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 3i7o_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGcVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQSGESIDI DATA SEQUENCE ITRAHGNVQD RIGRPSETGI IGIIDPECRM IGLRLYDGLF KVIPLDRDNK DATA SEQUENCE ELKAFNIRLE ELHVIDVKFL YGCQAPTICF VYQDPQGRHV KTYEVSLREK DATA SEQUENCE EFNKGPWKQE NVEAEASMVI AVPEPFGGAI IIGQESITYH NGDKYLAIAP DATA SEQUENCE PIIKQSTIVC HNRVDPNGSR YLLGDMEGRL FMLLLEKEEQ MDGTVTLKDL DATA SEQUENCE RVELLGETSI AEcLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TYDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDSN DATA SEQUENCE GLSPLCAIGL WTDISARILK LPSFELLHKE MLGGEIIPRS ILMTTFESSH DATA SEQUENCE YLLCALGDGA LFYFGLNIET GLLSDRKKVT LGTQPTVLRT FRSLSTTNVF DATA SEQUENCE ACSDRPTVIY SSNHKLVFSN VNLKEVNYMC PLNSDGYPDS LALANNSTLT DATA SEQUENCE IGTIDEIQKL HIRTVPLYES PRKICYQEVS QCFGVLSSRI EVQDTSGGTT DATA SEQUENCE ALRPSASTQA LSSSVSSSKL FSSXXXXXXX XXGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQXXXXX XXPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NXXXXXXXXX XREATADDLI KVVEELTRIH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.708 176.300 -0.986 0.000 1.140 1 M CA 0.000 55.022 55.300 -0.463 0.000 0.988 1 M CB 0.000 32.485 32.600 -0.192 0.000 1.302 2 S N 1.229 116.420 115.700 -0.849 0.000 2.525 2 S HA 0.858 5.332 4.470 0.006 0.000 0.290 2 S C -1.415 172.594 174.600 -0.985 0.000 1.152 2 S CA -0.214 57.478 58.200 -0.847 0.000 1.072 2 S CB 0.809 63.723 63.200 -0.478 0.000 1.027 2 S HN 0.477 nan 8.310 nan 0.000 0.500 3 Y N 3.082 123.107 120.300 -0.458 0.000 2.327 3 Y HA 0.540 5.094 4.550 0.006 0.000 0.325 3 Y C 0.198 175.879 175.900 -0.366 0.000 0.999 3 Y CA -1.160 56.604 58.100 -0.560 0.000 1.195 3 Y CB 1.110 39.270 38.460 -0.499 0.000 1.132 3 Y HN 0.629 nan 8.280 nan 0.000 0.455 4 N N 1.403 119.925 118.700 -0.296 0.000 2.405 4 N HA 0.376 5.120 4.740 0.006 0.000 0.285 4 N C -1.981 173.538 175.510 0.015 0.000 1.262 4 N CA -0.880 52.022 53.050 -0.247 0.000 0.773 4 N CB 3.087 41.206 38.487 -0.614 0.000 1.490 4 N HN 0.581 nan 8.380 nan 0.000 0.486 5 Y N 0.593 120.869 120.300 -0.040 0.000 2.425 5 Y HA 0.488 5.041 4.550 0.006 0.000 0.344 5 Y C -0.951 174.986 175.900 0.061 0.000 0.969 5 Y CA -0.666 57.456 58.100 0.036 0.000 1.052 5 Y CB 1.253 39.731 38.460 0.030 0.000 1.215 5 Y HN 0.271 nan 8.280 nan 0.000 0.451 6 V N 4.208 123.982 119.914 -0.234 0.000 2.656 6 V HA 0.919 5.043 4.120 0.006 0.000 0.307 6 V C -1.184 174.778 176.094 -0.219 0.000 1.051 6 V CA -1.028 61.223 62.300 -0.082 0.000 0.893 6 V CB 0.994 32.756 31.823 -0.101 0.000 0.999 6 V HN 0.623 nan 8.190 nan 0.000 0.426 7 V N 0.400 120.278 119.914 -0.059 0.000 2.971 7 V HA 0.586 4.710 4.120 0.006 0.000 0.309 7 V C 0.166 176.162 176.094 -0.163 0.000 1.130 7 V CA -0.638 61.604 62.300 -0.097 0.000 0.964 7 V CB 1.759 33.549 31.823 -0.055 0.000 1.029 7 V HN 0.877 nan 8.190 nan 0.000 0.427 8 T N 2.383 116.852 114.554 -0.142 0.000 2.916 8 T HA 0.435 4.789 4.350 0.006 0.000 0.303 8 T C 1.062 175.508 174.700 -0.423 0.000 1.025 8 T CA 0.687 62.669 62.100 -0.197 0.000 1.142 8 T CB 1.459 70.288 68.868 -0.064 0.000 0.947 8 T HN 1.109 nan 8.240 nan 0.000 0.544 9 A N 2.948 125.537 122.820 -0.384 0.000 2.035 9 A HA 0.311 4.634 4.320 0.006 0.000 0.208 9 A C 0.850 178.373 177.584 -0.101 0.000 1.206 9 A CA 0.322 52.176 52.037 -0.306 0.000 0.773 9 A CB 0.207 19.074 19.000 -0.223 0.000 0.878 9 A HN 0.644 nan 8.150 nan 0.000 0.469 10 Q N 0.296 120.025 119.800 -0.119 0.000 2.284 10 Q HA 0.441 4.785 4.340 0.006 0.000 0.269 10 Q C -1.269 174.697 176.000 -0.057 0.000 1.026 10 Q CA -0.466 55.299 55.803 -0.063 0.000 0.831 10 Q CB 1.206 29.902 28.738 -0.069 0.000 1.322 10 Q HN 0.263 nan 8.270 nan 0.000 0.419 11 K N 4.023 124.410 120.400 -0.021 0.000 2.276 11 K HA 0.269 4.593 4.320 0.006 0.000 0.259 11 K C -2.151 174.443 176.600 -0.010 0.000 1.001 11 K CA -1.476 54.808 56.287 -0.006 0.000 0.927 11 K CB 0.053 32.560 32.500 0.011 0.000 0.969 11 K HN 0.573 nan 8.250 nan 0.000 0.490 12 P HA -0.107 nan 4.420 nan 0.000 0.263 12 P C 0.104 177.404 177.300 -0.001 0.000 1.175 12 P CA 0.556 63.654 63.100 -0.003 0.000 0.761 12 P CB 0.459 32.160 31.700 0.001 0.000 0.794 13 T N -1.284 113.268 114.554 -0.003 0.000 2.959 13 T HA 0.306 4.660 4.350 0.006 0.000 0.254 13 T C 0.923 175.632 174.700 0.015 0.000 1.003 13 T CA -0.008 62.098 62.100 0.009 0.000 0.950 13 T CB -0.047 68.823 68.868 0.003 0.000 1.090 13 T HN 0.485 nan 8.240 nan 0.000 0.503 14 A N 1.689 124.509 122.820 0.001 0.000 2.511 14 A HA 0.535 4.859 4.320 0.006 0.000 0.242 14 A C 0.141 177.733 177.584 0.013 0.000 1.069 14 A CA -0.238 51.800 52.037 0.002 0.000 0.763 14 A CB 0.079 19.071 19.000 -0.012 0.000 1.001 14 A HN 0.331 nan 8.150 nan 0.000 0.498 15 V N 4.229 124.160 119.914 0.027 0.000 2.383 15 V HA 0.145 4.269 4.120 0.006 0.000 0.275 15 V C 0.670 176.782 176.094 0.030 0.000 1.036 15 V CA -0.432 61.898 62.300 0.050 0.000 0.889 15 V CB 1.041 32.934 31.823 0.116 0.000 0.985 15 V HN 1.021 nan 8.190 nan 0.000 0.459 16 N N 3.473 122.182 118.700 0.014 0.000 2.432 16 N HA 0.172 4.916 4.740 0.006 0.000 0.174 16 N C 0.571 176.083 175.510 0.003 0.000 1.037 16 N CA 0.769 53.818 53.050 -0.002 0.000 0.892 16 N CB 1.287 39.760 38.487 -0.024 0.000 1.049 16 N HN 0.742 nan 8.380 nan 0.000 0.442 17 G N -0.117 108.688 108.800 0.009 0.000 2.660 17 G HA2 0.535 4.499 3.960 0.006 0.000 0.290 17 G HA3 0.535 4.499 3.960 0.006 0.000 0.290 17 G C -1.367 173.544 174.900 0.019 0.000 1.432 17 G CA -0.425 44.682 45.100 0.011 0.000 0.807 17 G HN 0.281 nan 8.290 nan 0.000 0.485 18 c N -1.565 117.049 118.600 0.023 0.000 3.312 18 c HA 0.917 5.490 4.570 0.006 0.000 0.332 18 c C -1.124 172.964 174.090 -0.004 0.000 1.340 18 c CA -0.819 55.510 56.329 0.000 0.000 1.265 18 c CB 1.161 43.701 42.510 0.050 0.000 1.563 18 c HN 1.683 nan 8.230 nan 0.000 0.471 19 V N 0.263 120.151 119.914 -0.043 0.000 3.225 19 V HA 0.849 4.973 