0.419 41.002 42.059 -1.064 0.000 0.925 40 L HN 0.248 nan 8.230 nan 0.000 0.446 41 N N 0.495 118.851 118.700 -0.574 0.000 2.652 41 N HA -0.052 4.686 4.740 -0.003 0.000 0.259 41 N C 0.769 176.151 175.510 -0.214 0.000 1.240 41 N CA 0.018 52.925 53.050 -0.238 0.000 0.951 41 N CB 0.280 38.747 38.487 -0.034 0.000 1.281 41 N HN 0.326 nan 8.380 nan 0.000 0.507 42 Q N -0.346 119.358 119.800 -0.160 0.000 1.842 42 Q HA 0.047 4.385 4.340 -0.003 0.000 0.180 42 Q C -1.496 174.491 176.000 -0.021 0.000 0.751 42 Q CA -0.305 55.431 55.803 -0.111 0.000 0.861 42 Q CB 0.301 28.977 28.738 -0.103 0.000 1.223 42 Q HN 0.374 nan 8.270 nan 0.000 0.401 43 Y N 0.694 120.887 120.300 -0.178 0.000 2.805 43 Y HA 0.461 5.009 4.550 -0.003 0.000 0.339 43 Y C -2.279 173.554 175.900 -0.112 0.000 1.012 43 Y CA -2.420 55.590 58.100 -0.149 0.000 1.262 43 Y CB 1.531 39.867 38.460 -0.207 0.000 1.100 43 Y HN 0.027 nan 8.280 nan 0.000 0.559 44 P HA -0.169 nan 4.420 nan 0.000 0.221 44 P C 0.458 177.653 177.300 -0.176 0.000 1.141 44 P CA 1.675 64.685 63.100 -0.151 0.000 0.794 44 P CB 0.312 31.948 31.700 -0.108 0.000 0.764 45 D N -2.084 118.126 120.400 -0.317 0.000 2.351 45 D HA -0.143 4.495 4.640 -0.003 0.000 0.216 45 D C 1.470 177.509 176.300 -0.435 0.000 0.968 45 D CA 0.506 54.112 54.000 -0.656 0.000 0.899 45 D CB -0.918 39.521 40.800 -0.601 0.000 0.907 45 D HN 0.267 nan 8.370 nan 0.000 0.514 46 F N 1.455 121.218 119.950 -0.311 0.000 2.022 46 F HA -0.234 4.291 4.527 -0.003 0.000 0.293 46 F C 1.788 177.508 175.800 -0.133 0.000 1.142 46 F CA 1.163 59.045 58.000 -0.196 0.000 1.177 46 F CB -0.099 38.834 39.000 -0.113 0.000 0.982 46 F HN -0.141 nan 8.300 nan 0.000 0.473 47 N N 0.817 119.362 118.700 -0.258 0.000 2.091 47 N HA -0.270 4.468 4.740 -0.003 0.000 0.193 47 N C 1.329 176.768 175.510 -0.117 0.000 1.021 47 N CA 1.687 54.558 53.050 -0.297 0.000 0.862 47 N CB -0.463 37.824 38.487 -0.334 0.000 1.018 47 N HN 0.338 nan 8.380 nan 0.000 0.429 48 N N 0.014 118.666 118.700 -0.080 0.000 2.104 48 N HA -0.171 4.567 4.740 -0.003 0.000 0.190 48 N C 1.321 176.907 175.510 0.127 0.000 1.024 48 N CA 1.149 54.243 53.050 0.073 0.000 0.853 48 N CB -0.425 37.959 38.487 -0.171 0.000 1.008 48 N HN 0.352 nan 8.380 nan 0.000 0.424 49 Y N 1.153 121.345 120.300 -0.181 0.000 2.315 49 Y HA -0.113 4.435 4.550 -0.003 0.000 0.288 49 Y C 2.104 177.988 175.900 -0.027 0.000 1.154 49 Y CA 0.559 58.595 58.100 -0.106 0.000 1.229 49 Y CB -0.264 38.099 38.460 -0.161 0.000 0.980 49 Y HN 0.003 nan 8.280 nan 0.000 0.540 50 L N -0.399 120.831 121.223 0.011 0.000 1.973 50 L HA -0.215 4.123 4.340 -0.003 0.000 0.208 50 L C 2.417 179.319 176.870 0.054 0.000 1.073 50 L CA 1.506 56.325 54.840 -0.035 0.000 0.746 50 L CB -1.423 40.536 42.059 -0.167 0.000 0.891 50 L HN 0.226 nan 8.230 nan 0.000 0.433 51 I N -1.538 119.072 120.570 0.067 0.000 2.423 51 I HA -0.369 3.799 4.170 -0.003 0.000 0.254 51 I C 2.402 178.562 176.117 0.071 0.000 1.151 51 I CA 0.979 62.299 61.300 0.033 0.000 1.421 51 I CB -0.067 37.903 38.000 -0.051 0.000 1.079 51 I HN 0.154 nan 8.210 nan 0.000 0.431 52 F N 0.536 120.516 119.950 0.049 0.000 2.031 52 F HA -0.243 4.282 4.527 -0.003 0.000 0.295 52 F C 2.347 178.153 175.800 0.010 0.000 1.133 52 F CA 2.270 60.301 58.000 0.052 0.000 1.188 52 F CB -0.687 38.295 39.000 -0.030 0.000 0.974 52 F HN -0.157 nan 8.300 nan 0.000 0.473 53 V N 0.439 120.542 119.914 0.316 0.000 2.324 53 V HA -0.310 3.808 4.120 -0.003 0.000 0.250 53 V C 2.330 178.483 176.094 0.097 0.000 1.060 53 V CA 1.857 64.268 62.300 0.185 0.000 1.042 53 V CB -0.949 30.948 31.823 0.124 0.000 0.650 53 V HN 0.438 nan 8.190 nan 0.000 0.450 54 L N -0.518 120.744 121.223 0.064 0.000 1.994 54 L HA -0.141 4.197 4.340 -0.003 0.000 0.208 54 L C 2.186 179.052 176.870 -0.007 0.000 1.071 54 L CA 2.638 57.491 54.840 0.021 0.000 0.745 54 L CB -0.611 41.450 42.059 0.005 0.000 0.892 54 L HN 0.391 nan 8.230 nan 0.000 0.431 55 T N -1.090 113.439 114.554 -0.041 0.000 3.523 55 T HA 0.028 4.376 4.350 -0.003 0.000 0.216 55 T C 1.718 176.354 174.700 -0.107 0.000 0.922 55 T CA 0.317 62.362 62.100 -0.091 0.000 1.558 55 T CB -0.128 68.646 68.868 -0.158 0.000 1.424 55 T HN 0.061 nan 8.240 nan 0.000 0.452 56 K N 1.245 121.503 120.400 -0.236 0.000 2.032 56 K HA 0.010 4.328 4.320 -0.003 0.000 0.209 56 K C 1.251 177.807 176.600 -0.072 0.000 1.048 56 K CA 0.542 56.661 56.287 -0.281 0.000 0.927 56 K CB -0.922 31.103 32.500 -0.792 0.000 0.712 56 K HN 0.264 nan 8.250 nan 0.000 0.441 57 L N 2.976 124.234 121.223 0.057 0.000 2.536 57 L HA -0.022 4.316 4.340 -0.003 0.000 0.282 57 L C 0.923 177.837 176.870 0.074 0.000 1.174 57 L CA 0.281 55.208 54.840 0.146 0.000 0.989 57 L CB 0.137 42.336 42.059 0.233 0.000 1.311 57 L HN 0.017 nan 8.230 nan 0.000 0.455 58 K N 1.393 121.824 120.400 0.051 0.000 2.404 58 K HA 0.065 4.383 4.320 -0.003 0.000 0.194 58 K C 1.687 178.310 176.600 0.038 0.000 1.023 58 K CA 0.006 56.313 56.287 0.034 0.000 1.094 58 K CB 0.573 33.085 32.500 0.020 0.000 0.841 58 K HN 0.599 nan 8.250 nan 0.000 0.523 59 S N 1.341 117.070 115.700 0.049 0.000 2.345 59 S HA -0.120 4.349 4.470 -0.003 0.000 0.220 59 S C 0.800 175.423 174.600 0.039 0.000 1.031 59 S CA 1.071 59.297 58.200 0.043 0.000 0.996 59 S CB 0.023 63.252 63.200 0.048 0.000 0.882 59 S HN 0.318 nan 8.310 nan 0.000 0.445 60 E N 2.153 122.380 120.200 0.045 0.000 2.404 60 E HA 0.050 4.398 4.350 -0.003 0.000 0.261 60 E C 0.082 176.702 176.600 0.034 0.000 1.074 60 E CA -0.268 56.156 56.400 0.040 0.000 0.917 60 E CB 0.389 30.117 29.700 0.047 0.000 0.965 60 E HN 0.397 nan 8.360 nan 0.000 0.433 61 D N 2.495 122.912 120.400 0.029 0.000 2.352 61 D HA -0.077 4.561 4.640 -0.003 0.000 0.238 61 D C 0.260 176.575 176.300 0.025 0.000 1.286 61 D CA 0.015 54.030 54.000 0.025 0.000 0.923 61 D CB 0.664 41.477 40.800 0.022 0.000 1.146 61 D HN 0.579 nan 8.370 nan 0.000 0.471 62 E N 0.012 120.225 120.200 0.021 0.000 2.076 62 E HA -0.048 4.301 4.350 -0.003 0.000 0.190 62 E C -0.820 175.791 176.600 0.019 0.000 0.979 62 E CA 0.678 57.090 56.400 0.019 0.000 0.807 62 E CB -0.864 28.846 29.700 0.016 0.000 0.761 62 E HN 0.446 nan 8.360 nan 0.000 0.454 63 P HA -0.093 nan 4.420 nan 0.000 0.220 63 P C 1.215 178.528 177.300 0.022 0.000 1.148 63 P CA 1.368 64.479 63.100 0.019 0.000 0.803 63 P CB -0.060 31.651 31.700 0.018 0.000 0.782 64 T N -0.045 114.524 114.554 0.025 0.000 2.614 64 T HA -0.148 4.200 4.350 -0.003 0.000 0.263 64 T C 1.755 176.473 174.700 0.031 0.000 1.055 64 T CA 1.245 63.363 62.100 0.030 0.000 1.162 64 T CB -0.751 68.137 68.868 0.033 0.000 0.863 64 T HN 0.148 nan 8.240 nan 0.000 0.414 65 R N 0.896 121.415 120.500 0.031 0.000 2.211 65 R HA -0.073 4.265 4.340 -0.003 0.000 0.240 65 R C 2.815 179.128 176.300 0.023 0.000 1.144 65 R CA 1.243 57.361 56.100 0.031 0.000 0.992 65 R CB -0.369 29.948 30.300 0.028 0.000 0.869 65 R HN 0.275 nan 8.270 nan 0.000 0.462 66 S N 0.667 116.380 115.700 0.021 0.000 2.362 66 S HA -0.036 4.432 4.470 -0.003 0.000 0.221 66 S C 1.776 176.388 174.600 0.020 0.000 1.032 66 S CA 0.529 58.739 58.200 0.017 0.000 0.973 66 S CB -0.038 63.171 63.200 0.015 0.000 0.849 66 S HN 0.258 nan 8.310 nan 0.000 0.465 67 L N 1.608 122.845 121.223 0.024 0.000 2.191 67 L HA 0.010 4.348 4.340 -0.003 0.000 0.212 67 L C 2.358 179.244 176.870 0.027 0.000 1.103 67 L CA 1.924 56.781 54.840 0.028 0.000 0.769 67 L CB -0.892 41.187 42.059 0.033 0.000 0.908 67 L HN 0.402 nan 8.230 nan 0.000 0.438 68 S N -0.373 115.341 115.700 0.025 0.000 2.392 68 S HA -0.230 4.238 4.470 -0.003 0.000 0.225 68 S C 2.083 176.683 174.600 0.001 0.000 1.041 68 S CA 1.884 60.092 58.200 0.015 0.000 1.100 68 S CB -1.122 62.094 63.200 0.028 0.000 1.029 68 S HN 0.628 nan 8.310 nan 0.000 0.424 69 G N 1.818 110.624 108.800 0.010 0.000 2.418 69 G HA2 -0.072 3.886 3.960 -0.003 0.000 0.217 69 G HA3 -0.072 3.886 3.960 -0.003 0.000 0.217 69 G C 1.500 176.411 174.900 0.020 0.000 1.158 69 G CA 0.798 45.905 45.100 0.011 0.000 0.771 69 G HN 0.461 nan 8.290 nan 0.000 0.545 70 L N 0.331 121.566 121.223 0.022 0.000 1.991 70 L HA -0.179 4.159 4.340 -0.003 0.000 0.221 70 L C 2.984 179.880 176.870 0.043 0.000 1.079 70 L CA 1.834 56.692 54.840 0.029 0.000 0.778 70 L CB -0.798 41.278 42.059 0.029 0.000 0.893 70 L HN 0.265 nan 8.230 nan 0.000 0.437 71 I N -0.805 119.791 120.570 0.045 0.000 2.118 71 I HA -0.370 3.798 4.170 -0.003 0.000 0.241 71 I C 2.508 178.670 176.117 0.075 0.000 1.070 71 I CA 0.962 62.303 61.300 0.068 0.000 1.327 71 I CB -0.385 37.651 38.000 0.060 0.000 1.034 71 I HN 0.258 nan 8.210 nan 0.000 0.405 72 L N 1.570 122.812 121.223 0.032 0.000 1.978 72 L HA -0.285 4.054 4.340 -0.003 0.000 0.218 72 L C 2.545 179.499 176.870 0.141 0.000 1.075 72 L CA 2.084 56.974 54.840 0.084 0.000 0.767 72 L CB -1.099 40.992 42.059 0.055 0.000 0.890 72 L HN 0.250 nan 8.230 nan 0.000 0.434 73 K N -0.552 119.896 120.400 0.079 0.000 2.211 73 K HA -0.222 4.097 4.320 -0.003 0.000 0.204 73 K C 1.722 178.353 176.600 0.053 0.000 1.047 73 K CA 1.687 58.002 56.287 0.047 0.000 0.935 73 K CB -0.473 32.039 32.500 0.019 0.000 0.728 73 K HN 0.493 nan 8.250 nan 0.000 0.452 74 N N 1.446 120.195 118.700 0.082 0.000 2.270 74 N HA -0.084 4.654 4.740 -0.003 0.000 0.181 74 N C 1.321 176.917 175.510 0.142 0.000 1.016 74 N CA 0.965 54.071 53.050 0.092 0.000 0.870 74 N CB -0.271 38.277 38.487 0.101 0.000 0.979 74 N HN 0.364 nan 8.380 nan 0.000 0.431 75 N N 0.458 119.304 118.700 0.242 0.000 2.300 75 N HA -0.037 4.701 4.740 -0.003 0.000 0.179 75 N C 1.788 177.492 175.510 0.323 0.000 1.016 75 N CA 0.466 53.765 53.050 0.414 0.000 0.876 75 N CB -0.253 38.589 38.487 0.591 0.000 0.979 75 N HN 0.034 nan 8.380 nan 0.000 0.432 76 V N 1.728 121.731 119.914 0.149 0.000 2.515 76 V HA -0.136 3.982 4.120 -0.003 0.000 0.250 76 V C 2.145 178.162 176.094 -0.129 0.000 1.058 76 V CA 1.348 63.559 62.300 -0.149 0.000 1.064 76 V CB -0.396 31.301 31.823 -0.210 0.000 0.675 76 V HN 0.255 nan 8.190 nan 0.000 0.461 77 K N -0.309 120.058 120.400 -0.056 0.000 2.288 77 K HA 0.017 4.335 4.320 -0.003 0.000 0.201 77 K C 1.956 178.514 176.600 -0.069 0.000 1.048 77 K CA 1.232 57.481 56.287 -0.065 0.000 0.956 77 K CB -0.041 32.436 32.500 -0.039 0.000 0.746 77 K HN 0.521 nan 8.250 nan 0.000 0.461 78 A N -0.110 122.661 122.820 -0.082 0.000 2.011 78 A HA 0.065 4.383 4.320 -0.003 0.000 0.204 78 A C 1.104 178.527 177.584 -0.267 0.000 1.520 78 A CA 0.122 52.000 52.037 -0.264 0.000 0.819 78 A CB 0.054 18.760 19.000 -0.490 0.000 1.087 78 A HN 0.189 nan 8.150 nan 0.000 0.526 79 H N -1.643 117.553 119.070 0.209 0.000 2.486 79 H HA 0.225 4.779 4.556 -0.003 0.000 0.284 79 H C 0.921 176.438 175.328 0.315 0.000 1.103 79 H CA -0.454 55.752 56.048 0.264 0.000 1.089 79 H CB 0.089 30.042 29.762 0.318 0.000 1.603 79 H HN 0.476 nan 8.280 nan 0.000 0.557 80 F N 2.748 122.704 119.950 0.010 0.000 2.126 80 F HA -0.247 4.278 4.527 -0.003 0.000 0.299 80 F C 1.965 177.783 175.800 0.031 0.000 1.096 80 F CA 1.490 59.315 58.000 -0.293 0.000 1.255 80 F CB 0.215 38.955 39.000 -0.432 0.000 0.997 80 F HN 0.058 nan 8.300 nan 0.000 0.479 81 Q N 0.622 120.455 119.800 0.056 0.000 2.197 81 Q HA -0.269 4.069 4.340 -0.003 0.000 0.211 81 Q C 1.825 177.811 176.000 -0.023 0.000 0.993 81 Q CA 2.088 57.893 55.803 0.003 0.000 0.883 81 Q CB -0.856 27.925 28.738 0.071 0.000 0.916 81 Q HN 0.430 nan 8.270 nan 0.000 0.418 82 N N 0.053 118.810 118.700 0.096 0.000 2.047 82 N HA -0.080 4.658 4.740 -0.003 0.000 0.193 82 N C -0.160 175.400 175.510 0.083 0.000 1.055 82 N CA 0.409 53.525 53.050 0.109 0.000 0.847 82 N CB -0.613 37.972 38.487 0.164 0.000 1.038 82 N HN 0.250 nan 8.380 nan 0.000 0.427 83 F N 2.420 122.260 119.950 -0.184 0.000 1.924 83 F HA -0.137 4.388 4.527 -0.003 0.000 0.370 83 F C -1.616 174.059 175.800 -0.209 0.000 1.007 83 F CA -1.064 56.805 58.000 -0.220 0.000 0.804 83 F CB -0.845 37.870 39.000 -0.475 0.000 0.637 83 F HN 0.063 nan 8.300 nan 0.000 0.467 84 P HA -0.103 nan 4.420 nan 0.000 0.266 84 P C 0.649 177.962 177.300 0.022 0.000 1.193 84 P CA 0.164 63.270 63.100 0.010 0.000 0.770 84 P CB 0.573 32.289 31.700 0.027 0.000 0.836 85 N N 2.082 120.782 118.700 -0.000 0.000 2.069 85 N HA -0.210 4.528 4.740 -0.003 0.000 0.196 85 N C 1.954 177.490 175.510 0.043 0.000 1.024 85 N CA 1.984 55.038 53.050 0.008 0.000 0.869 85 N CB -0.631 37.854 38.487 -0.003 0.000 1.035 85 N HN 0.577 nan 8.380 nan 0.000 0.434 86 G N 0.923 109.748 108.800 0.042 0.000 2.485 86 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.221 86 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.221 86 G C 1.673 176.667 174.900 0.157 0.000 1.115 86 G CA 0.802 45.938 45.100 0.060 0.000 0.751 86 G HN 0.168 nan 8.290 nan 0.000 0.567 87 V N 0.519 120.550 119.914 0.195 0.000 2.256 87 V HA -0.124 3.994 4.120 -0.003 0.000 0.240 87 V C 3.014 179.277 176.094 0.282 0.000 1.036 87 V CA 2.223 64.697 62.300 0.290 0.000 1.008 87 V CB -1.216 30.730 31.823 0.206 0.000 0.648 87 V HN 0.337 nan 8.190 nan 0.000 0.453 88 T N 0.048 114.741 114.554 0.230 0.000 2.653 88 T HA -0.282 4.066 4.350 -0.003 0.000 0.268 88 T C 1.647 176.380 174.700 0.055 0.000 1.035 88 T CA 2.039 64.254 62.100 0.192 0.000 1.154 88 T CB -0.542 68.416 68.868 0.150 0.000 0.862 88 T HN 0.463 nan 8.240 nan 0.000 0.441 89 D N 0.189 120.621 120.400 0.053 0.000 2.160 89 D HA -0.129 4.509 4.640 -0.003 0.000 0.189 89 D C 1.667 178.018 176.300 0.085 0.000 1.003 89 D CA 1.228 55.244 54.000 0.027 0.000 0.846 89 D CB -0.577 40.261 40.800 0.063 0.000 0.949 89 D HN 0.458 nan 8.370 nan 0.000 0.446 90 F N 0.815 120.780 119.950 0.025 0.000 2.113 90 F HA -0.175 4.350 4.527 -0.003 0.000 0.297 90 F C 2.214 178.039 175.800 0.042 0.000 1.103 90 F CA 0.698 58.727 58.000 0.048 0.000 1.248 90 F CB 0.072 39.137 39.000 0.109 0.000 0.999 90 F HN -0.150 nan 8.300 nan 0.000 0.475 91 I N 1.282 121.826 120.570 -0.045 0.000 2.087 91 I HA -0.380 3.788 4.170 -0.003 0.000 0.240 91 I C 2.261 178.277 176.117 -0.168 0.000 1.054 91 I CA 1.772 62.996 61.300 -0.126 0.000 1.311 91 I CB -1.532 36.520 38.000 0.087 0.000 1.024 91 I HN 0.233 nan 8.210 nan 0.000 0.402 92 K N 0.524 120.797 120.400 -0.212 0.000 2.059 92 K HA -0.193 4.125 4.320 -0.003 0.000 0.212 92 K C 2.242 178.838 176.600 -0.007 0.000 1.050 92 K CA 2.130 58.245 56.287 -0.287 0.000 0.927 92 K CB -0.232 31.822 32.500 -0.743 0.000 0.714 92 K HN 0.290 nan 8.250 nan 0.000 0.447 93 S N 1.271 116.925 115.700 -0.075 0.000 2.344 93 S HA -0.136 4.332 4.470 -0.003 0.000 0.217 93 S C 1.716 176.262 174.600 -0.090 0.000 1.033 93 S CA 1.182 59.362 58.200 -0.034 0.000 1.017 93 S CB -0.256 62.943 63.200 -0.002 0.000 0.941 93 S HN 0.263 nan 8.310 nan 0.000 0.430 94 E N 0.558 120.590 120.200 -0.280 0.000 2.265 94 E HA -0.067 4.281 4.350 -0.003 0.000 0.196 94 E C 2.093 178.612 176.600 -0.136 0.000 0.996 94 E CA 0.437 56.672 56.400 -0.274 0.000 0.832 94 E CB -0.599 28.791 29.700 -0.517 0.000 0.756 94 E HN 0.517 nan 8.360 nan 0.000 0.491 95 C N 0.103 119.362 119.300 -0.068 0.000 2.492 95 C HA 0.075 4.533 4.460 -0.003 0.000 0.279 95 C C 2.517 177.522 174.990 0.026 0.000 1.335 95 C CA -0.117 58.903 59.018 0.003 0.000 1.734 95 C CB -0.616 27.172 27.740 0.080 0.000 2.027 95 C HN 0.358 nan 8.230 nan 0.000 0.496 96 L N 1.392 122.653 121.223 0.065 0.000 2.131 96 L HA -0.024 4.314 4.340 -0.003 0.000 0.206 96 L C 1.878 178.757 176.870 0.014 0.000 1.087 96 L CA 1.532 56.402 54.840 0.050 0.000 0.767 96 L CB -1.208 40.916 42.059 0.107 0.000 0.917 96 L HN 0.455 nan 8.230 nan 0.000 0.441 97 N N 0.454 119.156 118.700 0.004 0.000 2.512 97 N HA -0.101 4.637 4.740 -0.003 0.000 0.183 97 N C 0.741 176.238 175.510 -0.022 0.000 1.073 97 N CA 0.639 53.684 53.050 -0.009 0.000 0.911 97 N CB 0.024 38.502 38.487 -0.015 0.000 0.964 97 N HN 0.461 nan 8.380 nan 0.000 0.447 98 N N 0.272 118.955 118.700 -0.028 0.000 2.433 98 N HA 0.139 4.877 4.740 -0.003 0.000 0.270 98 N C 0.886 176.380 175.510 -0.028 0.000 1.354 98 N CA -0.036 52.995 53.050 -0.031 0.000 0.889 98 N CB 0.894 39.354 38.487 -0.045 0.000 1.285 98 N HN 0.088 nan 8.380 nan 0.000 0.503 99 I N 0.140 120.695 120.570 -0.026 0.000 2.361 99 I HA -0.060 4.108 4.170 -0.003 0.000 0.251 99 I C 1.085 177.178 176.117 -0.041 0.000 1.133 99 I CA 1.284 62.563 61.300 -0.034 0.000 1.413 99 I CB 0.282 38.257 38.000 -0.042 0.000 1.073 99 I HN 0.051 nan 8.210 nan 0.000 0.424 100 G N 0.606 109.383 108.800 -0.037 0.000 4.782 100 G HA2 0.174 4.132 3.960 -0.003 0.000 0.327 100 G HA3 0.174 4.132 3.960 -0.003 0.000 0.327 100 G C -1.097 173.787 174.900 -0.027 0.000 1.466 100 G CA -0.368 44.705 45.100 -0.044 0.000 1.017 100 G HN 0.205 nan 8.290 nan 0.000 0.543 101 D N 0.413 120.799 120.400 -0.023 0.000 2.390 101 D HA 0.245 4.883 4.640 -0.003 0.000 0.249 101 D C 1.166 177.462 176.300 -0.007 0.000 1.144 101 D CA 0.130 54.122 54.000 -0.013 0.000 0.880 101 D CB 0.973 41.765 40.800 -0.013 0.000 1.182 101 D HN 0.075 nan 8.370 nan 0.000 0.451 102 S N 1.742 117.444 115.700 0.003 0.000 3.120 102 S HA 0.104 4.572 4.470 -0.003 0.000 0.259 102 S C -0.318 174.290 174.600 0.014 0.000 1.191 102 S CA -0.173 58.035 58.200 0.014 0.000 1.257 102 S CB -0.767 62.447 63.200 0.022 0.000 0.964 102 S HN 0.472 nan 8.310 nan 0.000 0.473 103 S N -0.483 115.222 115.700 0.008 0.000 2.423 103 S HA 0.386 4.854 4.470 -0.003 0.000 0.213 103 S C -2.395 172.209 174.600 0.006 0.000 1.131 103 S CA -1.184 57.022 58.200 0.009 0.000 1.155 103 S CB 1.505 64.711 63.200 0.009 0.000 1.202 103 S HN -0.076 nan 8.310 nan 0.000 0.441 104 P HA -0.276 nan 4.420 nan 0.000 0.224 104 P C 1.659 178.959 177.300 0.001 0.000 1.130 104 P CA 1.195 64.297 63.100 0.004 0.000 0.976 104 P CB 0.013 31.719 31.700 0.010 0.000 0.781 105 L N -1.491 119.735 121.223 0.004 0.000 2.013 105 L HA -0.189 4.149 4.340 -0.003 0.000 0.212 105 L C 2.367 179.238 176.870 0.001 0.000 1.073 105 L CA 1.807 56.649 54.840 0.004 0.000 0.753 105 L CB -1.510 40.553 42.059 0.007 0.000 0.890 105 L HN -0.133 nan 8.230 nan 0.000 0.432 106 I N -0.280 120.291 120.570 0.001 0.000 2.091 106 I HA -0.333 3.835 4.170 -0.003 0.000 0.239 106 I C 2.753 178.865 176.117 -0.008 0.000 1.061 106 I CA 1.942 63.240 61.300 -0.002 0.000 1.317 106 I CB -0.637 37.362 38.000 -0.002 0.000 1.031 106 I HN 0.310 nan 8.210 nan 0.000 0.401 107 R N 0.604 121.097 120.500 -0.012 0.000 2.140 107 R HA -0.285 4.053 4.340 -0.003 0.000 0.250 107 R C 2.184 178.473 176.300 -0.019 0.000 1.150 107 R CA 2.063 58.151 56.100 -0.020 0.000 0.966 107 R CB -0.412 29.872 30.300 -0.026 0.000 0.869 107 R HN 0.435 nan 8.270 nan 0.000 0.445 108 A N -0.244 122.568 122.820 -0.013 0.000 1.897 108 A HA -0.123 4.195 4.320 -0.003 0.000 0.215 108 A C 2.211 179.788 177.584 -0.010 0.000 1.181 108 A CA 1.852 53.883 52.037 -0.011 0.000 0.620 108 A CB -0.923 18.074 19.000 -0.006 0.000 0.821 108 A HN 0.636 nan 8.150 nan 0.000 0.443 109 T N -1.093 113.457 114.554 -0.006 0.000 2.708 109 T HA -0.139 4.209 4.350 -0.003 0.000 0.266 109 T C 1.755 176.452 174.700 -0.005 0.000 1.037 109 T CA 1.524 63.622 62.100 -0.003 0.000 1.146 109 T CB -1.000 67.869 68.868 0.002 0.000 0.865 109 T HN 0.080 nan 8.240 nan 0.000 0.435 110 V N 2.227 122.135 119.914 -0.009 0.000 2.282 110 V HA -0.125 3.993 4.120 -0.003 0.000 0.249 110 V C 3.051 179.140 176.094 -0.009 0.000 1.057 110 V CA 2.016 64.311 62.300 -0.009 0.000 1.032 110 V CB -1.602 30.210 31.823 -0.017 0.000 0.645 110 V HN 0.684 nan 8.190 nan 0.000 0.447 111 G N -0.449 108.339 108.800 -0.020 0.000 2.418 111 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.217 111 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.217 111 G C 1.608 176.489 174.900 -0.031 0.000 1.158 111 G CA 0.998 46.078 45.100 -0.033 0.000 0.771 111 G HN 0.473 nan 8.290 nan 0.000 0.545 112 I N 0.083 120.640 120.570 -0.022 0.000 2.151 112 I HA -0.221 3.947 4.170 -0.003 0.000 0.243 112 I C 2.709 178.816 176.117 -0.017 0.000 1.080 112 I CA 0.783 62.070 61.300 -0.022 0.000 1.339 112 I CB -0.205 37.786 38.000 -0.014 0.000 1.039 112 I HN 0.123 nan 8.210 nan 0.000 0.409 113 L N 0.313 121.536 121.223 0.000 0.000 1.971 113 L HA -0.275 4.063 4.340 -0.003 0.000 0.215 113 L C 2.335 179.230 176.870 0.042 0.000 1.072 113 L CA 2.050 56.902 54.840 0.019 0.000 0.758 113 L CB -0.662 41.419 42.059 0.037 0.000 0.889 113 L HN 0.162 nan 8.230 nan 0.000 0.433 114 I N -1.303 119.296 120.570 0.049 0.000 2.091 114 I HA -0.391 3.777 4.170 -0.003 0.000 0.239 114 I C 2.432 178.519 176.117 -0.051 0.000 1.061 114 I CA 1.897 63.214 61.300 0.029 0.000 1.317 114 I CB -0.874 37.071 38.000 -0.092 0.000 1.031 114 I HN 0.283 nan 8.210 nan 0.000 0.401 115 T N 0.098 114.606 114.554 -0.076 0.000 2.684 115 T HA -0.260 4.088 4.350 -0.003 0.000 0.267 115 T C 1.824 176.482 174.700 -0.070 0.000 1.032 115 T CA 2.396 64.447 62.100 -0.083 0.000 1.155 115 T CB -0.395 68.431 68.868 -0.070 0.000 0.857 115 T HN 0.445 nan 8.240 nan 0.000 0.457 116 T N 1.671 116.191 114.554 -0.056 0.000 2.937 116 T HA 0.118 4.466 4.350 -0.003 0.000 0.260 116 T C 1.970 176.588 174.700 -0.136 0.000 1.051 116 T CA 0.456 62.505 62.100 -0.086 0.000 1.141 116 T CB -0.085 68.736 68.868 -0.079 0.000 0.879 116 T HN 0.274 nan 8.240 nan 0.000 0.459 117 I N 2.106 122.628 120.570 -0.081 0.000 2.315 117 I HA -0.052 4.116 4.170 -0.003 0.000 0.248 117 I C 2.897 179.010 176.117 -0.008 0.000 1.117 117 I CA 1.030 62.245 61.300 -0.141 0.000 1.404 117 I CB -1.812 36.246 38.000 0.095 0.000 1.071 117 I HN 0.151 nan 8.210 nan 0.000 0.419 118 A N 1.995 124.868 122.820 0.088 0.000 1.865 118 A HA -0.211 4.107 4.320 -0.003 0.000 0.217 118 A C 2.631 180.198 177.584 -0.028 0.000 1.191 118 A CA 2.857 54.917 52.037 0.039 0.000 0.623 118 A CB -0.948 17.995 19.000 -0.094 0.000 0.826 118 A HN 0.572 nan 8.150 nan 0.000 0.444 119 S N -0.091 115.568 115.700 -0.068 0.000 2.357 119 S HA -0.149 4.319 4.470 -0.003 0.000 0.221 119 S C 1.891 176.439 174.600 -0.087 0.000 1.031 119 S CA 1.590 59.747 58.200 -0.071 0.000 0.982 119 S CB -0.313 62.843 63.200 -0.072 0.000 0.853 119 S HN 0.477 nan 8.310 nan 0.000 0.458 120 K N 2.519 122.830 120.400 -0.147 0.000 2.076 120 K HA 0.155 4.473 4.320 -0.003 0.000 0.204 120 K C 1.480 177.967 176.600 -0.189 0.000 1.051 120 K CA 1.193 57.373 56.287 -0.177 0.000 0.949 120 K CB -0.951 31.398 32.500 -0.252 0.000 0.726 120 K HN 0.409 nan 8.250 nan 0.000 0.443 121 G N 1.407 110.023 108.800 -0.306 0.000 3.709 121 G HA2 0.148 4.106 3.960 -0.003 0.000 0.272 121 G HA3 0.148 4.106 3.960 -0.003 0.000 0.272 121 G C -0.893 174.015 174.900 0.013 0.000 1.259 121 G CA -0.347 44.642 45.100 -0.186 0.000 1.512 121 G HN 0.308 nan 8.290 nan 0.000 0.625 122 E N -1.327 118.882 120.200 0.015 0.000 7.835 122 E HA -0.244 4.104 4.350 -0.003 0.000 0.160 122 E C 0.438 177.073 176.600 0.059 0.000 1.465 122 E CA 0.620 57.045 56.400 0.042 0.000 2.539 122 E CB -0.842 28.897 29.700 0.065 0.000 1.573 122 E HN 0.282 nan 8.360 nan 0.000 0.447 123 L N -0.045 121.215 121.223 0.062 0.000 3.284 123 L HA 0.022 4.360 4.340 -0.003 0.000 0.294 123 L C 1.643 178.563 176.870 0.083 0.000 1.183 123 L CA 0.137 55.022 54.840 0.074 0.000 1.056 123 L CB 0.224 42.299 42.059 0.027 0.000 1.513 123 L HN 0.319 nan 8.230 nan 0.000 0.601 124 Q N -0.235 119.607 119.800 0.070 0.000 2.488 124 Q HA -0.033 4.305 4.340 -0.003 0.000 0.211 124 Q C 1.148 177.202 176.000 0.089 0.000 0.967 124 Q CA 1.102 56.945 55.803 0.066 0.000 0.926 124 Q CB -0.219 28.548 28.738 0.049 0.000 0.992 124 Q HN 0.521 nan 8.270 nan 0.000 0.506 125 N N -1.251 117.520 118.700 0.119 0.000 2.322 125 N HA -0.006 4.732 4.740 -0.003 0.000 0.181 125 N C -0.517 175.102 175.510 0.181 0.000 1.088 125 N CA -0.213 52.913 53.050 0.126 0.000 0.885 125 N CB 0.399 38.958 38.487 0.120 0.000 1.013 125 N HN 0.178 nan 8.380 nan 0.000 0.472 126 W N 3.822 125.133 121.300 0.019 0.000 2.313 126 W HA 0.360 5.018 4.660 -0.003 0.000 0.315 126 W C -2.328 174.193 176.519 0.003 0.000 0.917 126 W CA -2.612 54.741 57.345 0.013 0.000 1.626 126 W CB 0.498 29.956 29.460 -0.004 0.000 1.574 126 W HN 0.041 nan 8.180 nan 0.000 0.395 127 P HA -0.158 nan 4.420 nan 0.000 0.216 127 P C 1.021 178.407 177.300 0.143 0.000 1.153 127 P CA 1.616 64.815 63.100 0.165 0.000 0.844 127 P CB 0.568 32.338 31.700 0.116 0.000 0.787 128 D N -0.802 119.735 120.400 0.229 0.000 2.218 128 D HA -0.116 4.522 4.640 -0.003 0.000 0.204 128 D C 1.920 178.240 176.300 0.034 0.000 0.976 128 D CA 0.357 54.453 54.000 0.158 0.000 0.853 128 D CB -0.741 40.199 40.800 0.232 0.000 0.939 128 D HN -0.068 nan 8.370 nan 0.000 0.481 129 L N 0.203 121.359 121.223 -0.112 0.000 1.965 129 L HA -0.276 4.062 4.340 -0.003 0.000 0.226 129 L C 1.766 178.434 176.870 -0.337 0.000 1.083 129 L CA 1.879 56.363 54.840 -0.594 0.000 0.790 129 L CB -0.890 40.536 42.059 -1.054 0.000 0.898 129 L HN 0.052 nan 8.230 nan 0.000 0.439 130 L N -0.865 120.214 121.223 -0.240 0.000 1.970 130 L HA -0.121 4.217 4.340 -0.003 0.000 0.212 130 L C -0.155 176.635 176.870 -0.134 0.000 1.071 130 L CA 2.076 56.810 54.840 -0.176 0.000 0.751 130 L CB -2.903 39.075 42.059 -0.134 0.000 0.889 130 L HN 0.183 nan 8.230 nan 0.000 0.432 131 P HA -0.246 nan 4.420 nan 0.000 0.217 131 P C 1.653 178.918 177.300 -0.059 0.000 1.158 131 P CA 1.538 64.600 63.100 -0.064 0.000 0.887 131 P CB 0.047 31.728 31.700 -0.032 0.000 0.792 132 K N -0.055 120.310 120.400 -0.058 0.000 1.965 132 K HA -0.113 4.205 4.320 -0.003 0.000 0.214 132 K C 2.056 178.605 176.600 -0.085 0.000 1.046 132 K CA 1.524 57.781 56.287 -0.049 0.000 0.944 132 K CB -1.358 31.125 32.500 -0.027 0.000 0.726 132 K HN -0.039 nan 8.250 nan 0.000 0.441 133 L N 0.356 121.499 121.223 -0.133 0.000 2.054 133 L HA -0.409 3.929 4.340 -0.003 0.000 0.220 133 L C 2.614 179.385 176.870 -0.165 0.000 1.081 133 L CA 1.789 56.531 54.840 -0.163 0.000 0.780 133 L CB -0.767 41.166 42.059 -0.210 0.000 0.893 133 L HN 0.385 nan 8.230 nan 0.000 0.438 134 C N -0.328 118.884 119.300 -0.147 0.000 2.413 134 C HA -0.209 4.249 4.460 -0.003 0.000 0.278 134 C C 3.227 178.163 174.990 -0.091 0.000 1.224 134 C CA 1.357 60.293 59.018 -0.136 0.000 1.732 134 C CB -1.115 26.558 27.740 -0.110 0.000 2.050 134 C HN 0.744 nan 8.230 nan 0.000 0.463 135 S N 0.753 116.420 115.700 -0.055 0.000 2.462 135 S HA -0.142 4.326 4.470 -0.003 0.000 0.243 135 S C 1.349 175.945 174.600 -0.007 0.000 1.003 135 S CA 1.411 59.602 58.200 -0.015 0.000 0.970 135 S CB -0.465 62.730 63.200 -0.009 0.000 0.762 135 S HN 0.421 nan 8.310 nan 0.000 0.510 136 L N 0.019 121.216 121.223 -0.044 0.000 2.307 136 L HA 0.334 4.672 4.340 -0.003 0.000 0.211 136 L C 2.009 178.855 176.870 -0.040 0.000 1.099 136 L CA 0.579 55.396 54.840 -0.037 0.000 0.816 136 L CB -0.998 41.025 42.059 -0.062 0.000 0.952 136 L HN 0.236 nan 8.230 nan 0.000 0.455 137 L N -0.332 120.823 121.223 -0.113 0.000 2.081 137 L HA -0.218 4.120 4.340 -0.003 0.000 0.212 137 L C 1.278 178.233 176.870 0.142 0.000 1.080 137 L CA 1.526 56.264 54.840 -0.170 0.000 0.754 137 L CB -0.965 40.777 42.059 -0.529 0.000 0.893 137 L HN 0.224 nan 8.230 nan 0.000 0.433 138 D N -1.341 119.164 120.400 0.175 0.000 2.344 138 D HA 0.020 4.658 4.640 -0.003 0.000 0.242 138 D C 0.883 177.282 176.300 0.164 0.000 1.159 138 D CA 0.126 54.274 54.000 0.247 0.000 0.859 138 D CB 0.034 40.941 40.800 0.179 0.000 0.925 138 D HN 0.102 nan 8.370 nan 0.000 0.510 139 S N -0.541 115.242 115.700 0.138 0.000 2.669 139 S HA 0.181 4.649 4.470 -0.003 0.000 0.270 139 S C 1.213 175.895 174.600 0.137 0.000 1.225 139 S CA -0.529 57.734 58.200 0.105 0.000 0.991 139 S CB 1.256 64.494 63.200 0.064 0.000 0.987 139 S HN 0.068 nan 8.310 nan 0.000 0.552 140 E N 0.459 120.725 120.200 0.110 0.000 2.099 140 E HA 0.019 4.367 4.350 -0.003 0.000 0.191 140 E C -0.225 176.455 176.600 0.134 0.000 0.962 140 E CA 0.010 56.481 56.400 0.120 0.000 0.826 140 E CB -0.127 29.624 29.700 0.084 0.000 0.788 140 E HN 0.657 nan 8.360 nan 0.000 0.461 141 D N 0.325 120.786 120.400 0.102 0.000 2.520 141 D HA -0.132 4.506 4.640 -0.003 0.000 0.243 141 D C 0.410 176.793 176.300 0.137 0.000 1.160 141 D CA 0.358 54.421 54.000 