4.120 0.006 0.000 0.293 19 V C -0.825 175.234 176.094 -0.058 0.000 1.405 19 V CA 0.713 62.997 62.300 -0.026 0.000 1.038 19 V CB 2.322 34.130 31.823 -0.026 0.000 1.123 19 V HN 1.567 nan 8.190 nan 0.000 0.447 20 T N 2.336 116.870 114.554 -0.034 0.000 2.900 20 T HA 0.948 5.302 4.350 0.006 0.000 0.295 20 T C -0.266 174.391 174.700 -0.072 0.000 1.044 20 T CA 0.658 62.719 62.100 -0.065 0.000 0.995 20 T CB 1.328 70.171 68.868 -0.041 0.000 1.072 20 T HN 2.274 nan 8.240 nan 0.000 0.473 21 G N 2.312 111.005 108.800 -0.179 0.000 2.356 21 G HA2 0.281 4.245 3.960 0.006 0.000 0.266 21 G HA3 0.281 4.245 3.960 0.006 0.000 0.266 21 G C -1.979 172.663 174.900 -0.431 0.000 1.312 21 G CA -0.774 44.171 45.100 -0.258 0.000 0.922 21 G HN 0.885 nan 8.290 nan 0.000 0.480 22 H N -0.112 119.003 119.070 0.076 0.000 2.786 22 H HA 0.589 5.149 4.556 0.006 0.000 0.284 22 H C -0.013 175.384 175.328 0.114 0.000 1.104 22 H CA -0.522 55.565 56.048 0.066 0.000 1.339 22 H CB 1.216 31.001 29.762 0.038 0.000 1.427 22 H HN 0.434 nan 8.280 nan 0.000 0.497 23 F N 1.023 120.964 119.950 -0.014 0.000 2.667 23 F HA 0.104 4.634 4.527 0.006 0.000 0.288 23 F C 1.685 177.448 175.800 -0.062 0.000 1.086 23 F CA 0.443 58.423 58.000 -0.034 0.000 1.297 23 F CB 0.497 39.453 39.000 -0.074 0.000 1.059 23 F HN 0.366 nan 8.300 nan 0.000 0.624 24 T N 0.175 114.595 114.554 -0.223 0.000 2.701 24 T HA 0.070 4.424 4.350 0.006 0.000 0.263 24 T C 0.383 175.043 174.700 -0.066 0.000 1.040 24 T CA 1.595 63.483 62.100 -0.353 0.000 1.147 24 T CB -0.212 68.433 68.868 -0.371 0.000 0.865 24 T HN 0.208 nan 8.240 nan 0.000 0.426 25 S N -1.379 114.319 115.700 -0.004 0.000 2.596 25 S HA 0.673 5.146 4.470 0.006 0.000 0.270 25 S C 0.924 175.559 174.600 0.059 0.000 1.155 25 S CA -0.385 57.830 58.200 0.024 0.000 0.827 25 S CB 1.552 64.765 63.200 0.021 0.000 1.130 25 S HN 0.214 nan 8.310 nan 0.000 0.467 26 A N 0.243 123.071 122.820 0.013 0.000 1.969 26 A HA 0.043 4.367 4.320 0.006 0.000 0.218 26 A C 0.596 178.116 177.584 -0.107 0.000 1.169 26 A CA 1.389 53.402 52.037 -0.039 0.000 0.635 26 A CB -0.372 18.596 19.000 -0.054 0.000 0.810 26 A HN 0.680 nan 8.150 nan 0.000 0.445 27 E N 1.150 121.336 120.200 -0.024 0.000 3.012 27 E HA 0.423 4.777 4.350 0.006 0.000 0.228 27 E C -1.717 174.938 176.600 0.091 0.000 1.184 27 E CA -0.099 56.299 56.400 -0.004 0.000 1.407 27 E CB 0.312 30.004 29.700 -0.014 0.000 1.438 27 E HN 0.468 nan 8.360 nan 0.000 0.435 28 D N 0.315 120.857 120.400 0.236 0.000 2.688 28 D HA 0.096 4.740 4.640 0.006 0.000 0.210 28 D C -1.296 175.094 176.300 0.149 0.000 1.333 28 D CA -0.605 53.493 54.000 0.163 0.000 0.920 28 D CB 1.030 41.867 40.800 0.061 0.000 1.554 28 D HN 0.003 nan 8.370 nan 0.000 0.579 29 L N 2.991 124.235 121.223 0.035 0.000 2.515 29 L HA 0.276 4.619 4.340 0.006 0.000 0.281 29 L C -0.429 176.362 176.870 -0.132 0.000 1.131 29 L CA 0.046 54.797 54.840 -0.148 0.000 0.905 29 L CB -0.558 41.474 42.059 -0.046 0.000 1.246 29 L HN 0.309 nan 8.230 nan 0.000 0.463 30 N N 5.137 123.740 118.700 -0.162 0.000 2.479 30 N HA 0.329 5.073 4.740 0.006 0.000 0.285 30 N C -0.680 174.764 175.510 -0.110 0.000 1.075 30 N CA -0.553 52.437 53.050 -0.101 0.000 0.967 30 N CB 2.417 40.866 38.487 -0.063 0.000 1.137 30 N HN 0.481 nan 8.380 nan 0.000 0.472 31 L N 1.629 122.802 121.223 -0.083 0.000 2.296 31 L HA 0.502 4.846 4.340 0.006 0.000 0.286 31 L C -1.485 175.339 176.870 -0.077 0.000 1.023 31 L CA -0.675 54.092 54.840 -0.123 0.000 0.812 31 L CB 0.749 42.667 42.059 -0.236 0.000 1.223 31 L HN 0.266 nan 8.230 nan 0.000 0.421 32 L N 6.606 127.756 121.223 -0.123 0.000 2.287 32 L HA 0.510 4.854 4.340 0.006 0.000 0.287 32 L C -0.354 176.439 176.870 -0.128 0.000 1.022 32 L CA 0.112 54.873 54.840 -0.132 0.000 0.814 32 L CB 1.418 43.357 42.059 -0.199 0.000 1.217 32 L HN 0.577 nan 8.230 nan 0.000 0.420 33 I N 3.187 123.697 120.570 -0.100 0.000 2.355 33 I HA 0.520 4.694 4.170 0.006 0.000 0.288 33 I C 0.134 176.215 176.117 -0.059 0.000 0.999 33 I CA -0.554 60.691 61.300 -0.093 0.000 1.163 33 I CB 1.673 39.608 38.000 -0.109 0.000 1.316 33 I HN 0.678 nan 8.210 nan 0.000 0.454 34 A N 6.713 129.503 122.820 -0.050 0.000 2.269 34 A HA 0.479 4.802 4.320 0.006 0.000 0.302 34 A C 0.245 177.811 177.584 -0.030 0.000 1.266 34 A CA -0.436 51.568 52.037 -0.055 0.000 0.894 34 A CB 0.488 19.448 19.000 -0.066 0.000 1.147 34 A HN 0.693 nan 8.150 nan 0.000 0.537 35 K N 1.342 121.724 120.400 -0.031 0.000 3.031 35 K HA 0.127 4.451 4.320 0.006 0.000 0.165 35 K C 1.547 178.125 176.600 -0.037 0.000 1.137 35 K CA 1.290 57.565 56.287 -0.020 0.000 1.375 35 K CB -0.170 32.324 32.500 -0.010 0.000 1.914 35 K HN 0.717 nan 8.250 nan 0.000 0.490 36 N N -1.065 117.613 118.700 -0.036 0.000 2.622 36 N HA -0.046 4.698 4.740 0.006 0.000 0.213 36 N C 0.247 175.715 175.510 -0.069 0.000 1.037 36 N CA 1.346 54.367 53.050 -0.048 0.000 0.999 36 N CB 0.129 38.595 38.487 -0.034 0.000 1.342 36 N HN 0.365 nan 8.380 nan 0.000 0.465 37 T N -1.534 112.988 114.554 -0.053 0.000 3.269 37 T HA 0.505 4.859 4.350 0.006 0.000 0.269 37 T C -0.159 174.483 174.700 -0.097 0.000 0.993 37 T CA -0.574 61.462 62.100 -0.107 0.000 0.909 37 T CB -0.045 68.797 68.868 -0.042 0.000 1.115 37 T HN -0.072 nan 8.240 nan 0.000 0.543 38 R N 0.910 121.360 120.500 -0.083 0.000 2.533 38 R HA 0.536 4.879 4.340 0.006 0.000 0.288 38 R C -1.654 174.595 176.300 -0.085 0.000 1.039 38 R CA -0.929 55.128 56.100 -0.073 0.000 0.909 38 R CB 2.035 32.312 30.300 -0.039 0.000 1.195 38 R HN 0.340 nan 8.270 nan 0.000 0.438 39 L N 1.787 122.952 121.223 -0.097 0.000 2.295 39 L HA 0.463 4.807 4.340 0.006 0.000 0.285 39 L C -0.314 176.491 176.870 -0.108 0.000 1.035 39 L CA -0.011 54.766 54.840 -0.104 0.000 0.806 39 L CB 1.298 43.290 42.059 -0.112 0.000 1.214 39 L HN 0.521 nan 8.230 nan 0.000 0.426 40 E N 4.682 124.808 120.200 -0.123 0.000 2.187 40 E HA 0.560 4.913 4.350 0.006 0.000 0.268 40 E C -1.246 175.166 176.600 -0.314 0.000 0.896 40 E CA -0.417 55.851 56.400 -0.219 0.000 0.766 40 E CB 1.716 31.353 29.700 -0.105 0.000 1.142 40 E HN 0.500 nan 8.360 nan 0.000 0.408 41 I N 3.747 124.012 120.570 -0.509 0.000 2.436 41 I HA 0.367 4.540 4.170 0.006 0.000 0.289 41 I C -1.091 174.650 176.117 -0.627 0.000 1.010 41 I CA -0.790 60.277 61.300 -0.389 0.000 1.098 41 I CB 0.899 38.793 38.000 -0.178 0.000 1.266 41 I HN 0.504 nan 8.210 nan 0.000 0.434 42 Y N 4.183 124.397 120.300 -0.142 0.000 2.499 42 Y HA 0.531 5.084 4.550 0.006 0.000 0.347 42 Y C -0.159 175.663 175.900 -0.128 0.000 0.987 42 Y CA -1.037 56.981 58.100 -0.136 0.000 1.044 42 Y CB 2.370 40.720 38.460 -0.184 0.000 1.245 42 Y HN 0.153 nan 8.280 nan 0.000 0.461 43 V N 3.496 123.445 119.914 0.058 0.000 2.427 43 V HA 0.279 4.403 4.120 0.006 0.000 0.286 43 V C -0.277 175.831 176.094 0.025 0.000 1.034 43 V CA -1.081 61.225 62.300 0.010 0.000 0.893 43 V CB 1.230 33.047 31.823 -0.011 0.000 0.982 43 V HN 0.526 nan 8.190 nan 0.000 0.452 44 V N 5.103 125.008 119.914 -0.015 0.000 2.529 44 V HA 0.323 4.447 4.120 0.006 0.000 0.292 44 V C 0.766 176.852 176.094 -0.013 0.000 1.028 44 V CA 0.228 62.509 62.300 -0.031 0.000 1.074 44 V CB 0.615 32.398 31.823 -0.066 0.000 0.958 44 V HN 1.111 nan 8.190 nan 0.000 0.481 45 T N 1.664 116.216 114.554 -0.002 0.000 2.930 45 T HA 0.689 5.043 4.350 0.006 0.000 0.290 45 T C 1.208 175.910 174.700 0.004 0.000 1.052 45 T CA -0.128 61.976 62.100 0.007 0.000 1.017 45 T CB 1.956 70.836 68.868 0.020 0.000 1.137 45 T HN 0.698 nan 8.240 nan 0.000 0.511 46 A N 0.633 123.458 122.820 0.008 0.000 1.929 46 A HA -0.240 4.083 4.320 0.006 0.000 0.221 46 A C 2.202 179.795 177.584 0.014 0.000 1.211 46 A CA 2.389 54.432 52.037 0.009 0.000 0.657 46 A CB -1.155 17.853 19.000 0.013 0.000 0.827 46 A HN 0.949 nan 8.150 nan 0.000 0.462 47 E N -0.698 119.514 120.200 0.021 0.000 2.047 47 E HA 0.168 4.521 4.350 0.006 0.000 0.191 47 E C 1.234 177.853 176.600 0.032 0.000 0.987 47 E CA 1.603 58.020 56.400 0.028 0.000 0.799 47 E CB -0.139 29.584 29.700 0.038 0.000 0.752 47 E HN 0.722 nan 8.360 nan 0.000 0.449 48 G N -0.171 108.647 108.800 0.030 0.000 2.350 48 G HA2 0.009 3.973 3.960 0.006 0.000 0.085 48 G HA3 0.009 3.973 3.960 0.006 0.000 0.085 48 G C -1.562 173.349 174.900 0.019 0.000 1.159 48 G CA -0.217 44.902 45.100 0.031 0.000 1.146 48 G HN 0.061 nan 8.290 nan 0.000 0.449 49 L N 1.792 123.023 121.223 0.013 0.000 2.281 49 L HA 0.589 4.933 4.340 0.006 0.000 0.285 49 L C 0.902 177.843 176.870 0.118 0.000 1.074 49 L CA -0.243 54.586 54.840 -0.018 0.000 0.817 49 L CB 1.055 42.912 42.059 -0.337 0.000 1.168 49 L HN 0.576 nan 8.230 nan 0.000 0.434 50 R N 5.522 126.113 120.500 0.151 0.000 2.215 50 R HA 0.392 4.736 4.340 0.006 0.000 0.336 50 R C -2.418 174.008 176.300 0.210 0.000 0.996 50 R CA -1.688 54.503 56.100 0.152 0.000 0.847 50 R CB 1.110 31.456 30.300 0.076 0.000 1.127 50 R HN 0.312 nan 8.270 nan 0.000 0.465 51 P HA -0.033 nan 4.420 nan 0.000 0.268 51 P C -0.176 177.075 177.300 -0.081 0.000 1.204 51 P CA 0.014 63.099 63.100 -0.024 0.000 0.768 51 P CB 1.202 32.940 31.700 0.065 0.000 0.842 52 V N 1.930 121.724 119.914 -0.200 0.000 3.350 52 V HA 0.245 4.369 4.120 0.006 0.000 0.246 52 V C 0.214 176.277 176.094 -0.052 0.000 1.363 52 V CA 0.903 63.146 62.300 -0.095 0.000 1.162 52 V CB 0.277 32.026 31.823 -0.122 0.000 0.947 52 V HN 0.446 nan 8.190 nan 0.000 0.454 53 K N 0.590 120.914 120.400 -0.128 0.000 2.583 53 K HA 0.388 4.712 4.320 0.006 0.000 0.260 53 K C -1.454 175.075 176.600 -0.119 0.000 0.931 53 K CA -0.111 56.149 56.287 -0.045 0.000 0.849 53 K CB 1.694 34.255 32.500 0.101 0.000 1.347 53 K HN -0.030 nan 8.250 nan 0.000 0.425 54 E N 3.722 123.877 120.200 -0.074 0.000 2.675 54 E HA 0.217 4.571 4.350 0.006 0.000 0.236 54 E C -0.839 175.731 176.600 -0.050 0.000 1.059 54 E CA -0.493 55.858 56.400 -0.082 0.000 0.775 54 E CB 0.912 30.571 29.700 -0.069 0.000 1.356 54 E HN 0.500 nan 8.360 nan 0.000 0.403 55 V N 0.363 120.245 119.914 -0.053 0.000 2.686 55 V HA 0.855 4.978 4.120 0.006 0.000 0.295 55 V C 0.660 176.702 176.094 -0.087 0.000 1.057 55 V CA -0.478 61.785 62.300 -0.063 0.000 1.012 55 V CB 1.519 33.309 31.823 -0.056 0.000 1.006 55 V HN 0.390 nan 8.190 nan 0.000 0.477 56 G N 3.065 111.799 108.800 -0.109 0.000 2.462 56 G HA2 0.678 4.641 3.960 0.006 0.000 0.319 56 G HA3 0.678 4.641 3.960 0.006 0.000 0.319 56 G C -0.767 173.983 174.900 -0.250 0.000 1.171 56 G CA -0.994 44.019 45.100 -0.144 0.000 0.920 56 G HN 0.756 nan 8.290 nan 0.000 0.499 57 M N -0.553 118.870 119.600 -0.295 0.000 2.690 57 M HA 0.300 4.784 4.480 0.006 0.000 0.302 57 M C -1.137 174.832 176.300 -0.551 0.000 1.234 57 M CA -0.771 54.280 55.300 -0.414 0.000 0.853 57 M CB 2.578 34.983 32.600 -0.326 0.000 1.748 57 M HN 0.432 nan 8.290 nan 0.000 0.469 58 Y N 0.921 120.864 120.300 -0.596 0.000 2.903 58 Y HA 0.566 5.120 4.550 0.006 0.000 0.387 58 Y C 0.610 175.583 175.900 -1.545 0.000 1.189 58 Y CA -0.656 56.756 58.100 -1.148 0.000 1.856 58 Y CB -0.404 37.801 38.460 -0.426 0.000 1.917 58 Y HN 0.696 nan 8.280 nan 0.000 0.448 59 G N 0.182 107.993 108.800 -1.649 0.000 2.377 59 G HA2 0.241 4.204 3.960 0.006 0.000 0.297 59 G HA3 0.241 4.204 3.960 0.006 0.000 0.297 59 G C -1.492 173.097 174.900 -0.518 0.000 1.547 59 G CA -1.263 43.275 45.100 -0.936 0.000 0.833 59 G HN 0.032 nan 8.290 nan 0.000 0.583 60 K N 1.080 121.386 120.400 -0.156 0.000 2.285 60 K HA 0.336 4.659 4.320 0.006 0.000 0.286 60 K C 0.342 176.867 176.600 -0.126 0.000 1.072 60 K CA -0.363 55.876 56.287 -0.080 0.000 0.913 60 K CB 1.463 33.971 32.500 0.013 0.000 1.067 60 K HN 0.376 nan 8.250 nan 0.000 0.479 61 I N 2.966 123.450 120.570 -0.144 0.000 2.664 61 I HA -0.155 4.019 4.170 0.006 0.000 0.284 61 I C 1.164 177.212 176.117 -0.114 0.000 1.154 61 I CA 0.381 61.593 61.300 -0.145 0.000 1.402 61 I CB 0.781 38.696 38.000 -0.141 0.000 1.395 61 I HN 0.791 nan 8.210 nan 0.000 0.545 62 A N 6.412 129.158 122.820 -0.124 0.000 2.167 62 A HA 0.386 4.710 4.320 0.006 0.000 0.208 62 A C 0.480 178.023 177.584 -0.069 0.000 1.198 62 A CA 0.280 52.259 52.037 -0.096 0.000 0.863 62 A CB 0.585 19.511 19.000 -0.124 0.000 0.904 62 A HN 0.444 nan 8.150 nan 0.000 0.484 63 V N 0.273 120.135 119.914 -0.087 0.000 2.686 63 V HA 0.547 4.670 4.120 0.006 0.000 0.306 63 V C -0.779 175.273 176.094 -0.069 0.000 1.065 63 V CA -0.202 62.080 62.300 -0.029 0.000 0.894 63 V CB 1.607 33.472 31.823 0.070 0.000 1.004 63 V HN 0.474 nan 8.190 nan 0.000 0.424 64 M N 4.479 124.074 119.600 -0.008 0.000 2.098 64 M HA 0.562 5.045 4.480 0.006 0.000 0.265 64 M C -1.684 174.644 176.300 0.047 0.000 0.940 64 M CA -0.164 55.120 55.300 -0.027 0.000 1.007 64 M CB 1.309 33.867 32.600 -0.072 0.000 1.823 64 M HN 0.613 nan 8.290 nan 0.000 0.453 65 E N 4.340 124.615 120.200 0.125 0.000 2.293 65 E HA 0.515 4.869 4.350 0.006 0.000 0.270 65 E C -1.376 175.349 176.600 0.209 0.000 0.879 65 E CA -0.612 55.889 56.400 0.168 0.000 0.756 65 E CB 3.038 32.865 29.700 0.212 0.000 1.208 65 E HN 0.748 nan 8.360 nan 0.000 0.428 66 L N 3.234 124.559 121.223 0.171 0.000 2.357 66 L HA 0.565 4.908 4.340 0.006 0.000 0.273 66 L C -0.136 176.949 176.870 0.357 0.000 1.080 66 L CA -0.662 54.298 54.840 0.200 0.000 0.803 66 L CB 0.387 42.495 42.059 0.082 0.000 1.174 66 L HN 0.528 nan 8.230 nan 0.000 0.443 67 F N 1.080 121.100 119.950 0.117 0.000 2.741 67 F HA 0.751 5.281 4.527 0.006 0.000 0.313 67 F C -1.076 174.794 175.800 0.116 0.000 1.153 67 F CA -1.240 56.825 58.000 0.109 0.000 0.931 67 F CB 1.833 40.883 39.000 0.082 0.000 1.335 67 F HN 0.316 nan 8.300 nan 0.000 0.460 68 R N 2.303 122.781 120.500 -0.036 0.000 2.549 68 R HA 0.552 4.895 4.340 0.006 0.000 0.291 68 R C -3.192 173.142 176.300 0.057 0.000 1.164 68 R CA -1.354 54.674 56.100 -0.120 0.000 0.973 68 R CB 2.032 32.317 30.300 -0.025 0.000 1.210 68 R HN 0.559 nan 8.270 nan 0.000 0.422 69 P HA 0.270 nan 4.420 nan 0.000 0.317 69 P C -0.935 176.396 177.300 0.052 0.000 1.307 69 P CA -0.670 62.494 63.100 0.107 0.000 0.749 69 P CB 0.540 32.328 31.700 0.147 0.000 1.377 70 K N -0.390 120.041 120.400 0.051 0.000 2.355 70 K HA 0.288 4.612 4.320 0.006 0.000 0.270 70 K C 1.156 177.770 176.600 0.023 0.000 1.003 70 K CA 0.694 57.002 56.287 0.034 0.000 0.957 70 K CB -0.811 31.709 32.500 0.032 0.000 0.939 70 K HN 0.885 nan 8.250 nan 0.000 0.482 71 G N 1.705 110.514 108.800 0.015 0.000 2.249 71 G HA2 -0.235 3.729 3.960 0.006 0.000 0.273 71 G HA3 -0.235 3.729 3.960 0.006 0.000 0.273 71 G C -0.273 174.628 174.900 0.000 0.000 1.036 71 G CA 0.176 45.281 45.100 0.008 0.000 0.824 71 G HN 0.482 nan 8.290 nan 0.000 0.504 72 E N -0.152 120.045 120.200 -0.004 0.000 2.176 72 E HA 0.462 4.816 4.350 0.006 0.000 0.267 72 E C 1.397 177.985 176.600 -0.020 0.000 0.893 72 E CA 0.151 56.540 56.400 -0.019 0.000 0.761 72 E CB 1.431 31.108 29.700 -0.039 0.000 1.133 72 E HN 0.292 nan 8.360 nan 0.000 0.409 73 S N 3.398 119.084 115.700 -0.023 0.000 2.355 73 S HA -0.102 4.371 4.470 0.006 0.000 0.222 73 S C 0.773 175.362 174.600 -0.020 0.000 1.031 73 S CA 0.878 59.065 58.200 -0.022 0.000 0.993 73 S CB -0.128 63.058 63.200 -0.024 0.000 0.859 73 S HN 0.505 nan 8.310 nan 0.000 0.453 74 K N 0.242 120.630 120.400 -0.020 0.000 2.509 74 K HA 0.506 4.830 4.320 0.006 0.000 0.266 74 K C -2.190 174.413 176.600 0.004 0.000 0.987 74 K CA -1.001 55.288 56.287 0.004 0.000 0.868 74 K CB 0.650 33.153 32.500 0.004 0.000 1.421 74 K HN -0.261 nan 8.250 nan 0.000 0.444 75 D N 1.829 122.271 120.400 0.070 0.000 2.472 75 D HA 0.089 4.733 4.640 0.006 0.000 0.248 75 D C 0.053 176.419 176.300 0.109 0.000 1.174 75 D CA 0.236 54.274 54.000 0.062 0.000 0.883 75 D CB 0.324 41.221 40.800 0.162 0.000 1.149 75 D HN 0.321 nan 8.370 nan 0.000 0.488 76 L N 2.065 123.184 121.223 -0.173 0.000 2.464 76 L HA 0.219 4.563 4.340 0.006 0.000 0.264 76 L C 0.204 177.110 176.870 0.059 0.000 1.199 76 L CA -0.681 54.096 54.840 -0.105 0.000 0.818 76 L CB 0.415 42.199 42.059 -0.459 0.000 1.102 76 L HN 0.237 nan 8.230 nan 0.000 0.473 77 L N 2.063 123.428 121.223 0.237 0.000 2.322 77 L HA 0.462 4.806 4.340 0.006 0.000 0.281 77 L C -0.882 176.181 176.870 0.322 0.000 1.014 77 L CA -0.051 54.867 54.840 0.130 0.000 0.815 77 L CB 1.391 43.252 42.059 -0.330 0.000 1.247 77 L HN 0.284 nan 8.230 nan 0.000 0.421 78 F N 6.350 126.441 119.950 0.234 0.000 2.420 78 F HA 0.697 5.228 4.527 0.006 0.000 0.342 78 F C -0.814 175.002 175.800 0.027 0.000 1.113 78 F CA -0.767 57.315 58.000 0.137 0.000 1.059 78 F CB 0.808 39.826 39.000 0.030 0.000 1.128 78 F HN 0.322 nan 8.300 nan 0.000 0.475 79 I N 7.736 127.694 120.570 -1.020 0.000 2.499 79 I HA 0.259 4.433 4.170 0.006 0.000 0.288 79 I C -1.602 173.884 176.117 -1.052 0.000 1.048 79 I CA -1.032 59.761 61.300 -0.845 0.000 1.062 79 I CB 1.946 39.702 38.000 -0.406 0.000 1.238 79 I HN 0.431 nan 8.210 nan 0.000 0.426 80 L N 6.265 127.030 121.223 -0.763 0.000 2.287 80 L HA 0.516 4.859 4.340 0.006 0.000 0.287 80 L C 0.187 176.908 176.870 -0.249 0.000 1.022 80 L CA 0.293 54.903 54.840 -0.384 0.000 0.814 80 L CB 1.627 43.605 42.059 -0.135 0.000 1.217 80 L HN 0.517 nan 8.230 nan 0.000 0.420 81 T N 3.251 117.687 114.554 -0.197 0.000 2.788 81 T HA 0.389 4.743 4.350 0.006 0.000 0.287 81 T C 1.289 175.864 174.700 -0.209 0.000 1.007 81 T CA 0.382 62.382 62.100 -0.167 0.000 1.005 81 T CB 1.375 70.178 68.868 -0.109 0.000 1.012 81 T HN 0.812 nan 8.240 nan 0.000 0.530 82 A N 1.526 124.238 122.820 -0.181 0.000 1.968 82 A HA 0.026 4.350 4.320 0.006 0.000 0.217 82 A C 1.847 179.213 177.584 -0.363 0.000 1.169 82 A CA 1.197 53.078 52.037 -0.260 0.000 0.638 82 A CB -0.265 18.695 19.000 -0.066 0.000 0.812 82 A HN 0.777 nan 8.150 nan 0.000 0.446 83 K N -1.735 118.599 120.400 -0.109 0.000 2.522 83 K HA 0.181 4.505 4.320 0.006 0.000 0.194 83 K C -0.851 175.919 176.600 0.284 0.000 1.026 83 K CA 0.022 56.346 56.287 0.063 0.000 1.119 83 