0.105 0.000 0.877 141 D CB 0.398 41.236 40.800 0.063 0.000 1.150 141 D HN 0.111 nan 8.370 nan 0.000 0.494 142 Y N 5.020 125.351 120.300 0.051 0.000 2.089 142 Y HA -0.305 4.243 4.550 -0.003 0.000 0.282 142 Y C 1.826 177.743 175.900 0.028 0.000 1.139 142 Y CA 1.663 59.796 58.100 0.056 0.000 1.123 142 Y CB -0.104 38.386 38.460 0.050 0.000 0.980 142 Y HN 0.405 nan 8.280 nan 0.000 0.493 143 N N -0.102 118.529 118.700 -0.115 0.000 2.137 143 N HA -0.157 4.581 4.740 -0.003 0.000 0.190 143 N C 1.331 176.741 175.510 -0.167 0.000 1.017 143 N CA 1.867 54.793 53.050 -0.206 0.000 0.859 143 N CB -0.707 37.755 38.487 -0.043 0.000 1.002 143 N HN 0.546 nan 8.380 nan 0.000 0.428 144 T N -3.417 111.088 114.554 -0.082 0.000 3.500 144 T HA 0.166 4.514 4.350 -0.003 0.000 0.244 144 T C 1.334 175.994 174.700 -0.066 0.000 0.962 144 T CA -0.168 61.898 62.100 -0.058 0.000 0.932 144 T CB -0.571 68.287 68.868 -0.017 0.000 1.096 144 T HN 0.290 nan 8.240 nan 0.000 0.617 145 C N -0.745 118.478 119.300 -0.128 0.000 3.623 145 C HA 0.293 4.751 4.460 -0.003 0.000 0.534 145 C C 2.165 177.068 174.990 -0.145 0.000 1.188 145 C CA 0.278 59.235 59.018 -0.101 0.000 2.519 145 C CB -0.016 27.701 27.740 -0.039 0.000 3.439 145 C HN 0.535 nan 8.230 nan 0.000 0.447 146 E N 1.235 121.225 120.200 -0.350 0.000 2.097 146 E HA -0.138 4.210 4.350 -0.003 0.000 0.196 146 E C 1.907 178.423 176.600 -0.140 0.000 1.000 146 E CA 2.052 58.225 56.400 -0.377 0.000 0.804 146 E CB -0.528 28.799 29.700 -0.621 0.000 0.740 146 E HN 0.773 nan 8.360 nan 0.000 0.454 147 G N 0.733 109.455 108.800 -0.130 0.000 2.433 147 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.216 147 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.216 147 G C 1.750 176.625 174.900 -0.042 0.000 1.186 147 G CA 1.487 46.549 45.100 -0.064 0.000 0.779 147 G HN 0.423 nan 8.290 nan 0.000 0.543 148 A N -0.250 122.531 122.820 -0.065 0.000 1.986 148 A HA 0.048 4.366 4.320 -0.003 0.000 0.220 148 A C 2.177 179.688 177.584 -0.122 0.000 1.171 148 A CA 1.448 53.424 52.037 -0.102 0.000 0.640 148 A CB -0.445 18.483 19.000 -0.119 0.000 0.811 148 A HN 0.386 nan 8.150 nan 0.000 0.451 149 F N -0.340 119.530 119.950 -0.134 0.000 2.188 149 F HA 0.163 4.689 4.527 -0.003 0.000 0.289 149 F C 2.570 178.344 175.800 -0.044 0.000 1.082 149 F CA 0.893 58.831 58.000 -0.105 0.000 1.282 149 F CB -0.444 38.516 39.000 -0.067 0.000 1.060 149 F HN 0.295 nan 8.300 nan 0.000 0.493 150 G N 0.137 109.131 108.800 0.323 0.000 2.547 150 G HA2 -0.378 3.580 3.960 -0.003 0.000 0.221 150 G HA3 -0.378 3.580 3.960 -0.003 0.000 0.221 150 G C 1.738 176.609 174.900 -0.048 0.000 1.140 150 G CA 1.093 46.260 45.100 0.113 0.000 0.760 150 G HN 0.524 nan 8.290 nan 0.000 0.583 151 A N 0.765 123.556 122.820 -0.048 0.000 1.834 151 A HA 0.028 4.346 4.320 -0.003 0.000 0.216 151 A C 2.470 179.984 177.584 -0.117 0.000 1.203 151 A CA 1.569 53.544 52.037 -0.102 0.000 0.621 151 A CB -0.745 18.175 19.000 -0.134 0.000 0.841 151 A HN 0.353 nan 8.150 nan 0.000 0.446 152 L N -0.672 120.470 121.223 -0.136 0.000 2.034 152 L HA -0.337 4.001 4.340 -0.003 0.000 0.217 152 L C 2.946 179.767 176.870 -0.082 0.000 1.077 152 L CA 2.084 56.850 54.840 -0.123 0.000 0.769 152 L CB -0.616 41.312 42.059 -0.218 0.000 0.890 152 L HN 0.577 nan 8.230 nan 0.000 0.435 153 Q N 0.024 119.763 119.800 -0.102 0.000 2.181 153 Q HA -0.280 4.058 4.340 -0.003 0.000 0.205 153 Q C 2.132 178.054 176.000 -0.130 0.000 0.980 153 Q CA 1.819 57.538 55.803 -0.139 0.000 0.862 153 Q CB 0.120 28.668 28.738 -0.316 0.000 0.905 153 Q HN 0.248 nan 8.270 nan 0.000 0.429 154 K N 0.309 120.635 120.400 -0.122 0.000 2.098 154 K HA -0.031 4.287 4.320 -0.003 0.000 0.203 154 K C 1.852 178.401 176.600 -0.086 0.000 1.051 154 K CA 0.685 56.909 56.287 -0.106 0.000 0.957 154 K CB -0.155 32.285 32.500 -0.101 0.000 0.738 154 K HN 0.107 nan 8.250 nan 0.000 0.447 155 I N 1.134 121.658 120.570 -0.078 0.000 2.264 155 I HA -0.322 3.846 4.170 -0.003 0.000 0.248 155 I C 2.164 178.266 176.117 -0.025 0.000 1.111 155 I CA 0.980 62.243 61.300 -0.061 0.000 1.382 155 I CB -1.452 36.505 38.000 -0.073 0.000 1.060 155 I HN 0.221 nan 8.210 nan 0.000 0.418 156 C N 0.705 120.008 119.300 0.005 0.000 2.453 156 C HA -0.127 4.331 4.460 -0.003 0.000 0.277 156 C C 2.693 177.601 174.990 -0.136 0.000 1.262 156 C CA 0.444 59.469 59.018 0.011 0.000 1.718 156 C CB -1.060 26.745 27.740 0.109 0.000 2.031 156 C HN 0.510 nan 8.230 nan 0.000 0.480 157 E N 0.995 121.119 120.200 -0.126 0.000 2.160 157 E HA -0.197 4.151 4.350 -0.003 0.000 0.195 157 E C 1.423 177.955 176.600 -0.113 0.000 0.991 157 E CA 1.455 57.773 56.400 -0.137 0.000 0.810 157 E CB -0.126 29.505 29.700 -0.114 0.000 0.742 157 E HN 0.639 nan 8.360 nan 0.000 0.466 158 D N -0.132 120.215 120.400 -0.089 0.000 2.146 158 D HA 0.002 4.640 4.640 -0.003 0.000 0.209 158 D C 0.899 177.163 176.300 -0.060 0.000 0.973 158 D CA 0.914 54.871 54.000 -0.072 0.000 0.860 158 D CB -0.026 40.734 40.800 -0.066 0.000 1.015 158 D HN -0.120 nan 8.370 nan 0.000 0.465 159 S N 0.633 116.306 115.700 -0.045 0.000 2.519 159 S HA 0.445 4.913 4.470 -0.003 0.000 0.245 159 S C 1.277 175.876 174.600 -0.001 0.000 1.152 159 S CA -0.073 58.114 58.200 -0.021 0.000 1.175 159 S CB 0.607 63.801 63.200 -0.011 0.000 0.829 159 S HN 0.286 nan 8.310 nan 0.000 0.472 160 A N 2.291 125.079 122.820 -0.053 0.000 1.859 160 A HA -0.194 4.124 4.320 -0.003 0.000 0.217 160 A C 1.894 179.494 177.584 0.027 0.000 1.198 160 A CA 1.648 53.629 52.037 -0.093 0.000 0.629 160 A CB -0.519 18.341 19.000 -0.232 0.000 0.830 160 A HN 0.487 nan 8.150 nan 0.000 0.446 161 E N -0.590 119.609 120.200 -0.001 0.000 2.418 161 E HA 0.021 4.369 4.350 -0.003 0.000 0.197 161 E C 1.604 178.225 176.600 0.035 0.000 1.026 161 E CA 0.725 57.139 56.400 0.022 0.000 0.862 161 E CB -0.144 29.555 29.700 -0.001 0.000 0.799 161 E HN 0.763 nan 8.360 nan 0.000 0.518 162 I N -0.410 120.181 120.570 0.035 0.000 2.628 162 I HA -0.113 4.055 4.170 -0.003 0.000 0.255 162 I C 1.920 178.063 176.117 0.043 0.000 1.119 162 I CA 0.340 61.658 61.300 0.030 0.000 1.448 162 I CB -0.048 37.962 38.000 0.017 0.000 1.133 162 I HN 0.061 nan 8.210 nan 0.000 0.438 163 L N 0.628 121.897 121.223 0.076 0.000 2.079 163 L HA -0.220 4.118 4.340 -0.003 0.000 0.210 163 L C 0.964 177.866 176.870 0.053 0.000 1.081 163 L CA 1.340 56.228 54.840 0.080 0.000 0.752 163 L CB -0.389 41.780 42.059 0.183 0.000 0.896 163 L HN 0.251 nan 8.230 nan 0.000 0.433 164 D N 0.189 120.650 120.400 0.102 0.000 3.072 164 D HA 0.102 4.740 4.640 -0.003 0.000 0.250 164 D C -0.095 176.224 176.300 0.032 0.000 1.304 164 D CA -0.036 54.002 54.000 0.063 0.000 0.861 164 D CB 0.130 41.021 40.800 0.150 0.000 1.062 164 D HN 0.214 nan 8.370 nan 0.000 0.481 165 S N -1.102 114.606 115.700 0.014 0.000 2.615 165 S HA 0.351 4.819 4.470 -0.003 0.000 0.269 165 S C -1.325 173.275 174.600 -0.001 0.000 1.161 165 S CA -1.219 56.986 58.200 0.008 0.000 0.817 165 S CB 0.899 64.108 63.200 0.015 0.000 1.131 165 S HN -0.050 nan 8.310 nan 0.000 0.467 166 D N 1.607 122.007 120.400 -0.000 0.000 2.416 166 D HA 0.419 5.057 4.640 -0.003 0.000 0.240 166 D C 1.232 177.534 176.300 0.002 0.000 1.250 166 D CA -0.102 53.896 54.000 -0.002 0.000 0.967 166 D CB 0.542 41.341 40.800 -0.001 0.000 1.059 166 D HN 0.677 nan 8.370 nan 0.000 0.512 167 V N -0.693 119.222 119.914 0.001 0.000 3.359 167 V HA 0.153 4.271 4.120 -0.003 0.000 0.204 167 V C 1.165 177.263 176.094 0.007 0.000 1.410 167 V CA -0.369 61.935 62.300 0.007 0.000 1.303 167 V CB -0.524 31.305 31.823 0.011 0.000 1.198 167 V HN 0.340 nan 8.190 nan 0.000 0.531 168 L N 1.743 122.966 121.223 0.000 0.000 2.370 168 L HA 0.399 4.737 4.340 -0.003 0.000 0.191 168 L C 1.090 177.954 176.870 -0.011 0.000 1.203 168 L CA 2.267 57.105 54.840 -0.002 0.000 0.825 168 L CB 0.279 42.333 42.059 -0.009 0.000 1.048 168 L HN 0.795 nan 8.230 nan 0.000 0.487 169 D N -2.950 117.435 120.400 -0.024 0.000 2.755 169 D HA 0.099 4.737 4.640 -0.003 0.000 0.293 169 D C -0.044 176.230 176.300 -0.042 0.000 1.642 169 D CA -0.473 53.510 54.000 -0.029 0.000 0.825 169 D CB -0.209 40.573 40.800 -0.030 0.000 1.303 169 D HN 0.065 nan 8.370 nan 0.000 0.434 170 R N 0.341 120.815 120.500 -0.043 0.000 3.059 170 R HA -0.134 4.204 4.340 -0.003 0.000 0.251 170 R C -1.765 174.479 176.300 -0.093 0.000 0.886 170 R CA 0.238 56.301 56.100 -0.062 0.000 0.634 170 R CB -0.689 29.577 30.300 -0.057 0.000 1.282 170 R HN 0.217 nan 8.270 nan 0.000 0.487 171 P HA -0.189 nan 4.420 nan 0.000 0.223 171 P C 1.232 178.405 177.300 -0.210 0.000 1.144 171 P CA 0.510 63.529 63.100 -0.136 0.000 0.783 171 P CB 0.136 31.763 31.700 -0.121 0.000 0.771 172 L N -0.611 120.476 121.223 -0.228 0.000 2.263 172 L HA -0.204 4.134 4.340 -0.003 0.000 0.216 172 L C 1.631 178.316 176.870 -0.308 0.000 1.111 172 L CA 1.823 56.455 54.840 -0.346 0.000 0.773 172 L CB -1.132 40.720 42.059 -0.345 0.000 0.906 172 L HN 0.143 nan 8.230 nan 0.000 0.439 173 N N -0.425 118.152 118.700 -0.204 0.000 2.289 173 N HA -0.182 4.556 4.740 -0.003 0.000 0.184 173 N C 1.765 177.175 175.510 -0.166 0.000 1.016 173 N CA 0.909 53.869 53.050 -0.150 0.000 0.872 173 N CB 0.201 38.627 38.487 -0.100 0.000 0.973 173 N HN 0.294 nan 8.380 nan 0.000 0.433 174 I N -0.568 119.876 120.570 -0.210 0.000 3.939 174 I HA 0.082 4.250 4.170 -0.003 0.000 0.313 174 I C 1.497 177.420 176.117 -0.323 0.000 1.274 174 I CA 0.167 61.342 61.300 -0.208 0.000 1.301 174 I CB 0.351 38.260 38.000 -0.151 0.000 1.105 174 I HN 0.077 nan 8.210 nan 0.000 0.427 175 M N -0.124 119.188 119.600 -0.480 0.000 2.160 175 M HA -0.091 4.387 4.480 -0.003 0.000 0.264 175 M C 1.998 177.614 176.300 -1.139 0.000 1.073 175 M CA 1.280 56.064 55.300 -0.860 0.000 1.142 175 M CB -0.148 31.879 32.600 -0.956 0.000 1.358 175 M HN 0.081 nan 8.290 nan 0.000 0.422 176 I N 0.794 120.872 120.570 -0.820 0.000 2.091 176 I HA -0.202 3.966 4.170 -0.003 0.000 0.239 176 I C -0.483 175.385 176.117 -0.414 0.000 1.061 176 I CA 1.957 62.911 61.300 -0.576 0.000 1.317 176 I CB -2.785 34.957 38.000 -0.430 0.000 1.031 176 I HN 0.124 nan 8.210 nan 0.000 0.401 177 P HA -0.128 nan 4.420 nan 0.000 0.223 177 P C 1.692 178.872 177.300 -0.199 0.000 1.151 177 P CA 1.298 64.128 63.100 -0.449 0.000 0.787 177 P CB 0.031 31.443 31.700 -0.480 0.000 0.788 178 K N -0.855 119.450 120.400 -0.158 0.000 2.057 178 K HA -0.080 4.238 4.320 -0.003 0.000 0.206 178 K C 1.768 178.590 176.600 0.371 0.000 1.050 178 K CA 1.337 57.663 56.287 0.064 0.000 0.935 178 K CB -0.740 31.739 32.500 -0.035 0.000 0.715 178 K HN -0.116 nan 8.250 nan 0.000 0.439 179 F N 0.590 120.588 119.950 0.081 0.000 2.134 179 F HA -0.097 4.428 4.527 -0.003 0.000 0.299 179 F C 1.898 177.829 175.800 0.218 0.000 1.097 179 F CA 0.714 58.849 58.000 0.225 0.000 1.264 179 F CB -0.991 38.104 39.000 0.158 0.000 1.001 179 F HN -0.021 nan 8.300 nan 0.000 0.479 180 L N -0.217 121.062 121.223 0.094 0.000 1.989 180 L HA -0.222 4.116 4.340 -0.003 0.000 0.211 180 L C 2.416 179.247 176.870 -0.066 0.000 1.071 180 L CA 1.569 56.230 54.840 -0.299 0.000 0.749 180 L CB -1.141 40.728 42.059 -0.318 0.000 0.890 180 L HN 0.031 nan 8.230 nan 0.000 0.431 181 Q N -1.615 118.219 119.800 0.057 0.000 2.376 181 Q HA -0.157 4.181 4.340 -0.003 0.000 0.211 181 Q C 1.459 177.523 176.000 0.107 0.000 0.986 181 Q CA 1.350 57.191 55.803 0.064 0.000 0.886 181 Q CB -0.157 28.603 28.738 0.038 0.000 0.927 181 Q HN 0.426 nan 8.270 nan 0.000 0.457 182 F N -2.127 117.983 119.950 0.267 0.000 2.664 182 F HA 0.200 4.725 4.527 -0.004 0.000 0.303 182 F C 0.683 176.740 175.800 0.429 0.000 1.092 182 F CA -0.184 58.024 58.000 0.348 0.000 1.305 182 F CB 0.249 39.497 39.000 0.414 0.000 1.054 182 F HN 0.082 nan 8.300 nan 0.000 0.565 183 F N -0.267 119.824 119.950 0.235 0.000 2.367 183 F HA -0.079 4.447 4.527 -0.003 0.000 0.298 183 F C 1.921 177.786 175.800 0.108 0.000 1.094 183 F CA 0.441 58.535 58.000 0.157 0.000 1.409 183 F CB 0.121 39.203 39.000 0.138 0.000 1.064 183 F HN -0.284 nan 8.300 nan 0.000 0.528 184 K N -0.028 120.535 120.400 0.273 0.000 2.504 184 K HA 0.014 4.332 4.320 -0.003 0.000 0.199 184 K C -0.242 176.409 176.600 0.086 0.000 1.028 184 K CA 0.073 56.438 56.287 0.129 0.000 1.164 184 K CB -0.793 31.747 32.500 0.065 0.000 0.877 184 K HN 0.285 nan 8.250 nan 0.000 0.508 185 H N 0.149 119.249 119.070 0.049 0.000 2.603 185 H HA 0.010 4.564 4.556 -0.003 0.000 0.370 185 H C 1.417 176.755 175.328 0.017 0.000 1.225 185 H CA 0.564 56.634 56.048 0.037 0.000 1.410 185 H CB 1.030 30.880 29.762 0.146 0.000 1.495 185 H HN 0.049 nan 8.280 nan 0.000 0.602 186 S N 1.019 116.473 115.700 -0.410 0.000 2.321 186 S HA -0.020 4.448 4.470 -0.003 0.000 0.188 186 S C 0.742 175.352 174.600 0.017 0.000 1.080 186 S CA 0.194 58.279 58.200 -0.192 0.000 1.198 186 S CB -0.593 62.444 63.200 -0.271 0.000 0.926 186 S HN 0.549 nan 8.310 nan 0.000 0.426 187 S N 4.136 119.866 115.700 0.049 0.000 2.784 187 S HA 0.095 4.563 4.470 -0.003 0.000 0.322 187 S C -1.554 173.111 174.600 0.108 0.000 1.234 187 S CA -0.624 57.611 58.200 0.059 0.000 1.064 187 S CB 0.546 63.732 63.200 -0.024 0.000 0.787 187 S HN 0.360 nan 8.310 nan 0.000 0.506 188 P HA -0.128 nan 4.420 nan 0.000 0.215 188 P C 1.295 178.554 177.300 -0.069 0.000 1.153 188 P CA 1.072 64.156 63.100 -0.026 0.000 0.853 188 P CB 0.164 31.841 31.700 -0.038 0.000 0.788 189 K N -0.654 119.705 120.400 -0.068 0.000 2.113 189 K HA -0.156 4.162 4.320 -0.003 0.000 0.208 189 K C 2.034 178.389 176.600 -0.408 0.000 1.047 189 K CA 1.324 57.504 56.287 -0.179 0.000 0.928 189 K CB -0.591 31.822 32.500 -0.144 0.000 0.716 189 K HN 0.185 nan 8.250 nan 0.000 0.446 190 I N 0.165 120.533 120.570 -0.337 0.000 2.353 190 I HA -0.234 3.934 4.170 -0.003 0.000 0.248 190 I C 2.295 178.114 176.117 -0.496 0.000 1.119 190 I CA 0.949 61.910 61.300 -0.565 0.000 1.417 190 I CB -0.099 37.582 38.000 -0.531 0.000 1.078 190 I HN 0.142 nan 8.210 nan 0.000 0.421 191 R N 0.627 120.992 120.500 -0.225 0.000 2.075 191 R HA -0.135 4.203 4.340 -0.003 0.000 0.232 191 R C 2.599 178.729 176.300 -0.284 0.000 1.126 191 R CA 1.812 57.793 56.100 -0.198 0.000 0.963 191 R CB -0.447 29.781 30.300 -0.120 0.000 0.858 191 R HN 0.428 nan 8.270 nan 0.000 0.435 192 S N 0.285 115.857 115.700 -0.213 0.000 2.370 192 S HA -0.219 4.249 4.470 -0.003 0.000 0.226 192 S C 1.809 176.341 174.600 -0.114 0.000 1.033 192 S CA 1.203 59.316 58.200 -0.146 0.000 1.011 192 S CB -0.766 62.394 63.200 -0.068 0.000 0.852 192 S HN 0.461 nan 8.310 nan 0.000 0.457 193 H N 1.501 120.337 119.070 -0.390 0.000 2.387 193 H HA 0.017 4.570 4.556 -0.003 0.000 0.299 193 H C 2.670 177.710 175.328 -0.481 0.000 1.090 193 H CA 0.969 56.728 56.048 -0.483 0.000 1.332 193 H CB -0.286 28.965 29.762 -0.853 0.000 1.386 193 H HN 0.612 nan 8.280 nan 0.000 0.516 194 A N 0.676 123.233 122.820 -0.440 0.000 1.865 194 A HA -0.160 4.158 4.320 -0.003 0.000 0.217 194 A C 2.621 180.324 177.584 0.199 0.000 1.191 194 A CA 1.756 53.746 52.037 -0.078 0.000 0.623 194 A CB -1.041 18.044 19.000 0.141 0.000 0.826 194 A HN 0.313 nan 8.150 nan 0.000 0.444 195 V N -0.347 119.559 119.914 -0.014 0.000 2.307 195 V HA -0.064 4.054 4.120 -0.003 0.000 0.245 195 V C 2.682 178.867 176.094 0.151 0.000 1.045 195 V CA 2.214 64.599 62.300 0.142 0.000 1.024 195 V CB -0.998 30.715 31.823 -0.182 0.000 0.651 195 V HN 0.669 nan 8.190 nan 0.000 0.449 196 A N -0.232 122.597 122.820 0.014 0.000 1.909 196 A HA -0.354 3.964 4.320 -0.003 0.000 0.221 196 A C 2.400 180.005 177.584 0.035 0.000 1.223 196 A CA 2.875 54.907 52.037 -0.009 0.000 0.658 196 A CB -1.642 17.299 19.000 -0.098 0.000 0.831 196 A HN 0.738 nan 8.150 nan 0.000 0.462 197 C N -1.459 117.867 119.300 0.043 0.000 2.413 197 C HA -0.098 4.360 4.460 -0.003 0.000 0.278 197 C C 2.661 177.887 174.990 0.393 0.000 1.224 197 C CA 1.025 60.134 59.018 0.152 0.000 1.732 197 C CB -1.600 26.094 27.740 -0.077 0.000 2.050 197 C HN 0.504 nan 8.230 nan 0.000 0.463 198 V N 2.488 122.662 119.914 0.434 0.000 2.277 198 V HA -0.333 3.785 4.120 -0.003 0.000 0.253 198 V C 2.180 178.466 176.094 0.319 0.000 1.067 198 V CA 2.508 65.043 62.300 0.392 0.000 1.047 198 V CB -0.906 31.056 31.823 0.231 0.000 0.649 198 V HN 0.544 nan 8.190 nan 0.000 0.447 199 N N -0.030 118.799 118.700 0.215 0.000 2.094 199 N HA -0.208 4.530 4.740 -0.003 0.000 0.191 199 N C 1.795 177.310 175.510 0.008 0.000 1.023 199 N CA 1.358 54.487 53.050 0.132 0.000 0.857 199 N CB -0.525 38.024 38.487 0.103 0.000 1.013 199 N HN 0.496 nan 8.380 nan 0.000 0.426 200 Q N -0.354 119.350 119.800 -0.160 0.000 2.325 200 Q HA -0.093 4.245 4.340 -0.003 0.000 0.211 200 Q C 1.233 176.885 176.000 -0.579 0.000 0.988 200 Q CA 1.140 56.633 55.803 -0.518 0.000 0.887 200 Q CB -0.382 27.761 28.738 -0.991 0.000 0.915 200 Q HN 0.536 nan 8.270 nan 0.000 0.440 201 F N -1.947 118.005 119.950 0.003 0.000 2.724 201 F HA 0.227 4.752 4.527 -0.003 0.000 0.306 201 F C 1.821 177.613 175.800 -0.013 0.000 1.100 201 F CA -0.398 57.593 58.000 -0.013 0.000 1.255 201 F CB -0.109 38.872 39.000 -0.031 0.000 1.072 201 F HN -0.084 nan 8.300 nan 0.000 0.589 202 I N 0.231 120.885 120.570 0.140 0.000 2.226 202 I HA -0.284 3.884 4.170 -0.003 0.000 0.245 202 I C 2.280 178.451 176.117 0.090 0.000 1.100 202 I CA 1.085 62.457 61.300 0.120 0.000 1.374 202 I CB -0.300 37.798 38.000 0.163 0.000 1.057 202 I HN 0.069 nan 8.210 nan 0.000 0.413 203 I N 0.332 120.935 120.570 0.055 0.000 2.202 203 I HA -0.212 3.956 4.170 -0.003 0.000 0.242 203 I C 2.313 178.450 176.117 0.032 0.000 1.091 203 I CA 1.526 62.844 61.300 0.031 0.000 1.368 203 I CB -1.068 36.930 38.000 -0.002 0.000 1.058 203 I HN 0.151 nan 8.210 nan 0.000 0.410 204 S N 0.694 116.416 115.700 0.037 0.000 2.653 204 S HA 0.006 4.474 4.470 -0.003 0.000 0.233 204 S C 0.679 175.321 174.600 0.070 0.000 0.970 204 S CA -0.132 58.098 58.200 0.050 0.000 0.947 204 S CB -0.362 62.877 63.200 0.066 0.000 0.771 204 S HN 0.327 nan 8.310 nan 0.000 0.538 205 R N 2.159 122.700 120.500 0.069 0.000 3.184 205 R HA -0.144 4.194 4.340 -0.003 0.000 0.242 205 R C 0.048 176.379 176.300 0.052 0.000 0.907 205 R CA 0.840 56.974 56.100 0.057 0.000 0.618 205 R CB -2.204 28.120 30.300 0.040 0.000 1.016 205 R HN 0.600 nan 8.270 nan 0.000 0.469 206 T N -2.997 111.598 114.554 0.069 0.000 2.851 206 T HA 0.124 4.472 4.350 -0.003 0.000 0.298 206 T C 1.240 175.938 174.700 -0.004 0.000 0.977 206 T CA -0.616 61.507 62.100 0.038 0.000 1.126 206 T CB 1.752 70.646 68.868 0.044 0.000 0.916 206 T HN 0.357 nan 8.240 nan 0.000 0.529 207 Q N 2.182 121.972 119.800 -0.018 0.000 2.226 207 Q HA -0.053 4.285 4.340 -0.003 0.000 0.204 207 Q C 2.499 178.468 176.000 -0.052 0.000 0.975 207 Q CA 1.307 57.090 55.803 -0.033 0.000 0.866 207 Q CB -0.359 28.360 28.738 -0.032 0.000 0.915 207 Q HN 0.993 nan 8.270 nan 0.000 0.440 208 A N 0.247 123.023 122.820 -0.073 0.000 2.125 208 A HA -0.136 4.182 4.320 -0.003 0.000 0.219 208 A C 1.820 179.369 177.584 -0.059 0.000 1.156 208 A CA 0.953 52.934 52.037 -0.093 0.000 0.671 208 A CB -0.141 18.752 19.000 -0.178 0.000 0.794 208 A HN 0.349 nan 8.150 nan 0.000 0.459 209 L N -1.749 119.435 121.223 -0.066 0.000 2.347 209 L HA 0.154 4.492 4.340 -0.003 0.000 0.196 209 L C 2.087 178.965 176.870 0.013 0.000 1.072 209 L CA 1.153 55.964 54.840 -0.048 0.000 0.817 209 L CB -0.480 41.515 42.059 -0.108 0.000 1.029 209 L HN 0.210 nan 8.230 nan 0.000 0.478 210 M N -0.235 119.364 119.600 -0.001 0.000 2.192 210 M HA -0.233 4.245 4.480 -0.003 0.000 0.259 210 M C 2.276 178.555 176.300 -0.036 0.000 1.071 210 M CA 1.636 56.941 55.300 0.008 0.000 1.082 210 M CB -1.475 31.126 32.600 0.003 0.000 1.373 210 M HN 0.299 nan 8.290 nan 0.000 0.408 211 L N -0.832 120.324 121.223 -0.113 0.000 2.447 211 L HA -0.216 4.122 4.340 -0.003 0.000 0.225 211 L C 0.899 177.445 176.870 -0.541 0.000 1.148 211 L CA 1.181 55.829 54.840 -0.320 0.000 0.808 211 L CB -0.637 41.170 42.059 -0.420 0.000 0.928 211 L HN 0.481 nan 8.230 nan 0.000 0.448 212 H N -3.284 115.777 119.070 -0.015 0.000 3.052 212 H HA 0.075 4.629 4.556 -0.003 0.000 0.257 212 H C 1.355 176.729 175.328 0.077 0.000 1.193 212 H CA -0.403 55.650 56.048 0.008 0.000 1.072 212 H CB 0.538 30.284 29.762 -0.026 0.000 1.685 212 H HN -0.016 nan 8.280 nan 0.000 0.630 213 I N 1.359 122.022 120.570 0.155 0.000 2.103 213 I HA -0.403 3.765 4.170 -0.003 0.000 0.241 213 I C 1.559 177.788 176.117 0.186 0.000 1.036 213 I CA 1.965 63.387 61.300 0.204 0.000 1.300 213 I CB -0.035 38.041 38.000 0.126 0.000 1.010 213 I HN 0.235 nan 8.210 nan 0.000 0.406 214 D N -0.202 120.263 120.400 0.108 0.000 2.127 214 D HA -0.241 4.397 4.640 -0.003 0.000 0.190 214 D C 2.411 178.761 176.300 0.084 0.000 1.000 214 D CA 1.936 55.981 54.000 0.075 0.000 0.839 214 D CB -0.639 40.191 40.800 0.050 0.000 0.955 214 D HN 0.453 nan 8.370 nan 0.000 0.446 215 S N -1.117 114.653 115.700 0.116 0.000 2.402 215 S HA -0.126 4.342 4.470 -0.003 0.000 0.229 215 S C 1.798 176.476 174.600 0.130 0.000 1.021 215 S CA 0.650 58.915 58.200 0.107 0.000 0.974 215 S CB -0.467 62.809 63.200 0.127 0.000 0.800 215 S HN 0.344 nan 8.310 nan 0.000 0.484 216 F N 2.354 122.308 119.950 0.007 0.000 2.031 216 F HA -0.144 4.381 4.527 -0.003 0.000 0.295 216 F C 1.904 177.729 175.800 0.041 0.000 1.133 216 F CA 1.656 59.647 58.000 -0.015 0.000 1.188 216 F CB -0.220 38.797 39.000 0.029 0.000 0.974 216 F HN 0.160 nan 8.300 nan 0.000 0.473 217 I N 0.931 121.359 120.570 -0.237 0.000 2.194 217 I HA -0.329 3.839 4.170 -0.003 0.000 0.246 217 I C 2.286 178.323 176.117 -0.134 0.000 1.093 217 I CA 1.782 62.902 61.300 -0.301 0.000 1.355 217 I CB -1.939 35.965 38.000 -0.160 0.000 1.046 217 I HN 0.436 nan 8.210 nan 0.000 0.413 218 E N 1.535 121.704 120.200 -0.052 0.000 2.033 218 E HA -0.284 4.064 4.350 -0.003 0.000 0.199 218 E C 1.995 178.605 176.600 0.017 0.000 1.011 218 E CA 2.203 58.595 56.400 -0.013 0.000 0.815 218 E CB -0.118 29.589 29.700 0.012 0.000 0.755 218 E HN 0.589 nan 8.360 nan 0.000 0.451 219 N N -0.225 118.500 118.700 0.041 0.000 2.223 219 N HA -0.150 4.588 4.740 -0.003 0.000 0.185 219 N C 1.685 177.342 175.510 0.244 0.000 1.016 219 N CA 0.605 53.736 53.050 0.136 0.000 0.863 219 N CB -0.002 38.527 38.487 0.070 0.000 0.983 219 N HN 0.100 nan 8.380 nan 0.000 0.429 220 L N -0.508 120.782 121.223 0.112 0.000 1.993 220 L HA 0.035 4.373 4.340 -0.003 0.000 0.206 220 L C 1.735 178.583 176.870 -0.037 0.000 1.074 220 L CA 1.479 56.348 54.840 0.049 0.000 0.746 220 L CB -0.635 41.247 42.059 -0.294 0.000 0.896 220 L HN 0.059 nan 8.230 nan 0.000 0.435 221 F N 0.014 119.836 119.950 -0.214 0.000 2.146 221 F HA -0.103 4.422 4.527 -0.004 0.000 0.298 221 F C 2.337 178.019 175.800 -0.198 0.000 1.096 221 F CA 1.275 59.120 58.000 -0.258 0.000 1.275 221 F CB -0.523 38.295 39.000 -0.303 0.000 1.008 221 F HN 0.175 nan 8.300 nan 0.000 0.480 222 A N 0.354 123.160 122.820 -0.024 0.000 1.940 222 A HA -0.227 4.091 4.320 -0.003 0.000 0.219 222 A C 2.251 179.768 177.584 -0.112 0.000 1.176 222 A CA 1.883 53.885 52.037 -0.059 0.000 0.631 222 A CB -1.286 17.713 19.000 -0.002 0.000 0.814 222 A HN 0.567 nan 8.150 nan 0.000 0.446 223 L N -0.151 121.022 121.223 -0.083 0.000 2.012 223 L HA 0.023 4.361 4.340 -0.003 0.000 0.210 223 L C 1.578 178.342 176.870 -0.178 0.000 1.073 223 L CA 0.969 55.756 54.840 -0.088 0.000 0.748 223 L CB -0.662 41.372 42.059 -0.041 0.000 0.891 223 L HN 0.406 nan 8.230 nan 0.000 0.431 224 A N -0.009 122.623 122.820 -0.314 0.000 2.589 224 A HA 0.264 4.582 4.320 -0.003 0.000 0.265 224 A C 0.994 178.457 177.584 -0.200 0.000 0.973 224 A CA 1.078 52.881 52.037 -0.389 0.000 0.902 224 A CB -1.164 17.265 19.000 -0.951 0.000 0.846 224 A HN 0.920 nan 8.150 nan 0.000 0.489 225 G N 1.283 110.050 108.800 -0.055 0.000 1.732 225 G HA2 0.130 4.088 3.960 -0.003 0.000 0.054 225 G HA3 0.130 4.088 3.960 -0.003 0.000 0.054 225 G C -0.065 174.813 174.900 -0.035 0.000 0.951 225 G CA 0.510 45.596 45.100 -0.024 0.000 1.146 225 G HN 1.526 nan 8.290 nan 0.000 0.353 226 D N 1.736 122.105 120.400 -0.051 0.000 3.142 226 D HA -0.129 4.509 4.640 -0.003 0.000 0.221 226 D C 1.411 177.683 176.300 -0.046 0.000 1.193 226 D CA 1.374 55.343 54.000 -0.052 0.000 0.900 226 D CB -0.683 40.077 40.800 -0.067 0.000 0.886 226 D HN 0.687 nan 8.370 nan 0.000 0.399 227 E N 0.523 120.698 120.200 -0.042 0.000 2.348 227 E HA -0.301 4.047 4.350 -0.003 0.000 0.234 227 E C 0.774 177.349 176.600 -0.041 0.000 1.110 227 E CA 1.878 58.254 56.400 -0.040 0.000 0.987 227 E CB -0.082 29.596 29.700 -0.038 0.000 0.834 227 E HN 0.558 nan 8.360 nan 0.000 0.468 228 E N 0.681 120.856 120.200 -0.042 0.000 2.265 228 E HA 0.005 4.353 4.350 -0.003 0.000 0.272 228 E C -1.999 174.576 176.600 -0.041 0.000 1.067 228 E CA -1.561 54.815 56.400 -0.040 0.000 0.900 228 E CB 0.951 30.626 29.700 -0.041 0.000 1.017 228 E HN -0.123 nan 8.360 nan 0.000 0.431 229 P HA -0.107 nan 4.420 nan 0.000 0.226 229 P C 0.602 177.883 177.300 -0.032 0.000 1.153 229 P CA 0.595 63.674 63.100 -0.034 0.000 0.777 229 P CB 0.354 32.036 31.700 -0.030 0.000 0.794 230 E N -0.313 119.868 120.200 -0.032 0.000 2.077 230 E HA -0.106 4.242 4.350 -0.003 0.000 0.193 230 E C 1.980 178.552 176.600 -0.046 0.000 0.989 230 E CA 1.070 57.451 56.400 -0.031 0.000 0.800 230 E CB -0.688 28.997 29.700 -0.026 0.000 0.746 230 E HN 0.084 nan 8.360 nan 0.000 0.452 231 V N 1.395 121.272 119.914 -0.061 0.000 2.270 231 V HA -0.228 3.890 4.120 -0.003 0.000 0.245 231 V C 2.474 178.524 176.094 -0.073 0.000 1.043 231 V CA 1.546 63.792 62.300 -0.090 0.000 1.014 231 V CB -0.421 31.339 31.823 -0.105 0.000 0.645 231 V HN 0.203 nan 8.190 nan 0.000 0.447 232 R N 0.066 120.536 120.500 -0.050 0.000 2.119 232 R HA -0.229 4.109 4.340 -0.003 0.000 0.246 232 R C 2.428 178.718 176.300 -0.016 0.000 1.146 232 R CA 1.574 57.661 56.100 -0.023 0.000 0.962 232 R CB -0.576 29.711 30.300 -0.021 0.000 0.863 232 R HN 0.384 nan 8.270 nan 0.000 0.442 233 K N 1.086 121.472 120.400 -0.023 0.000 2.032 233 K HA -0.193 4.125 4.320 -0.003 0.000 0.218 233 K C 1.512 178.106 176.600 -0.010 0.000 1.054 233 K CA 1.905 58.184 56.287 -0.014 0.000 0.941 233 K CB -0.279 32.212 32.500 -0.016 0.000 0.720 233 K HN 0.251 nan 8.250 nan 0.000 0.449 234 N N 0.375 119.062 118.700 -0.023 0.000 2.354 234 N HA -0.095 4.643 4.740 -0.003 0.000 0.179 234 N C 1.970 177.483 175.510 0.004 0.000 1.021 234 N CA 0.760 53.803 53.050 -0.012 0.000 0.887 234 N CB -0.215 38.253 38.487 -0.032 0.000 0.974 234 N HN 0.008 nan 8.380 nan 0.000 0.437 235 V N 1.167 121.067 119.914 -0.024 0.000 2.261 235 V HA -0.251 3.867 4.120 -0.003 0.000 0.246 235 V C 2.660 178.750 176.094 -0.006 0.000 1.047 235 V CA 1.254 63.537 62.300 -0.027 0.000 1.015 235 V CB -0.725 31.059 31.823 -0.066 0.000 0.642 235 V HN 0.342 nan 8.190 nan 0.000 0.446 236 C N -0.307 118.996 119.300 0.005 0.000 2.398 236 C HA -0.226 4.232 4.460 -0.003 0.000 0.276 236 C C 3.034 178.029 174.990 0.008 0.000 1.222 236 C CA 1.873 60.892 59.018 0.002 0.000 1.746 236 C CB -1.092 26.651 27.740 0.005 0.000 2.039 236 C HN 0.513 nan 8.230 nan 0.000 0.470 237 R N 0.011 120.526 120.500 0.025 0.000 2.096 237 R HA -0.103 4.235 4.340 -0.003 0.000 0.235 237 R C 2.244 178.585 176.300 0.068 0.000 1.127 237 R CA 1.516 57.640 56.100 0.041 0.000 0.968 237 R CB -0.342 29.977 30.300 0.031 0.000 0.861 237 R HN 0.576 nan 8.270 nan 0.000 0.440 238 A N 1.032 123.905 122.820 0.089 0.000 1.845 238 A HA -0.158 4.160 4.320 -0.003 0.000 0.215 238 A C 2.136 179.792 177.584 0.121 0.000 1.195 238 A CA 1.265 53.396 52.037 0.157 0.000 0.616 238 A CB -0.684 18.449 19.000 0.222 0.000 0.832 238 A HN 0.294 nan 8.150 nan 0.000 0.443 239 L N -0.317 120.939 121.223 0.055 0.000 2.081 239 L HA -0.214 4.124 4.340 -0.003 0.000 0.212 239 L C 2.518 179.450 176.870 0.103 0.000 1.080 239 L CA 1.238 56.100 54.840 0.037 0.000 0.754 239 L CB -0.848 41.179 42.059 -0.053 0.000 0.893 239 L HN 0.254 nan 8.230 nan 0.000 0.433 240 V N -0.133 119.848 119.914 0.111 0.000 2.255 240 V HA -0.347 3.771 4.120 -0.003 0.000 0.247 240 V C 2.465 178.623 176.094 