K CB -0.197 32.344 32.500 0.068 0.000 0.856 83 K HN 0.540 nan 8.250 nan 0.000 0.513 84 Y N -2.288 118.062 120.300 0.083 0.000 4.912 84 Y HA -0.258 4.296 4.550 0.006 0.000 0.252 84 Y C -0.663 175.260 175.900 0.038 0.000 0.965 84 Y CA -0.209 57.924 58.100 0.055 0.000 1.978 84 Y CB -2.647 35.861 38.460 0.080 0.000 1.477 84 Y HN 0.193 nan 8.280 nan 0.000 0.606 85 N N 1.526 120.294 118.700 0.112 0.000 2.431 85 N HA 0.488 5.232 4.740 0.006 0.000 0.265 85 N C 0.075 175.575 175.510 -0.017 0.000 1.184 85 N CA 0.576 53.649 53.050 0.040 0.000 0.943 85 N CB 0.797 39.302 38.487 0.031 0.000 1.080 85 N HN 0.429 nan 8.380 nan 0.000 0.477 86 A N 1.591 124.421 122.820 0.016 0.000 2.312 86 A HA 0.779 5.103 4.320 0.006 0.000 0.328 86 A C 0.022 177.610 177.584 0.006 0.000 1.158 86 A CA -0.656 51.371 52.037 -0.018 0.000 0.821 86 A CB 0.384 19.494 19.000 0.184 0.000 1.170 86 A HN 0.893 nan 8.150 nan 0.000 0.490 87 C N 0.141 119.383 119.300 -0.096 0.000 3.311 87 C HA 0.817 5.281 4.460 0.006 0.000 0.325 87 C C -1.018 174.015 174.990 0.072 0.000 1.352 87 C CA -0.840 58.196 59.018 0.030 0.000 1.308 87 C CB 0.139 27.868 27.740 -0.018 0.000 1.619 87 C HN 0.763 nan 8.230 nan 0.000 0.469 88 I N 1.959 122.636 120.570 0.178 0.000 2.466 88 I HA 0.533 4.707 4.170 0.006 0.000 0.289 88 I C -0.705 175.525 176.117 0.188 0.000 1.026 88 I CA -0.481 60.979 61.300 0.268 0.000 1.078 88 I CB 1.674 39.885 38.000 0.351 0.000 1.249 88 I HN 0.581 nan 8.210 nan 0.000 0.429 89 L N 5.677 127.024 121.223 0.206 0.000 2.333 89 L HA 0.609 4.953 4.340 0.006 0.000 0.269 89 L C -0.389 176.686 176.870 0.341 0.000 1.010 89 L CA -0.606 54.362 54.840 0.213 0.000 0.818 89 L CB 2.281 44.446 42.059 0.178 0.000 1.306 89 L HN 0.567 nan 8.230 nan 0.000 0.430 90 E N 1.226 121.573 120.200 0.246 0.000 2.275 90 E HA 0.202 4.556 4.350 0.006 0.000 0.270 90 E C -1.931 174.594 176.600 -0.124 0.000 0.882 90 E CA -0.690 55.763 56.400 0.088 0.000 0.758 90 E CB 2.360 32.063 29.700 0.005 0.000 1.195 90 E HN 0.444 nan 8.360 nan 0.000 0.419 91 Y N 4.016 123.880 120.300 -0.727 0.000 2.393 91 Y HA 0.284 4.837 4.550 0.006 0.000 0.338 91 Y C -0.629 175.038 175.900 -0.388 0.000 1.029 91 Y CA 0.180 57.834 58.100 -0.743 0.000 1.239 91 Y CB 0.650 38.319 38.460 -1.319 0.000 1.170 91 Y HN 0.368 nan 8.280 nan 0.000 0.515 92 K N 5.362 125.292 120.400 -0.785 0.000 2.427 92 K HA 0.375 4.699 4.320 0.006 0.000 0.252 92 K C -1.654 174.579 176.600 -0.610 0.000 0.931 92 K CA -0.770 55.209 56.287 -0.515 0.000 0.793 92 K CB 1.437 33.761 32.500 -0.292 0.000 1.211 92 K HN 0.758 nan 8.250 nan 0.000 0.426 93 Q N 2.020 121.592 119.800 -0.380 0.000 2.337 93 Q HA 0.348 4.691 4.340 0.006 0.000 0.270 93 Q C -1.230 174.679 176.000 -0.152 0.000 1.043 93 Q CA -0.616 55.029 55.803 -0.264 0.000 0.794 93 Q CB 1.875 30.517 28.738 -0.160 0.000 1.281 93 Q HN 0.625 nan 8.270 nan 0.000 0.446 94 S N 3.106 118.730 115.700 -0.126 0.000 3.548 94 S HA 0.316 4.789 4.470 0.006 0.000 0.195 94 S C 0.840 175.401 174.600 -0.066 0.000 1.432 94 S CA 0.196 58.343 58.200 -0.088 0.000 1.087 94 S CB 0.197 63.347 63.200 -0.083 0.000 1.337 94 S HN 1.017 nan 8.310 nan 0.000 0.505 95 G N 3.296 112.062 108.800 -0.057 0.000 5.260 95 G HA2 -0.421 3.543 3.960 0.006 0.000 0.276 95 G HA3 -0.421 3.543 3.960 0.006 0.000 0.276 95 G C 1.066 175.946 174.900 -0.034 0.000 1.357 95 G CA 0.825 45.901 45.100 -0.040 0.000 1.008 95 G HN 0.629 nan 8.290 nan 0.000 0.777 96 E N 1.014 121.194 120.200 -0.035 0.000 2.431 96 E HA 0.347 4.700 4.350 0.006 0.000 0.200 96 E C 0.888 177.471 176.600 -0.028 0.000 0.995 96 E CA 1.022 57.407 56.400 -0.025 0.000 0.915 96 E CB 0.042 29.732 29.700 -0.018 0.000 0.930 96 E HN 0.411 nan 8.360 nan 0.000 0.496 97 S N 2.157 117.828 115.700 -0.049 0.000 2.462 97 S HA 0.505 4.979 4.470 0.006 0.000 0.294 97 S C 0.017 174.555 174.600 -0.103 0.000 1.144 97 S CA -0.831 57.332 58.200 -0.062 0.000 1.088 97 S CB 0.752 63.914 63.200 -0.064 0.000 1.009 97 S HN 0.310 nan 8.310 nan 0.000 0.484 98 I N 1.264 121.770 120.570 -0.106 0.000 2.354 98 I HA 0.682 4.856 4.170 0.006 0.000 0.292 98 I C -0.750 175.244 176.117 -0.205 0.000 0.989 98 I CA -1.066 60.118 61.300 -0.193 0.000 1.188 98 I CB 0.757 38.707 38.000 -0.083 0.000 1.342 98 I HN 0.371 nan 8.210 nan 0.000 0.457 99 D N 5.826 126.035 120.400 -0.317 0.000 2.964 99 D HA 0.571 5.215 4.640 0.006 0.000 0.234 99 D C -0.685 175.450 176.300 -0.276 0.000 1.223 99 D CA -0.212 53.649 54.000 -0.231 0.000 0.889 99 D CB 2.585 43.282 40.800 -0.172 0.000 1.609 99 D HN 0.491 nan 8.370 nan 0.000 0.523 100 I N 3.014 123.498 120.570 -0.144 0.000 2.342 100 I HA 0.359 4.532 4.170 0.006 0.000 0.291 100 I C -0.225 175.861 176.117 -0.053 0.000 1.010 100 I CA -0.402 60.864 61.300 -0.057 0.000 1.308 100 I CB 0.921 38.961 38.000 0.067 0.000 1.400 100 I HN 0.247 nan 8.210 nan 0.000 0.488 101 I N 4.993 125.538 120.570 -0.040 0.000 2.525 101 I HA 0.277 4.451 4.170 0.006 0.000 0.301 101 I C -0.164 175.949 176.117 -0.007 0.000 0.992 101 I CA -0.258 61.017 61.300 -0.043 0.000 1.162 101 I CB 1.897 39.860 38.000 -0.061 0.000 1.332 101 I HN 0.488 nan 8.210 nan 0.000 0.458 102 T N 6.066 120.601 114.554 -0.032 0.000 2.781 102 T HA 0.321 4.675 4.350 0.006 0.000 0.305 102 T C 1.043 175.753 174.700 0.017 0.000 1.001 102 T CA -0.659 61.428 62.100 -0.022 0.000 0.950 102 T CB 0.797 69.597 68.868 -0.114 0.000 0.955 102 T HN 0.446 nan 8.240 nan 0.000 0.471 103 R N 1.515 122.057 120.500 0.070 0.000 2.200 103 R HA 0.391 4.735 4.340 0.006 0.000 0.208 103 R C 0.764 177.143 176.300 0.131 0.000 1.033 103 R CA 0.216 56.370 56.100 0.090 0.000 1.000 103 R CB -0.044 30.318 30.300 0.104 0.000 0.906 103 R HN 0.729 nan 8.270 nan 0.000 0.462 104 A N 0.538 123.462 122.820 0.173 0.000 2.586 104 A HA 0.584 4.907 4.320 0.006 0.000 0.291 104 A C -1.376 176.401 177.584 0.322 0.000 1.062 104 A CA -0.808 51.373 52.037 0.240 0.000 0.666 104 A CB 1.315 20.423 19.000 0.182 0.000 1.281 104 A HN 0.429 nan 8.150 nan 0.000 0.421 105 H N -1.042 118.056 119.070 0.047 0.000 2.950 105 H HA 0.773 5.333 4.556 0.006 0.000 0.307 105 H C -0.569 174.769 175.328 0.017 0.000 1.403 105 H CA -0.643 55.421 56.048 0.027 0.000 1.145 105 H CB 0.877 30.639 29.762 -0.001 0.000 1.844 105 H HN 2.264 nan 8.280 nan 0.000 0.515 106 G N 0.591 109.336 108.800 -0.091 0.000 2.404 106 G HA2 0.165 4.129 3.960 0.006 0.000 0.298 106 G HA3 0.165 4.129 3.960 0.006 0.000 0.298 106 G C -1.902 172.969 174.900 -0.048 0.000 1.577 106 G CA -0.924 44.090 45.100 -0.144 0.000 0.847 106 G HN 0.708 nan 8.290 nan 0.000 0.598 107 N N 0.315 118.974 118.700 -0.069 0.000 2.426 107 N HA 0.323 5.067 4.740 0.006 0.000 0.275 107 N C 1.156 176.678 175.510 0.021 0.000 1.019 107 N CA 0.024 53.060 53.050 -0.023 0.000 0.941 107 N CB 1.921 40.354 38.487 -0.089 0.000 1.123 107 N HN 0.850 nan 8.380 nan 0.000 0.486 108 V N 0.987 120.955 119.914 0.090 0.000 3.542 108 V HA 0.147 4.270 4.120 0.006 0.000 0.296 108 V C 0.721 176.872 176.094 0.095 0.000 1.364 108 V CA -0.282 62.070 62.300 0.088 0.000 1.118 108 V CB -0.908 30.974 31.823 0.098 0.000 0.972 108 V HN 0.691 nan 8.190 nan 0.000 0.430 109 Q N 1.026 120.869 119.800 0.072 0.000 2.386 109 Q HA 0.262 4.606 4.340 0.006 0.000 0.282 109 Q C -1.006 174.952 176.000 -0.069 0.000 1.050 109 Q CA 0.415 56.135 55.803 -0.138 0.000 0.918 109 Q CB 0.220 28.812 28.738 -0.243 0.000 1.266 109 Q HN 0.476 nan 8.270 nan 0.000 0.423 110 D N 1.399 121.714 120.400 -0.142 0.000 2.256 110 D HA 0.159 4.803 4.640 0.006 0.000 0.246 110 D C 0.281 176.385 176.300 -0.327 0.000 1.042 110 D CA -0.735 53.117 54.000 -0.246 0.000 0.841 110 D CB 1.685 42.285 40.800 -0.333 0.000 1.223 110 D HN 0.622 nan 8.370 nan 0.000 0.470 111 R N 1.230 121.611 120.500 -0.199 0.000 2.127 111 R HA -0.048 4.296 4.340 0.006 0.000 0.238 111 R C 0.688 176.861 176.300 -0.211 0.000 1.134 111 R CA 0.919 56.926 56.100 -0.155 0.000 0.975 111 R CB -0.272 29.975 30.300 -0.089 0.000 0.865 111 R HN 0.386 nan 8.270 nan 0.000 0.447 112 I N -0.367 120.047 120.570 -0.261 0.000 3.138 112 I HA 0.313 4.487 4.170 0.006 0.000 0.288 112 I C 0.516 176.326 176.117 -0.512 0.000 1.148 112 I CA 0.744 61.876 61.300 -0.280 0.000 1.315 112 I CB 0.654 38.532 38.000 -0.202 0.000 1.426 112 I HN 0.514 nan 8.210 nan 0.000 0.615 113 G N 3.208 111.781 108.800 -0.378 0.000 3.039 113 G HA2 -0.145 3.818 3.960 0.006 0.000 0.686 113 G HA3 -0.145 3.818 3.960 0.006 0.000 0.686 113 G C -0.421 174.381 174.900 -0.164 0.000 1.066 113 G CA -0.789 44.059 45.100 -0.421 0.000 0.774 113 G HN 0.723 nan 8.290 nan 0.000 0.591 114 R N 3.620 124.177 120.500 0.095 0.000 2.368 114 R HA 0.611 4.955 4.340 0.006 0.000 0.302 114 R C -2.039 174.452 176.300 0.317 0.000 1.002 114 R CA -2.001 54.204 56.100 0.175 0.000 0.929 114 R CB 1.300 31.650 30.300 0.083 0.000 1.073 114 R HN 0.398 nan 8.270 nan 0.000 0.464 115 P HA 0.047 nan 4.420 nan 0.000 0.276 115 P C -0.684 176.648 177.300 0.054 0.000 1.243 115 P CA -0.233 62.949 63.100 0.136 0.000 0.768 115 P CB 1.327 33.114 31.700 0.145 0.000 0.856 116 S N 1.787 117.492 115.700 0.008 0.000 2.606 116 S HA 0.136 4.609 4.470 0.006 0.000 0.257 116 S C 0.301 174.864 174.600 -0.062 0.000 1.327 116 S CA -0.564 57.617 58.200 -0.032 0.000 0.984 116 S CB 0.120 63.299 63.200 -0.035 0.000 0.941 116 S HN 0.487 nan 8.310 nan 0.000 0.576 117 E N -0.346 119.769 120.200 -0.141 0.000 2.344 117 E HA 0.327 4.681 4.350 0.006 0.000 0.270 117 E C 0.108 176.675 176.600 -0.055 0.000 1.021 117 E CA 0.481 56.808 56.400 -0.122 0.000 0.887 117 E CB -0.104 29.456 29.700 -0.233 0.000 0.997 117 E HN 0.741 nan 8.360 nan 0.000 0.429 118 T N 2.351 116.902 114.554 -0.006 0.000 5.396 118 T HA -0.056 4.298 4.350 0.006 0.000 0.267 118 T C 0.485 175.194 174.700 0.016 0.000 2.216 118 T CA 0.794 62.908 62.100 0.024 0.000 3.793 118 T CB -1.886 67.014 68.868 0.053 0.000 0.379 118 T HN 1.543 nan 8.240 nan 0.000 1.014 119 G N 0.512 109.312 108.800 0.000 0.000 2.752 119 G HA2 -0.182 3.782 3.960 0.006 0.000 0.234 119 G HA3 -0.182 3.782 3.960 0.006 0.000 0.234 119 G C -0.207 174.683 174.900 -0.017 0.000 1.367 119 G CA -0.383 44.713 45.100 -0.006 0.000 0.879 119 G HN 0.860 nan 8.290 nan 0.000 0.563 120 I N 0.165 120.712 120.570 -0.037 0.000 2.754 120 I HA 0.399 4.572 4.170 0.006 0.000 0.285 120 I C 0.769 176.878 176.117 -0.014 0.000 1.166 120 I CA 0.591 61.861 61.300 -0.049 0.000 1.417 120 I CB 0.400 38.343 38.000 -0.094 0.000 1.382 120 I HN 0.436 nan 8.210 nan 0.000 0.588 121 I N 4.200 124.768 120.570 -0.002 0.000 2.627 121 I HA 0.405 4.579 4.170 0.006 0.000 0.288 121 I C -0.024 176.108 176.117 0.024 0.000 1.202 121 I CA -0.335 60.981 61.300 0.026 0.000 1.050 121 I CB 1.905 39.930 38.000 0.041 0.000 1.264 121 I HN 0.623 nan 8.210 nan 0.000 0.429 122 G N 6.361 115.192 108.800 0.052 0.000 2.454 122 G HA2 0.935 4.899 3.960 0.006 0.000 0.329 122 G HA3 0.935 4.899 3.960 0.006 0.000 0.329 122 G C -0.865 174.060 174.900 0.042 0.000 1.177 122 G CA -0.625 44.504 45.100 0.049 0.000 0.951 122 G HN 0.692 nan 8.290 nan 0.000 0.485 123 I N -2.373 118.197 120.570 -0.000 0.000 3.181 123 I HA 0.689 4.863 4.170 0.006 0.000 0.311 123 I C -1.435 174.760 176.117 0.131 0.000 1.287 123 I CA -1.464 59.875 61.300 0.065 0.000 0.958 123 I CB 2.558 40.581 38.000 0.038 0.000 1.294 123 I HN 0.318 nan 8.210 nan 0.000 0.467 124 I N 2.327 123.030 120.570 0.221 0.000 2.534 124 I HA 0.238 4.412 4.170 0.006 0.000 0.288 124 I C -0.932 175.220 176.117 0.059 0.000 1.077 124 I CA -0.518 60.832 61.300 0.083 0.000 1.051 124 I CB 1.943 39.864 38.000 -0.132 0.000 1.234 124 I HN 0.705 nan 8.210 nan 0.000 0.425 125 D N 8.522 128.689 120.400 -0.388 0.000 2.414 125 D HA 0.072 4.716 4.640 0.006 0.000 0.242 125 D C -1.770 174.373 176.300 -0.261 0.000 1.129 125 D CA -1.089 52.519 54.000 -0.653 0.000 0.885 125 D CB 1.899 42.039 40.800 -1.099 0.000 1.198 125 D HN 0.182 nan 8.370 nan 0.000 0.437 126 P