0.107 0.000 1.051 240 V CA 2.331 64.719 62.300 0.146 0.000 1.018 240 V CB -0.450 31.438 31.823 0.108 0.000 0.641 240 V HN 0.409 nan 8.190 nan 0.000 0.445 241 M N -1.076 118.580 119.600 0.093 0.000 2.200 241 M HA -0.112 4.366 4.480 -0.003 0.000 0.265 241 M C 2.176 178.537 176.300 0.102 0.000 1.066 241 M CA 1.520 56.870 55.300 0.083 0.000 1.127 241 M CB -0.444 32.205 32.600 0.081 0.000 1.379 241 M HN 0.299 nan 8.290 nan 0.000 0.420 242 L N 0.545 121.846 121.223 0.130 0.000 2.131 242 L HA -0.141 4.197 4.340 -0.003 0.000 0.210 242 L C 2.162 179.094 176.870 0.103 0.000 1.092 242 L CA 1.395 56.318 54.840 0.139 0.000 0.759 242 L CB -0.546 41.597 42.059 0.141 0.000 0.903 242 L HN 0.198 nan 8.230 nan 0.000 0.435 243 L N -0.688 120.597 121.223 0.104 0.000 2.127 243 L HA -0.222 4.116 4.340 -0.003 0.000 0.211 243 L C 2.306 179.214 176.870 0.062 0.000 1.089 243 L CA 1.714 56.611 54.840 0.095 0.000 0.757 243 L CB -0.354 41.781 42.059 0.126 0.000 0.899 243 L HN 0.366 nan 8.230 nan 0.000 0.434 244 E N -1.549 118.686 120.200 0.058 0.000 2.016 244 E HA -0.162 4.186 4.350 -0.003 0.000 0.190 244 E C 2.122 178.749 176.600 0.044 0.000 0.985 244 E CA 1.482 57.907 56.400 0.041 0.000 0.802 244 E CB -0.178 29.543 29.700 0.034 0.000 0.762 244 E HN 0.303 nan 8.360 nan 0.000 0.448 245 V N 0.710 120.658 119.914 0.057 0.000 2.273 245 V HA -0.090 4.028 4.120 -0.003 0.000 0.242 245 V C 1.315 177.444 176.094 0.058 0.000 1.035 245 V CA 1.234 63.568 62.300 0.057 0.000 1.013 245 V CB -0.105 31.759 31.823 0.068 0.000 0.652 245 V HN 0.127 nan 8.190 nan 0.000 0.452 246 R N 0.040 120.584 120.500 0.073 0.000 3.472 246 R HA 0.303 4.641 4.340 -0.003 0.000 0.322 246 R C 1.194 177.528 176.300 0.057 0.000 1.330 246 R CA -0.369 55.771 56.100 0.067 0.000 1.387 246 R CB 0.282 30.635 30.300 0.089 0.000 1.446 246 R HN 0.295 nan 8.270 nan 0.000 0.628 247 M N 1.539 121.168 119.600 0.048 0.000 2.106 247 M HA -0.173 4.305 4.480 -0.003 0.000 0.259 247 M C 0.509 176.830 176.300 0.035 0.000 1.068 247 M CA 1.754 57.080 55.300 0.043 0.000 1.100 247 M CB -0.500 32.122 32.600 0.036 0.000 1.351 247 M HN 0.257 nan 8.290 nan 0.000 0.404 248 D N -0.571 119.847 120.400 0.031 0.000 2.813 248 D HA -0.084 4.554 4.640 -0.003 0.000 0.248 248 D C 1.181 177.496 176.300 0.024 0.000 1.254 248 D CA 0.260 54.274 54.000 0.023 0.000 0.921 248 D CB -0.089 40.724 40.800 0.021 0.000 1.118 248 D HN 0.290 nan 8.370 nan 0.000 0.450 249 R N -0.950 119.566 120.500 0.026 0.000 2.851 249 R HA 0.114 4.452 4.340 -0.003 0.000 0.177 249 R C 1.629 177.940 176.300 0.018 0.000 0.888 249 R CA -0.146 55.970 56.100 0.026 0.000 1.326 249 R CB -0.230 30.090 30.300 0.034 0.000 1.668 249 R HN 0.104 nan 8.270 nan 0.000 0.575 250 L N 1.275 122.503 121.223 0.009 0.000 2.131 250 L HA 0.026 4.364 4.340 -0.003 0.000 0.206 250 L C 2.248 179.114 176.870 -0.006 0.000 1.087 250 L CA 1.030 55.862 54.840 -0.013 0.000 0.767 250 L CB -0.573 41.488 42.059 0.004 0.000 0.917 250 L HN 0.065 nan 8.230 nan 0.000 0.441 251 L N 0.341 121.568 121.223 0.006 0.000 2.011 251 L HA -0.246 4.092 4.340 -0.003 0.000 0.225 251 L C 0.139 176.978 176.870 -0.052 0.000 1.084 251 L CA 2.615 57.455 54.840 0.000 0.000 0.791 251 L CB -2.445 39.615 42.059 0.001 0.000 0.898 251 L HN 0.203 nan 8.230 nan 0.000 0.440 252 P HA -0.179 nan 4.420 nan 0.000 0.218 252 P C 0.797 177.826 177.300 -0.450 0.000 1.154 252 P CA 1.649 64.577 63.100 -0.287 0.000 0.872 252 P CB -0.126 31.378 31.700 -0.327 0.000 0.790 253 H N -3.043 115.949 119.070 -0.130 0.000 2.472 253 H HA 0.270 4.824 4.556 -0.004 0.000 0.287 253 H C 1.390 176.622 175.328 -0.161 0.000 1.112 253 H CA -0.301 55.629 56.048 -0.196 0.000 1.021 253 H CB 0.009 29.510 29.762 -0.435 0.000 1.635 253 H HN 0.070 nan 8.280 nan 0.000 0.559 254 M N 0.341 119.955 119.600 0.023 0.000 2.117 254 M HA -0.156 4.322 4.480 -0.003 0.000 0.262 254 M C 1.894 178.296 176.300 0.170 0.000 1.065 254 M CA 1.885 57.239 55.300 0.091 0.000 1.114 254 M CB -0.387 32.287 32.600 0.123 0.000 1.361 254 M HN 0.231 nan 8.290 nan 0.000 0.408 255 H N -0.340 118.786 119.070 0.092 0.000 2.428 255 H HA 0.038 4.592 4.556 -0.003 0.000 0.296 255 H C 1.690 177.113 175.328 0.157 0.000 1.062 255 H CA 1.621 57.763 56.048 0.157 0.000 1.350 255 H CB -0.009 29.840 29.762 0.144 0.000 1.403 255 H HN 0.430 nan 8.280 nan 0.000 0.533 256 N N -0.132 118.684 118.700 0.195 0.000 2.216 256 N HA -0.073 4.665 4.740 -0.003 0.000 0.183 256 N C 1.951 177.597 175.510 0.226 0.000 1.017 256 N CA 0.895 54.072 53.050 0.211 0.000 0.861 256 N CB -0.121 38.535 38.487 0.280 0.000 0.986 256 N HN 0.367 nan 8.380 nan 0.000 0.428 257 I N 0.750 121.399 120.570 0.132 0.000 2.127 257 I HA -0.263 3.905 4.170 -0.003 0.000 0.241 257 I C 2.226 178.350 176.117 0.012 0.000 1.075 257 I CA 1.144 62.492 61.300 0.081 0.000 1.334 257 I CB -0.474 37.488 38.000 -0.062 0.000 1.040 257 I HN 0.004 nan 8.210 nan 0.000 0.405 258 V N -1.210 118.716 119.914 0.020 0.000 2.407 258 V HA -0.227 3.891 4.120 -0.003 0.000 0.248 258 V C 2.350 178.435 176.094 -0.015 0.000 1.055 258 V CA 2.046 64.365 62.300 0.031 0.000 1.049 258 V CB -0.807 31.041 31.823 0.042 0.000 0.662 258 V HN 0.360 nan 8.190 nan 0.000 0.455 259 E N 0.201 120.364 120.200 -0.061 0.000 2.072 259 E HA -0.174 4.174 4.350 -0.003 0.000 0.190 259 E C 1.982 178.619 176.600 0.060 0.000 0.982 259 E CA 1.656 58.042 56.400 -0.023 0.000 0.803 259 E CB -0.727 28.981 29.700 0.012 0.000 0.755 259 E HN 0.764 nan 8.360 nan 0.000 0.453 260 Y N 0.095 120.378 120.300 -0.028 0.000 2.128 260 Y HA -0.247 4.302 4.550 -0.002 0.000 0.284 260 Y C 1.966 177.813 175.900 -0.087 0.000 1.154 260 Y CA 2.103 60.169 58.100 -0.056 0.000 1.149 260 Y CB -0.203 38.224 38.460 -0.056 0.000 0.976 260 Y HN 0.051 nan 8.280 nan 0.000 0.505 261 M N -0.168 119.435 119.600 0.006 0.000 2.346 261 M HA -0.215 4.263 4.480 -0.003 0.000 0.263 261 M C 2.236 178.599 176.300 0.104 0.000 1.064 261 M CA 1.318 56.496 55.300 -0.203 0.000 1.083 261 M CB -1.291 30.804 32.600 -0.842 0.000 1.399 261 M HN 0.537 nan 8.290 nan 0.000 0.435 262 L N -0.139 121.231 121.223 0.244 0.000 2.131 262 L HA -0.186 4.152 4.340 -0.003 0.000 0.206 262 L C 2.450 179.337 176.870 0.028 0.000 1.087 262 L CA 1.021 56.000 54.840 0.233 0.000 0.767 262 L CB -0.186 41.933 42.059 0.101 0.000 0.917 262 L HN 0.212 nan 8.230 nan 0.000 0.441 263 Q N -0.247 119.490 119.800 -0.104 0.000 2.079 263 Q HA -0.180 4.158 4.340 -0.003 0.000 0.200 263 Q C 2.310 178.180 176.000 -0.218 0.000 0.974 263 Q CA 1.260 56.954 55.803 -0.181 0.000 0.840 263 Q CB -0.369 28.210 28.738 -0.265 0.000 0.898 263 Q HN 0.281 nan 8.270 nan 0.000 0.430 264 R N -0.032 120.271 120.500 -0.329 0.000 2.148 264 R HA 0.036 4.374 4.340 -0.003 0.000 0.223 264 R C 2.024 178.274 176.300 -0.084 0.000 1.088 264 R CA 0.921 56.868 56.100 -0.256 0.000 0.985 264 R CB -0.921 29.170 30.300 -0.349 0.000 0.880 264 R HN 0.176 nan 8.270 nan 0.000 0.451 265 T N 0.131 114.692 114.554 0.011 0.000 3.072 265 T HA -0.021 4.327 4.350 -0.003 0.000 0.266 265 T C 0.885 175.619 174.700 0.058 0.000 1.127 265 T CA 0.935 63.116 62.100 0.136 0.000 1.107 265 T CB 0.027 69.146 68.868 0.419 0.000 0.910 265 T HN 0.272 nan 8.240 nan 0.000 0.513 266 Q N 0.269 120.067 119.800 -0.003 0.000 2.139 266 Q HA 0.131 4.470 4.340 -0.003 0.000 0.219 266 Q C -0.662 175.310 176.000 -0.046 0.000 0.805 266 Q CA -0.297 55.491 55.803 -0.026 0.000 1.024 266 Q CB 0.651 29.368 28.738 -0.035 0.000 1.163 266 Q HN 0.201 nan 8.270 nan 0.000 0.485 267 D N 2.145 122.509 120.400 -0.060 0.000 2.451 267 D HA -0.096 4.542 4.640 -0.003 0.000 0.254 267 D C 1.455 177.729 176.300 -0.044 0.000 1.204 267 D CA 0.322 54.281 54.000 -0.068 0.000 0.896 267 D CB 1.032 41.784 40.800 -0.080 0.000 1.136 267 D HN 0.150 nan 8.370 nan 0.000 0.499 268 Q N 2.486 122.261 119.800 -0.042 0.000 2.290 268 Q HA -0.249 4.089 4.340 -0.003 0.000 0.211 268 Q C -0.224 175.761 176.000 -0.025 0.000 0.991 268 Q CA 1.233 57.017 55.803 -0.032 0.000 0.893 268 Q CB -0.651 28.068 28.738 -0.031 0.000 0.913 268 Q HN 0.440 nan 8.270 nan 0.000 0.428 269 D N 2.282 122.666 120.400 -0.027 0.000 2.346 269 D HA 0.005 4.643 4.640 -0.003 0.000 0.267 269 D C 0.762 177.054 176.300 -0.013 0.000 1.320 269 D CA 0.058 54.046 54.000 -0.019 0.000 0.951 269 D CB 0.636 41.423 40.800 -0.022 0.000 1.079 269 D HN 0.102 nan 8.370 nan 0.000 0.509 270 E N 2.540 122.735 120.200 -0.008 0.000 2.114 270 E HA -0.272 4.076 4.350 -0.003 0.000 0.199 270 E C 1.486 178.089 176.600 0.006 0.000 1.008 270 E CA 1.220 57.618 56.400 -0.003 0.000 0.810 270 E CB -0.208 29.492 29.700 -0.001 0.000 0.739 270 E HN 0.609 nan 8.360 nan 0.000 0.456 271 N N 0.513 119.217 118.700 0.007 0.000 2.453 271 N HA -0.099 4.639 4.740 -0.003 0.000 0.183 271 N C 1.683 177.202 175.510 0.014 0.000 1.041 271 N CA 0.832 53.891 53.050 0.015 0.000 0.900 271 N CB -0.537 37.956 38.487 0.010 0.000 0.961 271 N HN 0.015 nan 8.380 nan 0.000 0.443 272 V N 0.417 120.332 119.914 0.003 0.000 2.374 272 V HA 0.083 4.201 4.120 -0.003 0.000 0.241 272 V C 2.521 178.619 176.094 0.007 0.000 1.034 272 V CA 1.405 63.703 62.300 -0.003 0.000 1.037 272 V CB -1.053 30.757 31.823 -0.023 0.000 0.682 272 V HN 0.449 nan 8.190 nan 0.000 0.463 273 A N -0.072 122.752 122.820 0.007 0.000 1.940 273 A HA -0.236 4.082 4.320 -0.003 0.000 0.219 273 A C 2.155 179.771 177.584 0.053 0.000 1.176 273 A CA 1.997 54.051 52.037 0.028 0.000 0.631 273 A CB -0.685 18.326 19.000 0.017 0.000 0.814 273 A HN 0.412 nan 8.150 nan 0.000 0.446 274 L N -0.148 121.102 121.223 0.045 0.000 2.034 274 L HA -0.243 4.095 4.340 -0.003 0.000 0.217 274 L C 2.431 179.364 176.870 0.105 0.000 1.077 274 L CA 2.395 57.275 54.840 0.067 0.000 0.769 274 L CB -0.410 41.687 42.059 0.065 0.000 0.890 274 L HN 0.444 nan 8.230 nan 0.000 0.435 275 E N -1.257 118.993 120.200 0.082 0.000 2.060 275 E HA -0.023 4.325 4.350 -0.003 0.000 0.189 275 E C 2.215 178.863 176.600 0.081 0.000 0.974 275 E CA 1.018 57.469 56.400 0.085 0.000 0.808 275 E CB -0.453 29.278 29.700 0.051 0.000 0.768 275 E HN 0.509 nan 8.360 nan 0.000 0.453 276 A N 1.624 124.474 122.820 0.049 0.000 1.948 276 A HA -0.268 4.050 4.320 -0.003 0.000 0.220 276 A C 2.538 180.174 177.584 0.087 0.000 1.177 276 A CA 1.719 53.764 52.037 0.013 0.000 0.636 276 A CB -1.325 17.676 19.000 0.002 0.000 0.815 276 A HN 0.435 nan 8.150 nan 0.000 0.449 277 c N -0.076 118.638 118.600 0.191 0.000 2.367 277 c HA -0.207 4.361 4.570 -0.003 0.000 0.276 277 c C 2.370 176.622 174.090 0.269 0.000 1.195 277 c CA 1.834 58.340 56.329 0.294 0.000 1.756 277 c CB -1.446 41.173 42.510 0.181 0.000 2.046 277 c HN 0.697 nan 8.230 nan 0.000 0.453 278 E N -0.991 119.327 120.200 0.196 0.000 2.515 278 E HA -0.112 4.236 4.350 -0.003 0.000 0.201 278 E C 1.479 178.137 176.600 0.096 0.000 1.071 278 E CA 0.521 57.028 56.400 0.177 0.000 0.880 278 E CB -0.228 29.586 29.700 0.191 0.000 0.828 278 E HN 0.852 nan 8.360 nan 0.000 0.540 279 F N 0.167 120.022 119.950 -0.158 0.000 2.039 279 F HA -0.192 4.333 4.527 -0.004 0.000 0.294 279 F C 1.401 177.061 175.800 -0.234 0.000 1.130 279 F CA 1.593 59.400 58.000 -0.323 0.000 1.189 279 F CB -0.714 37.891 39.000 -0.657 0.000 0.983 279 F HN 0.016 nan 8.300 nan 0.000 0.471 280 W N 0.744 121.880 121.300 -0.274 0.000 2.342 280 W HA -0.175 4.484 4.660 -0.002 0.000 0.297 280 W C 2.474 178.855 176.519 -0.231 0.000 1.213 280 W CA 0.874 57.999 57.345 -0.368 0.000 1.251 280 W CB -1.126 28.270 29.460 -0.107 0.000 1.136 280 W HN 0.108 nan 8.180 nan 0.000 0.526 281 L N 0.707 121.999 121.223 0.115 0.000 2.042 281 L HA -0.196 4.142 4.340 -0.003 0.000 0.210 281 L C 1.794 178.669 176.870 0.010 0.000 1.076 281 L CA 2.502 57.392 54.840 0.084 0.000 0.749 281 L CB -1.216 40.926 42.059 0.138 0.000 0.893 281 L HN 0.066 nan 8.230 nan 0.000 0.432 282 T N 0.048 114.569 114.554 -0.056 0.000 3.014 282 T HA -0.090 4.258 4.350 -0.003 0.000 0.263 282 T C 1.917 176.542 174.700 -0.126 0.000 1.078 282 T CA 0.748 62.808 62.100 -0.067 0.000 1.135 282 T CB -0.014 68.828 68.868 -0.043 0.000 0.895 282 T HN 0.294 nan 8.240 nan 0.000 0.480 283 L N 1.227 122.284 121.223 -0.277 0.000 1.976 283 L HA -0.063 4.275 4.340 -0.003 0.000 0.209 283 L C 2.752 179.572 176.870 -0.083 0.000 1.071 283 L CA 1.565 56.248 54.840 -0.261 0.000 0.746 283 L CB -0.568 41.202 42.059 -0.481 0.000 0.890 283 L HN 0.278 nan 8.230 nan 0.000 0.432 284 A N -0.791 122.007 122.820 -0.037 0.000 2.131 284 A HA -0.194 4.124 4.320 -0.003 0.000 0.220 284 A C 2.009 179.610 177.584 0.027 0.000 1.158 284 A CA 1.383 53.439 52.037 0.031 0.000 0.665 284 A CB -0.466 18.566 19.000 0.054 0.000 0.795 284 A HN 0.544 nan 8.150 nan 0.000 0.460 285 E N 0.613 120.816 120.200 0.005 0.000 2.031 285 E HA -0.150 4.198 4.350 -0.003 0.000 0.193 285 E C 0.547 177.154 176.600 0.012 0.000 0.994 285 E CA 0.921 57.328 56.400 0.011 0.000 0.800 285 E CB -0.344 29.358 29.700 0.003 0.000 0.752 285 E HN 0.848 nan 8.360 nan 0.000 0.447 286 Q N 1.883 121.687 119.800 0.007 0.000 2.314 286 Q HA 0.143 4.481 4.340 -0.003 0.000 0.257 286 Q C -2.061 173.951 176.000 0.020 0.000 0.975 286 Q CA -1.391 54.419 55.803 0.012 0.000 0.933 286 Q CB 0.851 29.595 28.738 0.010 0.000 1.195 286 Q HN 0.003 nan 8.270 nan 0.000 0.426 287 P HA -0.013 nan 4.420 nan 0.000 0.243 287 P C 0.312 177.624 177.300 0.019 0.000 1.668 287 P CA 0.043 63.158 63.100 0.025 0.000 0.898 287 P CB -0.138 31.572 31.700 0.017 0.000 1.637 288 I N -1.732 118.852 120.570 0.023 0.000 3.605 288 I HA 0.071 4.239 4.170 -0.003 0.000 0.301 288 I C -0.247 175.885 176.117 0.025 0.000 1.267 288 I CA -0.217 61.095 61.300 0.020 0.000 1.236 288 I CB -1.832 36.180 38.000 0.020 0.000 1.010 288 I HN 0.108 nan 8.210 nan 0.000 0.491 289 C N -0.260 119.058 119.300 0.031 0.000 2.544 289 C HA 0.206 4.664 4.460 -0.003 0.000 0.390 289 C C 1.040 176.061 174.990 0.053 0.000 0.793 289 C CA -0.649 58.392 59.018 0.038 0.000 1.129 289 C CB -1.317 26.457 27.740 0.056 0.000 1.382 289 C HN 0.613 nan 8.230 nan 0.000 0.578 290 K N 0.908 121.312 120.400 0.005 0.000 2.288 290 K HA -0.099 4.219 4.320 -0.003 0.000 0.201 290 K C 1.429 178.027 176.600 -0.002 0.000 1.048 290 K CA 2.122 58.387 56.287 -0.037 0.000 0.956 290 K CB 0.106 32.475 32.500 -0.219 0.000 0.746 290 K HN 0.720 nan 8.250 nan 0.000 0.461 291 D N 1.509 121.916 120.400 0.010 0.000 2.117 291 D HA -0.155 4.483 4.640 -0.003 0.000 0.198 291 D C 2.028 178.392 176.300 0.106 0.000 0.982 291 D CA 1.009 55.030 54.000 0.035 0.000 0.828 291 D CB -0.705 40.103 40.800 0.013 0.000 0.967 291 D HN 0.119 nan 8.370 nan 0.000 0.464 292 V N 0.572 120.567 119.914 0.134 0.000 2.380 292 V HA -0.265 3.853 4.120 -0.003 0.000 0.251 292 V C 2.605 178.854 176.094 0.259 0.000 1.063 292 V CA 1.422 63.839 62.300 0.195 0.000 1.055 292 V CB -0.511 31.440 31.823 0.214 0.000 0.657 292 V HN 0.122 nan 8.190 nan 0.000 0.455 293 L N -0.631 120.763 121.223 0.285 0.000 2.156 293 L HA -0.079 4.259 4.340 -0.003 0.000 0.208 293 L C 2.361 179.343 176.870 0.188 0.000 1.095 293 L CA 1.321 56.346 54.840 0.309 0.000 0.770 293 L CB -1.091 41.132 42.059 0.273 0.000 0.914 293 L HN 0.165 nan 8.230 nan 0.000 0.439 294 V N -0.420 119.604 119.914 0.183 0.000 2.282 294 V HA -0.375 3.743 4.120 -0.003 0.000 0.249 294 V C 2.685 178.746 176.094 -0.054 0.000 1.057 294 V CA 1.990 64.354 62.300 0.107 0.000 1.032 294 V CB -0.781 31.136 31.823 0.156 0.000 0.645 294 V HN 0.389 nan 8.190 nan 0.000 0.447 295 R N 0.861 121.259 120.500 -0.171 0.000 2.265 295 R HA -0.263 4.075 4.340 -0.003 0.000 0.256 295 R C 1.653 177.734 176.300 -0.366 0.000 1.120 295 R CA 2.747 58.625 56.100 -0.369 0.000 0.956 295 R CB -0.447 29.456 30.300 -0.663 0.000 0.925 295 R HN 0.927 nan 8.270 nan 0.000 0.448 296 H N -2.487 116.585 119.070 0.004 0.000 2.575 296 H HA 0.233 4.786 4.556 -0.005 0.000 0.256 296 H C 0.854 176.090 175.328 -0.153 0.000 1.162 296 H CA -0.174 55.841 56.048 -0.055 0.000 0.969 296 H CB -0.382 29.354 29.762 -0.043 0.000 1.796 296 H HN 0.167 nan 8.280 nan 0.000 0.607 297 L N 1.271 122.441 121.223 -0.090 0.000 2.156 297 L HA 0.093 4.431 4.340 -0.003 0.000 0.208 297 L C -0.838 175.759 176.870 -0.456 0.000 1.095 297 L CA 0.708 55.365 54.840 -0.305 0.000 0.770 297 L CB -0.190 41.633 42.059 -0.393 0.000 0.914 297 L HN 0.212 nan 8.230 nan 0.000 0.439 298 P HA -0.122 nan 4.420 nan 0.000 0.233 298 P C 1.076 178.311 177.300 -0.109 0.000 1.167 298 P CA 1.081 64.065 63.100 -0.194 0.000 0.770 298 P CB 0.058 31.803 31.700 0.075 0.000 0.837 299 K N -0.420 119.912 120.400 -0.113 0.000 2.166 299 K HA 0.033 4.351 4.320 -0.003 0.000 0.201 299 K C 1.789 178.294 176.600 -0.159 0.000 1.052 299 K CA 0.359 56.591 56.287 -0.092 0.000 0.969 299 K CB -0.342 32.135 32.500 -0.040 0.000 0.761 299 K HN 0.030 nan 8.250 nan 0.000 0.459 300 L N 1.316 122.390 121.223 -0.249 0.000 2.044 300 L HA -0.106 4.232 4.340 -0.003 0.000 0.205 300 L C 1.985 178.661 176.870 -0.324 0.000 1.075 300 L CA 1.362 55.973 54.840 -0.381 0.000 0.747 300 L CB -0.565 41.119 42.059 -0.626 0.000 0.903 300 L HN 0.106 nan 8.230 nan 0.000 0.435 301 I N 1.141 121.537 120.570 -0.290 0.000 2.113 301 I HA -0.240 3.928 4.170 -0.003 0.000 0.242 301 I C -0.487 175.531 176.117 -0.165 0.000 1.064 301 I CA 2.047 63.212 61.300 -0.225 0.000 1.320 301 I CB -1.721 36.168 38.000 -0.186 0.000 1.028 301 I HN 0.234 nan 8.210 nan 0.000 0.406 302 P HA -0.112 nan 4.420 nan 0.000 0.215 302 P C 2.131 179.364 177.300 -0.111 0.000 1.157 302 P CA 1.228 64.265 63.100 -0.104 0.000 0.868 302 P CB -0.014 31.637 31.700 -0.082 0.000 0.788 303 V N -0.296 119.544 119.914 -0.123 0.000 2.219 303 V HA -0.265 3.853 4.120 -0.003 0.000 0.248 303 V C 2.451 178.473 176.094 -0.120 0.000 1.053 303 V CA 1.901 64.132 62.300 -0.114 0.000 1.009 303 V CB -1.435 30.314 31.823 -0.123 0.000 0.636 303 V HN 0.029 nan 8.190 nan 0.000 0.445 304 L N -0.238 120.888 121.223 -0.161 0.000 2.089 304 L HA -0.198 4.140 4.340 -0.003 0.000 0.213 304 L C 2.293 179.086 176.870 -0.128 0.000 1.079 304 L CA 1.845 56.592 54.840 -0.156 0.000 0.758 304 L CB -0.477 41.453 42.059 -0.215 0.000 0.891 304 L HN 0.183 nan 8.230 nan 0.000 0.433 305 V N -0.683 119.156 119.914 -0.124 0.000 2.427 305 V HA -0.249 3.869 4.120 -0.003 0.000 0.248 305 V C 2.241 178.271 176.094 -0.106 0.000 1.051 305 V CA 1.701 63.933 62.300 -0.112 0.000 1.048 305 V CB -0.894 30.866 31.823 -0.105 0.000 0.666 305 V HN 0.582 nan 8.190 nan 0.000 0.456 306 N N 1.167 119.809 118.700 -0.098 0.000 2.364 306 N HA -0.095 4.643 4.740 -0.003 0.000 0.183 306 N C 1.803 177.259 175.510 -0.089 0.000 1.022 306 N CA 1.358 54.357 53.050 -0.086 0.000 0.883 306 N CB -0.347 38.096 38.487 -0.074 0.000 0.965 306 N HN 0.394 nan 8.380 nan 0.000 0.438 307 G N 0.037 108.779 108.800 -0.097 0.000 2.422 307 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.218 307 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.218 307 G C 1.379 176.193 174.900 -0.143 0.000 1.146 307 G CA 0.904 45.942 45.100 -0.103 0.000 0.769 307 G HN 0.257 nan 8.290 nan 0.000 0.547 308 M N 0.480 119.985 119.600 -0.159 0.000 2.080 308 M HA 0.078 4.556 4.480 -0.003 0.000 0.260 308 M C 1.412 177.568 176.300 -0.239 0.000 1.068 308 M CA 0.575 55.747 55.300 -0.213 0.000 1.109 308 M CB -0.382 32.111 32.600 -0.180 0.000 1.342 308 M HN -0.078 nan 8.290 nan 0.000 0.405 309 K N 1.372 121.681 120.400 -0.151 0.000 2.441 309 K HA -0.150 4.168 4.320 -0.003 0.000 0.273 309 K C -1.185 175.370 176.600 -0.076 0.000 1.090 309 K CA 0.377 56.607 56.287 -0.095 0.000 1.158 309 K CB -0.222 32.242 32.500 -0.061 0.000 0.847 309 K HN 0.131 nan 8.250 nan 0.000 0.483 310 Y N 2.389 122.657 120.300 -0.053 0.000 2.804 310 Y HA -0.146 4.402 4.550 -0.004 0.000 0.338 310 Y C 1.263 177.138 175.900 -0.041 0.000 1.252 310 Y CA 0.970 59.046 58.100 -0.041 0.000 1.576 310 Y CB 0.250 38.700 38.460 -0.016 0.000 1.223 310 Y HN 0.477 nan 8.280 nan 0.000 0.536 311 S N 2.684 118.462 115.700 0.130 0.000 2.563 311 S HA -0.131 4.337 4.470 -0.003 0.000 0.294 311 S C 1.328 175.979 174.600 0.084 0.000 1.279 311 S CA -0.374 57.869 58.200 0.073 0.000 1.069 311 S CB 0.207 63.437 63.200 0.050 0.000 0.828 311 S HN 0.815 nan 8.310 nan 0.000 0.497 312 D N 2.914 123.338 120.400 0.041 0.000 2.357 312 D HA -0.114 4.524 4.640 -0.003 0.000 0.216 312 D C 1.299 177.625 176.300 0.043 0.000 0.973 312 D CA 1.142 55.161 54.000 0.031 0.000 0.912 312 D CB -0.009 40.796 40.800 0.009 0.000 0.900 312 D HN 0.594 nan 8.370 nan 0.000 0.501 313 I N -0.332 120.265 120.570 0.045 0.000 3.860 313 I HA 0.044 4.212 4.170 -0.003 0.000 0.319 313 I C 0.888 177.033 176.117 0.045 0.000 1.279 313 I CA 0.377 61.701 61.300 0.040 0.000 1.220 313 I CB -0.483 37.536 38.000 0.031 0.000 1.027 313 I HN -0.061 nan 8.210 nan 0.000 0.428 314 D N 1.768 122.207 120.400 0.066 0.000 2.305 314 D HA 0.015 4.653 4.640 -0.003 0.000 0.206 314 D C 2.092 178.390 176.300 -0.004 0.000 0.974 314 D CA 0.627 54.667 54.000 0.068 0.000 0.871 314 D CB 0.121 41.035 40.800 0.191 0.000 0.947 314 D HN 0.505 nan 8.370 nan 0.000 0.516 315 I N -1.818 118.744 120.570 -0.012 0.000 3.387 315 I HA -0.080 4.088 4.170 -0.003 0.000 0.298 315 I C 0.898 177.011 176.117 -0.008 0.000 1.311 315 I CA 0.561 61.845 61.300 -0.026 0.000 1.318 315 I CB -0.099 37.942 38.000 0.069 0.000 1.023 315 I HN -0.176 nan 8.210 nan 0.000 0.540 316 I N -0.121 120.448 120.570 -0.002 0.000 3.565 316 I HA 0.051 4.219 4.170 -0.003 0.000 0.287 316 I C 2.010 178.126 176.117 -0.002 0.000 1.193 316 I CA 0.492 61.793 61.300 0.002 0.000 1.402 316 I CB -0.735 37.273 38.000 0.013 0.000 1.284 316 I HN 0.355 nan 8.210 nan 0.000 0.454 317 L N 1.294 122.520 121.223 0.004 0.000 1.994 317 L HA -0.091 4.247 4.340 -0.003 0.000 0.208 317 L C 2.065 178.933 176.870 -0.003 0.000 1.071 317 L CA 2.188 57.033 54.840 0.008 0.000 0.745 317 L CB -0.440 41.632 42.059 0.022 0.000 0.892 317 L HN 0.124 nan 8.230 nan 0.000 0.431 318 L N -1.502 119.709 121.223 -0.021 0.000 2.408 318 L HA 0.158 4.496 4.340 -0.003 0.000 0.215 318 L C 1.330 178.171 176.870 -0.048 0.000 1.081 318 L CA 0.107 54.927 54.840 -0.034 0.000 0.840 318 L CB -0.011 42.018 42.059 -0.050 0.000 1.002 318 L HN 0.198 nan 8.230 nan 0.000 0.468 372 D N -0.634 119.823 120.400 0.095 0.000 3.106 372 D HA 0.287 4.925 4.640 -0.003 0.000 0.216 372 D C -0.900 175.567 176.300 0.279 0.000 1.540 372 D CA 0.212 54.304 54.000 0.152 0.000 1.389 372 D CB 0.716 41.595 40.800 0.132 0.000 1.080 372 D HN 0.350 nan 8.370 nan 0.000 0.270 373 W N 2.577 123.869 121.300 -0.012 0.000 3.028 373 W HA 0.261 4.920 4.660 -0.002 0.000 0.315 373 W C -1.544 174.966 176.519 -0.014 0.000 1.062 373 W CA -0.534 56.801 57.345 -0.017 0.000 1.226 373 W CB 0.468 29.919 29.460 -0.014 0.000 1.100 373 W HN 0.171 nan 8.180 nan 0.000 0.364 374 N N 2.872 121.483 118.700 -0.149 0.000 2.592 374 N HA 0.245 4.983 4.740 -0.003 0.000 0.292 374 N C 0.574 175.946 175.510 -0.229 0.000 1.260 374 N CA -0.617 52.364 53.050 -0.116 0.000 0.910 374 N CB 0.740 39.180 38.487 -0.078 0.000 1.257 374 N HN 0.355 nan 8.380 nan 0.000 0.569 375 L N 0.653 121.799 121.223 -0.129 0.000 1.990 375 L HA -0.158 4.180 4.340 -0.003 0.000 0.213 375 L C 2.852 179.599 176.870 -0.204 0.000 1.072 375 L CA 1.927 56.692 54.840 -0.125 0.000 0.755 375 L CB -0.547 41.472 42.059 -0.066 0.000 0.889 375 L HN 0.786 nan 8.230 nan 0.000 0.432 376 R N -0.138 120.231 120.500 -0.218 0.000 2.112 376 R HA -0.288 4.050 4.340 -0.003 0.000 0.242 376 R C 2.456 178.544 176.300 -0.353 0.000 1.137 376 R CA 2.439 58.374 56.100 -0.274 0.000 0.944 376 R CB -0.488 29.622 30.300 -0.316 0.000 0.857 376 R HN 0.384 nan 8.270 nan 0.000 0.435 377 K N -0.232 119.904 120.400 -0.441 0.000 2.280 377 K HA -0.149 4.169 4.320 -0.003 0.000 0.202 377 K C 2.158 178.251 176.600 -0.845 0.000 1.047 377 K CA 1.318 57.243 56.287 -0.603 0.000 0.942 377 K CB -0.186 31.935 32.500 -0.632 0.000 0.739 377 K HN 0.364 nan 8.250 nan 0.000 0.457 378 c N -0.410 117.725 118.600 -0.776 0.000 2.544 378 c HA 0.038 4.606 4.570 -0.003 0.000 0.280 378 c C 2.539 176.485 174.090 -0.240 0.000 1.295 378 c CA 0.925 56.919 56.329 -0.559 0.000 1.702 378 c CB -0.774 41.552 42.510 -0.306 0.000 2.090 378 c HN 0.478 nan 8.230 nan 0.000 0.493 379 S N 1.536 117.121 115.700 -0.191 0.000 2.368 379 S HA -0.207 4.261 4.470 -0.003 0.000 0.226 379 S C 2.202 176.724 174.600 -0.130 0.000 1.044 379 S CA 1.943 60.071 58.200 -0.120 0.000 1.062 379 S CB -0.895 62.227 63.200 -0.130 0.000 0.931 379 S HN 0.876 nan 8.310 nan 0.000 0.440 380 A N 1.538 124.250 122.820 -0.181 0.000 1.908 380 A HA 0.039 4.357 4.320 -0.003 0.000 0.218 380 A C 2.373 179.889 177.584 -0.114 0.000 1.181 380 A CA 1.907 53.851 52.037 -0.155 0.000 0.627 380 A CB -1.140 17.735 19.000 -0.208 0.000 0.818 380 A HN 0.571 nan 8.150 nan 0.000 0.445 381 A N -0.561 122.173 122.820 -0.142 0.000 2.015 381 A HA 0.240 4.558 4.320 -0.003 0.000 0.219 381 A C 2.390 179.977 177.584 0.004 0.000 1.163 381 A CA 1.845 53.845 52.037 -0.061 0.000 0.646 381 A CB -0.717 18.244 19.000 -0.067 0.000 0.806 381 A HN 0.994 nan 8.150 nan 0.000 0.448 382 A N -0.762 122.056 122.820 -0.003 0.000 1.930 382 A HA 0.140 4.458 4.320 -0.003 0.000 0.215 382 A C 2.039 179.619 177.584 -0.007 0.000 1.176 382 A CA 1.337 53.393 52.037 0.032 0.000 0.632 382 A CB -0.477 18.566 19.000 0.072 0.000 0.819 382 A HN 0.525 nan 8.150 nan 0.000 0.445 383 L N 0.388 121.586 121.223 -0.041 0.000 2.046 383 L HA -0.161 4.177 4.340 -0.003 0.000 0.208 383 L C 1.965 178.819 176.870 -0.026 0.000 1.077 383 L CA 2.589 57.394 54.840 -0.058 0.000 0.747 383 L CB -0.568 41.449 42.059 -0.069 0.000 0.896 383 L HN 0.491 nan 8.230 nan 0.000 0.432 384 D N -0.971 119.428 120.400 -0.003 0.000 2.127 384 D HA -0.216 4.422 4.640 -0.003 0.000 0.190 384 D C 2.079 178.394 176.300 0.025 0.000 1.000 384 D CA 2.076 56.089 54.000 0.021 0.000 0.839 384 D CB -0.113 40.711 40.800 0.040 0.000 0.955 384 D HN 0.198 nan 8.370 nan 0.000 0.446 385 V N 0.342 120.274 119.914 0.030 0.000 2.490 385 V HA -0.198 3.920 4.120 -0.003 0.000 0.250 385 V C 2.630 178.754 176.094 0.049 0.000 1.061 385 V CA 1.180 63.505 62.300 0.043 0.000 1.064 385 V CB -0.549 31.304 31.823 0.049 0.000 0.670 385 V HN 0.295 nan 8.190 nan 0.000 0.461 386 L N 0.135 121.367 121.223 0.014 0.000 2.141 386 L HA -0.071 4.267 4.340 -0.003 0.000 0.209 386 L C 2.646 179.533 176.870 0.028 0.000 1.094 386 L CA 1.245 56.073 54.840 -0.020 0.000 0.763 386 L CB -0.590 41.384 42.059 -0.142 0.000 0.908 386 L HN 0.348 nan 8.230 nan 0.000 0.437 387 A N 0.130 122.966 122.820 0.027 0.000 2.015 387 A HA -0.185 4.133 4.320 -0.003 0.000 0.219 387 A C 1.909 179.546 177.584 0.087 0.000 1.163 387 A CA 1.873 53.941 52.037 0.051 0.000 0.646 387 A CB -0.496 18.519 19.000 0.024 0.000 0.806 387 A HN 0.455 nan 8.150 nan 0.000 0.448 388 N N -0.231 118.519 118.700 0.084 0.000 2.250 388 N HA -0.036 4.702 4.740 -0.003 0.000 0.181 388 N C 1.401 176.968 175.510 0.096 0.000 1.017 388 N CA 1.353 54.447 53.050 0.075 0.000 0.866 388 N CB -0.276 38.243 38.487 0.054 0.000 0.985 388 N HN 0.240 nan 8.380 nan 0.000 0.429 389 V N -0.353 119.657 119.914 0.161 0.000 2.427 389 V HA -0.159 3.959 4.120 -0.003 0.000 0.248 389 V C 1.142 177.280 176.094 0.073 0.000 1.051 389 V CA 1.446 63.835 62.300 0.149 0.000 1.048 389 V CB -0.601 31.390 31.823 0.279 0.000 0.666 389 V HN 0.299 nan 8.190 nan 0.000 0.456 390 Y N -0.594 119.715 120.300 0.015 0.000 2.481 390 Y HA 0.283 4.832 4.550 -0.002 0.000 0.258 390 Y C 1.521 177.434 175.900 0.021 0.000 1.103 390 Y CA -0.693 57.419 58.100 0.021 0.000 1.287 390 Y CB 0.183 38.658 38.460 0.024 0.000 1.108 390 Y HN 0.135 nan 8.280 nan 0.000 0.529 391 R N -0.193 120.395 120.500 0.147 0.000 3.952 391 R HA -0.254 4.084 4.340 -0.003 0.000 0.406 391 R C 0.513 176.866 176.300 0.089 0.000 0.241 391 R CA 1.369 57.520 56.100 0.086 0.000 1.300 391 R CB -1.701 28.628 30.300 0.049 0.000 1.045 391 R HN 0.248 nan 8.270 nan 0.000 0.542 392 D N 1.993 122.432 120.400 0.064 0.000 2.348 392 D HA -0.053 4.585 4.640 -0.003 0.000 0.216 392 D C 1.277 177.617 176.300 0.066 0.000 0.970 