HA -0.213 nan 4.420 nan 0.000 0.217 126 P C 0.732 178.029 177.300 -0.004 0.000 1.158 126 P CA 1.598 64.644 63.100 -0.089 0.000 0.887 126 P CB 0.101 31.731 31.700 -0.117 0.000 0.792 127 E N -2.363 117.809 120.200 -0.048 0.000 2.478 127 E HA -0.009 4.344 4.350 0.006 0.000 0.198 127 E C 0.363 176.963 176.600 -0.000 0.000 1.046 127 E CA 0.175 56.570 56.400 -0.008 0.000 0.870 127 E CB -0.529 29.157 29.700 -0.023 0.000 0.818 127 E HN 0.103 nan 8.360 nan 0.000 0.527 128 C N 0.945 120.225 119.300 -0.033 0.000 4.432 128 C HA -0.168 4.295 4.460 0.006 0.000 0.294 128 C C 1.704 176.675 174.990 -0.033 0.000 1.398 128 C CA 0.027 59.048 59.018 0.004 0.000 1.988 128 C CB -1.739 26.112 27.740 0.185 0.000 1.251 128 C HN 0.482 nan 8.230 nan 0.000 0.791 129 R N -0.363 120.076 120.500 -0.101 0.000 2.148 129 R HA 0.008 4.351 4.340 0.006 0.000 0.227 129 R C 0.802 177.044 176.300 -0.098 0.000 1.103 129 R CA 1.808 57.862 56.100 -0.078 0.000 0.983 129 R CB -0.047 30.201 30.300 -0.086 0.000 0.874 129 R HN 0.877 nan 8.270 nan 0.000 0.451 130 M N -2.534 116.956 119.600 -0.183 0.000 3.419 130 M HA 0.454 4.938 4.480 0.006 0.000 0.287 130 M C -1.483 174.661 176.300 -0.260 0.000 1.333 130 M CA -0.771 54.416 55.300 -0.188 0.000 0.843 130 M CB 1.860 34.392 32.600 -0.114 0.000 1.686 130 M HN -0.277 nan 8.290 nan 0.000 0.491 131 I N 0.894 121.320 120.570 -0.241 0.000 2.447 131 I HA 0.690 4.864 4.170 0.006 0.000 0.287 131 I C -0.278 175.752 176.117 -0.145 0.000 1.023 131 I CA -0.724 60.402 61.300 -0.290 0.000 1.083 131 I CB 2.167 39.784 38.000 -0.638 0.000 1.245 131 I HN 0.889 nan 8.210 nan 0.000 0.434 132 G N 6.448 115.286 108.800 0.063 0.000 2.379 132 G HA2 0.703 4.667 3.960 0.006 0.000 0.327 132 G HA3 0.703 4.667 3.960 0.006 0.000 0.327 132 G C -1.258 173.428 174.900 -0.357 0.000 1.145 132 G CA -0.269 44.745 45.100 -0.144 0.000 0.905 132 G HN 0.254 nan 8.290 nan 0.000 0.466 133 L N 1.370 122.152 121.223 -0.734 0.000 2.354 133 L HA 0.692 5.036 4.340 0.006 0.000 0.264 133 L C -0.200 176.396 176.870 -0.456 0.000 1.008 133 L CA -1.087 53.501 54.840 -0.419 0.000 0.819 133 L CB 2.280 44.167 42.059 -0.286 0.000 1.339 133 L HN 0.446 nan 8.230 nan 0.000 0.420 134 R N 3.275 123.696 120.500 -0.131 0.000 2.468 134 R HA 0.420 4.764 4.340 0.006 0.000 0.302 134 R C -0.941 175.313 176.300 -0.077 0.000 1.041 134 R CA -0.342 55.741 56.100 -0.028 0.000 0.899 134 R CB 0.952 31.314 30.300 0.103 0.000 1.167 134 R HN 0.582 nan 8.270 nan 0.000 0.483 135 L N 3.299 124.423 121.223 -0.165 0.000 2.547 135 L HA 0.331 4.675 4.340 0.006 0.000 0.218 135 L C -0.093 176.451 176.870 -0.544 0.000 1.048 135 L CA 0.621 55.228 54.840 -0.389 0.000 0.859 135 L CB -0.259 41.386 42.059 -0.690 0.000 1.128 135 L HN 0.445 nan 8.230 nan 0.000 0.483 136 Y N -0.203 120.118 120.300 0.035 0.000 2.499 136 Y HA 0.344 4.897 4.550 0.006 0.000 0.347 136 Y C 0.179 176.087 175.900 0.013 0.000 0.987 136 Y CA -1.371 56.737 58.100 0.013 0.000 1.044 136 Y CB 1.329 39.776 38.460 -0.021 0.000 1.245 136 Y HN -0.083 nan 8.280 nan 0.000 0.461 137 D N 1.064 121.562 120.400 0.164 0.000 2.455 137 D HA 0.227 4.870 4.640 0.006 0.000 0.241 137 D C 1.103 177.461 176.300 0.097 0.000 1.138 137 D CA 1.906 55.962 54.000 0.093 0.000 0.877 137 D CB 1.261 42.095 40.800 0.056 0.000 1.187 137 D HN 0.927 nan 8.370 nan 0.000 0.451 138 G N 1.775 110.621 108.800 0.076 0.000 2.304 138 G HA2 -0.268 3.695 3.960 0.006 0.000 0.252 138 G HA3 -0.268 3.695 3.960 0.006 0.000 0.252 138 G C 0.285 175.235 174.900 0.083 0.000 1.014 138 G CA 0.115 45.254 45.100 0.066 0.000 0.619 138 G HN 0.465 nan 8.290 nan 0.000 0.525 139 L N -0.201 121.091 121.223 0.115 0.000 2.334 139 L HA 0.812 5.155 4.340 0.006 0.000 0.276 139 L C -0.502 176.477 176.870 0.182 0.000 1.014 139 L CA -1.184 53.730 54.840 0.124 0.000 0.815 139 L CB 1.760 43.889 42.059 0.116 0.000 1.268 139 L HN 0.107 nan 8.230 nan 0.000 0.428 140 F N 2.817 122.760 119.950 -0.012 0.000 2.507 140 F HA 0.521 5.051 4.527 0.006 0.000 0.325 140 F C -0.286 175.449 175.800 -0.109 0.000 1.116 140 F CA -0.888 57.097 58.000 -0.026 0.000 0.930 140 F CB 1.635 40.694 39.000 0.099 0.000 1.146 140 F HN 0.281 nan 8.300 nan 0.000 0.447 141 K N 4.933 124.915 120.400 -0.697 0.000 2.235 141 K HA 0.711 5.035 4.320 0.006 0.000 0.266 141 K C -2.034 174.115 176.600 -0.752 0.000 0.980 141 K CA -0.444 55.513 56.287 -0.549 0.000 0.849 141 K CB 1.489 33.800 32.500 -0.315 0.000 1.098 141 K HN 0.489 nan 8.250 nan 0.000 0.445 142 V N 6.167 125.633 119.914 -0.748 0.000 2.555 142 V HA 0.515 4.639 4.120 0.006 0.000 0.302 142 V C -0.471 175.311 176.094 -0.520 0.000 1.038 142 V CA -0.760 61.132 62.300 -0.681 0.000 0.887 142 V CB 1.605 32.946 31.823 -0.803 0.000 0.991 142 V HN 0.737 nan 8.190 nan 0.000 0.434 143 I N 6.867 127.260 120.570 -0.296 0.000 2.466 143 I HA 0.341 4.514 4.170 0.006 0.000 0.279 143 I C -2.379 173.672 176.117 -0.110 0.000 1.033 143 I CA -1.863 59.333 61.300 -0.173 0.000 1.123 143 I CB 2.481 40.369 38.000 -0.188 0.000 1.237 143 I HN 0.431 nan 8.210 nan 0.000 0.460 144 P HA 0.099 nan 4.420 nan 0.000 0.269 144 P C -0.892 176.398 177.300 -0.016 0.000 1.209 144 P CA -0.014 63.092 63.100 0.011 0.000 0.776 144 P CB 1.042 32.786 31.700 0.074 0.000 0.876 145 L N 3.523 124.735 121.223 -0.019 0.000 2.280 145 L HA 0.454 4.797 4.340 0.006 0.000 0.287 145 L C 0.245 177.141 176.870 0.042 0.000 1.023 145 L CA -0.030 54.818 54.840 0.013 0.000 0.819 145 L CB 1.050 43.116 42.059 0.012 0.000 1.212 145 L HN 0.269 nan 8.230 nan 0.000 0.420 146 D N 2.313 122.745 120.400 0.053 0.000 2.753 146 D HA 0.238 4.882 4.640 0.006 0.000 0.224 146 D C 0.419 176.752 176.300 0.055 0.000 1.213 146 D CA -0.764 53.265 54.000 0.048 0.000 0.833 146 D CB 2.087 42.909 40.800 0.036 0.000 1.607 146 D HN 0.231 nan 8.370 nan 0.000 0.463 147 R N 0.917 121.446 120.500 0.048 0.000 2.159 147 R HA -0.151 4.193 4.340 0.006 0.000 0.252 147 R C 0.975 177.303 176.300 0.046 0.000 