392 D CA 0.573 54.606 54.000 0.056 0.000 0.889 392 D CB -0.018 40.808 40.800 0.042 0.000 0.912 392 D HN 0.298 nan 8.370 nan 0.000 0.524 393 E N 0.568 120.825 120.200 0.094 0.000 2.338 393 E HA -0.093 4.255 4.350 -0.003 0.000 0.197 393 E C 2.030 178.735 176.600 0.176 0.000 1.007 393 E CA 0.030 56.501 56.400 0.118 0.000 0.849 393 E CB -0.028 29.753 29.700 0.135 0.000 0.774 393 E HN 0.278 nan 8.360 nan 0.000 0.506 394 L N 0.321 121.649 121.223 0.175 0.000 2.156 394 L HA -0.061 4.277 4.340 -0.003 0.000 0.208 394 L C 2.146 179.091 176.870 0.126 0.000 1.095 394 L CA 0.843 55.779 54.840 0.160 0.000 0.770 394 L CB -0.274 41.833 42.059 0.079 0.000 0.914 394 L HN 0.063 nan 8.230 nan 0.000 0.439 395 L N -0.281 120.972 121.223 0.050 0.000 2.013 395 L HA -0.222 4.116 4.340 -0.003 0.000 0.212 395 L C -0.185 176.649 176.870 -0.059 0.000 1.073 395 L CA 1.479 56.313 54.840 -0.010 0.000 0.753 395 L CB -2.102 39.948 42.059 -0.016 0.000 0.890 395 L HN 0.218 nan 8.230 nan 0.000 0.432 396 P HA -0.224 nan 4.420 nan 0.000 0.220 396 P C 0.910 178.027 177.300 -0.306 0.000 1.155 396 P CA 1.839 64.780 63.100 -0.265 0.000 0.880 396 P CB -0.203 31.233 31.700 -0.440 0.000 0.790 397 H N -3.056 115.989 119.070 -0.042 0.000 2.539 397 H HA 0.201 4.754 4.556 -0.005 0.000 0.267 397 H C 1.765 177.048 175.328 -0.075 0.000 0.982 397 H CA 0.369 56.382 56.048 -0.058 0.000 1.146 397 H CB -0.385 29.335 29.762 -0.069 0.000 1.382 397 H HN 0.195 nan 8.280 nan 0.000 0.577 398 I N -0.497 120.076 120.570 0.004 0.000 3.194 398 I HA -0.063 4.105 4.170 -0.003 0.000 0.271 398 I C 1.440 177.505 176.117 -0.086 0.000 1.150 398 I CA 0.247 61.522 61.300 -0.042 0.000 1.440 398 I CB 0.169 38.141 38.000 -0.047 0.000 1.276 398 I HN 0.105 nan 8.210 nan 0.000 0.457 399 L N 1.432 122.587 121.223 -0.114 0.000 2.013 399 L HA -0.175 4.163 4.340 -0.003 0.000 0.212 399 L C -0.431 176.377 176.870 -0.104 0.000 1.073 399 L CA 1.871 56.616 54.840 -0.159 0.000 0.753 399 L CB -2.355 39.596 42.059 -0.181 0.000 0.890 399 L HN 0.190 nan 8.230 nan 0.000 0.432 400 P HA -0.168 nan 4.420 nan 0.000 0.215 400 P C 1.774 179.041 177.300 -0.054 0.000 1.153 400 P CA 1.235 64.306 63.100 -0.048 0.000 0.853 400 P CB 0.028 31.704 31.700 -0.040 0.000 0.788 401 L N -1.504 119.681 121.223 -0.065 0.000 1.994 401 L HA -0.134 4.204 4.340 -0.003 0.000 0.208 401 L C 2.579 179.392 176.870 -0.095 0.000 1.071 401 L CA 1.612 56.406 54.840 -0.078 0.000 0.745 401 L CB -1.868 40.145 42.059 -0.077 0.000 0.892 401 L HN -0.099 nan 8.230 nan 0.000 0.431 402 L N -0.519 120.641 121.223 -0.105 0.000 1.991 402 L HA -0.373 3.965 4.340 -0.003 0.000 0.221 402 L C 2.650 179.450 176.870 -0.117 0.000 1.079 402 L CA 1.722 56.483 54.840 -0.130 0.000 0.778 402 L CB -0.648 41.320 42.059 -0.152 0.000 0.893 402 L HN 0.280 nan 8.230 nan 0.000 0.437 403 K N -0.440 119.932 120.400 -0.047 0.000 2.077 403 K HA -0.278 4.040 4.320 -0.003 0.000 0.213 403 K C 1.980 178.648 176.600 0.113 0.000 1.051 403 K CA 2.062 58.399 56.287 0.085 0.000 0.929 403 K CB -0.302 32.237 32.500 0.064 0.000 0.715 403 K HN 0.446 nan 8.250 nan 0.000 0.451 404 E N 0.480 120.671 120.200 -0.015 0.000 2.110 404 E HA -0.152 4.196 4.350 -0.003 0.000 0.193 404 E C 1.278 177.782 176.600 -0.159 0.000 0.988 404 E CA 0.789 57.141 56.400 -0.081 0.000 0.804 404 E CB -0.030 29.583 29.700 -0.144 0.000 0.745 404 E HN 0.091 nan 8.360 nan 0.000 0.458 405 L N -0.573 120.542 121.223 -0.181 0.000 2.718 405 L HA 0.001 4.339 4.340 -0.003 0.000 0.152 405 L C 1.697 178.377 176.870 -0.317 0.000 1.375 405 L CA 0.520 55.240 54.840 -0.200 0.000 2.008 405 L CB -0.473 41.482 42.059 -0.173 0.000 2.549 405 L HN 0.115 nan 8.230 nan 0.000 0.557 406 L N -3.133 117.862 121.223 -0.381 0.000 5.394 406 L HA -0.377 3.961 4.340 -0.003 0.000 0.428 406 L C 1.165 177.579 176.870 -0.759 0.000 0.929 406 L CA 1.505 55.929 54.840 -0.694 0.000 1.462 406 L CB -1.284 40.068 42.059 -1.178 0.000 1.520 406 L HN 0.509 nan 8.230 nan 0.000 0.636 407 F N -3.383 116.604 119.950 0.062 0.000 2.815 407 F HA 0.325 4.849 4.527 -0.006 0.000 0.328 407 F C 1.367 177.229 175.800 0.102 0.000 0.982 407 F CA -0.685 57.351 58.000 0.061 0.000 1.154 407 F CB -0.236 38.752 39.000 -0.019 0.000 0.980 407 F HN -0.104 nan 8.300 nan 0.000 0.603 408 H N 1.578 120.707 119.070 0.098 0.000 3.152 408 H HA -0.075 4.478 4.556 -0.005 0.000 0.319 408 H C 1.456 176.818 175.328 0.057 0.000 0.994 408 H CA 0.819 56.874 56.048 0.012 0.000 1.370 408 H CB 0.113 29.863 29.762 -0.020 0.000 1.322 408 H HN 0.293 nan 8.280 nan 0.000 0.590 409 H N 1.381 120.358 119.070 -0.155 0.000 2.505 409 H HA -0.146 4.408 4.556 -0.003 0.000 0.295 409 H C 0.224 175.517 175.328 -0.059 0.000 1.121 409 H CA 1.030 57.020 56.048 -0.097 0.000 1.217 409 H CB 0.339 29.995 29.762 -0.176 0.000 1.357 409 H HN 0.589 nan 8.280 nan 0.000 0.533 410 E N 1.618 121.811 120.200 -0.011 0.000 2.229 410 E HA -0.066 4.282 4.350 -0.003 0.000 0.283 410 E C 0.221 176.777 176.600 -0.073 0.000 1.030 410 E CA -0.390 55.887 56.400 -0.204 0.000 0.836 410 E CB 0.288 29.858 29.700 -0.217 0.000 1.068 410 E HN 0.532 nan 8.360 nan 0.000 0.401 411 W N 3.036 124.373 121.300 0.061 0.000 3.422 411 W HA 0.169 4.829 4.660 0.001 0.000 0.337 411 W C -0.186 176.365 176.519 0.053 0.000 1.234 411 W CA -0.354 57.021 57.345 0.050 0.000 1.686 411 W CB -1.150 28.324 29.460 0.023 0.000 0.964 411 W HN 0.174 nan 8.180 nan 0.000 0.776 412 V N -0.872 119.025 119.914 -0.029 0.000 3.837 412 V HA -0.099 4.019 4.120 -0.003 0.000 0.182 412 V C 1.833 177.945 176.094 0.029 0.000 1.356 412 V CA 0.128 62.422 62.300 -0.010 0.000 1.260 412 V CB -0.294 31.410 31.823 -0.199 0.000 1.287 412 V HN -0.078 nan 8.190 nan 0.000 0.572 413 V N 1.225 121.130 119.914 -0.014 0.000 2.343 413 V HA -0.234 3.884 4.120 -0.003 0.000 0.247 413 V C 2.490 178.592 176.094 0.014 0.000 1.051 413 V CA 2.739 65.046 62.300 0.012 0.000 1.036 413 V CB -0.540 31.323 31.823 0.066 0.000 0.654 413 V HN 0.588 nan 8.190 nan 0.000 0.451 414 K N 0.132 120.559 120.400 0.046 0.000 2.020 414 K HA -0.287 4.031 4.320 -0.003 0.000 0.212 414 K C 2.299 178.911 176.600 0.021 0.000 1.050 414 K CA 2.067 58.369 56.287 0.024 0.000 0.929 414 K CB -0.359 32.191 32.500 0.083 0.000 0.714 414 K HN 0.424 nan 8.250 nan 0.000 0.443 415 E N 0.859 121.104 120.200 0.075 0.000 2.086 415 E HA -0.204 4.144 4.350 -0.003 0.000 0.200 415 E C 1.844 178.475 176.600 0.052 0.000 1.012 415 E CA 2.044 58.505 56.400 0.101 0.000 0.812 415 E CB -0.223 29.591 29.700 0.190 0.000 0.743 415 E HN 0.343 nan 8.360 nan 0.000 0.453 416 S N -0.059 115.650 115.700 0.016 0.000 2.359 416 S HA -0.128 4.340 4.470 -0.003 0.000 0.224 416 S C 2.032 176.600 174.600 -0.052 0.000 1.035 416 S CA 1.175 59.348 58.200 -0.045 0.000 1.018 416 S CB -0.810 62.351 63.200 -0.065 0.000 0.876 416 S HN 0.545 nan 8.310 nan 0.000 0.448 417 G N 1.998 110.759 108.800 -0.064 0.000 2.469 417 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.219 417 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.219 417 G C 1.333 176.197 174.900 -0.060 0.000 1.150 417 G CA 1.013 46.057 45.100 -0.094 0.000 0.763 417 G HN 0.513 nan 8.290 nan 0.000 0.561 418 I N 0.035 120.590 120.570 -0.024 0.000 2.163 418 I HA -0.150 4.018 4.170 -0.003 0.000 0.243 418 I C 2.571 178.740 176.117 0.087 0.000 1.085 418 I CA 0.697 62.015 61.300 0.031 0.000 1.347 418 I CB -0.306 37.732 38.000 0.062 0.000 1.044 418 I HN 0.170 nan 8.210 nan 0.000 0.408 419 L N 0.499 121.759 121.223 0.062 0.000 2.083 419 L HA -0.147 4.191 4.340 -0.003 0.000 0.209 419 L C 2.359 179.275 176.870 0.076 0.000 1.083 419 L CA 1.695 56.576 54.840 0.069 0.000 0.752 419 L CB -0.400 41.627 42.059 -0.053 0.000 0.899 419 L HN -0.016 nan 8.230 nan 0.000 0.433 420 V N -0.615 119.309 119.914 0.017 0.000 2.307 420 V HA -0.300 3.818 4.120 -0.003 0.000 0.245 420 V C 2.552 178.675 176.094 0.048 0.000 1.045 420 V CA 1.859 64.162 62.300 0.004 0.000 1.024 420 V CB -0.559 31.237 31.823 -0.045 0.000 0.651 420 V HN 0.466 nan 8.190 nan 0.000 0.449 421 L N 0.386 121.641 121.223 0.053 0.000 2.081 421 L HA -0.189 4.149 4.340 -0.003 0.000 0.212 421 L C 2.303 179.296 176.870 0.204 0.000 1.080 421 L CA 1.929 56.823 54.840 0.090 0.000 0.754 421 L CB -0.664 41.423 42.059 0.047 0.000 0.893 421 L HN 0.491 nan 8.230 nan 0.000 0.433 422 G N -1.928 107.013 108.800 0.235 0.000 2.511 422 G HA2 -0.061 3.897 3.960 -0.003 0.000 0.217 422 G HA3 -0.061 3.897 3.960 -0.003 0.000 0.217 422 G C 1.502 176.540 174.900 0.230 0.000 1.133 422 G CA 0.543 45.777 45.100 0.224 0.000 0.792 422 G HN 0.509 nan 8.290 nan 0.000 0.539 423 A N 0.819 123.762 122.820 0.206 0.000 2.072 423 A HA 0.250 4.568 4.320 -0.003 0.000 0.216 423 A C 2.005 179.622 177.584 0.056 0.000 1.156 423 A CA 1.124 53.242 52.037 0.135 0.000 0.701 423 A CB -0.116 18.923 19.000 0.065 0.000 0.816 423 A HN 0.536 nan 8.150 nan 0.000 0.458 424 I N -3.210 117.384 120.570 0.039 0.000 3.956 424 I HA 0.433 4.601 4.170 -0.003 0.000 0.333 424 I C 1.911 178.025 176.117 -0.005 0.000 1.302 424 I CA 0.331 61.640 61.300 0.016 0.000 1.122 424 I CB -0.521 37.486 38.000 0.012 0.000 1.013 424 I HN 0.045 nan 8.210 nan 0.000 0.405 425 A N 1.758 124.536 122.820 -0.069 0.000 1.927 425 A HA -0.268 4.050 4.320 -0.003 0.000 0.220 425 A C 2.391 179.804 177.584 -0.285 0.000 1.185 425 A CA 2.515 54.347 52.037 -0.342 0.000 0.639 425 A CB -0.529 17.993 19.000 -0.798 0.000 0.820 425 A HN 0.646 nan 8.150 nan 0.000 0.451 426 E N -0.976 119.122 120.200 -0.171 0.000 2.290 426 E HA 0.055 4.403 4.350 -0.003 0.000 0.197 426 E C 1.975 178.554 176.600 -0.036 0.000 0.948 426 E CA 1.021 57.355 56.400 -0.109 0.000 0.895 426 E CB -0.526 29.114 29.700 -0.100 0.000 0.865 426 E HN 0.385 nan 8.360 nan 0.000 0.486 427 G N 0.445 109.237 108.800 -0.014 0.000 2.453 427 G HA2 -0.117 3.841 3.960 -0.003 0.000 0.215 427 G HA3 -0.117 3.841 3.960 -0.003 0.000 0.215 427 G C 1.255 176.171 174.900 0.027 0.000 1.147 427 G CA 0.686 45.796 45.100 0.016 0.000 0.802 427 G HN 0.352 nan 8.290 nan 0.000 0.535 428 C N 0.820 120.132 119.300 0.021 0.000 2.668 428 C HA 0.361 4.819 4.460 -0.003 0.000 0.301 428 C C 2.132 177.142 174.990 0.034 0.000 1.351 428 C CA -0.593 58.443 59.018 0.031 0.000 1.757 428 C CB -0.641 27.115 27.740 0.026 0.000 2.179 428 C HN 0.445 nan 8.230 nan 0.000 0.586 429 M N 1.599 121.213 119.600 0.023 0.000 2.082 429 M HA -0.203 4.275 4.480 -0.003 0.000 0.258 429 M C 2.075 178.399 176.300 0.040 0.000 1.069 429 M CA 2.138 57.458 55.300 0.032 0.000 1.102 429 M CB -0.508 32.100 32.600 0.012 0.000 1.336 429 M HN 0.321 nan 8.290 nan 0.000 0.404 430 Q N -0.642 119.177 119.800 0.031 0.000 2.016 430 Q HA 0.074 4.412 4.340 -0.003 0.000 0.200 430 Q C 2.039 178.051 176.000 0.019 0.000 0.978 430 Q CA 2.033 57.851 55.803 0.024 0.000 0.833 430 Q CB -1.034 27.719 28.738 0.026 0.000 0.895 430 Q HN 0.690 nan 8.270 nan 0.000 0.427 431 G N -0.473 108.348 108.800 0.035 0.000 2.535 431 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.218 431 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.218 431 G C 1.106 176.063 174.900 0.095 0.000 1.122 431 G CA 0.646 45.781 45.100 0.058 0.000 0.769 431 G HN 0.173 nan 8.290 nan 0.000 0.549 432 M N 0.370 119.999 119.600 0.050 0.000 2.435 432 M HA 0.224 4.703 4.480 -0.003 0.000 0.265 432 M C 2.461 178.706 176.300 -0.092 0.000 1.104 432 M CA 0.068 55.386 55.300 0.030 0.000 1.140 432 M CB -0.583 32.050 32.600 0.056 0.000 1.372 432 M HN 0.106 nan 8.290 nan 0.000 0.456 433 I N 1.063 121.537 120.570 -0.161 0.000 2.113 433 I HA -0.274 3.894 4.170 -0.003 0.000 0.242 433 I C -0.392 175.480 176.117 -0.407 0.000 1.057 433 I CA 2.071 63.136 61.300 -0.393 0.000 1.314 433 I CB -2.864 35.024 38.000 -0.188 0.000 1.022 433 I HN 0.127 nan 8.210 nan 0.000 0.408 434 P HA -0.191 nan 4.420 nan 0.000 0.214 434 P C 1.831 178.952 177.300 -0.298 0.000 1.163 434 P CA 1.775 64.727 63.100 -0.248 0.000 0.889 434 P CB -0.229 31.278 31.700 -0.323 0.000 0.790 435 Y N -0.962 119.201 120.300 -0.229 0.000 2.224 435 Y HA -0.131 4.417 4.550 -0.003 0.000 0.289 435 Y C 2.407 178.136 175.900 -0.286 0.000 1.146 435 Y CA 0.700 58.678 58.100 -0.204 0.000 1.182 435 Y CB -1.513 36.844 38.460 -0.172 0.000 0.983 435 Y HN -0.185 nan 8.280 nan 0.000 0.524 436 L N -0.093 120.918 121.223 -0.352 0.000 2.058 436 L HA -0.300 4.038 4.340 -0.003 0.000 0.226 436 L C -0.537 176.111 176.870 -0.371 0.000 1.089 436 L CA 1.856 56.332 54.840 -0.606 0.000 0.799 436 L CB -1.941 39.285 42.059 -1.388 0.000 0.900 436 L HN 0.194 nan 8.230 nan 0.000 0.442 437 P HA -0.166 nan 4.420 nan 0.000 0.224 437 P C 1.049 178.399 177.300 0.084 0.000 1.142 437 P CA 1.277 64.427 63.100 0.084 0.000 0.778 437 P CB 0.019 31.843 31.700 0.208 0.000 0.764 438 E N -1.062 119.150 120.200 0.021 0.000 2.057 438 E HA -0.030 4.318 4.350 -0.003 0.000 0.190 438 E C 1.757 178.402 176.600 0.075 0.000 0.969 438 E CA 0.831 57.270 56.400 0.065 0.000 0.812 438 E CB -0.467 29.280 29.700 0.078 0.000 0.777 438 E HN 0.182 nan 8.360 nan 0.000 0.455 439 L N 1.174 122.406 121.223 0.015 0.000 2.049 439 L HA -0.121 4.217 4.340 -0.003 0.000 0.203 439 L C 2.349 179.235 176.870 0.027 0.000 1.074 439 L CA 0.782 55.639 54.840 0.028 0.000 0.749 439 L CB -0.621 41.392 42.059 -0.076 0.000 0.907 439 L HN 0.116 nan 8.230 nan 0.000 0.439 440 I N 0.087 120.615 120.570 -0.071 0.000 2.132 440 I HA -0.305 3.864 4.170 -0.003 0.000 0.238 440 I C 0.065 176.222 176.117 0.068 0.000 1.012 440 I CA 2.367 63.638 61.300 -0.050 0.000 1.288 440 I CB -2.555 35.346 38.000 -0.166 0.000 0.997 440 I HN 0.194 nan 8.210 nan 0.000 0.402 441 P HA -0.243 nan 4.420 nan 0.000 0.214 441 P C 1.933 179.339 177.300 0.176 0.000 1.164 441 P CA 1.980 65.196 63.100 0.193 0.000 0.942 441 P CB -0.420 31.403 31.700 0.206 0.000 0.791 442 H N -0.596 118.529 119.070 0.091 0.000 2.321 442 H HA -0.094 4.460 4.556 -0.003 0.000 0.300 442 H C 2.104 177.476 175.328 0.074 0.000 1.087 442 H CA 1.330 57.434 56.048 0.094 0.000 1.319 442 H CB -0.684 29.156 29.762 0.129 0.000 1.379 442 H HN -0.022 nan 8.280 nan 0.000 0.501 443 L N 0.747 121.980 121.223 0.017 0.000 2.051 443 L HA -0.270 4.068 4.340 -0.003 0.000 0.214 443 L C 2.623 179.463 176.870 -0.051 0.000 1.076 443 L CA 1.016 55.823 54.840 -0.055 0.000 0.758 443 L CB -0.274 41.778 42.059 -0.011 0.000 0.890 443 L HN 0.378 nan 8.230 nan 0.000 0.433 444 I N -0.921 119.652 120.570 0.004 0.000 2.252 444 I HA -0.265 3.903 4.170 -0.003 0.000 0.245 444 I C 2.514 178.629 176.117 -0.004 0.000 1.102 444 I CA 1.201 62.515 61.300 0.023 0.000 1.385 444 I CB -1.285 36.755 38.000 0.066 0.000 1.064 444 I HN 0.359 nan 8.210 nan 0.000 0.414 445 Q N 1.325 121.112 119.800 -0.021 0.000 2.135 445 Q HA -0.172 4.166 4.340 -0.003 0.000 0.204 445 Q C 2.367 178.314 176.000 -0.088 0.000 0.981 445 Q CA 1.971 57.754 55.803 -0.034 0.000 0.856 445 Q CB -0.689 28.050 28.738 0.002 0.000 0.902 445 Q HN 0.521 nan 8.270 nan 0.000 0.425 446 C N 0.131 119.317 119.300 -0.191 0.000 2.419 446 C HA -0.050 4.408 4.460 -0.003 0.000 0.283 446 C C 2.197 177.154 174.990 -0.055 0.000 1.373 446 C CA 0.380 59.293 59.018 -0.174 0.000 1.781 446 C CB -1.288 26.308 27.740 -0.240 0.000 1.886 446 C HN 0.531 nan 8.230 nan 0.000 0.520 447 L N 0.607 121.814 121.223 -0.028 0.000 2.633 447 L HA -0.060 4.278 4.340 -0.003 0.000 0.235 447 L C 1.921 178.794 176.870 0.004 0.000 1.163 447 L CA 0.926 55.769 54.840 0.005 0.000 0.859 447 L CB -0.592 41.477 42.059 0.018 0.000 0.973 447 L HN 0.317 nan 8.230 nan 0.000 0.451 448 S N -2.250 113.447 115.700 -0.005 0.000 2.523 448 S HA 0.056 4.524 4.470 -0.003 0.000 0.217 448 S C 0.234 174.835 174.600 0.002 0.000 0.996 448 S CA -0.482 57.718 58.200 -0.001 0.000 0.921 448 S CB 0.023 63.223 63.200 -0.000 0.000 0.829 448 S HN 0.318 nan 8.310 nan 0.000 0.495 449 D N 2.712 123.116 120.400 0.006 0.000 2.520 449 D HA 0.044 4.682 4.640 -0.003 0.000 0.243 449 D C 1.027 177.332 176.300 0.009 0.000 1.160 449 D CA 0.443 54.456 54.000 0.021 0.000 0.877 449 D CB 0.615 41.440 40.800 0.041 0.000 1.150 449 D HN 0.100 nan 8.370 nan 0.000 0.494 450 K N 1.823 122.221 120.400 -0.003 0.000 2.044 450 K HA -0.136 4.182 4.320 -0.003 0.000 0.210 450 K C 0.587 177.148 176.600 -0.066 0.000 1.049 450 K CA 0.905 57.168 56.287 -0.039 0.000 0.927 450 K CB 0.078 32.545 32.500 -0.056 0.000 0.713 450 K HN 0.326 nan 8.250 nan 0.000 0.443 451 K N 0.668 121.023 120.400 -0.074 0.000 2.436 451 K HA -0.008 4.310 4.320 -0.003 0.000 0.275 451 K C 0.928 177.502 176.600 -0.042 0.000 0.999 451 K CA 0.231 56.456 56.287 -0.102 0.000 0.980 451 K CB 1.186 33.641 32.500 -0.075 0.000 0.919 451 K HN 0.114 nan 8.250 nan 0.000 0.484 452 A N 4.395 127.178 122.820 -0.061 0.000 1.845 452 A HA -0.144 4.174 4.320 -0.003 0.000 0.215 452 A C 2.173 179.753 177.584 -0.006 0.000 1.195 452 A CA 1.303 53.319 52.037 -0.035 0.000 0.616 452 A CB -0.562 18.409 19.000 -0.049 0.000 0.832 452 A HN 0.718 nan 8.150 nan 0.000 0.443 453 L N 0.436 121.649 121.223 -0.017 0.000 2.191 453 L HA -0.176 4.162 4.340 -0.003 0.000 0.212 453 L C 2.612 179.523 176.870 0.068 0.000 1.103 453 L CA 1.331 56.172 54.840 0.001 0.000 0.769 453 L CB -0.446 41.552 42.059 -0.103 0.000 0.908 453 L HN 0.489 nan 8.230 nan 0.000 0.438 454 V N -2.669 117.294 119.914 0.081 0.000 2.343 454 V HA -0.269 3.849 4.120 -0.003 0.000 0.247 454 V C 2.286 178.430 176.094 0.084 0.000 1.051 454 V CA 1.420 63.782 62.300 0.104 0.000 1.036 454 V CB -0.938 30.952 31.823 0.111 0.000 0.654 454 V HN 0.385 nan 8.190 nan 0.000 0.451 455 R N 0.691 121.227 120.500 0.060 0.000 2.355 455 R HA -0.049 4.289 4.340 -0.003 0.000 0.219 455 R C 2.339 178.684 176.300 0.077 0.000 1.107 455 R CA 1.245 57.378 56.100 0.055 0.000 1.021 455 R CB -0.354 29.967 30.300 0.035 0.000 0.852 455 R HN 0.672 nan 8.270 nan 0.000 0.475 456 S N 0.578 116.332 115.700 0.090 0.000 2.339 456 S HA 0.003 4.471 4.470 -0.003 0.000 0.213 456 S C 1.957 176.654 174.600 0.162 0.000 1.033 456 S CA 0.612 58.878 58.200 0.110 0.000 0.950 456 S CB 0.048 63.300 63.200 0.088 0.000 0.893 456 S HN 0.188 nan 8.310 nan 0.000 0.492 457 I N 3.038 123.705 120.570 0.162 0.000 2.226 457 I HA -0.145 4.023 4.170 -0.003 0.000 0.245 457 I C 2.706 178.960 176.117 0.228 0.000 1.100 457 I CA 1.824 63.257 61.300 0.221 0.000 1.374 457 I CB -2.828 35.272 38.000 0.168 0.000 1.057 457 I HN 0.393 nan 8.210 nan 0.000 0.413 458 T N 0.650 115.291 114.554 0.146 0.000 2.620 458 T HA -0.350 3.998 4.350 -0.003 0.000 0.267 458 T C 2.220 176.989 174.700 0.116 0.000 1.044 458 T CA 2.059 64.219 62.100 0.100 0.000 1.161 458 T CB -1.557 67.344 68.868 0.054 0.000 0.862 458 T HN 0.606 nan 8.240 nan 0.000 0.438 459 C N 0.261 119.643 119.300 0.137 0.000 2.548 459 C HA -0.016 4.442 4.460 -0.003 0.000 0.284 459 C C 2.486 177.579 174.990 0.172 0.000 1.252 459 C CA 0.956 60.057 59.018 0.139 0.000 1.725 459 C CB -1.887 25.937 27.740 0.139 0.000 2.098 459 C HN 0.760 nan 8.230 nan 0.000 0.471 460 W N 1.902 123.235 121.300 0.054 0.000 2.325 460 W HA -0.128 4.529 4.660 -0.004 0.000 0.299 460 W C 2.287 178.842 176.519 0.060 0.000 1.215 460 W CA 2.870 60.244 57.345 0.049 0.000 1.244 460 W CB -0.603 28.878 29.460 0.034 0.000 1.140 460 W HN 0.382 nan 8.180 nan 0.000 0.523 461 T N 1.505 116.135 114.554 0.127 0.000 2.788 461 T HA -0.225 4.123 4.350 -0.003 0.000 0.268 461 T C 1.852 176.522 174.700 -0.050 0.000 1.044 461 T CA 1.812 63.875 62.100 -0.060 0.000 1.139 461 T CB -0.536 68.439 68.868 0.178 0.000 0.867 461 T HN 0.178 nan 8.240 nan 0.000 0.454 462 L N 1.104 122.334 121.223 0.012 0.000 2.046 462 L HA -0.123 4.215 4.340 -0.003 0.000 0.208 462 L C 2.834 179.703 176.870 -0.001 0.000 1.077 462 L CA 1.146 56.019 54.840 0.055 0.000 0.747 462 L CB -0.702 41.388 42.059 0.051 0.000 0.896 462 L HN 0.252 nan 8.230 nan 0.000 0.432 463 S N -0.533 115.087 115.700 -0.133 0.000 2.383 463 S HA -0.171 4.297 4.470 -0.003 0.000 0.229 463 S C 1.951 176.380 174.600 -0.284 0.000 1.030 463 S CA 0.940 59.026 58.200 -0.190 0.000 1.002 463 S CB -0.366 62.686 63.200 -0.247 0.000 0.829 463 S HN 0.305 nan 8.310 nan 0.000 0.467 464 R N 0.132 120.337 120.500 -0.490 0.000 2.341 464 R HA 0.053 4.391 4.340 -0.003 0.000 0.213 464 R C 0.417 176.362 176.300 -0.592 0.000 1.082 464 R CA 0.843 56.570 56.100 -0.622 0.000 1.017 464 R CB -0.429 29.336 30.300 -0.893 0.000 0.860 464 R HN 0.602 nan 8.270 nan 0.000 0.473 465 Y N -2.021 118.202 120.300 -0.129 0.000 2.527 465 Y HA 0.282 4.830 4.550 -0.004 0.000 0.247 465 Y C 1.790 177.733 175.900 0.072 0.000 1.138 465 Y CA 0.110 58.201 58.100 -0.016 0.000 1.228 465 Y CB 0.123 38.572 38.460 -0.020 0.000 1.252 465 Y HN -0.052 nan 8.280 nan 0.000 0.531 466 A N 0.252 123.149 122.820 0.128 0.000 1.985 466 A HA -0.377 3.942 4.320 -0.003 0.000 0.223 466 A C 1.890 179.580 177.584 0.178 0.000 1.189 466 A CA 2.672 54.775 52.037 0.110 0.000 0.658 466 A CB -0.873 18.140 19.000 0.021 0.000 0.820 466 A HN 0.578 nan 8.150 nan 0.000 0.464 467 H N -2.714 116.395 119.070 0.066 0.000 2.422 467 H HA -0.165 4.389 4.556 -0.003 0.000 0.298 467 H C 1.620 177.028 175.328 0.134 0.000 1.098 467 H CA 1.547 57.637 56.048 0.069 0.000 1.315 467 H CB -0.382 29.410 29.762 0.050 0.000 1.382 467 H HN 0.753 nan 8.280 nan 0.000 0.523 468 W N -0.227 121.101 121.300 0.046 0.000 2.494 468 W HA -0.015 4.644 4.660 -0.002 0.000 0.286 468 W C 2.138 178.655 176.519 -0.002 0.000 1.218 468 W CA 1.117 58.449 57.345 -0.022 0.000 1.313 468 W CB -0.289 29.176 29.460 0.007 0.000 1.105 468 W HN -0.055 nan 8.180 nan 0.000 0.561 469 V N 1.200 121.181 119.914 0.111 0.000 2.261 469 V HA -0.268 3.850 4.120 -0.003 0.000 0.246 469 V C 1.753 177.795 176.094 -0.087 0.000 1.047 469 V CA 2.042 64.331 62.300 -0.019 0.000 1.015 469 V CB -1.448 30.427 31.823 0.087 0.000 0.642 469 V HN 0.110 nan 8.190 nan 0.000 0.446 470 V N -1.873 118.029 119.914 -0.020 0.000 3.111 470 V HA 0.328 4.446 4.120 -0.003 0.000 0.381 470 V C 0.957 177.006 176.094 -0.075 0.000 1.387 470 V CA 1.284 63.570 62.300 -0.023 0.000 1.550 470 V CB -0.123 31.721 31.823 0.034 0.000 1.305 470 V HN 0.352 nan 8.190 nan 0.000 0.494 471 S N -0.524 115.051 115.700 -0.209 0.000 2.700 471 S HA 0.267 4.735 4.470 -0.003 0.000 0.272 471 S C 0.422 174.824 174.600 -0.330 0.000 1.052 471 S CA -0.267 57.775 58.200 -0.263 0.000 1.317 471 S CB 0.233 63.238 63.200 -0.326 0.000 1.212 471 S HN 0.688 nan 8.310 nan 0.000 0.675 472 Q N 1.767 121.339 119.800 -0.380 0.000 2.348 472 Q HA 0.513 4.851 4.340 -0.003 0.000 0.271 472 Q C -2.916 172.988 176.000 -0.159 0.000 1.067 472 Q CA -2.661 52.952 55.803 -0.316 0.000 0.839 472 Q CB 0.379 28.843 28.738 -0.456 0.000 1.354 472 Q HN 0.077 nan 8.270 nan 0.000 0.447 473 P HA -0.068 nan 4.420 nan 0.000 0.257 473 P C -1.791 175.464 177.300 -0.076 0.000 1.162 473 P CA -0.423 62.620 63.100 -0.095 0.000 0.762 473 P CB -0.050 31.588 31.700 -0.104 0.000 0.753 474 P HA -0.291 nan 4.420 nan 0.000 0.221 474 P C 1.214 178.520 177.300 0.009 0.000 1.160 474 P CA 1.668 64.769 63.100 0.002 0.000 0.933 474 P CB -0.034 31.683 31.700 0.029 0.000 0.793 475 D N -1.780 118.621 120.400 0.000 0.000 2.219 475 D HA -0.108 4.530 4.640 -0.003 0.000 0.205 475 D C 1.768 178.026 176.300 -0.071 0.000 0.970 475 D CA 1.719 55.720 54.000 0.001 0.000 0.851 475 D CB -0.554 40.251 40.800 0.007 0.000 0.943 475 D HN 0.217 nan 8.370 nan 0.000 0.488 476 T N -3.130 111.330 114.554 -0.156 0.000 2.904 476 T HA -0.083 4.265 4.350 -0.003 0.000 0.267 476 T C 1.770 176.171 174.700 -0.499 0.000 1.059 476 T CA 1.012 62.897 62.100 -0.358 0.000 1.137 476 T CB -0.350 68.227 68.868 -0.485 0.000 0.879 476 T HN 0.302 nan 8.240 nan 0.000 0.467 477 Y N -0.926 119.354 120.300 -0.034 0.000 2.723 477 Y HA 0.400 4.949 4.550 -0.003 0.000 0.272 477 Y C 1.936 177.827 175.900 -0.014 0.000 1.142 477 Y CA -0.568 57.523 58.100 -0.016 0.000 1.217 477 Y CB 0.168 38.608 38.460 -0.034 0.000 1.391 477 Y HN 0.088 nan 8.280 nan 0.000 0.479 478 L N 1.603 122.896 121.223 0.116 0.000 1.970 478 L HA -0.199 4.139 4.340 -0.003 0.000 0.212 478 L C 2.350 179.214 176.870 -0.011 0.000 1.071 478 L CA 2.295 57.163 54.840 0.046 0.000 0.751 478 L CB -0.535 41.535 42.059 0.019 0.000 0.889 478 L HN 0.093 nan 8.230 nan 0.000 0.432 479 K N 0.255 120.624 120.400 -0.052 0.000 2.015 479 K HA -0.192 4.126 4.320 -0.003 0.000 0.220 479 K C -0.546 176.002 176.600 -0.087 0.000 1.055 479 K CA 2.740 58.942 56.287 -0.142 0.000 0.951 479 K CB -1.731 30.732 32.500 -0.062 0.000 0.725 479 K HN 0.308 nan 8.250 nan 0.000 0.449 480 P HA -0.086 nan 4.420 nan 0.000 0.219 480 P C 1.310 178.627 177.300 0.029 0.000 1.150 480 P CA 0.886 63.995 63.100 0.015 0.000 0.814 480 P CB -0.069 31.660 31.700 0.047 0.000 0.787 481 L N -0.832 120.420 121.223 0.050 0.000 1.994 481 L HA -0.070 4.268 4.340 -0.003 0.000 0.208 481 L C 2.213 179.123 176.870 0.067 0.000 1.071 481 L CA 1.988 56.867 54.840 0.066 0.000 0.745 481 L CB -1.300 40.809 42.059 0.083 0.000 0.892 481 L HN -0.119 nan 8.230 nan 0.000 0.431 482 M N -1.391 118.240 119.600 0.053 0.000 2.476 482 M HA -0.141 4.337 4.480 -0.003 0.000 0.262 482 M C 1.647 177.985 176.300 0.063 0.000 1.079 482 M CA 1.540 56.910 55.300 0.115 0.000 1.104 482 M CB -0.248 32.402 32.600 0.084 0.000 1.409 482 M HN 0.405 nan 8.290 nan 0.000 0.467 483 T N 0.879 115.436 114.554 0.005 0.000 2.612 483 T HA -0.113 4.235 4.350 -0.003 0.000 0.259 483 T C 1.615 176.316 174.700 0.000 0.000 1.065 483 T CA 1.470 63.569 62.100 -0.002 0.000 1.167 483 T CB -0.243 68.621 68.868 -0.007 0.000 0.863 483 T HN 0.399 nan 8.240 nan 0.000 0.407 484 E N 0.910 121.117 120.200 0.011 0.000 2.051 484 E HA -0.063 4.285 4.350 -0.003 0.000 0.192 484 E C 2.280 178.889 176.600 0.015 0.000 0.991 484 E CA 0.629 57.035 56.400 0.009 0.000 0.799 484 E CB -0.649 29.062 29.700 0.018 0.000 0.748 484 E HN 0.202 nan 8.360 nan 0.000 0.449 485 L N 0.964 122.214 121.223 0.045 0.000 2.051 485 L HA -0.190 4.149 4.340 -0.003 0.000 0.214 485 L C 2.376 179.246 176.870 0.001 0.000 1.076 485 L CA 1.381 56.264 54.840 0.072 0.000 0.758 485 L CB -0.510 41.649 42.059 0.166 0.000 0.890 485 L HN 0.123 nan 8.230 nan 0.000 0.433 486 L N -1.350 119.839 121.223 -0.056 0.000 2.109 486 L HA -0.185 4.153 4.340 -0.003 0.000 0.207 486 L C 2.497 179.299 176.870 -0.114 0.000 1.086 486 L CA 1.122 55.852 54.840 -0.183 0.000 0.760 486 L CB -0.269 41.684 42.059 -0.176 0.000 0.910 486 L HN 0.244 nan 8.230 nan 0.000 0.437 487 K N -0.559 119.801 120.400 -0.067 0.000 2.148 487 K HA -0.129 4.189 4.320 -0.003 0.000 0.204 487 K C 1.928 178.506 176.600 -0.037 0.000 1.050 487 K CA 0.659 56.912 56.287 -0.057 0.000 0.942 487 K CB -0.016 32.455 32.500 -0.048 0.000 0.724 487 K HN 0.069 nan 8.250 nan 0.000 0.446 488 R N 1.075 121.565 120.500 -0.017 0.000 2.316 488 R HA 0.109 4.447 4.340 -0.003 0.000 0.202 488 R C 1.797 178.112 176.300 0.025 0.000 1.029 488 R CA 0.389 56.494 56.100 0.008 0.000 1.018 488 R CB -0.527 29.788 30.300 0.026 0.000 0.888 488 R HN 0.262 nan 8.270 nan 0.000 0.471 489 I N -0.336 120.238 120.570 0.006 0.000 2.277 489 I HA -0.205 3.963 4.170 -0.003 0.000 0.243 489 I C 1.439 177.586 176.117 0.051 0.000 1.094 489 I CA 1.011 62.347 61.300 0.059 0.000 1.393 489 I CB -0.097 37.904 38.000 0.003 0.000 1.078 489 I HN 0.061 nan 8.210 nan 0.000 0.417 490 L N 0.074 121.278 121.223 -0.032 0.000 2.551 490 L HA -0.074 4.264 4.340 -0.003 0.000 0.228 490 L C 0.841 177.674 176.870 -0.061 0.000 1.153 490 L CA 0.035 54.825 54.840 -0.082 0.000 0.851 490 L CB -0.844 41.168 42.059 -0.077 0.000 0.959 490 L HN 0.274 nan 8.230 nan 0.000 0.451 491 D N 0.691 121.079 120.400 -0.020 0.000 2.601 491 D HA -0.127 4.511 4.640 -0.003 0.000 0.229 491 D C 0.458 176.753 176.300 -0.009 0.000 1.140 491 D CA 0.542 54.537 54.000 -0.008 0.000 0.862 491 D CB 0.920 41.730 40.800 0.016 0.000 1.192 491 D HN -0.057 nan 8.370 nan 0.000 0.480 492 S N 3.181 118.873 115.700 -0.013 0.000 2.699 492 S HA 0.055 4.523 4.470 -0.003 0.000 0.251 492 S C 0.364 174.965 174.600 0.001 0.000 1.179 492 S CA -0.395 57.798 58.200 -0.011 0.000 1.200 492 S CB -0.563 62.626 63.200 -0.018 0.000 0.848 492 S HN 0.437 nan 8.310 nan 0.000 0.472 493 N N 0.866 119.576 118.700 0.018 0.000 2.577 493 N HA 0.180 4.919 4.740 -0.003 0.000 0.275 493 N C 0.320 175.858 175.510 0.046 0.000 1.091 493 N CA -0.326 52.736 53.050 0.021 0.000 0.843 493 N CB 0.492 38.985 38.487 0.009 0.000 1.295 493 N HN -0.136 nan 8.380 nan 0.000 0.530 494 K N 1.063 121.493 120.400 0.051 0.000 2.089 494 K HA -0.142 4.176 4.320 -0.003 0.000 0.210 494 K C 1.949 178.579 176.600 0.051 0.000 1.048 494 K CA 1.366 57.695 56.287 0.071 0.000 0.926 494 K CB -0.000 32.533 32.500 0.055 0.000 0.714 494 K HN 0.420 nan 8.250 nan 0.000 0.448 495 R N 0.458 120.978 120.500 0.033 0.000 2.075 495 R HA -0.046 4.292 4.340 -0.003 0.000 0.232 495 R C 2.053 178.376 176.300 0.038 0.000 1.126 495 R CA 1.143 57.259 56.100 0.026 0.000 0.963 495 R CB -0.459 29.852 30.300 0.018 0.000 0.858 495 R HN 0.095 nan 8.270 nan 0.000 0.435 496 V N 1.311 121.251 119.914 0.044 0.000 2.358 496 V HA -0.256 3.862 4.120 -0.003 0.000 0.246 496 V C 2.407 178.544 176.094 0.072 0.000 1.047 496 V CA 1.634 63.967 62.300 0.056 0.000 1.035 496 V CB -0.429 31.421 31.823 0.044 0.000 0.658 496 V HN 0.380 nan 8.190 nan 0.000 0.452 497 Q N -0.050 119.805 119.800 0.093 0.000 1.967 497 Q HA -0.313 4.025 4.340 -0.003 0.000 0.210 497 Q C 2.438 178.472 176.000 0.057 0.000 1.005 497 Q CA 2.369 58.264 55.803 0.153 0.000 0.862 497 Q CB -0.480 28.440 28.738 0.304 0.000 0.939 497 Q HN 0.710 nan 8.270 nan 0.000 0.417 498 E N 0.545 120.734 120.200 -0.018 0.000 2.097 498 E HA -0.273 4.075 4.350 -0.003 0.000 0.196 498 E C 1.944 178.542 176.600 -0.002 0.000 1.000 498 E CA 1.369 57.721 56.400 -0.079 0.000 0.804 498 E CB -0.144 29.515 29.700 -0.069 0.000 0.740 498 E HN 0.349 nan 8.360 nan 0.000 0.454 499 A N 1.543 124.390 122.820 0.046 0.000 1.883 499 A HA -0.134 4.184 4.320 -0.003 0.000 0.217 499 A C 2.518 180.174 177.584 0.121 0.000 1.186 499 A CA 2.511 54.610 52.037 0.103 0.000 0.624 499 A CB -0.973 18.096 19.000 0.115 0.000 0.822 499 A HN 0.468 nan 8.150 nan 0.000 0.444 500 A N -0.748 122.132 122.820 0.099 0.000 1.883 500 A HA -0.205 4.113 4.320 -0.003 0.000 0.217 500 A C 2.356 180.014 177.584 0.123 0.000 1.186 500 A CA 1.876 53.977 52.037 0.107 0.000 0.624 500 A CB -1.392 17.659 19.000 0.085 0.000 0.822 500 A HN 0.692 nan 8.150 nan 0.000 0.444 501 C N -1.388 117.957 119.300 0.076 0.000 2.432 501 C HA -0.038 4.421 4.460 -0.003 0.000 0.277 501 C C 3.187 178.256 174.990 0.131 0.000 1.249 501 C CA 1.117 60.187 59.018 0.086 0.000 1.725 501 C CB -1.371 26.339 27.740 -0.051 0.000 2.028 501 C HN 0.640 nan 8.230 nan 0.000 0.477 502 S N 0.690 116.441 115.700 0.086 0.000 2.383 502 S HA -0.138 4.330 4.470 -0.003 0.000 0.229 502 S C 2.078 176.747 174.600 0.114 0.000 1.030 502 S CA 1.556 59.814 58.200 0.096 0.000 1.002 502 S CB -0.377 62.888 63.200 0.109 0.000 0.829 502 S HN 0.628 nan 8.310 nan 0.000 0.467 503 A N 0.406 123.309 122.820 0.139 0.000 1.883 503 A HA -0.053 4.265 4.320 -0.003 0.000 0.217 503 A C 1.960 179.622 177.584 0.131 0.000 1.186 503 A CA 1.678 53.784 52.037 0.115 0.000 0.624 503 A CB -1.083 17.998 19.000 0.135 0.000 0.822 503 A HN 0.628 nan 8.150 nan 0.000 0.444 504 F N 0.760 120.725 119.950 0.026 0.000 2.171 504 F HA -0.028 4.497 4.527 -0.004 0.000 0.300 504 F C 2.555 178.368 175.800 0.020 0.000 1.090 504 F CA 0.843 58.858 58.000 0.025 0.000 1.293 504 F CB -0.447 38.573 39.000 0.033 0.000 1.013 504 F HN 0.263 nan 8.300 nan 0.000 0.486 505 A N -0.267 122.609 122.820 0.093 0.000 1.865 505 A HA -0.230 4.088 4.320 -0.003 0.000 0.217 505 A C 2.224 179.767 177.584 -0.068 0.000 1.191 505 A CA 2.641 54.681 52.037 0.005 0.000 0.623 505 A CB -1.498 17.532 19.000 0.050 0.000 0.826 505 A HN 0.425 nan 8.150 nan 0.000 0.444 506 T N 0.268 114.796 114.554 -0.043 0.000 2.665 506 T HA -0.214 4.134 4.350 -0.003 0.000 0.268 506 T C 1.818 176.456 174.700 -0.103 0.000 1.035 506 T CA 1.583 63.644 62.100 -0.066 0.000 1.151 506 T CB -0.571 68.259 68.868 -0.063 0.000 0.862 506 T HN 0.292 nan 8.240 nan 0.000 0.438 507 L N 1.402 122.546 121.223 -0.132 0.000 2.043 507 L HA -0.153 4.185 4.340 -0.003 0.000 0.212 507 L C 2.369 179.111 176.870 -0.213 0.000 1.075 507 L CA 1.830 56.569 54.840 -0.168 0.000 0.752 507 L CB -0.635 41.294 42.059 -0.216 0.000 0.891 507 L HN 0.305 nan 8.230 nan 0.000 0.432 508 E N -0.722 119.299 120.200 -0.297 0.000 2.072 508 E HA -0.240 4.108 4.350 -0.003 0.000 0.191 508 E C 2.027 178.549 176.600 -0.130 0.000 0.985 508 E CA 1.264 57.517 56.400 -0.245 0.000 0.801 508 E CB -0.169 29.367 29.700 -0.273 0.000 0.750 508 E HN 0.594 nan 8.360 nan 0.000 0.452 509 E N 0.389 120.525 120.200 -0.107 0.000 2.333 509 E HA -0.189 4.159 4.350 -0.003 0.000 0.200 509 E C 1.628 178.180 176.600 -0.079 0.000 1.010 509 E CA 0.735 57.086 56.400 -0.080 0.000 0.841 509 E CB 0.166 29.820 29.700 -0.076 0.000 0.757 509 E HN 0.183 nan 8.360 nan 0.000 0.508 510 E N -0.785 119.368 120.200 -0.079 0.000 2.307 510 E HA 0.063 4.411 4.350 -0.003 0.000 0.195 510 E C 1.768 178.350 176.600 -0.031 0.000 0.975 510 E CA 0.534 56.904 56.400 -0.049 0.000 0.878 510 E CB 0.273 29.957 29.700 -0.026 0.000 0.845 510 E HN 0.207 nan 8.360 nan 0.000 0.488 511 A N 0.669 123.458 122.820 -0.052 0.000 1.854 511 A HA -0.104 4.214 4.320 -0.003 0.000 0.214 511 A C 1.794 179.364 177.584 -0.025 0.000 1.192 511 A CA 1.296 53.311 52.037 -0.037 0.000 0.611 511 A CB -0.552 18.414 19.000 -0.056 0.000 0.832 511 A HN 0.331 nan 8.150 nan 0.000 0.442 512 C N -2.042 117.239 119.300 -0.031 0.000 4.498 512 C HA -0.207 4.251 4.460 -0.003 0.000 0.286 512 C C 1.546 176.529 174.990 -0.011 0.000 1.663 512 C CA 1.686 60.691 59.018 -0.022 0.000 1.923 512 C CB -2.626 25.101 27.740 -0.022 0.000 1.883 512 C HN 1.005 nan 8.230 nan 0.000 0.696 513 T N -5.719 108.828 114.554 -0.013 0.000 3.508 513 T HA 0.004 4.352 4.350 -0.003 0.000 0.278 513 T C 0.719 175.401 174.700 -0.030 0.000 0.881 513 T CA 0.293 62.379 62.100 -0.023 0.000 0.774 513 T CB -0.338 68.519 68.868 -0.019 0.000 1.230 513 T HN 0.379 nan 8.240 nan 0.000 0.837 514 E N 1.808 122.009 120.200 0.001 0.000 2.371 514 E HA 0.225 4.573 4.350 -0.003 0.000 0.194 514 E C 1.732 178.395 176.600 0.106 0.000 1.012 514 E CA 0.505 56.929 56.400 0.040 0.000 0.860 514 E CB -0.012 29.719 29.700 0.052 0.000 0.811 514 E HN 0.553 nan 8.360 nan 0.000 0.502 515 L N 0.086 121.359 121.223 0.082 0.000 2.375 515 L HA -0.016 4.322 4.340 -0.003 0.000 0.215 515 L C 2.337 179.259 176.870 0.087 0.000 1.108 515 L CA 0.134 55.067 54.840 0.156 0.000 0.830 515 L CB -0.470 41.653 42.059 0.106 0.000 0.959 515 L HN -0.131 nan 8.230 nan 0.000 0.457 516 V N 0.625 120.523 119.914 -0.026 0.000 2.313 516 V HA -0.243 3.875 4.120 -0.003 0.000 0.253 516 V C 0.190 176.201 176.094 -0.138 0.000 1.070 516 V CA 2.218 64.450 62.300 -0.113 0.000 1.057 516 V CB -1.837 29.792 31.823 -0.324 0.000 0.653 516 V HN 0.378 nan 8.190 nan 0.000 0.450 517 P HA -0.175 nan 4.420 nan 0.000 0.213 517 P C 1.183 178.202 177.300 -0.469 0.000 1.170 517 P CA 1.750 64.561 63.100 -0.482 0.000 0.902 517 P CB -0.164 30.992 31.700 -0.907 0.000 0.789 518 Y N -1.556 118.713 120.300 -0.053 0.000 2.470 518 Y HA 0.171 4.719 4.550 -0.003 0.000 0.284 518 Y C 2.003 177.883 175.900 -0.033 0.000 1.188 518 Y CA -0.312 57.735 58.100 -0.088 0.000 1.269 518 Y CB -0.826 37.636 38.460 0.005 0.000 1.094 518 Y HN -0.132 nan 8.280 nan 0.000 0.518 519 L N -0.314 120.979 121.223 0.116 0.000 2.042 519 L HA -0.267 4.071 4.340 -0.003 0.000 0.210 519 L C 2.677 179.531 176.870 -0.026 0.000 1.076 519 L CA 1.220 56.144 54.840 0.140 0.000 0.749 519 L CB -0.767 41.474 42.059 0.302 0.000 0.893 519 L HN 0.388 nan 8.230 nan 0.000 0.432 520 A N -0.212 122.565 122.820 -0.070 0.000 1.917 520 A HA -0.260 4.058 4.320 -0.003 0.000 0.219 520 A C 2.099 179.713 177.584 0.051 0.000 1.182 520 A CA 1.790 53.727 52.037 -0.166 0.000 0.633 520 A CB -0.954 18.013 19.000 -0.056 0.000 0.819 520 A HN 0.479 nan 8.150 nan 0.000 0.448 521 Y N -0.571 119.739 120.300 0.018 0.000 2.243 521 Y HA -0.119 4.429 4.550 -0.003 0.000 0.293 521 Y C 2.492 178.392 175.900 0.001 0.000 1.124 521 Y CA 0.120 58.230 58.100 0.017 0.000 1.159 521 Y CB -0.198 38.300 38.460 0.064 0.000 1.008 521 Y HN 0.174 nan 8.280 nan 0.000 0.527 522 I N 0.257 120.948 120.570 0.202 0.000 2.087 522 I HA -0.347 3.821 4.170 -0.003 0.000 0.240 522 I C 2.229 178.392 176.117 0.077 0.000 1.054 522 I CA 1.660 63.046 61.300 0.144 0.000 1.311 522 I CB -1.377 36.769 38.000 0.243 0.000 1.024 522 I HN 0.263 nan 8.210 nan 0.000 0.402 523 L N 0.758 122.006 121.223 0.042 0.000 1.970 523 L HA -0.250 4.088 4.340 -0.003 0.000 0.212 523 L C 2.352 179.245 176.870 0.039 0.000 1.071 523 L CA 2.114 56.966 54.840 0.020 0.000 0.751 523 L CB -0.917 41.087 42.059 -0.093 0.000 0.889 523 L HN 0.220 nan 8.230 nan 0.000 0.432 524 D N -1.445 118.965 120.400 0.016 0.000 2.191 524 D HA -0.238 4.400 4.640 -0.003 0.000 0.195 524 D C 2.094 178.430 176.300 0.060 0.000 1.003 524 D CA 1.861 55.880 54.000 0.031 0.000 0.867 524 D CB 0.126 40.933 40.800 0.011 0.000 0.926 524 D HN 0.533 nan 8.370 nan 0.000 0.450 525 T N -2.255 112.322 114.554 0.038 0.000 2.852 525 T HA -0.007 4.341 4.350 -0.003 0.000 0.256 525 T C 2.258 177.026 174.700 0.114 0.000 1.038 525 T CA 0.335 62.459 62.100 0.040 0.000 1.141 525 T CB -0.585 68.258 68.868 -0.041 0.000 0.869 525 T HN 0.121 nan 8.240 nan 0.000 0.439 526 L N 1.935 123.213 121.223 0.092 0.000 2.017 526 L HA -0.058 4.280 4.340 -0.003 0.000 0.208 526 L C 3.086 180.121 176.870 0.274 0.000 1.073 526 L CA 1.733 56.657 54.840 0.141 0.000 0.745 526 L CB -0.850 41.286 42.059 0.128 0.000 0.894 526 L HN 0.346 nan 8.230 nan 0.000 0.432 527 V N -3.924 116.140 119.914 0.249 0.000 2.626 527 V HA -0.271 3.847 4.120 -0.003 0.000 0.252 527 V C 2.183 178.450 176.094 0.289 0.000 1.067 527 V CA 1.406 63.858 62.300 0.254 0.000 1.081 527 V CB -1.003 30.886 31.823 0.109 0.000 0.686 527 V HN 0.281 nan 8.190 nan 0.000 0.468 528 F N 1.679 121.696 119.950 0.112 0.000 2.456 528 F HA 0.372 4.897 4.527 -0.003 0.000 0.298 528 F C 2.418 178.252 175.800 0.057 0.000 1.104 528 F CA 0.705 58.743 58.000 0.064 0.000 1.435 528 F CB -0.335 38.663 39.000 -0.004 0.000 1.078 528 F HN 0.197 nan 8.300 nan 0.000 0.546 529 A N 0.061 122.998 122.820 0.195 0.000 2.032 529 A HA -0.222 4.096 4.320 -0.003 0.000 0.221 529 A C 1.948 179.466 177.584 -0.109 0.000 1.165 529 A CA 1.732 53.756 52.037 -0.021 0.000 0.645 529 A CB -1.413 17.654 19.000 0.112 0.000 0.807 529 A HN 0.420 nan 8.150 nan 0.000 0.453 530 F N 0.418 120.321 119.950 -0.078 0.000 2.134 530 F HA -0.133 4.392 4.527 -0.003 0.000 0.299 530 F C 2.624 178.305 175.800 -0.199 0.000 1.097 530 F CA 1.588 59.533 58.000 -0.092 0.000 1.264 530 F CB -0.664 38.288 39.000 -0.081 0.000 1.001 530 F HN 0.100 nan 8.300 nan 0.000 0.479 531 S N -0.908 114.663 115.700 -0.216 0.000 2.571 531 S HA -0.164 4.304 4.470 -0.003 0.000 0.245 531 S C 1.634 176.041 174.600 -0.322 0.000 0.976 531 S CA 1.167 59.102 58.200 -0.443 0.000 0.954 531 S CB -0.322 62.176 63.200 -1.171 0.000 0.756 531 S HN 0.346 nan 8.310 nan 0.000 0.535 532 K N -1.019 119.221 120.400 -0.267 0.000 2.608 532 K HA 0.161 4.479 4.320 -0.003 0.000 0.209 532 K C -1.310 175.128 176.600 -0.271 0.000 1.369 532 K CA -0.049 56.079 56.287 -0.265 0.000 1.029 532 K CB 0.703 33.018 32.500 -0.309 0.000 1.139 532 K HN 0.085 nan 8.250 nan 0.000 0.623 533 Y N 2.457 122.689 120.300 -0.112 0.000 2.356 533 Y HA 0.325 4.873 4.550 -0.003 0.000 0.334 533 Y C 0.229 176.066 175.900 -0.105 0.000 0.958 533 Y CA -1.066 56.951 58.100 -0.138 0.000 1.196 533 Y CB 1.116 39.426 38.460 -0.249 0.000 1.137 533 Y HN -0.016 nan 8.280 nan 0.000 0.485 534 Q N 1.932 121.820 119.800 0.147 0.000 2.614 534 Q HA -0.077 4.261 4.340 -0.003 0.000 0.244 534 Q C 1.750 177.792 176.000 0.068 0.000 1.097 534 Q CA 0.079 55.941 55.803 0.097 0.000 0.986 534 Q CB 0.492 29.285 28.738 0.092 0.000 1.308 534 Q HN 0.796 nan 8.270 nan 0.000 0.546 535 H N 1.626 120.707 119.070 0.019 0.000 2.325 535 H HA -0.248 4.306 4.556 -0.003 0.000 0.293 535 H C 1.828 177.151 175.328 -0.009 0.000 1.106 535 H CA 2.505 58.564 56.048 0.018 0.000 1.247 535 H CB 0.267 30.047 29.762 0.029 0.000 1.359 535 H HN 0.576 nan 8.280 nan 0.000 0.488 536 K N 0.030 120.355 120.400 -0.124 0.000 2.025 536 K HA -0.112 4.206 4.320 -0.003 0.000 0.207 536 K C 1.814 178.270 176.600 -0.240 0.000 1.049 536 K CA 1.551 57.727 56.287 -0.185 0.000 0.933 536 K CB 0.092 32.591 32.500 -0.002 0.000 0.714 536 K HN 0.220 nan 8.250 nan 0.000 0.438 537 N N 0.838 119.391 118.700 -0.246 0.000 2.550 537 N HA -0.088 4.650 4.740 -0.003 0.000 0.186 537 N C 1.266 176.444 175.510 -0.555 0.000 1.110 537 N CA 0.354 53.145 53.050 -0.432 0.000 0.912 537 N CB 0.018 38.143 38.487 -0.603 0.000 0.968 537 N HN 0.177 nan 8.380 nan 0.000 0.448 538 L N 0.205 121.172 121.223 -0.426 0.000 2.156 538 L HA 0.077 4.415 4.340 -0.003 0.000 0.208 538 L C 1.545 178.125 176.870 -0.483 0.000 1.095 538 L CA 1.150 55.689 54.840 -0.502 0.000 0.770 538 L CB -0.283 41.573 42.059 -0.338 0.000 0.914 538 L HN 0.060 nan 8.230 nan 0.000 0.439 539 L N -0.626 120.444 121.223 -0.256 0.000 2.042 539 L HA -0.240 4.098 4.340 -0.003 0.000 0.210 539 L C 2.420 179.281 176.870 -0.016 0.000 1.076 539 L CA 1.018 55.857 54.840 -0.002 0.000 0.749 539 L CB -0.891 41.132 42.059 -0.061 0.000 0.893 539 L HN 0.249 nan 8.230 nan 0.000 0.432 540 I N -0.754 119.725 120.570 -0.152 0.000 2.315 540 I HA -0.222 3.946 4.170 -0.003 0.000 0.248 540 I C 2.510 178.556 176.117 -0.117 0.000 1.117 540 I CA 1.239 62.471 61.300 -0.113 0.000 1.404 540 I CB -1.135 36.770 38.000 -0.157 0.000 1.071 540 I HN 0.204 nan 8.210 nan 0.000 0.419 541 L N 0.470 121.528 121.223 -0.275 0.000 2.013 541 L HA -0.236 4.102 4.340 -0.003 0.000 0.212 541 L C 2.648 179.458 176.870 -0.100 0.000 1.073 541 L CA 1.959 56.642 54.840 -0.261 0.000 0.753 541 L CB -1.220 40.512 42.059 -0.545 0.000 0.890 541 L HN 0.163 nan 8.230 nan 0.000 0.432 542 Y N -0.791 119.514 120.300 0.009 0.000 2.139 542 Y HA -0.371 4.177 4.550 -0.003 0.000 0.282 542 Y C 2.549 178.490 175.900 0.068 0.000 1.179 542 Y CA 1.432 59.579 58.100 0.078 0.000 1.161 542 Y CB -0.352 38.146 38.460 0.064 0.000 0.970 542 Y HN 0.294 nan 8.280 nan 0.000 0.511 543 D N -0.471 120.040 120.400 0.185 0.000 2.137 543 D HA -0.100 4.538 4.640 -0.003 0.000 0.202 543 D C 2.173 178.537 176.300 0.107 0.000 0.970 543 D CA 1.140 55.212 54.000 0.121 0.000 0.837 543 D CB -0.268 40.580 40.800 0.079 0.000 0.981 543 D HN 0.226 nan 8.370 nan 0.000 0.475 544 A N 0.075 122.959 122.820 0.107 0.000 1.908 544 A HA -0.139 4.180 4.320 -0.003 0.000 0.218 544 A C 2.242 179.933 177.584 0.179 0.000 1.181 544 A CA 1.215 53.346 52.037 0.158 0.000 0.627 544 A CB -0.748 18.367 19.000 0.190 0.000 0.818 544 A HN 0.283 nan 8.150 nan 0.000 0.445 545 I N 0.104 120.778 120.570 0.174 0.000 2.142 545 I HA -0.159 4.009 4.170 -0.003 0.000 0.240 545 I C 2.725 178.935 176.117 0.156 0.000 1.078 545 I CA 1.614 63.027 61.300 0.188 0.000 1.343 545 I CB -0.916 37.222 38.000 0.230 0.000 1.046 545 I HN 0.312 nan 8.210 nan 0.000 0.405 546 G N -0.629 108.262 108.800 0.151 0.000 2.513 546 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.219 546 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.219 546 G C 1.658 176.602 174.900 0.072 0.000 1.160 546 G CA 1.750 46.916 45.100 0.110 0.000 0.767 546 G HN 0.392 nan 8.290 nan 0.000 0.571 547 T N 0.942 115.534 114.554 0.063 0.000 2.746 547 T HA -0.076 4.272 4.350 -0.003 0.000 0.267 547 T C 2.244 176.961 174.700 0.029 0.000 1.039 547 T CA 1.037 63.154 62.100 0.027 0.000 1.142 547 T CB -0.218 68.652 68.868 0.004 0.000 0.866 547 T HN 0.200 nan 8.240 nan 0.000 0.444 548 L N 0.979 122.243 121.223 0.068 0.000 1.943 548 L HA -0.161 4.177 4.340 -0.003 0.000 0.215 548 L C 2.824 179.740 176.870 0.077 0.000 1.074 548 L CA 1.925 56.816 54.840 0.085 0.000 0.759 548 L CB -0.687 41.463 42.059 0.151 0.000 0.888 548 L HN 0.288 nan 8.230 nan 0.000 0.433 549 A N -1.312 121.561 122.820 0.089 0.000 2.024 549 A HA -0.293 4.025 4.320 -0.003 0.000 0.220 549 A C 2.017 179.615 177.584 0.023 0.000 1.164 549 A CA 2.021 54.099 52.037 0.069 0.000 0.643 549 A CB -0.774 18.273 19.000 0.078 0.000 0.806 549 A HN 0.672 nan 8.150 nan 0.000 0.451 550 D N -1.025 119.386 120.400 0.018 0.000 2.363 550 D HA 0.056 4.695 4.640 -0.003 0.000 0.226 550 D C 0.687 176.975 176.300 -0.019 0.000 1.020 550 D CA 0.848 54.842 54.000 -0.010 0.000 0.892 550 D CB 0.250 41.047 40.800 -0.005 0.000 0.900 550 D HN 0.381 nan 8.370 nan 0.000 0.531 551 S N -0.972 114.725 115.700 -0.004 0.000 2.787 551 S HA 0.012 4.480 4.470 -0.003 0.000 0.255 551 S C 1.385 175.992 174.600 0.012 0.000 1.051 551 S CA -0.220 57.975 58.200 -0.008 0.000 1.124 551 S CB 1.454 64.642 63.200 -0.021 0.000 1.104 551 S HN 0.254 nan 8.310 nan 0.000 0.623 552 V N -0.860 119.077 119.914 0.038 0.000 3.605 552 V HA 0.630 4.748 4.120 -0.003 0.000 0.284 552 V C 1.034 177.219 176.094 0.151 0.000 1.386 552 V CA 0.402 62.755 62.300 0.088 0.000 1.053 552 V CB -0.726 31.165 31.823 0.114 0.000 0.857 552 V HN 0.428 nan 8.190 nan 0.000 0.436 553 G N 1.863 110.667 108.800 0.008 0.000 2.578 553 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.275 553 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.275 553 G C 0.537 175.338 174.900 -0.165 0.000 1.271 553 G CA 0.753 45.738 45.100 -0.191 0.000 0.941 553 G HN 0.633 nan 8.290 nan 0.000 0.564 554 H N -0.074 118.966 119.070 -0.050 0.000 2.457 554 H HA -0.106 4.448 4.556 -0.003 0.000 0.297 554 H C 2.296 177.575 175.328 -0.082 0.000 1.092 554 H CA 1.951 57.944 56.048 -0.093 0.000 1.309 554 H CB -0.356 29.309 29.762 -0.162 0.000 1.382 554 H HN 0.730 nan 8.280 nan 0.000 0.535 555 H N 0.644 119.775 119.070 0.102 0.000 2.431 555 H HA -0.139 4.415 4.556 -0.003 0.000 0.297 555 H C 2.377 177.714 175.328 0.015 0.000 1.115 555 H CA 1.120 57.195 56.048 0.045 0.000 1.277 555 H CB -0.231 29.548 29.762 0.029 0.000 1.372 555 H HN 0.186 nan 8.280 nan 0.000 0.516 556 L N 0.712 122.041 121.223 0.176 0.000 2.187 556 L HA -0.140 4.198 4.340 -0.003 0.000 0.213 556 L C 0.699 177.642 176.870 0.120 0.000 1.100 556 L CA 0.850 55.803 54.840 0.188 0.000 0.765 556 L CB -0.333 41.846 42.059 0.199 0.000 0.904 556 L HN 0.203 nan 8.230 nan 0.000 0.437 557 N N 2.055 120.802 118.700 0.078 0.000 2.412 557 N HA 0.028 4.766 4.740 -0.003 0.000 0.279 557 N C -1.120 174.373 175.510 -0.029 0.000 1.287 557 N CA 0.693 53.779 53.050 0.059 0.000 0.948 557 N CB -0.183 38.342 38.487 0.063 0.000 1.255 557 N HN 0.313 nan 8.380 nan 0.000 0.485 558 K N 3.857 124.244 120.400 -0.021 0.000 2.571 558 K HA 0.231 4.549 4.320 -0.003 0.000 0.252 558 K C -2.045 174.592 176.600 0.061 0.000 0.956 558 K CA -1.529 54.707 56.287 -0.086 0.000 0.822 558 K CB 2.414 34.653 32.500 -0.436 0.000 1.286 558 K HN 0.100 nan 8.250 nan 0.000 0.439 559 P HA -0.262 nan 4.420 nan 0.000 0.218 559 P C 0.435 177.808 177.300 0.122 0.000 1.146 559 P CA 1.373 64.523 63.100 0.084 0.000 0.813 559 P CB 0.308 32.039 31.700 0.052 0.000 0.778 560 E N -2.339 117.957 120.200 0.161 0.000 2.166 560 E HA -0.116 4.232 4.350 -0.003 0.000 0.192 560 E C 1.777 178.539 176.600 0.270 0.000 0.967 560 E CA 0.342 56.860 56.400 0.197 0.000 0.840 560 E CB -1.226 28.599 29.700 0.207 0.000 0.795 560 E HN 0.241 nan 8.360 nan 0.000 0.470 561 Y N 1.641 121.984 120.300 0.071 0.000 2.097 561 Y HA -0.216 4.332 4.550 -0.003 0.000 0.282 561 Y C 2.422 178.370 175.900 0.079 0.000 1.152 561 Y CA 1.131 59.278 58.100 0.079 0.000 1.136 561 Y CB -0.170 38.341 38.460 0.084 0.000 0.975 561 Y HN -0.030 nan 8.280 nan 0.000 0.498 562 I N -0.260 120.470 120.570 0.266 0.000 2.194 562 I HA -0.383 3.785 4.170 -0.003 0.000 0.246 562 I C 2.454 178.647 176.117 0.126 0.000 1.093 562 I CA 1.168 62.575 61.300 0.178 0.000 1.355 562 I CB -0.579 37.538 38.000 0.194 0.000 1.046 562 I HN 0.329 nan 8.210 nan 0.000 0.413 563 Q N 0.656 120.536 119.800 0.133 0.000 2.062 563 Q HA -0.252 4.086 4.340 -0.003 0.000 0.209 563 Q C 2.325 178.361 176.000 0.061 0.000 0.996 563 Q CA 2.454 58.316 55.803 0.098 0.000 0.859 563 Q CB -0.417 28.378 28.738 0.094 0.000 0.920 563 Q HN 0.699 nan 8.270 nan 0.000 0.415 564 M N -1.533 118.101 119.600 0.057 0.000 2.419 564 M HA 0.058 4.536 4.480 -0.003 0.000 0.264 564 M C 2.015 178.315 176.300 -0.001 0.000 1.082 564 M CA 1.085 56.403 55.300 0.030 0.000 1.119 564 M CB -0.170 32.450 32.600 0.034 0.000 1.398 564 M HN 0.059 nan 8.290 nan 0.000 0.453 565 L N 0.188 121.414 121.223 0.004 0.000 2.168 565 L HA 0.057 4.395 4.340 -0.003 0.000 0.203 565 L C 2.378 179.189 176.870 -0.100 0.000 1.078 565 L CA 0.527 55.354 54.840 -0.021 0.000 0.780 565 L CB 0.003 42.087 42.059 0.041 0.000 0.939 565 L HN 0.222 nan 8.230 nan 0.000 0.451 566 M N 0.118 119.638 119.600 -0.135 0.000 2.123 566 M HA -0.008 4.470 4.480 -0.003 0.000 0.263 566 M C -0.206 175.941 176.300 -0.255 0.000 1.069 566 M CA 1.450 56.564 55.300 -0.311 0.000 1.133 566 M CB -2.247 29.969 32.600 -0.639 0.000 1.356 566 M HN 0.035 nan 8.290 nan 0.000 0.415 567 P HA -0.135 nan 4.420 nan 0.000 0.216 567 P C -1.369 175.849 177.300 -0.137 0.000 1.157 567 P CA 1.911 64.952 63.100 -0.099 0.000 0.880 567 P CB -1.491 30.180 31.700 -0.048 0.000 0.791 568 P HA -0.088 nan 4.420 nan 0.000 0.218 568 P C 1.658 178.758 177.300 -0.333 0.000 1.149 568 P CA 1.103 63.995 63.100 -0.347 0.000 0.817 568 P CB -0.460 30.864 31.700 -0.627 0.000 0.785 569 L N -0.986 120.082 121.223 -0.258 0.000 1.994 569 L HA -0.147 4.192 4.340 -0.003 0.000 0.208 569 L C 2.266 179.169 176.870 0.055 0.000 1.071 569 L CA 1.323 56.127 54.840 -0.060 0.000 0.745 569 L CB -0.914 41.135 42.059 -0.017 0.000 0.892 569 L HN -0.068 nan 8.230 nan 0.000 0.431 570 I N -0.007 120.533 120.570 -0.050 0.000 2.335 570 I HA -0.324 3.844 4.170 -0.003 0.000 0.251 570 I C 2.547 178.732 176.117 0.113 0.000 1.129 570 I CA 1.442 62.732 61.300 -0.017 0.000 1.402 570 I CB -1.162 36.750 38.000 -0.146 0.000 1.069 570 I HN 0.487 nan 8.210 nan 0.000 0.424 571 Q N 1.494 121.323 119.800 0.048 0.000 2.002 571 Q HA -0.222 4.116 4.340 -0.003 0.000 0.204 571 Q C 2.123 178.206 176.000 0.138 0.000 0.988 571 Q CA 1.882 57.726 55.803 0.068 0.000 0.843 571 Q CB 0.055 28.795 28.738 0.003 0.000 0.908 571 Q HN 0.263 nan 8.270 nan 0.000 0.420 572 K N 0.062 120.558 120.400 0.160 0.000 2.209 572 K HA -0.166 4.152 4.320 -0.003 0.000 0.204 572 K C 1.750 178.495 176.600 0.242 0.000 1.048 572 K CA 0.949 57.375 56.287 0.230 0.000 0.940 572 K CB -0.584 32.124 32.500 0.346 0.000 0.729 572 K HN 0.539 nan 8.250 nan 0.000 0.451 573 W N 2.800 124.140 121.300 0.066 0.000 2.353 573 W HA -0.209 4.449 4.660 -0.003 0.000 0.319 573 W C 1.061 177.606 176.519 0.043 0.000 1.207 573 W CA 1.750 59.126 57.345 0.051 0.000 1.291 573 W CB -0.547 28.938 29.460 0.042 0.000 1.159 573 W HN 0.133 nan 8.180 nan 0.000 0.478 574 N N 0.143 119.068 118.700 0.375 0.000 2.331 574 N HA -0.135 4.603 4.740 -0.003 0.000 0.180 574 N C 1.806 177.372 175.510 0.093 0.000 1.019 574 N CA 1.687 54.878 53.050 0.235 0.000 0.881 574 N CB -0.632 37.999 38.487 0.240 0.000 0.972 574 N HN 0.078 nan 8.380 nan 0.000 0.435 575 M N 0.179 119.833 119.600 0.090 0.000 2.700 575 M HA 0.024 4.502 4.480 -0.003 0.000 0.249 575 M C -0.409 175.901 176.300 0.016 0.000 1.082 575 M CA 0.688 56.021 55.300 0.056 0.000 1.077 575 M CB 0.080 32.727 32.600 0.078 0.000 1.477 575 M HN 0.059 nan 8.290 nan 0.000 0.529 576 L N 1.826 123.031 121.223 -0.030 0.000 2.276 576 L HA 0.295 4.633 4.340 -0.003 0.000 0.286 576 L C 0.255 177.044 176.870 -0.135 0.000 1.024 576 L CA -0.802 53.983 54.840 -0.091 0.000 0.826 576 L CB 0.976 42.950 42.059 -0.142 0.000 1.211 576 L HN 0.171 nan 8.230 nan 0.000 0.422 577 K N 0.557 120.900 120.400 -0.095 0.000 2.187 577 K HA 0.081 4.399 4.320 -0.003 0.000 0.247 577 K C -0.118 176.403 176.600 -0.131 0.000 1.019 577 K CA -0.444 55.785 56.287 -0.096 0.000 0.893 577 K CB 0.913 33.372 32.500 -0.068 0.000 1.025 577 K HN 0.312 nan 8.250 nan 0.000 0.500 578 D N 0.467 120.785 120.400 -0.136 0.000 2.378 578 D HA -0.043 4.595 4.640 -0.003 0.000 0.227 578 D C 0.520 176.670 176.300 -0.250 0.000 1.012 578 D CA 0.807 54.700 54.000 -0.178 0.000 0.905 578 D CB 0.245 40.946 40.800 -0.165 0.000 0.895 578 D HN 0.546 nan 8.370 nan 0.000 0.532 579 E N -0.230 119.863 120.200 -0.177 0.000 2.431 579 E HA 0.088 4.436 4.350 -0.003 0.000 0.200 579 E C -0.201 176.409 176.600 0.017 0.000 0.995 579 E CA -0.069 56.227 56.400 -0.173 0.000 0.915 579 E CB 0.294 29.925 29.700 -0.115 0.000 0.930 579 E HN 0.162 nan 8.360 nan 0.000 0.496 580 D N 1.107 121.500 120.400 -0.012 0.000 2.586 580 D HA -0.091 4.547 4.640 -0.003 0.000 0.234 580 D C 1.056 177.307 176.300 -0.082 0.000 1.132 580 D CA 0.575 54.552 54.000 -0.038 0.000 0.860 580 D CB 0.671 41.414 40.800 -0.095 0.000 1.159 580 D HN -0.174 nan 8.370 nan 0.000 0.490 581 K N 2.200 122.514 120.400 -0.143 0.000 2.400 581 K HA -0.063 4.255 4.320 -0.003 0.000 0.194 581 K C 0.138 176.409 176.600 -0.547 0.000 1.033 581 K CA 0.604 56.671 56.287 -0.366 0.000 1.021 581 K CB 0.226 32.688 32.500 -0.063 0.000 0.808 581 K HN 0.594 nan 8.250 nan 0.000 0.505 582 D N -0.429 119.785 120.400 -0.310 0.000 2.388 582 D HA -0.018 4.620 4.640 -0.003 0.000 0.221 582 D C 1.586 177.721 176.300 -0.275 0.000 1.133 582 D CA -0.150 53.731 54.000 -0.199 0.000 0.831 582 D CB 0.058 40.881 40.800 0.039 0.000 0.962 582 D HN 0.016 nan 8.370 nan 0.000 0.502 583 L N -0.351 120.594 121.223 -0.463 0.000 2.017 583 L HA -0.101 4.237 4.340 -0.003 0.000 0.208 583 L C 1.599 178.265 176.870 -0.340 0.000 1.073 583 L CA 1.246 55.856 54.840 -0.383 0.000 0.745 583 L CB -0.244 41.613 42.059 -0.337 0.000 0.894 583 L HN 0.058 nan 8.230 nan 0.000 0.432 584 F N 0.035 119.860 119.950 -0.207 0.000 2.037 584 F HA -0.313 4.212 4.527 -0.003 0.000 0.296 584 F C -0.032 175.644 175.800 -0.206 0.000 1.132 584 F CA 1.331 59.207 58.000 -0.208 0.000 1.211 584 F CB -2.540 36.323 39.000 -0.229 0.000 0.951 584 F HN 0.141 nan 8.300 nan 0.000 0.503 585 P HA -0.277 nan 4.420 nan 0.000 0.222 585 P C 1.877 178.899 177.300 -0.463 0.000 1.159 585 P CA 1.765 64.737 63.100 -0.213 0.000 0.920 585 P CB -0.220 31.325 31.700 -0.259 0.000 0.793 586 L N -1.273 119.556 121.223 -0.657 0.000 1.989 586 L HA -0.192 4.146 4.340 -0.003 0.000 0.211 586 L C 2.382 179.203 176.870 -0.082 0.000 1.071 586 L CA 1.870 56.413 54.840 -0.496 0.000 0.749 586 L CB -1.100 40.803 42.059 -0.260 0.000 0.890 586 L HN -0.115 nan 8.230 nan 0.000 0.431 587 L N -0.854 120.356 121.223 -0.022 0.000 2.046 587 L HA -0.226 4.112 4.340 -0.003 0.000 0.208 587 L C 2.508 179.417 176.870 0.066 0.000 1.077 587 L CA 1.575 56.467 54.840 0.086 0.000 0.747 587 L CB -0.840 41.271 42.059 0.088 0.000 0.896 587 L HN 0.375 nan 8.230 nan 0.000 0.432 588 E N -0.002 120.214 120.200 0.026 0.000 2.070 588 E HA -0.281 4.067 4.350 -0.003 0.000 0.197 588 E C 2.359 178.988 176.600 0.049 0.000 1.004 588 E CA 2.061 58.477 56.400 0.027 0.000 0.805 588 E CB -0.288 29.421 29.700 0.016 0.000 0.744 588 E HN 0.735 nan 8.360 nan 0.000 0.451 589 C N -0.072 119.275 119.300 0.079 0.000 2.467 589 C HA 0.139 4.597 4.460 -0.003 0.000 0.279 589 C C 2.431 177.490 174.990 0.115 0.000 1.347 589 C CA -0.348 58.742 59.018 0.119 0.000 1.748 589 C CB -0.902 26.963 27.740 0.208 0.000 1.977 589 C HN 0.280 nan 8.230 nan 0.000 0.501 590 L N 2.445 123.746 121.223 0.131 0.000 2.127 590 L HA -0.105 4.233 4.340 -0.003 0.000 0.211 590 L C 2.750 179.642 176.870 0.038 0.000 1.089 590 L CA 2.147 57.070 54.840 0.138 0.000 0.757 590 L CB -0.483 41.712 42.059 0.226 0.000 0.899 590 L HN 0.459 nan 8.230 nan 0.000 0.434 591 S N -1.360 114.358 115.700 0.031 0.000 2.356 591 S HA -0.183 4.285 4.470 -0.003 0.000 0.223 591 S C 2.017 176.594 174.600 -0.039 0.000 1.032 591 S CA 1.557 59.747 58.200 -0.016 0.000 1.005 591 S CB -0.434 62.768 63.200 0.003 0.000 0.867 591 S HN 0.522 nan 8.310 nan 0.000 0.449 592 S N 1.213 116.910 115.700 -0.005 0.000 2.383 592 S HA -0.034 4.434 4.470 -0.003 0.000 0.227 592 S C 2.043 176.639 174.600 -0.007 0.000 1.026 592 S CA 0.961 59.158 58.200 -0.005 0.000 0.981 592 S CB -0.444 62.769 63.200 0.022 0.000 0.818 592 S HN 0.312 nan 8.310 nan 0.000 0.472 593 V N 2.180 122.103 119.914 0.015 0.000 2.244 593 V HA -0.169 3.949 4.120 -0.003 0.000 0.244 593 V C 2.724 178.790 176.094 -0.047 0.000 1.042 593 V CA 1.739 64.065 62.300 0.043 0.000 1.006 593 V CB -1.265 30.630 31.823 0.119 0.000 0.641 593 V HN 0.542 nan 8.190 nan 0.000 0.446 594 A N -0.599 122.049 122.820 -0.288 0.000 2.024 594 A HA -0.235 4.083 4.320 -0.003 0.000 0.220 594 A C 2.344 179.746 177.584 -0.302 0.000 1.164 594 A CA 2.495 54.097 52.037 -0.724 0.000 0.643 594 A CB -0.865 17.381 19.000 -1.257 0.000 0.806 594 A HN 0.539 nan 8.150 nan 0.000 0.451 595 T N -0.041 114.418 114.554 -0.158 0.000 2.668 595 T HA 0.036 4.384 4.350 -0.003 0.000 0.262 595 T C 2.243 176.936 174.700 -0.012 0.000 1.045 595 T CA 1.656 63.716 62.100 -0.066 0.000 1.152 595 T CB -0.404 68.432 68.868 -0.053 0.000 0.864 595 T HN 0.582 nan 8.240 nan 0.000 0.419 596 A N 0.479 123.290 122.820 -0.014 0.000 2.014 596 A HA 0.228 4.546 4.320 -0.003 0.000 0.218 596 A C 2.101 179.735 177.584 0.083 0.000 1.163 596 A CA 0.711 52.750 52.037 0.002 0.000 0.652 596 A CB -0.627 18.364 19.000 -0.016 0.000 0.808 596 A HN 0.474 nan 8.150 nan 0.000 0.449 597 L N -0.734 120.546 121.223 0.095 0.000 2.610 597 L HA -0.082 4.256 4.340 -0.003 0.000 0.232 597 L C 0.942 177.910 176.870 0.164 0.000 1.149 597 L CA 0.059 54.994 54.840 0.158 0.000 0.872 597 L CB -0.187 42.018 42.059 0.243 0.000 0.992 597 L HN 0.466 nan 8.230 nan 0.000 0.447 598 Q N -0.978 118.898 119.800 0.126 0.000 2.059 598 Q HA -0.374 3.964 4.340 -0.003 0.000 0.424 598 Q C 1.375 177.462 176.000 0.145 0.000 0.752 598 Q CA 2.056 57.929 55.803 0.117 0.000 0.867 598 Q CB -1.540 27.258 28.738 0.099 0.000 3.364 598 Q HN 0.388 nan 8.270 nan 0.000 0.848 599 S N 0.548 116.319 115.700 0.118 0.000 2.522 599 S HA 0.067 4.535 4.470 -0.003 0.000 0.227 599 S C 1.472 176.154 174.600 0.137 0.000 0.986 599 S CA 0.801 59.071 58.200 0.116 0.000 0.929 599 S CB -0.156 63.084 63.200 0.066 0.000 0.769 599 S HN 0.687 nan 8.310 nan 0.000 0.529 600 G N -0.046 108.848 108.800 0.157 0.000 2.776 600 G HA2 -0.069 3.889 3.960 -0.003 0.000 0.209 600 G HA3 -0.069 3.889 3.960 -0.003 0.000 0.209 600 G C 0.781 175.831 174.900 0.250 0.000 1.145 600 G CA 0.001 45.198 45.100 0.161 0.000 0.791 600 G HN 0.536 nan 8.290 nan 0.000 0.530 601 F N 0.185 120.217 119.950 0.136 0.000 2.746 601 F HA 0.360 4.885 4.527 -0.003 0.000 0.297 601 F C 2.132 178.028 175.800 0.159 0.000 1.113 601 F CA -0.221 57.911 58.000 0.220 0.000 1.367 601 F CB 0.203 39.297 39.000 0.157 0.000 1.111 601 F HN 0.003 nan 8.300 nan 0.000 0.590 602 L N 1.145 122.458 121.223 0.150 0.000 2.064 602 L HA -0.236 4.102 4.340 -0.003 0.000 0.216 602 L C -0.569 176.188 176.870 -0.190 0.000 1.077 602 L CA 1.611 56.459 54.840 0.015 0.000 0.766 602 L CB -1.847 40.215 42.059 0.005 0.000 0.890 602 L HN 0.093 nan 8.230 nan 0.000 0.435 603 P HA -0.186 nan 4.420 nan 0.000 0.222 603 P C 0.416 177.219 177.300 -0.829 0.000 1.142 603 P CA 1.567 64.244 63.100 -0.706 0.000 0.788 603 P CB -0.044 30.979 31.700 -1.128 0.000 0.767 604 Y N -3.111 116.948 120.300 -0.402 0.000 2.471 604 Y HA 0.117 4.665 4.550 -0.003 0.000 0.249 604 Y C 2.303 177.977 175.900 -0.376 0.000 1.116 604 Y CA -0.345 57.450 58.100 -0.509 0.000 1.240 604 Y CB -0.870 37.081 38.460 -0.847 0.000 1.251 604 Y HN 0.090 nan 8.280 nan 0.000 0.527 605 C N -0.867 118.391 119.300 -0.069 0.000 2.505 605 C HA 0.023 4.481 4.460 -0.003 0.000 0.279 605 C C 2.146 177.219 174.990 0.137 0.000 1.316 605 C CA 0.403 59.520 59.018 0.165 0.000 1.720 605 C CB -0.633 27.295 27.740 0.313 0.000 2.050 605 C HN 0.465 nan 8.230 nan 0.000 0.493 606 E N 2.204 122.434 120.200 0.049 0.000 2.169 606 E HA -0.194 4.154 4.350 -0.003 0.000 0.202 606 E C -0.298 176.364 176.600 0.103 0.000 1.016 606 E CA 2.242 58.674 56.400 0.053 0.000 0.817 606 E CB -0.712 28.987 29.700 -0.003 0.000 0.736 606 E HN 0.677 nan 8.360 nan 0.000 0.462 607 P HA -0.054 nan 4.420 nan 0.000 0.214 607 P C 1.746 179.158 177.300 0.187 0.000 1.167 607 P CA 0.776 63.941 63.100 0.108 0.000 0.882 607 P CB -0.154 31.565 31.700 0.031 0.000 0.777 608 V N -0.170 119.807 119.914 0.105 0.000 2.278 608 V HA -0.304 3.814 4.120 -0.003 0.000 0.251 608 V C 2.672 178.973 176.094 0.345 0.000 1.062 608 V CA 2.285 64.710 62.300 0.208 0.000 1.038 608 V CB -1.596 30.284 31.823 0.096 0.000 0.646 608 V HN 0.009 nan 8.190 nan 0.000 0.447 609 Y N 0.821 121.234 120.300 0.188 0.000 2.053 609 Y HA -0.365 4.183 4.550 -0.003 0.000 0.277 609 Y C 2.776 178.764 175.900 0.146 0.000 1.159 609 Y CA 2.550 60.744 58.100 0.158 0.000 1.125 609 Y CB -0.393 38.138 38.460 0.118 0.000 0.969 609 Y HN 0.237 nan 8.280 nan 0.000 0.492 610 Q N 0.340 120.334 119.800 0.324 0.000 2.181 610 Q HA -0.231 4.107 4.340 -0.003 0.000 0.205 610 Q C 2.291 178.364 176.000 0.121 0.000 0.980 610 Q CA 1.969 57.892 55.803 0.201 0.000 0.862 610 Q CB -0.325 28.544 28.738 0.219 0.000 0.905 610 Q HN 0.414 nan 8.270 nan 0.000 0.429 611 R N -1.031 119.590 120.500 0.202 0.000 2.092 611 R HA -0.060 4.278 4.340 -0.003 0.000 0.231 611 R C 2.056 178.429 176.300 0.121 0.000 1.119 611 R CA 1.814 58.044 56.100 0.215 0.000 0.970 611 R CB -1.034 29.549 30.300 0.471 0.000 0.864 611 R HN 0.388 nan 8.270 nan 0.000 0.440 612 C N -0.402 118.958 119.300 0.100 0.000 2.446 612 C HA -0.027 4.431 4.460 -0.003 0.000 0.277 612 C C 2.630 177.579 174.990 -0.067 0.000 1.275 612 C CA 0.868 59.897 59.018 0.019 0.000 1.727 612 C CB -0.710 27.030 27.740 -0.000 0.000 2.010 612 C HN 0.574 nan 8.230 nan 0.000 0.486 613 V N -0.082 119.736 119.914 -0.159 0.000 2.626 613 V HA -0.120 3.998 4.120 -0.003 0.000 0.252 613 V C 2.013 178.077 176.094 -0.050 0.000 1.067 613 V CA 2.289 64.504 62.300 -0.140 0.000 1.081 613 V CB -0.920 30.792 31.823 -0.186 0.000 0.686 613 V HN 0.560 nan 8.190 nan 0.000 0.468 614 N N 0.254 118.940 118.700 -0.023 0.000 2.270 614 N HA -0.013 4.725 4.740 -0.003 0.000 0.181 614 N C 1.687 177.180 175.510 -0.027 0.000 1.016 614 N CA 1.513 54.556 53.050 -0.012 0.000 0.870 614 N CB -0.063 38.428 38.487 0.007 0.000 0.979 614 N HN 0.490 nan 8.380 nan 0.000 0.431 615 L N 0.543 121.753 121.223 -0.022 0.000 1.970 615 L HA -0.177 4.161 4.340 -0.003 0.000 0.212 615 L C 2.467 179.327 176.870 -0.016 0.000 1.071 615 L CA 1.056 55.880 54.840 -0.027 0.000 0.751 615 L CB -0.806 41.272 42.059 0.033 0.000 0.889 615 L HN -0.095 nan 8.230 nan 0.000 0.432 616 V N -0.664 119.249 119.914 -0.001 0.000 2.231 616 V HA -0.435 3.683 4.120 -0.003 0.000 0.250 616 V C 2.518 178.607 176.094 -0.007 0.000 1.058 616 V CA 2.272 64.573 62.300 0.001 0.000 1.022 616 V CB -0.683 31.136 31.823 -0.007 0.000 0.640 616 V HN 0.526 nan 8.190 nan 0.000 0.445 617 Q N 0.073 119.865 119.800 -0.012 0.000 2.047 617 Q HA -0.341 3.997 4.340 -0.003 0.000 0.211 617 Q C 2.339 178.324 176.000 -0.025 0.000 1.005 617 Q CA 2.851 58.647 55.803 -0.012 0.000 0.866 617 Q CB -0.315 28.417 28.738 -0.011 0.000 0.938 617 Q HN 0.665 nan 8.270 nan 0.000 0.414 618 K N -1.086 119.289 120.400 -0.042 0.000 2.103 618 K HA -0.141 4.177 4.320 -0.003 0.000 0.207 618 K C 1.825 178.385 176.600 -0.067 0.000 1.048 618 K CA 1.847 58.095 56.287 -0.066 0.000 0.930 618 K CB -0.135 32.310 32.500 -0.092 0.000 0.716 618 K HN 0.207 nan 8.250 nan 0.000 0.444 619 T N 1.490 116.015 114.554 -0.049 0.000 2.777 619 T HA -0.058 4.290 4.350 -0.003 0.000 0.266 619 T C 1.760 176.451 174.700 -0.015 0.000 1.040 619 T CA 1.337 63.420 62.100 -0.029 0.000 1.141 619 T CB -0.122 68.753 68.868 0.012 0.000 0.868 619 T HN 0.146 nan 8.240 nan 0.000 0.444 620 L N 0.852 122.070 121.223 -0.009 0.000 2.093 620 L HA -0.038 4.300 4.340 -0.003 0.000 0.208 620 L C 3.044 179.909 176.870 -0.010 0.000 1.085 620 L CA 1.085 55.925 54.840 0.000 0.000 0.755 620 L CB -0.679 41.387 42.059 0.011 0.000 0.904 620 L HN 0.228 nan 8.230 nan 0.000 0.435 621 A N -0.557 122.247 122.820 -0.027 0.000 1.908 621 A HA -0.299 4.019 4.320 -0.003 0.000 0.218 621 A C 2.255 179.801 177.584 -0.064 0.000 1.181 621 A CA 1.896 53.906 52.037 -0.046 0.000 0.627 621 A CB -0.560 18.402 19.000 -0.063 0.000 0.818 621 A HN 0.456 nan 8.150 nan 0.000 0.445 622 Q N -0.871 118.889 119.800 -0.067 0.000 2.030 622 Q HA -0.161 4.177 4.340 -0.003 0.000 0.204 622 Q C 2.389 178.379 176.000 -0.017 0.000 0.986 622 Q CA 1.788 57.551 55.803 -0.066 0.000 0.843 622 Q CB -0.356 28.350 28.738 -0.052 0.000 0.904 622 Q HN 0.670 nan 8.270 nan 0.000 0.420 623 A N 0.697 123.517 122.820 0.001 0.000 1.877 623 A HA -0.236 4.082 4.320 -0.003 0.000 0.216 623 A C 2.045 179.645 177.584 0.027 0.000 1.186 623 A CA 1.628 53.678 52.037 0.021 0.000 0.620 623 A CB -0.756 18.256 19.000 0.020 0.000 0.822 623 A HN 0.566 nan 8.150 nan 0.000 0.443 624 M N -0.329 119.282 119.600 0.018 0.000 2.073 624 M HA -0.180 4.298 4.480 -0.003 0.000 0.258 624 M C 2.050 178.374 176.300 0.040 0.000 1.070 624 M CA 1.987 57.302 55.300 0.025 0.000 1.103 624 M CB -0.424 32.184 32.600 0.014 0.000 1.321 624 M HN 0.433 nan 8.290 nan 0.000 0.405 625 L N 0.072 121.315 121.223 0.033 0.000 2.127 625 L HA -0.266 4.072 4.340 -0.003 0.000 0.211 625 L C 2.493 179.465 176.870 0.169 0.000 1.089 625 L CA 1.665 56.561 54.840 0.092 0.000 0.757 625 L CB -1.071 40.976 42.059 -0.019 0.000 0.899 625 L HN 0.592 nan 8.230 nan 0.000 0.434 626 N N 0.296 119.068 118.700 0.120 0.000 2.171 626 N HA -0.203 4.535 4.740 -0.003 0.000 0.184 626 N C 1.364 176.921 175.510 0.078 0.000 1.021 626 N CA 0.709 53.829 53.050 0.117 0.000 0.854 626 N CB -0.029 38.512 38.487 0.090 0.000 0.994 626 N HN 0.226 nan 8.380 nan 0.000 0.426 627 N N 0.366 119.102 118.700 0.061 0.000 2.585 627 N HA 0.005 4.743 4.740 -0.003 0.000 0.213 627 N C 0.042 175.581 175.510 0.049 0.000 1.385 627 N CA 0.349 53.427 53.050 0.047 0.000 0.871 627 N CB 0.133 38.644 38.487 0.039 0.000 1.154 627 N HN 0.444 nan 8.380 nan 0.000 0.474 628 A N -0.813 122.044 122.820 0.061 0.000 1.570 628 A HA 0.186 4.504 4.320 -0.003 0.000 0.212 628 A C 0.391 178.007 177.584 0.052 0.000 1.855 628 A CA -0.126 51.946 52.037 0.059 0.000 1.415 628 A CB 0.562 19.605 19.000 0.073 0.000 1.376 628 A HN 0.240 nan 8.150 nan 0.000 0.370 629 Q N 0.121 119.962 119.800 0.069 0.000 3.075 629 Q HA 0.228 4.566 4.340 -0.003 0.000 0.318 629 Q C -2.274 173.726 176.000 -0.000 0.000 0.907 629 Q CA -1.627 54.183 55.803 0.012 0.000 0.882 629 Q CB 1.694 30.406 28.738 -0.044 0.000 1.386 629 Q HN 0.294 nan 8.270 nan 0.000 0.408 630 P HA -0.204 nan 4.420 nan 0.000 0.216 630 P C 0.898 178.191 177.300 -0.013 0.000 1.150 630 P CA 1.341 64.451 63.100 0.018 0.000 0.837 630 P CB 0.144 31.855 31.700 0.019 0.000 0.786 631 D N -1.424 118.956 120.400 -0.034 0.000 2.384 631 D HA -0.170 4.468 4.640 -0.003 0.000 0.222 631 D C 1.420 177.659 176.300 -0.101 0.000 0.976 631 D CA 1.040 55.009 54.000 -0.052 0.000 0.915 631 D CB -0.226 40.547 40.800 -0.046 0.000 0.896 631 D HN 0.258 nan 8.370 nan 0.000 0.523 632 Q N -0.789 118.910 119.800 -0.168 0.000 2.546 632 Q HA 0.108 4.446 4.340 -0.003 0.000 0.203 632 Q C 0.058 175.856 176.000 -0.337 0.000 0.740 632 Q CA 0.266 55.863 55.803 -0.343 0.000 0.879 632 Q CB 0.535 28.915 28.738 -0.597 0.000 1.265 632 Q HN 0.365 nan 8.270 nan 0.000 0.585 633 Y N 2.930 123.233 120.300 0.006 0.000 2.335 633 Y HA 0.186 4.734 4.550 -0.003 0.000 0.339 633 Y C 0.831 176.736 175.900 0.008 0.000 0.987 633 Y CA -0.993 57.110 58.100 0.005 0.000 1.140 633 Y CB 0.941 39.403 38.460 0.003 0.000 1.173 633 Y HN 0.086 nan 8.280 nan 0.000 0.486 634 E N 2.265 122.564 120.200 0.165 0.000 2.391 634 E HA 0.479 4.827 4.350 -0.003 0.000 0.255 634 E C -0.358 176.296 176.600 0.091 0.000 1.187 634 E CA -0.773 55.686 56.400 0.098 0.000 0.941 634 E CB 0.846 30.591 29.700 0.075 0.000 1.010 634 E HN 0.626 nan 8.360 nan 0.000 0.458 635 A N 1.829 124.689 122.820 0.067 0.000 2.425 635 A HA 0.297 4.615 4.320 -0.003 0.000 0.242 635 A C -1.799 175.819 177.584 0.056 0.000 1.077 635 A CA -0.987 51.085 52.037 0.058 0.000 0.781 635 A CB -0.409 18.621 19.000 0.050 0.000 1.020 635 A HN 0.634 nan 8.150 nan 0.000 0.494 636 P HA 0.226 nan 4.420 nan 0.000 0.279 636 P C -1.031 176.325 177.300 0.093 0.000 1.282 636 P CA -0.216 62.917 63.100 0.056 0.000 0.788 636 P CB 0.520 32.244 31.700 0.040 0.000 1.139 637 D N -0.662 119.831 120.400 0.155 0.000 2.473 637 D HA 0.134 4.772 4.640 -0.003 0.000 0.226 637 D C 0.841 177.282 176.300 0.235 0.000 1.089 637 D CA -0.386 53.745 54.000 0.219 0.000 0.883 637 D CB 0.289 41.305 40.800 0.360 0.000 1.029 637 D HN 0.088 nan 8.370 nan 0.000 0.517 638 K N 1.660 122.129 120.400 0.114 0.000 2.280 638 K HA -0.108 4.210 4.320 -0.003 0.000 0.202 638 K C 1.128 177.754 176.600 0.044 0.000 1.047 638 K CA 0.542 56.875 56.287 0.076 0.000 0.942 638 K CB 0.234 32.748 32.500 0.024 0.000 0.739 638 K HN 0.447 nan 8.250 nan 0.000 0.457 639 D N 0.103 120.488 120.400 -0.025 0.000 2.354 639 D HA -0.134 4.504 4.640 -0.003 0.000 0.216 639 D C 1.241 177.384 176.300 -0.262 0.000 0.970 639 D CA 0.939 54.796 54.000 -0.239 0.000 0.905 639 D CB 0.067 40.612 40.800 -0.425 0.000 0.903 639 D HN 0.179 nan 8.370 nan 0.000 0.508 640 F N -0.247 119.732 119.950 0.048 0.000 2.293 640 F HA 0.006 4.531 4.527 -0.003 0.000 0.297 640 F C 2.523 178.369 175.800 0.078 0.000 1.089 640 F CA 0.472 58.595 58.000 0.206 0.000 1.377 640 F CB 0.032 39.141 39.000 0.182 0.000 1.051 640 F HN -0.112 nan 8.300 nan 0.000 0.511 641 M N -0.315 119.406 119.600 0.201 0.000 2.081 641 M HA -0.156 4.322 4.480 -0.003 0.000 0.261 641 M C 2.169 178.490 176.300 0.036 0.000 1.075 641 M CA 1.617 56.973 55.300 0.094 0.000 1.133 641 M CB -0.414 32.215 32.600 0.048 0.000 1.330 641 M HN 0.042 nan 8.290 nan 0.000 0.414 642 I N -0.238 120.324 120.570 -0.013 0.000 2.178 642 I HA -0.442 3.726 4.170 -0.003 0.000 0.243 642 I C 2.111 178.202 176.117 -0.043 0.000 1.019 642 I CA 1.957 63.222 61.300 -0.057 0.000 1.294 642 I CB -0.728 37.204 38.000 -0.114 0.000 0.996 642 I HN 0.167 nan 8.210 nan 0.000 0.415 643 V N 0.595 120.487 119.914 -0.036 0.000 2.244 643 V HA -0.295 3.823 4.120 -0.003 0.000 0.244 643 V C 2.676 178.799 176.094 0.049 0.000 1.042 643 V CA 1.985 64.290 62.300 0.007 0.000 1.006 643 V CB -1.399 30.466 31.823 0.069 0.000 0.641 643 V HN 0.554 nan 8.190 nan 0.000 0.446 644 A N -0.054 122.815 122.820 0.082 0.000 1.958 644 A HA -0.228 4.090 4.320 -0.003 0.000 0.221 644 A C 2.271 179.873 177.584 0.029 0.000 1.178 644 A CA 2.260 54.337 52.037 0.068 0.000 0.642 644 A CB -0.695 18.346 19.000 0.069 0.000 0.816 644 A HN 0.527 nan 8.150 nan 0.000 0.453 645 L N -0.934 120.297 121.223 0.014 0.000 2.072 645 L HA -0.151 4.187 4.340 -0.003 0.000 0.205 645 L C 2.088 178.962 176.870 0.007 0.000 1.079 645 L CA 1.330 56.169 54.840 -0.002 0.000 0.752 645 L CB -0.508 41.539 42.059 -0.020 0.000 0.906 645 L HN 0.289 nan 8.230 nan 0.000 0.436 646 D N -0.158 120.245 120.400 0.005 0.000 2.117 646 D HA -0.166 4.472 4.640 -0.003 0.000 0.198 646 D C 2.014 178.324 176.300 0.018 0.000 0.982 646 D CA 0.959 54.961 54.000 0.004 0.000 0.828 646 D CB -0.115 40.679 40.800 -0.010 0.000 0.967 646 D HN 0.094 nan 8.370 nan 0.000 0.464 647 L N 0.395 121.639 121.223 0.034 0.000 2.141 647 L HA -0.053 4.285 4.340 -0.003 0.000 0.209 647 L C 1.848 178.748 176.870 0.050 0.000 1.094 647 L CA 1.124 55.993 54.840 0.048 0.000 0.763 647 L CB -0.468 41.650 42.059 0.100 0.000 0.908 647 L HN -0.022 nan 8.230 nan 0.000 0.437 648 L N -0.833 120.416 121.223 0.044 0.000 2.291 648 L HA -0.043 4.295 4.340 -0.003 0.000 0.214 648 L C 2.418 179.335 176.870 0.079 0.000 1.120 648 L CA 1.694 56.562 54.840 0.047 0.000 0.799 648 L CB -0.585 41.465 42.059 -0.016 0.000 0.925 648 L HN 0.583 nan 8.230 nan 0.000 0.446 649 S N -2.860 112.877 115.700 0.061 0.000 2.540 649 S HA 0.154 4.622 4.470 -0.003 0.000 0.218 649 S C 1.878 176.510 174.600 0.053 0.000 0.977 649 S CA 0.147 58.393 58.200 0.076 0.000 0.918 649 S CB -0.137 63.114 63.200 0.085 0.000 0.806 649 S HN 0.308 nan 8.310 nan 0.000 0.496 650 G N 2.602 111.416 108.800 0.024 0.000 2.403 650 G HA2 0.033 3.991 3.960 -0.003 0.000 0.216 650 G HA3 0.033 3.991 3.960 -0.003 0.000 0.216 650 G C 1.326 176.197 174.900 -0.048 0.000 1.154 650 G CA 0.811 45.900 45.100 -0.019 0.000 0.784 650 G HN 0.501 nan 8.290 nan 0.000 0.538 651 L N 0.756 121.966 121.223 -0.023 0.000 2.007 651 L HA 0.089 4.427 4.340 -0.003 0.000 0.205 651 L C 3.243 180.143 176.870 0.050 0.000 1.073 651 L CA 1.007 55.840 54.840 -0.011 0.000 0.744 651 L CB -0.732 41.384 42.059 0.096 0.000 0.898 651 L HN 0.208 nan 8.230 nan 0.000 0.435 652 A N -0.524 122.352 122.820 0.093 0.000 2.245 652 A HA -0.233 4.085 4.320 -0.003 0.000 0.217 652 A C 2.132 179.774 177.584 0.097 0.000 1.171 652 A CA 1.769 53.870 52.037 0.106 0.000 0.688 652 A CB -0.550 18.527 19.000 0.129 0.000 0.781 652 A HN 0.574 nan 8.150 nan 0.000 0.479 653 E N -0.982 119.262 120.200 0.075 0.000 2.033 653 E HA 0.090 4.438 4.350 -0.003 0.000 0.197 653 E C 2.102 178.744 176.600 0.069 0.000 0.955 653 E CA 0.528 56.973 56.400 0.076 0.000 0.855 653 E CB -0.301 29.429 29.700 0.050 0.000 0.841 653 E HN 0.366 nan 8.360 nan 0.000 0.476 654 G N 0.565 109.394 108.800 0.048 0.000 2.534 654 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.217 654 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.217 654 G C 1.321 176.258 174.900 0.061 0.000 1.128 654 G CA 0.260 45.397 45.100 0.061 0.000 0.784 654 G HN 0.190 nan 8.290 nan 0.000 0.542 655 L N 0.332 121.588 121.223 0.055 0.000 2.375 655 L HA 0.333 4.671 4.340 -0.003 0.000 0.215 655 L C 2.074 178.982 176.870 0.064 0.000 1.108 655 L CA 1.188 56.072 54.840 0.073 0.000 0.830 655 L CB -0.504 41.607 42.059 0.087 0.000 0.959 655 L HN 0.367 nan 8.230 nan 0.000 0.457 656 G N -0.374 108.465 108.800 0.066 0.000 2.627 656 G HA2 -0.435 3.523 3.960 -0.003 0.000 0.312 656 G HA3 -0.435 3.523 3.960 -0.003 0.000 0.312 656 G C 1.157 176.093 174.900 0.060 0.000 1.299 656 G CA 0.354 45.494 45.100 0.067 0.000 0.989 656 G HN 0.543 nan 8.290 nan 0.000 0.547 657 G N -0.122 108.712 108.800 0.057 0.000 2.507 657 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.221 657 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.221 657 G C 1.535 176.458 174.900 0.040 0.000 1.119 657 G CA 1.681 46.814 45.100 0.057 0.000 0.751 657 G HN 0.866 nan 8.290 nan 0.000 0.574 658 N N 0.197 118.915 118.700 0.030 0.000 2.272 658 N HA -0.055 4.683 4.740 -0.003 0.000 0.185 658 N C 1.905 177.401 175.510 -0.024 0.000 1.014 658 N CA 0.541 53.597 53.050 0.010 0.000 0.870 658 N CB -0.067 38.431 38.487 0.019 0.000 0.975 658 N HN 0.193 nan 8.380 nan 0.000 0.433 659 I N 1.887 122.442 120.570 -0.024 0.000 2.423 659 I HA -0.240 3.928 4.170 -0.003 0.000 0.254 659 I C 2.061 178.081 176.117 -0.163 0.000 1.151 659 I CA 1.299 62.548 61.300 -0.086 0.000 1.421 659 I CB -1.120 36.867 38.000 -0.021 0.000 1.079 659 I HN 0.334 nan 8.210 nan 0.000 0.431 660 E N 1.031 121.160 120.200 -0.118 0.000 2.197 660 E HA -0.287 4.061 4.350 -0.003 0.000 0.205 660 E C 1.881 178.320 176.600 -0.267 0.000 1.029 660 E CA 1.415 57.684 56.400 -0.217 0.000 0.828 660 E CB -0.554 29.163 29.700 0.028 0.000 0.737 660 E HN 0.458 nan 8.360 nan 0.000 0.464 661 Q N 0.329 120.034 119.800 -0.158 0.000 1.948 661 Q HA -0.102 4.236 4.340 -0.003 0.000 0.205 661 Q C 2.472 178.343 176.000 -0.214 0.000 0.992 661 Q CA 1.827 57.547 55.803 -0.138 0.000 0.849 661 Q CB -0.497 28.178 28.738 -0.105 0.000 0.918 661 Q HN 0.402 nan 8.270 nan 0.000 0.421 662 L N -0.175 120.844 121.223 -0.340 0.000 2.131 662 L HA -0.113 4.226 4.340 -0.003 0.000 0.210 662 L C 2.486 179.071 176.870 -0.476 0.000 1.092 662 L CA 0.735 55.234 54.840 -0.568 0.000 0.759 662 L CB -0.881 40.463 42.059 -1.191 0.000 0.903 662 L HN -0.014 nan 8.230 nan 0.000 0.435 663 V N -0.212 119.483 119.914 -0.365 0.000 2.358 663 V HA -0.258 3.860 4.120 -0.003 0.000 0.246 663 V C 2.654 178.671 176.094 -0.128 0.000 1.047 663 V CA 1.691 63.906 62.300 -0.141 0.000 1.035 663 V CB -0.414 31.311 31.823 -0.164 0.000 0.658 663 V HN 0.479 nan 8.190 nan 0.000 0.452 664 A N -0.100 122.561 122.820 -0.266 0.000 1.841 664 A HA -0.164 4.154 4.320 -0.003 0.000 0.214 664 A C 2.018 179.618 177.584 0.027 0.000 1.195 664 A CA 1.416 53.407 52.037 -0.077 0.000 0.611 664 A CB -0.457 18.560 19.000 0.028 0.000 0.835 664 A HN 0.440 nan 8.150 nan 0.000 0.443 665 R N 0.572 121.075 120.500 0.005 0.000 3.385 665 R HA 0.147 4.485 4.340 -0.003 0.000 0.236 665 R C -0.328 176.019 176.300 0.077 0.000 1.663 665 R CA 0.633 56.755 56.100 0.037 0.000 1.444 665 R CB -0.414 29.898 30.300 0.022 0.000 1.218 665 R HN 0.594 nan 8.270 nan 0.000 0.575 666 S N -2.319 113.445 115.700 0.107 0.000 2.549 666 S HA 0.258 4.726 4.470 -0.003 0.000 0.280 666 S C 0.125 174.806 174.600 0.134 0.000 1.109 666 S CA -1.039 57.266 58.200 0.174 0.000 0.905 666 S CB 1.642 65.064 63.200 0.371 0.000 1.081 666 S HN 0.055 nan 8.310 nan 0.000 0.477 667 N N 0.415 119.182 118.700 0.112 0.000 2.515 667 N HA 0.031 4.769 4.740 -0.003 0.000 0.191 667 N C 1.155 176.724 175.510 0.098 0.000 1.182 667 N CA -0.070 53.032 53.050 0.087 0.000 0.879 667 N CB -0.751 37.773 38.487 0.062 0.000 0.984 667 N HN 0.719 nan 8.380 nan 0.000 0.453 668 I N 0.753 121.396 120.570 0.121 0.000 2.113 668 I HA -0.249 3.919 4.170 -0.003 0.000 0.242 668 I C 1.111 177.317 176.117 0.149 0.000 1.064 668 I CA 1.460 62.831 61.300 0.117 0.000 1.320 668 I CB -0.193 37.898 38.000 0.153 0.000 1.028 668 I HN 0.138 nan 8.210 nan 0.000 0.406 669 L N 0.345 121.676 121.223 0.181 0.000 2.873 669 L HA 0.026 4.364 4.340 -0.003 0.000 0.252 669 L C 0.779 177.802 176.870 0.256 0.000 1.266 669 L CA 0.449 55.448 54.840 0.265 0.000 1.111 669 L CB -1.003 41.211 42.059 0.259 0.000 1.440 669 L HN 0.319 nan 8.230 nan 0.000 0.427 670 T N -3.312 111.365 114.554 0.206 0.000 3.236 670 T HA 0.127 4.475 4.350 -0.003 0.000 0.265 670 T C 1.501 176.315 174.700 0.189 0.000 0.912 670 T CA -0.237 61.969 62.100 0.177 0.000 0.946 670 T CB 0.132 69.043 68.868 0.072 0.000 1.241 670 T HN 0.094 nan 8.240 nan 0.000 0.513 671 L N 1.255 122.561 121.223 0.138 0.000 2.131 671 L HA 0.033 4.371 4.340 -0.003 0.000 0.210 671 L C 2.699 179.643 176.870 0.123 0.000 1.092 671 L CA 1.010 55.913 54.840 0.105 0.000 0.759 671 L CB -0.665 41.432 42.059 0.062 0.000 0.903 671 L HN 0.222 nan 8.230 nan 0.000 0.435 672 M N -1.115 118.584 119.600 0.165 0.000 2.086 672 M HA -0.262 4.216 4.480 -0.003 0.000 0.261 672 M C 2.461 178.901 176.300 0.233 0.000 1.067 672 M CA 2.014 57.406 55.300 0.153 0.000 1.116 672 M CB -0.647 32.064 32.600 0.185 0.000 1.348 672 M HN 0.236 nan 8.290 nan 0.000 0.407 673 Y N 0.989 121.469 120.300 0.301 0.000 2.181 673 Y HA -0.259 4.289 4.550 -0.003 0.000 0.288 673 Y C 2.648 178.644 175.900 0.160 0.000 1.146 673 Y CA 1.535 59.840 58.100 0.342 0.000 1.164 673 Y CB 0.040 38.629 38.460 0.216 0.000 0.982 673 Y HN 0.225 nan 8.280 nan 0.000 0.515 674 Q N -0.706 119.304 119.800 0.349 0.000 2.079 674 Q HA -0.194 4.144 4.340 -0.003 0.000 0.200 674 Q C 2.450 178.498 176.000 0.080 0.000 0.974 674 Q CA 1.610 57.542 55.803 0.215 0.000 0.840 674 Q CB -0.822 28.003 28.738 0.145 0.000 0.898 674 Q HN 0.548 nan 8.270 nan 0.000 0.430 675 C N 0.076 119.395 119.300 0.031 0.000 2.432 675 C HA -0.049 4.409 4.460 -0.003 0.000 0.280 675 C C 2.617 177.515 174.990 -0.153 0.000 1.353 675 C CA 0.448 59.432 59.018 -0.056 0.000 1.766 675 C CB -0.883 26.817 27.740 -0.067 0.000 1.924 675 C HN 0.480 nan 8.230 nan 0.000 0.509 676 M N -0.190 119.305 119.600 -0.175 0.000 2.492 676 M HA -0.098 4.380 4.480 -0.003 0.000 0.262 676 M C 2.056 178.256 176.300 -0.166 0.000 1.090 676 M CA 1.208 56.327 55.300 -0.301 0.000 1.110 676 M CB -0.325 32.157 32.600 -0.197 0.000 1.407 676 M HN 0.432 nan 8.290 nan 0.000 0.470 677 Q N -0.090 119.656 119.800 -0.089 0.000 2.392 677 Q HA 0.021 4.359 4.340 -0.003 0.000 0.203 677 Q C 0.111 176.086 176.000 -0.041 0.000 0.917 677 Q CA -0.078 55.704 55.803 -0.034 0.000 0.939 677 Q CB 0.323 29.084 28.738 0.037 0.000 1.063 677 Q HN 0.349 nan 8.270 nan 0.000 0.516 678 D N 1.653 122.010 120.400 -0.070 0.000 2.533 678 D HA -0.099 4.539 4.640 -0.003 0.000 0.236 678 D C 0.746 177.002 176.300 -0.074 0.000 1.137 678 D CA 0.418 54.381 54.000 -0.063 0.000 0.867 678 D CB 0.828 41.579 40.800 -0.082 0.000 1.170 678 D HN 0.256 nan 8.370 nan 0.000 0.474 679 K N 3.246 123.620 120.400 -0.043 0.000 2.360 679 K HA -0.085 4.233 4.320 -0.003 0.000 0.201 679 K C 1.198 177.763 176.600 -0.058 0.000 1.046 679 K CA 0.446 56.707 56.287 -0.044 0.000 0.945 679 K CB 0.210 32.705 32.500 -0.010 0.000 0.750 679 K HN 0.374 nan 8.250 nan 0.000 0.464 680 M N 2.432 121.999 119.600 -0.056 0.000 2.216 680 M HA 0.115 4.593 4.480 -0.003 0.000 0.356 680 M C -1.934 174.309 176.300 -0.095 0.000 1.205 680 M CA -2.331 52.941 55.300 -0.048 0.000 1.122 680 M CB 1.300 33.882 32.600 -0.030 0.000 1.571 680 M HN -0.107 nan 8.290 nan 0.000 0.464 681 P HA -0.003 nan 4.420 nan 0.000 0.216 681 P C 0.574 177.832 177.300 -0.069 0.000 1.154 681 P CA 1.168 64.204 63.100 -0.106 0.000 0.857 681 P CB 0.163 31.879 31.700 0.027 0.000 0.787 682 E N 0.095 120.278 120.200 -0.028 0.000 2.187 682 E HA -0.133 4.215 4.350 -0.003 0.000 0.199 682 E C 2.038 178.590 176.600 -0.080 0.000 1.004 682 E CA 0.860 57.236 56.400 -0.040 0.000 0.813 682 E CB -1.502 28.172 29.700 -0.043 0.000 0.736 682 E HN 0.036 nan 8.360 nan 0.000 0.468 683 V N 0.808 120.663 119.914 -0.100 0.000 2.223 683 V HA -0.298 3.821 4.120 -0.003 0.000 0.244 683 V C 2.199 178.160 176.094 -0.221 0.000 1.045 683 V CA 2.212 64.434 62.300 -0.131 0.000 1.000 683 V CB -0.482 31.272 31.823 -0.115 0.000 0.635 683 V HN 0.248 nan 8.190 nan 0.000 0.445 684 R N -0.209 120.112 120.500 -0.299 0.000 2.105 684 R HA -0.255 4.083 4.340 -0.003 0.000 0.239 684 R C 2.385 178.341 176.300 -0.574 0.000 1.135 684 R CA 1.881 57.627 56.100 -0.591 0.000 0.967 684 R CB -0.545 29.437 30.300 -0.529 0.000 0.861 684 R HN 0.629 nan 8.270 nan 0.000 0.442 685 Q N 1.174 120.848 119.800 -0.210 0.000 2.045 685 Q HA -0.156 4.182 4.340 -0.003 0.000 0.206 685 Q C 0.892 176.868 176.000 -0.040 0.000 0.991 685 Q CA 2.158 57.941 55.803 -0.034 0.000 0.851 685 Q CB -0.020 28.722 28.738 0.006 0.000 0.911 685 Q HN 0.341 nan 8.270 nan 0.000 0.418 686 S N -0.807 114.842 115.700 -0.086 0.000 2.849 686 S HA 0.216 4.684 4.470 -0.003 0.000 0.244 686 S C 0.263 174.813 174.600 -0.083 0.000 1.297 686 S CA 0.124 58.294 58.200 -0.051 0.000 1.241 686 S CB 0.581 63.754 63.200 -0.044 0.000 0.958 686 S HN 0.397 nan 8.310 nan 0.000 0.489 687 S N -0.792 114.825 115.700 -0.138 0.000 2.348 687 S HA 0.256 4.724 4.470 -0.003 0.000 0.276 687 S C 0.845 175.377 174.600 -0.114 0.000 1.027 687 S CA -0.409 57.694 58.200 -0.162 0.000 1.386 687 S CB -1.048 61.994 63.200 -0.264 0.000 1.122 687 S HN 0.447 nan 8.310 nan 0.000 0.573 688 F N 2.680 122.601 119.950 -0.049 0.000 2.293 688 F HA 0.268 4.793 4.527 -0.003 0.000 0.297 688 F C 2.953 178.797 175.800 0.074 0.000 1.089 688 F CA 0.505 58.480 58.000 -0.041 0.000 1.377 688 F CB -0.140 38.854 39.000 -0.010 0.000 1.051 688 F HN 0.418 nan 8.300 nan 0.000 0.511 689 A N 0.792 123.782 122.820 0.284 0.000 1.845 689 A HA -0.185 4.133 4.320 -0.003 0.000 0.215 689 A C 2.158 179.907 177.584 0.274 0.000 1.195 689 A CA 1.254 53.481 52.037 0.317 0.000 0.616 689 A CB -1.143 17.947 19.000 0.150 0.000 0.832 689 A HN 0.389 nan 8.150 nan 0.000 0.443 690 L N -0.979 120.325 121.223 0.135 0.000 2.043 690 L HA -0.218 4.120 4.340 -0.003 0.000 0.212 690 L C 2.571 179.490 176.870 0.083 0.000 1.075 690 L CA 1.838 56.737 54.840 0.099 0.000 0.752 690 L CB -0.319 41.766 42.059 0.043 0.000 0.891 690 L HN 0.525 nan 8.230 nan 0.000 0.432 691 L N -0.056 121.185 121.223 0.029 0.000 1.956 691 L HA -0.167 4.171 4.340 -0.003 0.000 0.216 691 L C 2.354 179.192 176.870 -0.052 0.000 1.073 691 L CA 2.433 57.234 54.840 -0.065 0.000 0.762 691 L CB -1.272 40.695 42.059 -0.153 0.000 0.889 691 L HN 0.239 nan 8.230 nan 0.000 0.433 692 G N -1.225 107.524 108.800 -0.086 0.000 2.491 692 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.218 692 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.218 692 G C 1.354 176.199 174.900 -0.092 0.000 1.180 692 G CA 0.918 45.770 45.100 -0.415 0.000 0.774 692 G HN 0.482 nan 8.290 nan 0.000 0.562 693 D N 0.436 120.987 120.400 0.252 0.000 2.127 693 D HA -0.117 4.521 4.640 -0.003 0.000 0.190 693 D C 2.693 179.081 176.300 0.147 0.000 1.000 693 D CA 0.841 54.999 54.000 0.265 0.000 0.839 693 D CB -0.377 40.569 40.800 0.243 0.000 0.955 693 D HN 0.232 nan 8.370 nan 0.000 0.446 694 L N 0.773 122.068 121.223 0.120 0.000 2.013 694 L HA -0.210 4.128 4.340 -0.003 0.000 0.212 694 L C 2.642 179.589 176.870 0.127 0.000 1.073 694 L CA 1.429 56.340 54.840 0.117 0.000 0.753 694 L CB -0.869 41.257 42.059 0.113 0.000 0.890 694 L HN 0.100 nan 8.230 nan 0.000 0.432 695 T N 0.118 114.729 114.554 0.094 0.000 2.635 695 T HA -0.266 4.082 4.350 -0.003 0.000 0.267 695 T C 1.714 176.480 174.700 0.111 0.000 1.040 695 T CA 2.150 64.327 62.100 0.129 0.000 1.156 695 T CB -0.258 68.600 68.868 -0.016 0.000 0.863 695 T HN 0.486 nan 8.240 nan 0.000 0.430 696 K N 1.287 121.714 120.400 0.044 0.000 2.296 696 K HA 0.330 4.648 4.320 -0.003 0.000 0.200 696 K C 2.397 179.059 176.600 0.105 0.000 1.048 696 K CA 0.914 57.237 56.287 0.060 0.000 0.966 696 K CB -0.148 32.384 32.500 0.053 0.000 0.754 696 K HN 0.279 nan 8.250 nan 0.000 0.466 697 A N 1.325 124.216 122.820 0.119 0.000 1.930 697 A HA 0.005 4.323 4.320 -0.003 0.000 0.215 697 A C 1.512 179.172 177.584 0.127 0.000 1.176 697 A CA 0.862 52.968 52.037 0.114 0.000 0.632 697 A CB -0.291 18.774 19.000 0.108 0.000 0.819 697 A HN 0.712 nan 8.150 nan 0.000 0.445 698 C N -4.060 115.337 119.300 0.160 0.000 2.996 698 C HA 0.492 4.950 4.460 -0.003 0.000 0.221 698 C C 0.803 175.937 174.990 0.240 0.000 1.122 698 C CA -0.865 58.270 59.018 0.196 0.000 1.040 698 C CB -1.900 25.944 27.740 0.173 0.000 1.804 698 C HN 0.389 nan 8.230 nan 0.000 0.659 699 F N 3.339 123.344 119.950 0.092 0.000 2.307 699 F HA -0.174 4.351 4.527 -0.003 0.000 0.301 699 F C 2.627 178.476 175.800 0.082 0.000 1.076 699 F CA 2.449 60.496 58.000 0.078 0.000 1.383 699 F CB 0.165 39.191 39.000 0.044 0.000 1.055 699 F HN 0.698 nan 8.300 nan 0.000 0.526 700 Q N -0.822 118.986 119.800 0.014 0.000 2.173 700 Q HA -0.288 4.051 4.340 -0.003 0.000 0.208 700 Q C 1.537 177.386 176.000 -0.251 0.000 0.989 700 Q CA 2.241 57.968 55.803 -0.125 0.000 0.872 700 Q CB -1.270 27.450 28.738 -0.030 0.000 0.909 700 Q HN 0.563 nan 8.270 nan 0.000 0.420 701 H N -0.341 118.672 119.070 -0.096 0.000 2.520 701 H HA 0.131 4.685 4.556 -0.003 0.000 0.279 701 H C 2.255 177.534 175.328 -0.082 0.000 0.990 701 H CA 0.877 56.887 56.048 -0.064 0.000 1.288 701 H CB 0.719 30.483 29.762 0.002 0.000 1.446 701 H HN 0.110 nan 8.280 nan 0.000 0.538 702 V N 1.236 121.148 119.914 -0.003 0.000 2.488 702 V HA -0.183 3.935 4.120 -0.003 0.000 0.246 702 V C 2.503 178.526 176.094 -0.118 0.000 1.046 702 V CA 1.253 63.578 62.300 0.041 0.000 1.053 702 V CB -0.315 31.622 31.823 0.191 0.000 0.679 702 V HN 0.233 nan 8.190 nan 0.000 0.458 703 K N 0.636 120.672 120.400 -0.606 0.000 2.066 703 K HA -0.269 4.049 4.320 -0.003 0.000 0.221 703 K C -0.222 176.282 176.600 -0.159 0.000 1.056 703 K CA 2.682 58.611 56.287 -0.596 0.000 0.950 703 K CB -1.247 30.791 32.500 -0.771 0.000 0.726 703 K HN 0.400 nan 8.250 nan 0.000 0.456 704 P HA -0.105 nan 4.420 nan 0.000 0.219 704 P C 0.529 177.787 177.300 -0.070 0.000 1.146 704 P CA 1.069 64.126 63.100 -0.072 0.000 0.808 704 P CB 0.065 31.724 31.700 -0.068 0.000 0.779 705 C N -1.182 118.066 119.300 -0.088 0.000 2.578 705 C HA 0.138 4.596 4.460 -0.003 0.000 0.285 705 C C 2.327 177.177 174.990 -0.233 0.000 1.297 705 C CA -0.193 58.664 59.018 -0.268 0.000 1.690 705 C CB -2.044 25.411 27.740 -0.475 0.000 1.773 705 C HN 0.174 nan 8.230 nan 0.000 0.594 706 I N 1.924 122.496 120.570 0.004 0.000 2.133 706 I HA -0.146 4.022 4.170 -0.003 0.000 0.238 706 I C 2.715 178.812 176.117 -0.033 0.000 1.074 706 I CA 1.924 63.257 61.300 0.055 0.000 1.342 706 I CB -1.507 36.524 38.000 0.051 0.000 1.053 706 I HN 0.297 nan 8.210 nan 0.000 0.404 707 A N -0.038 122.799 122.820 0.029 0.000 2.178 707 A HA -0.202 4.116 4.320 -0.003 0.000 0.218 707 A C 1.858 179.499 177.584 0.095 0.000 1.157 707 A CA 1.660 53.783 52.037 0.144 0.000 0.689 707 A CB -0.534 18.601 19.000 0.224 0.000 0.787 707 A HN 0.385 nan 8.150 nan 0.000 0.465 708 D N -1.435 118.968 120.400 0.005 0.000 2.183 708 D HA 0.032 4.670 4.640 -0.003 0.000 0.205 708 D C 1.338 177.693 176.300 0.093 0.000 0.962 708 D CA 0.865 54.896 54.000 0.052 0.000 0.849 708 D CB -0.163 40.592 40.800 -0.074 0.000 0.978 708 D HN 0.405 nan 8.370 nan 0.000 0.488 709 F N 0.266 120.266 119.950 0.082 0.000 2.179 709 F HA 0.036 4.561 4.527 -0.003 0.000 0.292 709 F C 2.264 178.024 175.800 -0.066 0.000 1.089 709 F CA 0.383 58.373 58.000 -0.017 0.000 1.295 709 F CB -0.671 38.328 39.000 -0.002 0.000 1.041 709 F HN -0.132 nan 8.300 nan 0.000 0.487 710 M N 0.256 119.909 119.600 0.090 0.000 2.088 710 M HA -0.194 4.284 4.480 -0.003 0.000 0.256 710 M C -0.320 175.999 176.300 0.031 0.000 1.071 710 M CA 2.154 57.434 55.300 -0.034 0.000 1.097 710 M CB -2.594 29.867 32.600 -0.233 0.000 1.315 710 M HN -0.046 nan 8.290 nan 0.000 0.406 711 P HA -0.141 nan 4.420 nan 0.000 0.216 711 P C 1.703 179.032 177.300 0.049 0.000 1.150 711 P CA 1.154 64.303 63.100 0.082 0.000 0.843 711 P CB -0.284 31.480 31.700 0.106 0.000 0.787 712 I N -1.586 119.013 120.570 0.048 0.000 2.226 712 I HA -0.190 3.978 4.170 -0.003 0.000 0.245 712 I C 2.304 178.419 176.117 -0.003 0.000 1.100 712 I CA 1.591 62.915 61.300 0.040 0.000 1.374 712 I CB -1.547 36.477 38.000 0.040 0.000 1.057 712 I HN -0.003 nan 8.210 nan 0.000 0.413 713 L N 0.783 121.941 121.223 -0.108 0.000 2.005 713 L HA -0.063 4.275 4.340 -0.003 0.000 0.207 713 L C 2.825 179.586 176.870 -0.181 0.000 1.072 713 L CA 1.601 56.248 54.840 -0.322 0.000 0.744 713 L CB -1.337 40.510 42.059 -0.353 0.000 0.895 713 L HN 0.255 nan 8.230 nan 0.000 0.433 714 G N -0.085 108.666 108.800 -0.083 0.000 2.469 714 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.220 714 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.220 714 G C 1.705 176.598 174.900 -0.011 0.000 1.136 714 G CA 1.634 46.717 45.100 -0.029 0.000 0.759 714 G HN 0.482 nan 8.290 nan 0.000 0.562 715 T N -1.130 113.424 114.554 -0.001 0.000 2.737 715 T HA -0.066 4.282 4.350 -0.003 0.000 0.265 715 T C 1.918 176.624 174.700 0.010 0.000 1.038 715 T CA 1.126 63.236 62.100 0.017 0.000 1.144 715 T CB -0.296 68.591 68.868 0.031 0.000 0.866 715 T HN 0.176 nan 8.240 nan 0.000 0.434 716 N N 1.184 119.877 118.700 -0.011 0.000 2.551 716 N HA 0.144 4.882 4.740 -0.003 0.000 0.199 716 N C 0.610 176.106 175.510 -0.024 0.000 1.277 716 N CA 0.131 53.183 53.050 0.003 0.000 0.870 716 N CB -0.230 38.303 38.487 0.076 0.000 1.028 716 N HN 0.505 nan 8.380 nan 0.000 0.452 717 L N 0.218 121.427 121.223 -0.023 0.000 2.672 717 L HA 0.096 4.434 4.340 -0.003 0.000 0.236 717 L C 0.448 177.344 176.870 0.044 0.000 1.186 717 L CA -0.246 54.591 54.840 -0.004 0.000 0.977 717 L CB -0.614 41.434 42.059 -0.017 0.000 1.203 717 L HN -0.032 nan 8.230 nan 0.000 0.448 718 N N 1.594 120.339 118.700 0.074 0.000 2.406 718 N HA 0.039 4.777 4.740 -0.003 0.000 0.265 718 N C -1.243 174.360 175.510 0.156 0.000 1.203 718 N CA -1.031 52.091 53.050 0.120 0.000 0.945 718 N CB 0.860 39.442 38.487 0.158 0.000 1.165 718 N HN -0.037 nan 8.380 nan 0.000 0.485 719 P HA -0.116 nan 4.420 nan 0.000 0.230 719 P C 0.192 177.545 177.300 0.088 0.000 1.158 719 P CA 1.022 64.177 63.100 0.091 0.000 0.769 719 P CB 0.341 32.076 31.700 0.059 0.000 0.807 720 E N -0.925 119.333 120.200 0.097 0.000 2.347 720 E HA -0.047 4.301 4.350 -0.003 0.000 0.196 720 E C 0.185 176.710 176.600 -0.125 0.000 1.008 720 E CA 0.545 56.936 56.400 -0.014 0.000 0.852 720 E CB -0.257 29.416 29.700 -0.046 0.000 0.783 720 E HN 0.364 nan 8.360 nan 0.000 0.505 721 F N 1.212 121.180 119.950 0.030 0.000 2.759 721 F HA 0.081 4.606 4.527 -0.003 0.000 0.322 721 F C 1.118 176.937 175.800 0.033 0.000 1.199 721 F CA -0.700 57.319 58.000 0.032 0.000 1.272 721 F CB -0.697 38.331 39.000 0.045 0.000 1.467 721 F HN -0.120 nan 8.300 nan 0.000 0.561 722 I N -1.576 119.051 120.570 0.095 0.000 4.800 722 I HA -0.549 3.619 4.170 -0.003 0.000 0.053 722 I C 1.933 178.105 176.117 0.091 0.000 0.636 722 I CA 2.188 63.527 61.300 0.064 0.000 0.444 722 I CB -1.807 36.207 38.000 0.023 0.000 0.451 722 I HN 0.208 nan 8.210 nan 0.000 0.162 723 S N 0.200 115.959 115.700 0.099 0.000 2.388 723 S HA 0.110 4.578 4.470 -0.003 0.000 0.223 723 S C 2.012 176.692 174.600 0.132 0.000 1.034 723 S CA 0.928 59.180 58.200 0.087 0.000 0.963 723 S CB -0.446 62.788 63.200 0.057 0.000 0.827 723 S HN 0.446 nan 8.310 nan 0.000 0.481 724 V N 2.491 122.510 119.914 0.175 0.000 2.313 724 V HA -0.319 3.799 4.120 -0.003 0.000 0.253 724 V C 2.788 179.028 176.094 0.244 0.000 1.070 724 V CA 2.062 64.483 62.300 0.202 0.000 1.057 724 V CB -1.259 30.669 31.823 0.175 0.000 0.653 724 V HN 0.886 nan 8.190 nan 0.000 0.450 725 C N 0.078 119.491 119.300 0.188 0.000 2.504 725 C HA 0.057 4.515 4.460 -0.003 0.000 0.279 725 C C 2.633 177.677 174.990 0.091 0.000 1.358 725 C CA 0.623 59.714 59.018 0.121 0.000 1.747 725 C CB -1.188 26.620 27.740 0.113 0.000 2.037 725 C HN 0.622 nan 8.230 nan 0.000 0.503 726 N N 2.651 121.413 118.700 0.104 0.000 2.137 726 N HA -0.171 4.567 4.740 -0.003 0.000 0.190 726 N C 1.274 176.865 175.510 0.135 0.000 1.017 726 N CA 2.271 55.375 53.050 0.090 0.000 0.859 726 N CB -0.751 37.774 38.487 0.062 0.000 1.002 726 N HN 0.626 nan 8.380 nan 0.000 0.428 727 N N 0.711 119.516 118.700 0.174 0.000 2.062 727 N HA -0.019 4.720 4.740 -0.003 0.000 0.191 727 N C 1.730 177.379 175.510 0.231 0.000 1.042 727 N CA 1.807 55.025 53.050 0.279 0.000 0.845 727 N CB -1.038 37.640 38.487 0.317 0.000 1.024 727 N HN 0.363 nan 8.380 nan 0.000 0.424 728 A N 0.269 123.113 122.820 0.040 0.000 1.958 728 A HA -0.233 4.085 4.320 -0.003 0.000 0.221 728 A C 2.280 179.743 177.584 -0.202 0.000 1.178 728 A CA 2.430 54.237 52.037 -0.383 0.000 0.642 728 A CB -1.339 17.252 19.000 -0.681 0.000 0.816 728 A HN 0.410 nan 8.150 nan 0.000 0.453 729 T N -1.824 112.701 114.554 -0.049 0.000 2.643 729 T HA -0.204 4.144 4.350 -0.003 0.000 0.264 729 T C 1.476 176.197 174.700 0.036 0.000 1.045 729 T CA 1.506 63.600 62.100 -0.010 0.000 1.155 729 T CB -0.465 68.425 68.868 0.037 0.000 0.863 729 T HN 0.790 nan 8.240 nan 0.000 0.420 730 W N 2.506 123.775 121.300 -0.051 0.000 2.321 730 W HA -0.159 4.499 4.660 -0.003 0.000 0.306 730 W C 2.542 179.035 176.519 -0.044 0.000 1.217 730 W CA 1.332 58.657 57.345 -0.033 0.000 1.257 730 W CB -0.785 28.667 29.460 -0.014 0.000 1.145 730 W HN 0.278 nan 8.180 nan 0.000 0.509 731 A N 0.588 123.250 122.820 -0.264 0.000 1.892 731 A HA -0.240 4.078 4.320 -0.003 0.000 0.218 731 A C 2.060 179.392 177.584 -0.419 0.000 1.188 731 A CA 2.403 54.141 52.037 -0.498 0.000 0.631 731 A CB -1.197 17.640 19.000 -0.272 0.000 0.822 731 A HN 0.409 nan 8.150 nan 0.000 0.447 732 I N -0.096 120.306 120.570 -0.280 0.000 2.335 732 I HA -0.232 3.936 4.170 -0.003 0.000 0.251 732 I C 2.584 178.581 176.117 -0.200 0.000 1.129 732 I CA 1.086 62.258 61.300 -0.213 0.000 1.402 732 I CB -0.432 37.477 38.000 -0.151 0.000 1.069 732 I HN 0.406 nan 8.210 nan 0.000 0.424 733 G N 0.047 108.718 108.800 -0.215 0.000 2.422 733 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.218 733 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.218 733 G C 1.601 176.359 174.900 -0.237 0.000 1.146 733 G CA 0.472 45.471 45.100 -0.168 0.000 0.769 733 G HN 0.270 nan 8.290 nan 0.000 0.547 734 E N 0.435 120.380 120.200 -0.425 0.000 2.076 734 E HA 0.001 4.349 4.350 -0.003 0.000 0.190 734 E C 2.632 179.034 176.600 -0.331 0.000 0.979 734 E CA 0.281 56.441 56.400 -0.401 0.000 0.807 734 E CB -0.238 29.093 29.700 -0.615 0.000 0.761 734 E HN 0.485 nan 8.360 nan 0.000 0.454 735 I N 1.082 121.452 120.570 -0.333 0.000 2.163 735 I HA -0.306 3.862 4.170 -0.003 0.000 0.243 735 I C 2.629 178.562 176.117 -0.306 0.000 1.085 735 I CA 1.092 62.193 61.300 -0.331 0.000 1.347 735 I CB -0.423 37.443 38.000 -0.225 0.000 1.044 735 I HN 0.014 nan 8.210 nan 0.000 0.408 736 S N 0.817 116.397 115.700 -0.200 0.000 2.401 736 S HA -0.275 4.193 4.470 -0.003 0.000 0.236 736 S C 2.075 176.612 174.600 -0.106 0.000 1.058 736 S CA 2.090 60.222 58.200 -0.113 0.000 1.151 736 S CB -0.420 62.742 63.200 -0.064 0.000 1.049 736 S HN 0.334 nan 8.310 nan 0.000 0.432 737 I N 1.124 121.633 120.570 -0.102 0.000 2.142 737 I HA -0.191 3.977 4.170 -0.003 0.000 0.240 737 I C 2.771 178.810 176.117 -0.130 0.000 1.078 737 I CA 1.376 62.647 61.300 -0.048 0.000 1.343 737 I CB -0.427 37.561 38.000 -0.021 0.000 1.046 737 I HN 0.418 nan 8.210 nan 0.000 0.405 738 Q N -0.287 119.330 119.800 -0.306 0.000 2.226 738 Q HA -0.170 4.168 4.340 -0.003 0.000 0.204 738 Q C 2.159 177.827 176.000 -0.554 0.000 0.975 738 Q CA 1.166 56.662 55.803 -0.511 0.000 0.866 738 Q CB -0.020 28.148 28.738 -0.951 0.000 0.915 738 Q HN 0.516 nan 8.270 nan 0.000 0.440 739 M N -0.940 118.404 119.600 -0.427 0.000 2.236 739 M HA 0.013 4.491 4.480 -0.003 0.000 0.266 739 M C 1.273 177.565 176.300 -0.013 0.000 1.070 739 M CA 1.255 56.471 55.300 -0.139 0.000 1.137 739 M CB -0.884 31.678 32.600 -0.062 0.000 1.378 739 M HN 0.245 nan 8.290 nan 0.000 0.426 740 G N 1.242 110.023 108.800 -0.031 0.000 2.569 740 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.259 740 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.259 740 G C 0.700 175.603 174.900 0.005 0.000 1.263 740 G CA 0.135 45.231 45.100 -0.006 0.000 0.928 740 G HN 0.452 nan 8.290 nan 0.000 0.572 741 I N 1.135 121.703 120.570 -0.003 0.000 2.236 741 I HA -0.196 3.972 4.170 -0.003 0.000 0.249 741 I C 2.502 178.638 176.117 0.032 0.000 1.102 741 I CA 2.842 64.142 61.300 -0.000 0.000 1.365 741 I CB -0.275 37.718 38.000 -0.011 0.000 1.051 741 I HN 0.696 nan 8.210 nan 0.000 0.420 742 E N 0.054 120.290 120.200 0.059 0.000 2.455 742 E HA -0.242 4.106 4.350 -0.003 0.000 0.202 742 E C 1.962 178.665 176.600 0.171 0.000 1.045 742 E CA 0.700 57.161 56.400 0.102 0.000 0.872 742 E CB -0.164 29.615 29.700 0.131 0.000 0.792 742 E HN 0.498 nan 8.360 nan 0.000 0.542 743 M N 0.564 120.252 119.600 0.147 0.000 2.213 743 M HA -0.179 4.299 4.480 -0.003 0.000 0.263 743 M C 2.093 178.513 176.300 0.201 0.000 1.062 743 M CA 1.309 56.742 55.300 0.222 0.000 1.105 743 M CB -0.616 32.045 32.600 0.102 0.000 1.385 743 M HN 0.165 nan 8.290 nan 0.000 0.417 744 Q N 0.317 120.160 119.800 0.072 0.000 2.129 744 Q HA -0.242 4.096 4.340 -0.003 0.000 0.218 744 Q C -0.858 175.104 176.000 -0.063 0.000 1.040 744 Q CA 2.852 58.656 55.803 0.002 0.000 0.913 744 Q CB -1.898 26.830 28.738 -0.017 0.000 1.030 744 Q HN 0.316 nan 8.270 nan 0.000 0.419 745 P HA -0.107 nan 4.420 nan 0.000 0.225 745 P C 0.451 177.525 177.300 -0.377 0.000 1.148 745 P CA 1.269 64.152 63.100 -0.362 0.000 0.779 745 P CB -0.294 31.046 31.700 -0.600 0.000 0.780 746 Y N -1.288 119.018 120.300 0.011 0.000 2.479 746 Y HA 0.022 4.570 4.550 -0.003 0.000 0.283 746 Y C 2.382 178.282 175.900 -0.001 0.000 1.109 746 Y CA -0.164 57.942 58.100 0.010 0.000 1.239 746 Y CB -0.657 37.810 38.460 0.012 0.000 1.108 746 Y HN -0.219 nan 8.280 nan 0.000 0.548 747 I N 1.417 122.059 120.570 0.120 0.000 2.113 747 I HA -0.282 3.886 4.170 -0.003 0.000 0.242 747 I C -0.472 175.663 176.117 0.030 0.000 1.057 747 I CA 1.652 62.981 61.300 0.048 0.000 1.314 747 I CB -2.701 35.304 38.000 0.009 0.000 1.022 747 I HN 0.158 nan 8.210 nan 0.000 0.408 748 P HA -0.209 nan 4.420 nan 0.000 0.216 748 P C 2.010 179.374 177.300 0.106 0.000 1.157 748 P CA 1.943 65.080 63.100 0.063 0.000 0.880 748 P CB -0.142 31.587 31.700 0.048 0.000 0.791 749 M N -0.621 119.030 119.600 0.085 0.000 2.081 749 M HA -0.080 4.398 4.480 -0.003 0.000 0.261 749 M C 2.502 178.848 176.300 0.077 0.000 1.075 749 M CA 1.432 56.784 55.300 0.087 0.000 1.133 749 M CB -1.962 30.682 32.600 0.073 0.000 1.330 749 M HN -0.118 nan 8.290 nan 0.000 0.414 750 V N -0.475 119.471 119.914 0.052 0.000 2.252 750 V HA -0.253 3.865 4.120 -0.003 0.000 0.249 750 V C 2.408 178.502 176.094 0.001 0.000 1.056 750 V CA 1.719 64.031 62.300 0.020 0.000 1.022 750 V CB -1.590 30.233 31.823 -0.000 0.000 0.641 750 V HN 0.479 nan 8.190 nan 0.000 0.445 751 L N 0.144 121.348 121.223 -0.030 0.000 1.997 751 L HA -0.318 4.020 4.340 -0.003 0.000 0.227 751 L C 2.863 179.660 176.870 -0.121 0.000 1.087 751 L CA 3.125 57.893 54.840 -0.120 0.000 0.797 751 L CB -1.520 40.427 42.059 -0.186 0.000 0.902 751 L HN 0.502 nan 8.230 nan 0.000 0.441 752 H N -0.065 118.987 119.070 -0.031 0.000 2.390 752 H HA -0.195 4.359 4.556 -0.003 0.000 0.298 752 H C 2.334 177.655 175.328 -0.011 0.000 1.106 752 H CA 2.024 58.061 56.048 -0.018 0.000 1.297 752 H CB 0.003 29.764 29.762 -0.002 0.000 1.375 752 H HN 0.593 nan 8.280 nan 0.000 0.509 753 Q N 0.215 120.079 119.800 0.106 0.000 2.020 753 Q HA -0.118 4.220 4.340 -0.003 0.000 0.202 753 Q C 2.758 178.776 176.000 0.030 0.000 0.982 753 Q CA 1.087 56.927 55.803 0.061 0.000 0.838 753 Q CB -0.120 28.644 28.738 0.044 0.000 0.899 753 Q HN 0.383 nan 8.270 nan 0.000 0.423 754 L N 0.129 121.350 121.223 -0.003 0.000 2.021 754 L HA -0.261 4.077 4.340 -0.003 0.000 0.215 754 L C 2.434 179.291 176.870 -0.021 0.000 1.074 754 L CA 1.022 55.849 54.840 -0.023 0.000 0.760 754 L CB -0.912 41.110 42.059 -0.061 0.000 0.889 754 L HN 0.109 nan 8.230 nan 0.000 0.433 755 V N -0.422 119.462 119.914 -0.050 0.000 2.214 755 V HA -0.310 3.808 4.120 -0.003 0.000 0.247 755 V C 2.585 178.711 176.094 0.052 0.000 1.051 755 V CA 1.978 64.272 62.300 -0.010 0.000 1.003 755 V CB -0.585 31.231 31.823 -0.012 0.000 0.635 755 V HN 0.442 nan 8.190 nan 0.000 0.447 756 E N -0.184 120.054 120.200 0.064 0.000 2.136 756 E HA -0.247 4.101 4.350 -0.003 0.000 0.202 756 E C 2.160 178.793 176.600 0.056 0.000 1.019 756 E CA 1.800 58.240 56.400 0.066 0.000 0.819 756 E CB -0.403 29.336 29.700 0.065 0.000 0.739 756 E HN 0.486 nan 8.360 nan 0.000 0.458 757 I N 0.754 121.352 120.570 0.048 0.000 2.099 757 I HA -0.246 3.922 4.170 -0.003 0.000 0.239 757 I C 2.715 178.862 176.117 0.050 0.000 1.066 757 I CA 0.975 62.301 61.300 0.044 0.000 1.324 757 I CB -1.137 36.885 38.000 0.036 0.000 1.037 757 I HN 0.110 nan 8.210 nan 0.000 0.401 758 I N 0.591 121.196 120.570 0.058 0.000 2.614 758 I HA -0.266 3.902 4.170 -0.003 0.000 0.258 758 I C 1.928 178.099 176.117 0.090 0.000 1.189 758 I CA 1.241 62.587 61.300 0.077 0.000 1.462 758 I CB -0.147 37.917 38.000 0.106 0.000 1.092 758 I HN 0.284 nan 8.210 nan 0.000 0.442 759 N N -0.081 118.671 118.700 0.087 0.000 2.376 759 N HA -0.018 4.720 4.740 -0.003 0.000 0.177 759 N C 0.728 176.276 175.510 0.064 0.000 1.024 759 N CA -0.088 53.012 53.050 0.084 0.000 0.893 759 N CB 0.195 38.735 38.487 0.088 0.000 0.980 759 N HN 0.132 nan 8.380 nan 0.000 0.439 760 R N 1.444 121.977 120.500 0.055 0.000 2.491 760 R HA 0.147 4.486 4.340 -0.003 0.000 0.283 760 R C -2.389 173.936 176.300 0.042 0.000 1.072 760 R CA -1.500 54.627 56.100 0.045 0.000 1.048 760 R CB 0.569 30.893 30.300 0.039 0.000 0.983 760 R HN -0.018 nan 8.270 nan 0.000 0.450 761 P HA -0.001 nan 4.420 nan 0.000 0.297 761 P C -0.959 176.356 177.300 0.025 0.000 1.303 761 P CA -0.249 62.871 63.100 0.033 0.000 0.753 761 P CB 0.286 32.005 31.700 0.031 0.000 1.281 762 N N -3.590 115.122 118.700 0.020 0.000 2.678 762 N HA -0.175 4.563 4.740 -0.003 0.000 0.249 762 N C -1.211 174.306 175.510 0.011 0.000 1.119 762 N CA 0.614 53.671 53.050 0.012 0.000 0.718 762 N CB -2.602 35.891 38.487 0.009 0.000 1.060 762 N HN 0.292 nan 8.380 nan 0.000 0.552 763 T N 2.183 116.747 114.554 0.015 0.000 2.762 763 T HA 0.349 4.697 4.350 -0.003 0.000 0.303 763 T C -2.247 172.459 174.700 0.009 0.000 0.977 763 T CA -0.957 61.152 62.100 0.015 0.000 0.961 763 T CB 1.469 70.351 68.868 0.024 0.000 0.944 763 T HN 0.086 nan 8.240 nan 0.000 0.481 764 P HA -0.113 nan 4.420 nan 0.000 0.261 764 P C 0.988 178.284 177.300 -0.007 0.000 1.140 764 P CA 0.278 63.377 63.100 -0.003 0.000 0.757 764 P CB 0.679 32.377 31.700 -0.003 0.000 0.735 765 K N 2.417 122.809 120.400 -0.013 0.000 2.074 765 K HA -0.203 4.115 4.320 -0.003 0.000 0.209 765 K C 1.589 178.171 176.600 -0.030 0.000 1.048 765 K CA 2.318 58.592 56.287 -0.021 0.000 0.926 765 K CB -0.384 32.100 32.500 -0.026 0.000 0.713 765 K HN 0.576 nan 8.250 nan 0.000 0.444 766 T N 1.050 115.586 114.554 -0.030 0.000 2.684 766 T HA -0.213 4.135 4.350 -0.003 0.000 0.267 766 T C 1.814 176.499 174.700 -0.026 0.000 1.036 766 T CA 1.341 63.419 62.100 -0.036 0.000 1.148 766 T CB -0.442 68.404 68.868 -0.037 0.000 0.863 766 T HN 0.196 nan 8.240 nan 0.000 0.436 767 L N 0.553 121.770 121.223 -0.010 0.000 2.046 767 L HA 0.141 4.479 4.340 -0.003 0.000 0.208 767 L C 2.299 179.170 176.870 0.001 0.000 1.077 767 L CA 1.334 56.177 54.840 0.006 0.000 0.747 767 L CB -1.121 40.949 42.059 0.019 0.000 0.896 767 L HN 0.142 nan 8.230 nan 0.000 0.432 768 L N -0.064 121.155 121.223 -0.007 0.000 2.013 768 L HA -0.282 4.056 4.340 -0.003 0.000 0.212 768 L C 2.499 179.339 176.870 -0.050 0.000 1.073 768 L CA 2.087 56.918 54.840 -0.015 0.000 0.753 768 L CB -0.638 41.413 42.059 -0.013 0.000 0.890 768 L HN 0.399 nan 8.230 nan 0.000 0.432 769 E N -0.752 119.407 120.200 -0.068 0.000 2.012 769 E HA -0.261 4.087 4.350 -0.003 0.000 0.197 769 E C 1.917 178.479 176.600 -0.063 0.000 1.007 769 E CA 1.689 58.027 56.400 -0.103 0.000 0.816 769 E CB -0.374 29.270 29.700 -0.094 0.000 0.762 769 E HN 0.522 nan 8.360 nan 0.000 0.451 770 N N -0.539 118.151 118.700 -0.017 0.000 2.493 770 N HA -0.147 4.591 4.740 -0.003 0.000 0.191 770 N C 1.260 176.804 175.510 0.058 0.000 1.041 770 N CA 1.366 54.443 53.050 0.046 0.000 0.904 770 N CB 0.099 38.621 38.487 0.058 0.000 0.948 770 N HN 0.102 nan 8.380 nan 0.000 0.446 771 T N -1.080 113.485 114.554 0.018 0.000 3.021 771 T HA 0.186 4.534 4.350 -0.003 0.000 0.245 771 T C 1.950 176.669 174.700 0.032 0.000 1.028 771 T CA 0.522 62.637 62.100 0.026 0.000 1.139 771 T CB -0.078 68.805 68.868 0.024 0.000 0.884 771 T HN 0.244 nan 8.240 nan 0.000 0.457 772 A N 1.565 124.360 122.820 -0.043 0.000 1.902 772 A HA 0.002 4.320 4.320 -0.003 0.000 0.217 772 A C 2.193 179.780 177.584 0.006 0.000 1.181 772 A CA 1.214 53.164 52.037 -0.145 0.000 0.623 772 A CB -0.844 17.759 19.000 -0.662 0.000 0.818 772 A HN 0.489 nan 8.150 nan 0.000 0.443 773 I N -0.379 120.165 120.570 -0.044 0.000 2.127 773 I HA -0.254 3.914 4.170 -0.003 0.000 0.241 773 I C 2.610 178.827 176.117 0.167 0.000 1.075 773 I CA 1.871 63.224 61.300 0.088 0.000 1.334 773 I CB -0.896 37.152 38.000 0.081 0.000 1.040 773 I HN 0.236 nan 8.210 nan 0.000 0.405 774 T N 1.283 115.906 114.554 0.114 0.000 2.699 774 T HA -0.156 4.192 4.350 -0.003 0.000 0.268 774 T C 1.909 176.658 174.700 0.081 0.000 1.036 774 T CA 1.527 63.673 62.100 0.076 0.000 1.147 774 T CB -0.356 68.533 68.868 0.035 0.000 0.862 774 T HN 0.268 nan 8.240 nan 0.000 0.446 775 I N 1.063 121.701 120.570 0.113 0.000 2.252 775 I HA -0.079 4.089 4.170 -0.003 0.000 0.245 775 I C 2.933 179.130 176.117 0.133 0.000 1.102 775 I CA 1.251 62.578 61.300 0.046 0.000 1.385 775 I CB -0.761 37.213 38.000 -0.044 0.000 1.064 775 I HN 0.309 nan 8.210 nan 0.000 0.414 776 G N 0.779 109.806 108.800 0.378 0.000 2.432 776 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.219 776 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.219 776 G C 1.823 176.864 174.900 0.234 0.000 1.135 776 G CA 0.237 45.544 45.100 0.346 0.000 0.767 776 G HN 0.196 nan 8.290 nan 0.000 0.550 777 R N -0.085 120.531 120.500 0.192 0.000 2.070 777 R HA 0.047 4.385 4.340 -0.003 0.000 0.233 777 R C 2.673 179.057 176.300 0.140 0.000 1.137 777 R CA 0.843 57.034 56.100 0.151 0.000 0.945 777 R CB -0.930 29.422 30.300 0.086 0.000 0.845 777 R HN 0.375 nan 8.270 nan 0.000 0.430 778 L N -0.217 121.052 121.223 0.077 0.000 2.042 778 L HA -0.108 4.230 4.340 -0.003 0.000 0.210 778 L C 2.598 179.496 176.870 0.048 0.000 1.076 778 L CA 1.704 56.567 54.840 0.038 0.000 0.749 778 L CB -0.883 41.168 42.059 -0.013 0.000 0.893 778 L HN 0.332 nan 8.230 nan 0.000 0.432 779 G N -1.583 107.252 108.800 0.058 0.000 2.448 779 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.219 779 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.219 779 G C 1.452 176.420 174.900 0.114 0.000 1.127 779 G CA 0.638 45.777 45.100 0.065 0.000 0.766 779 G HN 0.312 nan 8.290 nan 0.000 0.552 780 Y N 1.652 121.970 120.300 0.030 0.000 2.130 780 Y HA -0.120 4.428 4.550 -0.003 0.000 0.287 780 Y C 2.902 178.814 175.900 0.020 0.000 1.124 780 Y CA 1.906 60.026 58.100 0.034 0.000 1.118 780 Y CB -0.550 37.944 38.460 0.056 0.000 0.994 780 Y HN 0.109 nan 8.280 nan 0.000 0.497 781 V N -2.527 117.415 119.914 0.047 0.000 2.626 781 V HA -0.090 4.028 4.120 -0.003 0.000 0.252 781 V C 0.937 176.989 176.094 -0.070 0.000 1.067 781 V CA 1.244 63.510 62.300 -0.056 0.000 1.081 781 V CB -1.067 30.773 31.823 0.028 0.000 0.686 781 V HN 0.454 nan 8.190 nan 0.000 0.468 782 C N 2.299 121.579 119.300 -0.033 0.000 3.498 782 C HA 0.531 4.989 4.460 -0.003 0.000 0.218 782 C C -0.893 174.082 174.990 -0.024 0.000 1.284 782 C CA -0.645 58.354 59.018 -0.032 0.000 1.343 782 C CB 0.787 28.520 27.740 -0.012 0.000 1.825 782 C HN 0.434 nan 8.230 nan 0.000 0.518 783 P HA -0.192 nan 4.420 nan 0.000 0.214 783 P C 1.440 178.734 177.300 -0.009 0.000 1.163 783 P CA 1.659 64.749 63.100 -0.016 0.000 0.883 783 P CB 0.163 31.844 31.700 -0.031 0.000 0.788 784 Q N -0.140 119.651 119.800 -0.016 0.000 2.308 784 Q HA -0.191 4.147 4.340 -0.003 0.000 0.209 784 Q C 1.725 177.721 176.000 -0.006 0.000 0.985 784 Q CA 1.552 57.349 55.803 -0.010 0.000 0.881 784 Q CB -0.426 28.303 28.738 -0.014 0.000 0.917 784 Q HN 0.444 nan 8.270 nan 0.000 0.443 785 E N -1.395 118.800 120.200 -0.010 0.000 2.340 785 E HA 0.002 4.350 4.350 -0.003 0.000 0.198 785 E C 1.848 178.435 176.600 -0.023 0.000 0.961 785 E CA 0.305 56.697 56.400 -0.014 0.000 0.905 785 E CB 0.499 30.188 29.700 -0.018 0.000 0.884 785 E HN 0.067 nan 8.360 nan 0.000 0.491 786 V N 0.103 120.008 119.914 -0.016 0.000 2.922 786 V HA 0.181 4.299 4.120 -0.003 0.000 0.242 786 V C 2.105 178.242 176.094 0.071 0.000 1.094 786 V CA 0.937 63.225 62.300 -0.021 0.000 1.106 786 V CB -0.301 31.492 31.823 -0.049 0.000 0.799 786 V HN 0.244 nan 8.190 nan 0.000 0.474 787 A N 1.205 124.062 122.820 0.062 0.000 1.986 787 A HA -0.125 4.193 4.320 -0.003 0.000 0.220 787 A C 0.183 177.800 177.584 0.054 0.000 1.171 787 A CA 2.010 54.084 52.037 0.062 0.000 0.640 787 A CB -1.802 17.210 19.000 0.021 0.000 0.811 787 A HN 0.541 nan 8.150 nan 0.000 0.451 788 P HA -0.024 nan 4.420 nan 0.000 0.236 788 P C 0.959 178.297 177.300 0.064 0.000 1.172 788 P CA 1.015 64.139 63.100 0.040 0.000 0.759 788 P CB -0.002 31.716 31.700 0.030 0.000 0.843 789 M N -2.800 116.877 119.600 0.128 0.000 2.338 789 M HA 0.111 4.589 4.480 -0.003 0.000 0.276 789 M C 1.319 177.757 176.300 0.230 0.000 1.057 789 M CA -0.044 55.384 55.300 0.214 0.000 1.079 789 M CB -0.167 32.563 32.600 0.218 0.000 1.547 789 M HN -0.229 nan 8.290 nan 0.000 0.549 790 L N 1.548 122.794 121.223 0.038 0.000 2.095 790 L HA -0.386 3.952 4.340 -0.003 0.000 0.229 790 L C 2.556 179.079 176.870 -0.578 0.000 1.097 790 L CA 2.753 57.241 54.840 -0.588 0.000 0.813 790 L CB -1.029 40.833 42.059 -0.328 0.000 0.907 790 L HN 0.575 nan 8.230 nan 0.000 0.445 791 Q N -1.320 118.339 119.800 -0.235 0.000 2.197 791 Q HA -0.290 4.048 4.340 -0.003 0.000 0.207 791 Q C 1.953 177.865 176.000 -0.147 0.000 0.984 791 Q CA 2.283 57.989 55.803 -0.162 0.000 0.869 791 Q CB -0.338 28.361 28.738 -0.064 0.000 0.906 791 Q HN 0.712 nan 8.270 nan 0.000 0.426 792 Q N -0.497 119.261 119.800 -0.070 0.000 2.354 792 Q HA 0.025 4.363 4.340 -0.003 0.000 0.203 792 Q C 0.844 176.897 176.000 0.088 0.000 0.933 792 Q CA 0.951 56.776 55.803 0.036 0.000 0.901 792 Q CB 0.366 29.179 28.738 0.125 0.000 1.007 792 Q HN 0.665 nan 8.270 nan 0.000 0.495 793 F N -3.303 116.627 119.950 -0.035 0.000 2.781 793 F HA 0.323 4.848 4.527 -0.003 0.000 0.322 793 F C 1.087 176.894 175.800 0.012 0.000 1.108 793 F CA -0.607 57.394 58.000 0.001 0.000 1.179 793 F CB -0.036 38.974 39.000 0.018 0.000 1.072 793 F HN -0.150 nan 8.300 nan 0.000 0.545 794 I N 2.199 122.469 120.570 -0.499 0.000 2.202 794 I HA -0.117 4.051 4.170 -0.003 0.000 0.242 794 I C 2.428 178.502 176.117 -0.073 0.000 1.091 794 I CA 1.550 62.614 61.300 -0.393 0.000 1.368 794 I CB -0.386 37.360 38.000 -0.423 0.000 1.058 794 I HN 0.112 nan 8.210 nan 0.000 0.410 795 R N 1.251 121.629 120.500 -0.203 0.000 2.097 795 R HA -0.135 4.203 4.340 -0.003 0.000 0.236 795 R C -0.360 176.018 176.300 0.130 0.000 1.135 795 R CA 2.156 58.089 56.100 -0.278 0.000 0.934 795 R CB -2.514 27.445 30.300 -0.569 0.000 0.846 795 R HN 0.422 nan 8.270 nan 0.000 0.431 796 P HA -0.187 nan 4.420 nan 0.000 0.217 796 P C 0.896 178.333 177.300 0.230 0.000 1.151 796 P CA 0.995 64.207 63.100 0.187 0.000 0.828 796 P CB -0.179 31.622 31.700 0.167 0.000 0.788 797 W N 0.858 122.221 121.300 0.106 0.000 2.322 797 W HA -0.249 4.409 4.660 -0.003 0.000 0.326 797 W C 2.550 179.107 176.519 0.063 0.000 1.224 797 W CA 1.891 59.295 57.345 0.099 0.000 1.257 797 W CB -1.212 28.334 29.460 0.144 0.000 1.174 797 W HN -0.032 nan 8.180 nan 0.000 0.460 798 C N 0.359 119.992 119.300 0.555 0.000 2.336 798 C HA -0.367 4.091 4.460 -0.003 0.000 0.275 798 C C 2.892 177.985 174.990 0.171 0.000 1.175 798 C CA 2.978 62.232 59.018 0.394 0.000 1.771 798 C CB -1.673 26.323 27.740 0.427 0.000 2.030 798 C HN 0.628 nan 8.230 nan 0.000 0.442 799 T N -1.193 113.484 114.554 0.204 0.000 2.737 799 T HA -0.221 4.127 4.350 -0.003 0.000 0.269 799 T C 1.756 176.468 174.700 0.019 0.000 1.040 799 T CA 2.077 64.244 62.100 0.111 0.000 1.142 799 T CB -0.641 68.325 68.868 0.164 0.000 0.861 799 T HN 0.567 nan 8.240 nan 0.000 0.456 800 S N 0.219 115.911 115.700 -0.013 0.000 2.414 800 S HA 0.122 4.590 4.470 -0.003 0.000 0.227 800 S C 1.689 176.196 174.600 -0.155 0.000 1.022 800 S CA 0.114 58.267 58.200 -0.078 0.000 0.958 800 S CB -0.348 62.801 63.200 -0.084 0.000 0.797 800 S HN 0.324 nan 8.310 nan 0.000 0.493 801 L N 1.848 122.922 121.223 -0.249 0.000 2.567 801 L HA 0.408 4.746 4.340 -0.003 0.000 0.225 801 L C 2.053 178.834 176.870 -0.148 0.000 1.119 801 L CA 0.454 55.108 54.840 -0.309 0.000 0.871 801 L CB -0.404 41.226 42.059 -0.714 0.000 1.036 801 L HN 0.312 nan 8.230 nan 0.000 0.459 802 R N 0.142 120.590 120.500 -0.087 0.000 2.152 802 R HA -0.075 4.263 4.340 -0.003 0.000 0.232 802 R C 0.242 176.469 176.300 -0.123 0.000 1.117 802 R CA 1.424 57.481 56.100 -0.070 0.000 0.981 802 R CB -0.354 29.919 30.300 -0.045 0.000 0.870 802 R HN 0.211 nan 8.270 nan 0.000 0.451 803 N N 0.948 119.576 118.700 -0.122 0.000 2.886 803 N HA 0.231 4.969 4.740 -0.003 0.000 0.285 803 N C -0.996 174.434 175.510 -0.132 0.000 1.706 803 N CA -0.219 52.758 53.050 -0.122 0.000 0.904 803 N CB 0.840 39.273 38.487 -0.090 0.000 1.224 803 N HN 0.344 nan 8.380 nan 0.000 0.488 804 I N -2.538 117.928 120.570 -0.172 0.000 2.865 804 I HA 0.563 4.731 4.170 -0.003 0.000 0.302 804 I C -0.130 175.868 176.117 -0.198 0.000 1.140 804 I CA -1.258 59.943 61.300 -0.164 0.000 1.021 804 I CB 1.994 39.902 38.000 -0.154 0.000 1.233 804 I HN -0.255 nan 8.210 nan 0.000 0.427 805 R N 2.275 122.688 120.500 -0.145 0.000 2.489 805 R HA 0.101 4.439 4.340 -0.003 0.000 0.287 805 R C -0.311 175.891 176.300 -0.164 0.000 1.053 805 R CA 0.009 56.030 56.100 -0.132 0.000 1.036 805 R CB 0.129 30.386 30.300 -0.072 0.000 0.966 805 R HN 0.569 nan 8.270 nan 0.000 0.432 806 D N 3.459 123.742 120.400 -0.195 0.000 2.911 806 D HA -0.058 4.580 4.640 -0.003 0.000 0.233 806 D C -0.022 176.303 176.300 0.041 0.000 1.134 806 D CA 0.294 54.149 54.000 -0.242 0.000 1.011 806 D CB -0.330 40.390 40.800 -0.135 0.000 1.174 806 D HN 0.488 nan 8.370 nan 0.000 0.440 807 N N 0.169 118.882 118.700 0.023 0.000 2.332 807 N HA -0.082 4.656 4.740 -0.003 0.000 0.282 807 N C 1.149 176.747 175.510 0.147 0.000 1.288 807 N CA -0.395 52.703 53.050 0.080 0.000 0.949 807 N CB 0.382 38.895 38.487 0.044 0.000 1.108 807 N HN -0.218 nan 8.380 nan 0.000 0.542 808 E N -0.576 119.699 120.200 0.124 0.000 2.110 808 E HA -0.180 4.168 4.350 -0.003 0.000 0.193 808 E C 1.255 177.950 176.600 0.159 0.000 0.988 808 E CA 1.463 57.943 56.400 0.134 0.000 0.804 808 E CB -0.193 29.571 29.700 0.107 0.000 0.745 808 E HN 0.633 nan 8.360 nan 0.000 0.458 809 E N 0.173 120.465 120.200 0.153 0.000 2.046 809 E HA -0.174 4.174 4.350 -0.003 0.000 0.190 809 E C 2.100 178.827 176.600 0.211 0.000 0.982 809 E CA 0.909 57.410 56.400 0.168 0.000 0.800 809 E CB -0.210 29.579 29.700 0.149 0.000 0.756 809 E HN 0.178 nan 8.360 nan 0.000 0.449 810 K N 1.056 121.583 120.400 0.212 0.000 2.063 810 K HA -0.223 4.095 4.320 -0.003 0.000 0.208 810 K C 2.037 179.042 176.600 0.675 0.000 1.048 810 K CA 1.663 58.133 56.287 0.305 0.000 0.928 810 K CB -0.012 32.486 32.500 -0.003 0.000 0.713 810 K HN -0.008 nan 8.250 nan 0.000 0.442 811 D N 0.061 120.854 120.400 0.655 0.000 2.084 811 D HA -0.096 4.542 4.640 -0.003 0.000 0.194 811 D C 1.576 178.060 176.300 0.306 0.000 0.990 811 D CA 1.335 55.645 54.000 0.516 0.000 0.826 811 D CB -0.123 40.840 40.800 0.273 0.000 0.971 811 D HN 0.100 nan 8.370 nan 0.000 0.453 812 S N -0.036 115.781 115.700 0.194 0.000 2.488 812 S HA -0.104 4.364 4.470 -0.003 0.000 0.246 812 S C 1.722 176.403 174.600 0.135 0.000 0.992 812 S CA 0.916 59.156 58.200 0.066 0.000 0.963 812 S CB -0.020 63.224 63.200 0.074 0.000 0.754 812 S HN 0.449 nan 8.310 nan 0.000 0.519 813 A N 0.362 123.373 122.820 0.318 0.000 1.909 813 A HA 0.358 4.676 4.320 -0.003 0.000 0.209 813 A C 1.605 179.514 177.584 0.541 0.000 1.247 813 A CA 0.148 52.444 52.037 0.431 0.000 0.660 813 A CB -0.691 18.561 19.000 0.421 0.000 0.910 813 A HN 0.415 nan 8.150 nan 0.000 0.465 814 F N 0.485 120.789 119.950 0.590 0.000 2.269 814 F HA -0.052 4.473 4.527 -0.003 0.000 0.301 814 F C 2.383 178.393 175.800 0.350 0.000 1.082 814 F CA 1.493 59.878 58.000 0.642 0.000 1.360 814 F CB -0.079 39.438 39.000 0.861 0.000 1.041 814 F HN 0.138 nan 8.300 nan 0.000 0.512 815 R N 0.043 120.727 120.500 0.308 0.000 2.096 815 R HA -0.115 4.223 4.340 -0.003 0.000 0.235 815 R C 2.508 178.929 176.300 0.202 0.000 1.127 815 R CA 1.325 57.473 56.100 0.081 0.000 0.968 815 R CB -0.841 29.262 30.300 -0.329 0.000 0.861 815 R HN 0.376 nan 8.270 nan 0.000 0.440 816 G N 0.893 109.817 108.800 0.205 0.000 2.484 816 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.215 816 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.215 816 G C 1.283 176.245 174.900 0.103 0.000 1.219 816 G CA 0.716 45.967 45.100 0.252 0.000 0.791 816 G HN 0.291 nan 8.290 nan 0.000 0.550 817 I N 0.620 121.163 120.570 -0.046 0.000 2.300 817 I HA -0.229 3.939 4.170 -0.003 0.000 0.252 817 I C 2.627 178.672 176.117 -0.121 0.000 1.119 817 I CA 0.934 62.057 61.300 -0.295 0.000 1.384 817 I CB -0.135 37.394 38.000 -0.785 0.000 1.062 817 I HN 0.257 nan 8.210 nan 0.000 0.426 818 C N -0.748 118.592 119.300 0.067 0.000 2.518 818 C HA -0.100 4.358 4.460 -0.003 0.000 0.279 818 C C 2.700 177.726 174.990 0.060 0.000 1.279 818 C CA 1.277 60.352 59.018 0.094 0.000 1.703 818 C CB -1.374 26.485 27.740 0.197 0.000 2.072 818 C HN 0.510 nan 8.230 nan 0.000 0.487 819 T N 1.262 115.880 114.554 0.107 0.000 2.778 819 T HA -0.241 4.107 4.350 -0.003 0.000 0.269 819 T C 1.684 176.406 174.700 0.036 0.000 1.050 819 T CA 1.639 63.790 62.100 0.085 0.000 1.137 819 T CB -0.305 68.640 68.868 0.128 0.000 0.860 819 T HN 0.488 nan 8.240 nan 0.000 0.468 820 M N 0.093 119.703 119.600 0.016 0.000 2.123 820 M HA 0.109 4.587 4.480 -0.003 0.000 0.263 820 M C 2.256 178.531 176.300 -0.042 0.000 1.069 820 M CA 1.421 56.713 55.300 -0.014 0.000 1.133 820 M CB -0.430 32.156 32.600 -0.023 0.000 1.356 820 M HN 0.172 nan 8.290 nan 0.000 0.415 821 I N 0.155 120.674 120.570 -0.085 0.000 2.264 821 I HA -0.293 3.875 4.170 -0.003 0.000 0.248 821 I C 2.361 178.486 176.117 0.013 0.000 1.111 821 I CA 1.595 62.840 61.300 -0.092 0.000 1.382 821 I CB -0.513 37.358 38.000 -0.215 0.000 1.060 821 I HN 0.357 nan 8.210 nan 0.000 0.418 822 S N -0.611 115.104 115.700 0.026 0.000 2.607 822 S HA 0.030 4.498 4.470 -0.003 0.000 0.224 822 S C 1.584 176.205 174.600 0.034 0.000 0.969 822 S CA 0.295 58.527 58.200 0.053 0.000 0.927 822 S CB -0.108 63.122 63.200 0.051 0.000 0.772 822 S HN 0.251 nan 8.310 nan 0.000 0.533 823 V N 1.165 121.091 119.914 0.020 0.000 2.627 823 V HA 0.254 4.372 4.120 -0.003 0.000 0.239 823 V C 0.874 176.976 176.094 0.013 0.000 1.077 823 V CA 0.629 62.936 62.300 0.011 0.000 1.103 823 V CB -0.340 31.486 31.823 0.004 0.000 0.802 823 V HN 0.461 nan 8.190 nan 0.000 0.482 824 N N 0.249 118.956 118.700 0.011 0.000 2.904 824 N HA 0.253 4.992 4.740 -0.003 0.000 0.257 824 N C -2.203 173.326 175.510 0.032 0.000 1.363 824 N CA -1.442 51.615 53.050 0.011 0.000 0.856 824 N CB 1.833 40.319 38.487 -0.001 0.000 1.166 824 N HN 0.129 nan 8.380 nan 0.000 0.499 825 P HA -0.117 nan 4.420 nan 0.000 0.215 825 P C 1.378 178.794 177.300 0.193 0.000 1.153 825 P CA 1.203 64.430 63.100 0.212 0.000 0.853 825 P CB 0.163 31.944 31.700 0.135 0.000 0.788 826 S N -0.877 114.867 115.700 0.073 0.000 2.462 826 S HA -0.138 4.330 4.470 -0.003 0.000 0.243 826 S C 2.252 176.883 174.600 0.053 0.000 1.003 826 S CA 1.292 59.525 58.200 0.055 0.000 0.970 826 S CB -1.951 61.258 63.200 0.014 0.000 0.762 826 S HN 0.244 nan 8.310 nan 0.000 0.510 827 G N 1.669 110.483 108.800 0.024 0.000 2.442 827 G HA2 -0.143 3.815 3.960 -0.003 0.000 0.219 827 G HA3 -0.143 3.815 3.960 -0.003 0.000 0.219 827 G C 1.357 176.226 174.900 -0.052 0.000 1.141 827 G CA 1.280 46.352 45.100 -0.047 0.000 0.763 827 G HN 1.025 nan 8.290 nan 0.000 0.554 828 V N -2.065 117.864 119.914 0.024 0.000 3.578 828 V HA 0.371 4.489 4.120 -0.003 0.000 0.290 828 V C 2.262 178.506 176.094 0.249 0.000 1.376 828 V CA -0.190 62.148 62.300 0.063 0.000 1.083 828 V CB -0.187 31.613 31.823 -0.040 0.000 0.911 828 V HN 0.307 nan 8.190 nan 0.000 0.433 829 I N 0.772 121.489 120.570 0.245 0.000 2.185 829 I HA -0.318 3.850 4.170 -0.003 0.000 0.246 829 I C 2.732 179.036 176.117 0.312 0.000 1.088 829 I CA 2.273 63.736 61.300 0.272 0.000 1.347 829 I CB -0.263 37.844 38.000 0.178 0.000 1.041 829 I HN 0.403 nan 8.210 nan 0.000 0.415 830 Q N -0.042 119.894 119.800 0.226 0.000 2.302 830 Q HA -0.097 4.241 4.340 -0.003 0.000 0.202 830 Q C 0.261 176.423 176.000 0.271 0.000 0.936 830 Q CA 0.879 56.813 55.803 0.218 0.000 0.886 830 Q CB 0.237 29.041 28.738 0.110 0.000 0.986 830 Q HN 0.516 nan 8.270 nan 0.000 0.487 831 D N -0.661 119.886 120.400 0.244 0.000 2.559 831 D HA 0.064 4.703 4.640 -0.003 0.000 0.234 831 D C 0.145 176.702 176.300 0.428 0.000 1.226 831 D CA -0.190 53.974 54.000 0.274 0.000 0.830 831 D CB 0.079 40.791 40.800 -0.148 0.000 1.028 831 D HN 0.016 nan 8.370 nan 0.000 0.492 832 F N 1.485 121.629 119.950 0.324 0.000 2.134 832 F HA -0.131 4.394 4.527 -0.003 0.000 0.299 832 F C 1.916 177.945 175.800 0.383 0.000 1.097 832 F CA 0.985 59.157 58.000 0.286 0.000 1.264 832 F CB 0.052 39.121 39.000 0.115 0.000 1.001 832 F HN 0.100 nan 8.300 nan 0.000 0.479 833 I N -0.618 120.318 120.570 0.611 0.000 2.423 833 I HA -0.337 3.831 4.170 -0.003 0.000 0.254 833 I C 1.977 178.211 176.117 0.196 0.000 1.151 833 I CA 1.744 63.302 61.300 0.429 0.000 1.421 833 I CB -0.810 37.456 38.000 0.445 0.000 1.079 833 I HN 0.077 nan 8.210 nan 0.000 0.431 834 F N 0.619 120.646 119.950 0.128 0.000 2.146 834 F HA -0.234 4.291 4.527 -0.003 0.000 0.298 834 F C 2.331 178.149 175.800 0.029 0.000 1.096 834 F CA 2.071 60.115 58.000 0.073 0.000 1.275 834 F CB -0.915 38.142 39.000 0.095 0.000 1.008 834 F HN 0.140 nan 8.300 nan 0.000 0.480 835 F N 0.144 120.109 119.950 0.025 0.000 2.146 835 F HA -0.187 4.338 4.527 -0.003 0.000 0.298 835 F C 2.248 177.902 175.800 -0.243 0.000 1.096 835 F CA 1.010 58.906 58.000 -0.173 0.000 1.275 835 F CB -0.980 37.730 39.000 -0.484 0.000 1.008 835 F HN -0.021 nan 8.300 nan 0.000 0.480 836 C N 0.469 119.418 119.300 -0.585 0.000 2.453 836 C HA -0.164 4.294 4.460 -0.003 0.000 0.277 836 C C 2.493 177.179 174.990 -0.507 0.000 1.262 836 C CA 1.248 59.852 59.018 -0.689 0.000 1.718 836 C CB -1.348 26.118 27.740 -0.456 0.000 2.031 836 C HN 0.577 nan 8.230 nan 0.000 0.480 837 D N 0.958 121.165 120.400 -0.322 0.000 2.265 837 D HA -0.098 4.540 4.640 -0.003 0.000 0.208 837 D C 2.027 178.214 176.300 -0.188 0.000 0.977 837 D CA 1.427 55.283 54.000 -0.240 0.000 0.871 837 D CB -0.071 40.616 40.800 -0.188 0.000 0.925 837 D HN 0.472 nan 8.370 nan 0.000 0.485 838 A N -0.573 122.149 122.820 -0.162 0.000 1.930 838 A HA 0.006 4.324 4.320 -0.003 0.000 0.215 838 A C 2.440 179.961 177.584 -0.105 0.000 1.176 838 A CA 1.080 53.130 52.037 0.020 0.000 0.632 838 A CB -0.437 18.735 19.000 0.288 0.000 0.819 838 A HN 0.175 nan 8.150 nan 0.000 0.445 839 V N 0.148 119.797 119.914 -0.442 0.000 2.307 839 V HA -0.111 4.007 4.120 -0.003 0.000 0.245 839 V C 2.310 178.177 176.094 -0.377 0.000 1.045 839 V CA 1.394 63.299 62.300 -0.659 0.000 1.024 839 V CB -1.193 29.924 31.823 -1.176 0.000 0.651 839 V HN 0.525 nan 8.190 nan 0.000 0.449 840 A N 0.524 123.132 122.820 -0.354 0.000 2.863 840 A HA 0.218 4.536 4.320 -0.003 0.000 0.246 840 A C 1.624 179.134 177.584 -0.123 0.000 1.772 840 A CA 0.970 52.905 52.037 -0.169 0.000 1.456 840 A CB -0.743 18.138 19.000 -0.199 0.000 0.930 840 A HN 0.703 nan 8.150 nan 0.000 0.630 841 S N -2.536 113.090 115.700 -0.124 0.000 2.692 841 S HA 0.062 4.530 4.470 -0.003 0.000 0.269 841 S C 0.019 174.525 174.600 -0.158 0.000 1.080 841 S CA -0.469 57.626 58.200 -0.176 0.000 1.058 841 S CB -0.456 62.582 63.200 -0.270 0.000 0.982 841 S HN 0.530 nan 8.310 nan 0.000 0.534 842 W N 3.433 124.669 121.300 -0.106 0.000 2.565 842 W HA 0.340 4.998 4.660 -0.003 0.000 0.325 842 W C 1.306 177.880 176.519 0.091 0.000 1.408 842 W CA -0.765 56.577 57.345 -0.005 0.000 1.350 842 W CB 0.375 29.873 29.460 0.063 0.000 1.426 842 W HN 0.171 nan 8.180 nan 0.000 0.538 843 I N 2.092 122.811 120.570 0.250 0.000 2.185 843 I HA -0.101 4.067 4.170 -0.003 0.000 0.235 843 I C 0.417 176.646 176.117 0.185 0.000 1.069 843 I CA 1.007 62.365 61.300 0.096 0.000 1.354 843 I CB -1.123 36.885 38.000 0.014 0.000 1.093 843 I HN 0.238 nan 8.210 nan 0.000 0.411 844 N N 2.664 121.533 118.700 0.283 0.000 2.546 844 N HA 0.354 5.092 4.740 -0.003 0.000 0.238 844 N C -2.593 173.117 175.510 0.334 0.000 0.984 844 N CA -1.315 51.905 53.050 0.284 0.000 0.935 844 N CB 0.813 39.407 38.487 0.178 0.000 1.122 844 N HN 0.155 nan 8.380 nan 0.000 0.510 845 P HA 0.204 nan 4.420 nan 0.000 0.293 845 P C -0.436 176.772 177.300 -0.154 0.000 1.300 845 P CA -0.593 62.423 63.100 -0.141 0.000 0.792 845 P CB 0.969 32.594 31.700 -0.126 0.000 0.925 846 K N 3.390 123.661 120.400 -0.214 0.000 2.250 846 K HA -0.094 4.224 4.320 -0.003 0.000 0.277 846 K C 0.534 177.038 176.600 -0.160 0.000 1.091 846 K CA 0.437 56.643 56.287 -0.135 0.000 1.046 846 K CB -0.641 31.789 32.500 -0.117 0.000 0.982 846 K HN 0.445 nan 8.250 nan 0.000 0.429 847 D N 2.510 122.838 120.400 -0.120 0.000 2.913 847 D HA -0.400 4.238 4.640 -0.003 0.000 0.555 847 D C 1.166 177.366 176.300 -0.168 0.000 0.581 847 D CA 2.807 56.732 54.000 -0.125 0.000 1.517 847 D CB -0.331 40.419 40.800 -0.083 0.000 0.270 847 D HN 0.873 nan 8.370 nan 0.000 0.245 848 D N 0.251 120.563 120.400 -0.147 0.000 2.158 848 D HA -0.192 4.446 4.640 -0.003 0.000 0.197 848 D C 2.353 178.507 176.300 -0.244 0.000 0.995 848 D CA 1.565 55.473 54.000 -0.152 0.000 0.846 848 D CB -0.867 39.871 40.800 -0.104 0.000 0.941 848 D HN 0.482 nan 8.370 nan 0.000 0.456 849 L N 0.653 121.671 121.223 -0.341 0.000 2.046 849 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 849 L C 2.751 179.095 176.870 -0.876 0.000 1.077 849 L CA 1.658 56.123 54.840 -0.625 0.000 0.747 849 L CB -0.627 41.044 42.059 -0.647 0.000 0.896 849 L HN -0.024 nan 8.230 nan 0.000 0.432 850 R N -0.603 119.601 120.500 -0.494 0.000 2.081 850 R HA -0.155 4.183 4.340 -0.003 0.000 0.235 850 R C 1.670 177.886 176.300 -0.141 0.000 1.131 850 R CA 1.891 57.836 56.100 -0.258 0.000 0.960 850 R CB -0.307 29.808 30.300 -0.307 0.000 0.856 850 R HN 0.474 nan 8.270 nan 0.000 0.436 851 D N 0.023 120.314 120.400 -0.181 0.000 2.317 851 D HA -0.136 4.502 4.640 -0.003 0.000 0.211 851 D C 1.717 177.981 176.300 -0.059 0.000 0.966 851 D CA 0.805 54.753 54.000 -0.087 0.000 0.876 851 D CB 0.038 40.782 40.800 -0.093 0.000 0.927 851 D HN 0.346 nan 8.370 nan 0.000 0.519 852 M N -0.157 119.334 119.600 -0.181 0.000 2.156 852 M HA -0.110 4.369 4.480 -0.003 0.000 0.264 852 M C 1.508 177.822 176.300 0.024 0.000 1.067 852 M CA 1.164 56.383 55.300 -0.136 0.000 1.131 852 M CB 0.073 32.513 32.600 -0.267 0.000 1.368 852 M HN -0.178 nan 8.290 nan 0.000 0.416 853 F N -0.555 119.460 119.950 0.109 0.000 2.075 853 F HA -0.210 4.315 4.527 -0.003 0.000 0.297 853 F C 2.802 178.699 175.800 0.162 0.000 1.113 853 F CA 1.017 59.102 58.000 0.142 0.000 1.218 853 F CB -1.819 37.192 39.000 0.017 0.000 0.984 853 F HN 0.299 nan 8.300 nan 0.000 0.472 854 C N 0.643 120.169 119.300 0.377 0.000 2.410 854 C HA -0.192 4.266 4.460 -0.003 0.000 0.281 854 C C 2.850 178.039 174.990 0.331 0.000 1.318 854 C CA 1.272 60.499 59.018 0.348 0.000 1.776 854 C CB -1.286 26.634 27.740 0.300 0.000 1.942 854 C HN 0.471 nan 8.230 nan 0.000 0.508 855 K N -0.017 120.523 120.400 0.233 0.000 2.103 855 K HA -0.036 4.282 4.320 -0.003 0.000 0.204 855 K C 1.806 178.549 176.600 0.238 0.000 1.052 855 K CA 1.220 57.622 56.287 0.191 0.000 0.945 855 K CB -0.032 32.536 32.500 0.113 0.000 0.722 855 K HN 0.384 nan 8.250 nan 0.000 0.443 856 I N 1.345 122.075 120.570 0.266 0.000 2.233 856 I HA -0.218 3.950 4.170 -0.003 0.000 0.243 856 I C 2.141 178.456 176.117 0.330 0.000 1.093 856 I CA 1.217 62.680 61.300 0.272 0.000 1.380 856 I CB -1.155 36.981 38.000 0.227 0.000 1.067 856 I HN 0.172 nan 8.210 nan 0.000 0.413 857 L N -0.117 121.320 121.223 0.358 0.000 1.976 857 L HA -0.245 4.093 4.340 -0.003 0.000 0.209 857 L C 2.704 179.667 176.870 0.155 0.000 1.071 857 L CA 1.672 56.719 54.840 0.345 0.000 0.746 857 L CB -1.089 41.100 42.059 0.217 0.000 0.890 857 L HN 0.210 nan 8.230 nan 0.000 0.432 858 H N -0.507 118.630 119.070 0.113 0.000 2.387 858 H HA -0.143 4.411 4.556 -0.003 0.000 0.299 858 H C 2.239 177.584 175.328 0.027 0.000 1.099 858 H CA 1.356 57.406 56.048 0.004 0.000 1.315 858 H CB -0.347 29.423 29.762 0.014 0.000 1.380 858 H HN 0.384 nan 8.280 nan 0.000 0.513 859 G N -0.376 108.578 108.800 0.256 0.000 2.440 859 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.218 859 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.218 859 G C 1.143 176.151 174.900 0.179 0.000 1.154 859 G CA 0.918 46.150 45.100 0.220 0.000 0.767 859 G HN 0.277 nan 8.290 nan 0.000 0.552 860 F N 1.325 121.231 119.950 -0.073 0.000 2.335 860 F HA 0.116 4.641 4.527 -0.003 0.000 0.296 860 F C 2.554 178.249 175.800 -0.176 0.000 1.091 860 F CA 1.118 59.008 58.000 -0.184 0.000 1.399 860 F CB -0.176 38.561 39.000 -0.438 0.000 1.067 860 F HN 0.232 nan 8.300 nan 0.000 0.520 861 K N 0.076 120.425 120.400 -0.085 0.000 2.520 861 K HA -0.153 4.165 4.320 -0.003 0.000 0.197 861 K C 1.034 177.543 176.600 -0.151 0.000 1.043 861 K CA 1.570 57.651 56.287 -0.343 0.000 0.944 861 K CB -0.258 31.581 32.500 -1.102 0.000 0.770 861 K HN 0.119 nan 8.250 nan 0.000 0.480 862 N N 0.513 119.163 118.700 -0.085 0.000 2.387 862 N HA -0.050 4.689 4.740 -0.003 0.000 0.176 862 N C 1.308 176.787 175.510 -0.052 0.000 1.022 862 N CA 0.775 53.789 53.050 -0.059 0.000 0.883 862 N CB -0.027 38.432 38.487 -0.047 0.000 1.019 862 N HN 0.212 nan 8.380 nan 0.000 0.435 863 Q N 0.292 120.042 119.800 -0.083 0.000 2.172 863 Q HA 0.087 4.425 4.340 -0.003 0.000 0.200 863 Q C 1.935 177.920 176.000 -0.025 0.000 0.964 863 Q CA 0.464 56.215 55.803 -0.087 0.000 0.855 863 Q CB -0.161 28.470 28.738 -0.179 0.000 0.918 863 Q HN 0.127 nan 8.270 nan 0.000 0.444 864 V N -1.305 118.623 119.914 0.023 0.000 2.725 864 V HA 0.236 4.354 4.120 -0.003 0.000 0.247 864 V C 0.831 176.990 176.094 0.110 0.000 1.058 864 V CA 1.313 63.674 62.300 0.101 0.000 1.080 864 V CB -0.227 31.717 31.823 0.202 0.000 0.713 864 V HN 0.532 nan 8.190 nan 0.000 0.465 865 G N -0.011 108.840 108.800 0.085 0.000 2.796 865 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.571 865 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.571 865 G C -0.107 174.866 174.900 0.120 0.000 1.370 865 G CA 0.080 45.220 45.100 0.066 0.000 0.856 865 G HN 0.267 nan 8.290 nan 0.000 0.538 866 D N 0.592 121.043 120.400 0.086 0.000 2.077 866 D HA -0.008 4.630 4.640 -0.003 0.000 0.193 866 D C 2.403 178.804 176.300 0.167 0.000 0.989 866 D CA 1.991 56.061 54.000 0.117 0.000 0.831 866 D CB -0.366 40.475 40.800 0.069 0.000 0.979 866 D HN 0.725 nan 8.370 nan 0.000 0.449 867 E N 0.574 120.843 120.200 0.114 0.000 2.219 867 E HA -0.133 4.215 4.350 -0.003 0.000 0.198 867 E C 1.115 177.783 176.600 0.114 0.000 0.998 867 E CA 0.952 57.410 56.400 0.097 0.000 0.818 867 E CB -0.212 29.527 29.700 0.065 0.000 0.741 867 E HN 0.263 nan 8.360 nan 0.000 0.477 868 N N -0.778 118.015 118.700 0.155 0.000 2.205 868 N HA -0.013 4.725 4.740 -0.003 0.000 0.201 868 N C 0.491 176.161 175.510 0.266 0.000 1.128 868 N CA 0.106 53.256 53.050 0.167 0.000 0.867 868 N CB -0.066 38.511 38.487 0.150 0.000 0.996 868 N HN 0.356 nan 8.380 nan 0.000 0.503 869 W N 3.191 124.539 121.300 0.081 0.000 2.476 869 W HA -0.055 4.603 4.660 -0.003 0.000 0.281 869 W C 1.805 178.371 176.519 0.079 0.000 1.230 869 W CA 0.622 58.026 57.345 0.098 0.000 1.287 869 W CB 0.304 29.802 29.460 0.063 0.000 1.108 869 W HN 0.089 nan 8.180 nan 0.000 0.567 870 R N 0.842 121.386 120.500 0.073 0.000 2.120 870 R HA -0.131 4.207 4.340 -0.003 0.000 0.234 870 R C 1.888 178.092 176.300 -0.161 0.000 1.123 870 R CA 1.481 57.540 56.100 -0.069 0.000 0.975 870 R CB -0.931 29.372 30.300 0.005 0.000 0.866 870 R HN 0.107 nan 8.270 nan 0.000 0.446 871 R N -0.733 119.709 120.500 -0.096 0.000 2.237 871 R HA -0.025 4.313 4.340 -0.003 0.000 0.219 871 R C 1.092 177.201 176.300 -0.319 0.000 1.080 871 R CA 1.142 57.150 56.100 -0.153 0.000 0.995 871 R CB -0.144 30.112 30.300 -0.072 0.000 0.875 871 R HN 0.261 nan 8.270 nan 0.000 0.462 872 F N -0.070 119.620 119.950 -0.433 0.000 2.389 872 F HA -0.053 4.472 4.527 -0.003 0.000 0.275 872 F C 2.685 177.878 175.800 -1.011 0.000 1.009 872 F CA 0.992 58.623 58.000 -0.614 0.000 1.187 872 F CB -0.538 38.024 39.000 -0.731 0.000 1.139 872 F HN -0.097 nan 8.300 nan 0.000 0.613 873 S N 0.044 115.093 115.700 -1.085 0.000 2.380 873 S HA -0.258 4.210 4.470 -0.003 0.000 0.229 873 S C 1.552 175.541 174.600 -1.019 0.000 1.043 873 S CA 1.838 59.175 58.200 -1.439 0.000 1.038 873 S CB -0.859 61.931 63.200 -0.684 0.000 0.872 873 S HN 0.327 nan 8.310 nan 0.000 0.456 874 D N 1.326 121.409 120.400 -0.527 0.000 2.182 874 D HA -0.133 4.505 4.640 -0.003 0.000 0.201 874 D C 2.002 178.148 176.300 -0.256 0.000 0.986 874 D CA 1.142 54.974 54.000 -0.280 0.000 0.847 874 D CB -0.487 40.205 40.800 -0.180 0.000 0.942 874 D HN 0.641 nan 8.370 nan 0.000 0.467 875 Q N -0.620 118.959 119.800 -0.369 0.000 2.291 875 Q HA -0.094 4.244 4.340 -0.003 0.000 0.205 875 Q C -0.007 175.984 176.000 -0.016 0.000 0.970 875 Q CA 0.106 55.791 55.803 -0.197 0.000 0.876 875 Q CB 0.067 28.678 28.738 -0.212 0.000 0.935 875 Q HN 0.070 nan 8.270 nan 0.000 0.455 876 F N 1.976 121.901 119.950 -0.041 0.000 2.607 876 F HA 0.102 4.627 4.527 -0.003 0.000 0.374 876 F C -1.620 174.164 175.800 -0.028 0.000 1.104 876 F CA -2.458 55.525 58.000 -0.030 0.000 1.296 876 F CB -0.653 38.339 39.000 -0.013 0.000 1.085 876 F HN 0.044 nan 8.300 nan 0.000 0.584 877 P HA 0.001 nan 4.420 nan 0.000 0.269 877 P C 1.252 178.594 177.300 0.069 0.000 1.215 877 P CA -0.439 62.703 63.100 0.069 0.000 0.780 877 P CB 0.731 32.439 31.700 0.013 0.000 0.898 878 L N 3.470 124.720 121.223 0.046 0.000 2.042 878 L HA -0.099 4.239 4.340 -0.003 0.000 0.210 878 L C -0.884 176.004 176.870 0.030 0.000 1.076 878 L CA 2.750 57.617 54.840 0.045 0.000 0.749 878 L CB -2.106 39.971 42.059 0.031 0.000 0.893 878 L HN 0.332 nan 8.230 nan 0.000 0.432 879 P HA -0.181 nan 4.420 nan 0.000 0.214 879 P C 1.853 179.139 177.300 -0.024 0.000 1.162 879 P CA 1.023 64.117 63.100 -0.010 0.000 0.879 879 P CB -0.178 31.506 31.700 -0.027 0.000 0.786 880 L N 0.529 121.716 121.223 -0.061 0.000 2.013 880 L HA -0.182 4.156 4.340 -0.003 0.000 0.212 880 L C 2.212 178.996 176.870 -0.144 0.000 1.073 880 L CA 2.091 56.846 54.840 -0.142 0.000 0.753 880 L CB -1.409 40.510 42.059 -0.233 0.000 0.890 880 L HN -0.182 nan 8.230 nan 0.000 0.432 881 K N -0.730 119.640 120.400 -0.051 0.000 2.063 881 K HA -0.258 4.060 4.320 -0.003 0.000 0.208 881 K C 2.051 178.706 176.600 0.093 0.000 1.048 881 K CA 2.000 58.340 56.287 0.088 0.000 0.928 881 K CB -0.049 32.599 32.500 0.246 0.000 0.713 881 K HN 0.409 nan 8.250 nan 0.000 0.442 882 E N -0.078 120.162 120.200 0.067 0.000 2.208 882 E HA -0.066 4.282 4.350 -0.003 0.000 0.193 882 E C 1.904 178.554 176.600 0.083 0.000 0.988 882 E CA 0.753 57.197 56.400 0.074 0.000 0.828 882 E CB 0.127 29.858 29.700 0.052 0.000 0.763 882 E HN 0.176 nan 8.360 nan 0.000 0.478 883 R N -0.268 120.274 120.500 0.070 0.000 2.161 883 R HA 0.079 4.417 4.340 -0.003 0.000 0.213 883 R C 2.161 178.600 176.300 0.232 0.000 1.055 883 R CA 0.358 56.533 56.100 0.124 0.000 0.996 883 R CB -0.002 30.349 30.300 0.085 0.000 0.901 883 R HN 0.231 nan 8.270 nan 0.000 0.456 884 L N 0.101 121.407 121.223 0.138 0.000 1.993 884 L HA 0.039 4.377 4.340 -0.003 0.000 0.206 884 L C 2.086 179.094 176.870 0.229 0.000 1.074 884 L CA 1.548 56.480 54.840 0.153 0.000 0.746 884 L CB -0.393 41.646 42.059 -0.033 0.000 0.896 884 L HN 0.181 nan 8.230 nan 0.000 0.435 885 A N -0.631 122.304 122.820 0.192 0.000 2.259 885 A HA 0.022 4.340 4.320 -0.003 0.000 0.212 885 A C 1.874 179.566 177.584 0.179 0.000 1.178 885 A CA 1.408 53.562 52.037 0.195 0.000 0.734 885 A CB -0.649 18.468 19.000 0.194 0.000 0.774 885 A HN 0.637 nan 8.150 nan 0.000 0.481 886 A N -1.293 121.646 122.820 0.199 0.000 2.054 886 A HA 0.360 4.678 4.320 -0.003 0.000 0.221 886 A C 1.722 179.450 177.584 0.240 0.000 1.587 886 A CA 0.633 52.785 52.037 0.191 0.000 0.664 886 A CB -0.691 18.406 19.000 0.163 0.000 1.248 886 A HN 0.464 nan 8.150 nan 0.000 0.527 887 F N -1.092 118.896 119.950 0.063 0.000 2.546 887 F HA -0.016 4.510 4.527 -0.003 0.000 0.298 887 F C 1.233 176.807 175.800 -0.377 0.000 1.120 887 F CA 0.816 58.716 58.000 -0.167 0.000 1.456 887 F CB 0.124 38.959 39.000 -0.274 0.000 1.088 887 F HN 0.389 nan 8.300 nan 0.000 0.572 888 Y N -1.554 118.773 120.300 0.045 0.000 2.725 888 Y HA 0.478 5.026 4.550 -0.003 0.000 0.112 888 Y C 1.271 177.215 175.900 0.073 0.000 0.888 888 Y CA -0.208 57.887 58.100 -0.008 0.000 1.840 888 Y CB -0.730 37.757 38.460 0.044 0.000 1.177 888 Y HN -0.316 nan 8.280 nan 0.000 0.263 889 G N -0.052 108.933 108.800 0.308 0.000 3.175 889 G HA2 0.520 4.478 3.960 -0.003 0.000 0.255 889 G HA3 0.520 4.478 3.960 -0.003 0.000 0.255 889 G C -0.870 174.093 174.900 0.105 0.000 1.352 889 G CA -0.604 44.655 45.100 0.264 0.000 1.037 889 G HN 0.108 nan 8.290 nan 0.000 0.556 890 V N 0.000 119.915 119.914 0.001 0.000 2.409 890 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 890 V CA 0.000 62.318 62.300 0.030 0.000 1.235 890 V CB 0.000 31.840 31.823 0.029 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556