1.144 147 R CA 1.776 57.903 56.100 0.046 0.000 0.961 147 R CB -0.470 29.850 30.300 0.034 0.000 0.877 147 R HN 0.680 nan 8.270 nan 0.000 0.444 148 D N -0.246 120.177 120.400 0.038 0.000 1.794 148 D HA -0.169 4.475 4.640 0.006 0.000 0.292 148 D C 0.655 176.980 176.300 0.041 0.000 1.061 148 D CA -0.150 53.870 54.000 0.034 0.000 0.940 148 D CB -0.887 39.928 40.800 0.025 0.000 1.238 148 D HN -0.036 nan 8.370 nan 0.000 0.432 149 N N 0.054 118.773 118.700 0.033 0.000 2.685 149 N HA -0.211 4.533 4.740 0.006 0.000 0.251 149 N C 0.364 175.898 175.510 0.041 0.000 1.020 149 N CA 0.394 53.463 53.050 0.032 0.000 0.762 149 N CB -0.733 37.775 38.487 0.035 0.000 0.958 149 N HN 0.360 nan 8.380 nan 0.000 0.539 150 K N -0.124 120.301 120.400 0.041 0.000 2.442 150 K HA -0.057 4.267 4.320 0.006 0.000 0.198 150 K C 0.613 177.232 176.600 0.032 0.000 1.042 150 K CA 0.919 57.243 56.287 0.062 0.000 0.958 150 K CB 0.135 32.673 32.500 0.064 0.000 0.766 150 K HN 0.542 nan 8.250 nan 0.000 0.474 151 E N 0.330 120.519 120.200 -0.018 0.000 2.501 151 E HA 0.109 4.462 4.350 0.006 0.000 0.201 151 E C -0.109 176.454 176.600 -0.061 0.000 1.016 151 E CA -0.124 56.216 56.400 -0.101 0.000 0.920 151 E CB 0.237 29.879 29.700 -0.097 0.000 1.023 151 E HN 0.119 nan 8.360 nan 0.000 0.474 152 L N 1.647 122.869 121.223 -0.001 0.000 3.742 152 L HA -0.253 4.090 4.340 0.006 0.000 0.431 152 L C -0.083 176.786 176.870 -0.002 0.000 1.220 152 L CA 0.626 55.478 54.840 0.019 0.000 0.863 152 L CB -1.240 40.856 42.059 0.062 0.000 1.751 152 L HN 0.108 nan 8.230 nan 0.000 0.922 153 K N 0.991 121.389 120.400 -0.004 0.000 2.319 153 K HA 0.666 4.990 4.320 0.006 0.000 0.265 153 K C 0.401 177.008 176.600 0.012 0.000 1.000 153 K CA 0.631 56.917 56.287 -0.000 0.000 0.943 153 K CB 1.332 33.835 32.500 0.006 0.000 0.950 153 K HN 0.307 nan 8.250 nan 0.000 0.485 154 A N 2.757 125.583 122.820 0.010 0.000 2.459 154 A HA 0.538 4.862 4.320 0.006 0.000 0.296 154 A C -0.750 176.845 177.584 0.019 0.000 1.039 154 A CA -0.975 51.045 52.037 -0.027 0.000 0.698 154 A CB 0.530 19.459 19.000 -0.118 0.000 1.261 154 A HN 0.593 nan 8.150 nan 0.000 0.405 155 F N 1.551 121.461 119.950 -0.067 0.000 2.370 155 F HA 0.687 5.217 4.527 0.006 0.000 0.324 155 F C 0.144 175.891 175.800 -0.089 0.000 1.116 155 F CA -0.981 56.974 58.000 -0.074 0.000 1.123 155 F CB 0.705 39.659 39.000 -0.076 0.000 1.238 155 F HN 0.436 nan 8.300 nan 0.000 0.536 156 N N 1.571 120.259 118.700 -0.019 0.000 2.476 156 N HA 0.575 5.318 4.740 0.006 0.000 0.275 156 N C -0.849 174.656 175.510 -0.010 0.000 1.190 156 N CA -0.390 52.604 53.050 -0.093 0.000 0.977 156 N CB 1.904 40.370 38.487 -0.035 0.000 1.200 156 N HN 0.607 nan 8.380 nan 0.000 0.515 157 I N 0.153 120.664 120.570 -0.100 0.000 2.647 157 I HA 0.340 4.514 4.170 0.006 0.000 0.295 157 I C 0.481 176.525 176.117 -0.122 0.000 1.078 157 I CA -0.855 60.332 61.300 -0.188 0.000 1.048 157 I CB 2.504 40.146 38.000 -0.596 0.000 1.239 157 I HN 0.158 nan 8.210 nan 0.000 0.421 158 R N 4.368 124.807 120.500 -0.102 0.000 2.539 158 R HA 0.539 4.882 4.340 0.006 0.000 0.275 158 R C -1.291 175.041 176.300 0.054 0.000 1.077 158 R CA -0.323 55.768 56.100 -0.015 0.000 1.097 158 R CB 0.909 31.199 30.300 -0.015 0.000 1.018 158 R HN 0.575 nan 8.270 nan 0.000 0.483 159 L N 3.663 124.937 121.223 0.086 0.000 2.457 159 L HA 0.149 4.493 4.340 0.006 0.000 0.266 159 L C 1.116 178.014 176.870 0.048 0.000 0.979 159 L CA -0.316 54.586 54.840 0.103 0.000 0.857 159 L CB 1.556 43.664 42.059 0.081 0.000 1.213 159 L HN 0.750 nan 8.230 nan 0.000 0.418 160 E N 1.806 122.036 120.200 0.051 0.000 2.114 160 E HA -0.195 4.158 4.350 0.006 0.000 0.199 160 E C -0.077 176.511 176.600 -0.020 0.000 1.008 160 E CA 1.319 57.731 56.400 0.020 0.000 0.810 160 E CB 0.311 30.025 29.700 0.024 0.000 0.739 160 E HN 0.583 nan 8.360 nan 0.000 0.456 161 E N 1.069 121.228 120.200 -0.068 0.000 2.161 161 E HA -0.010 4.344 4.350 0.006 0.000 0.263 161 E C 0.876 177.490 176.600 0.024 0.000 1.185 161 E CA -0.003 56.327 56.400 -0.117 0.000 0.938 161 E CB 0.273 29.822 29.700 -0.251 0.000 1.023 161 E HN 0.143 nan 8.360 nan 0.000 0.433 162 L N 1.984 123.253 121.223 0.077 0.000 2.291 162 L HA -0.084 4.260 4.340 0.006 0.000 0.214 162 L C 0.742 177.708 176.870 0.160 0.000 1.120 162 L CA 1.060 55.962 54.840 0.105 0.000 0.799 162 L CB 0.034 42.157 42.059 0.106 0.000 0.925 162 L HN 0.639 nan 8.230 nan 0.000 0.446 163 H N 0.080 119.225 119.070 0.126 0.000 2.439 163 H HA 0.255 4.814 4.556 0.006 0.000 0.230 163 H C -0.788 174.663 175.328 0.206 0.000 1.420 163 H CA -0.452 55.685 56.048 0.148 0.000 1.305 163 H CB -0.038 29.812 29.762 0.146 0.000 1.667 163 H HN -0.245 nan 8.280 nan 0.000 0.515 164 V N 3.882 123.999 119.914 0.338 0.000 2.740 164 V HA -0.037 4.087 4.120 0.006 0.000 0.303 164 V C 1.525 177.796 176.094 0.294 0.000 1.054 164 V CA 0.010 62.519 62.300 0.347 0.000 1.106 164 V CB 0.914 32.835 31.823 0.164 0.000 0.957 164 V HN 0.486 nan 8.190 nan 0.000 0.486 165 I N 1.351 122.087 120.570 0.277 0.000 2.681 165 I HA 0.280 4.454 4.170 0.006 0.000 0.247 165 I C 0.597 176.798 176.117 0.140 0.000 1.091 165 I CA 1.025 62.441 61.300 0.193 0.000 1.442 165 I CB -0.361 37.727 38.000 0.146 0.000 1.219 165 I HN 0.726 nan 8.210 nan 0.000 0.451 166 D N -0.659 119.826 120.400 0.142 0.000 2.609 166 D HA 0.598 5.242 4.640 0.006 0.000 0.239 166 D C -1.338 175.033 176.300 0.119 0.000 1.229 166 D CA -0.215 53.852 54.000 0.111 0.000 0.808 166 D CB 2.665 43.522 40.800 0.094 0.000 1.448 166 D HN -0.169 nan 8.370 nan 0.000 0.433 167 V N 1.363 121.323 119.914 0.077 0.000 3.012 167 V HA 0.684 4.808 4.120 0.006 0.000 0.307 167 V C -0.738 175.352 176.094 -0.006 0.000 1.166 167 V CA -0.919 61.402 62.300 0.035 0.000 0.974 167 V CB 2.259 34.055 31.823 -0.044 0.000 1.040 167 V HN 0.485 nan 8.190 nan 0.000 0.428 168 K N 1.635 122.007 120.400 -0.046 0.000 2.532 168 K HA 0.558 4.882 4.320 0.006 0.000 0.265 168 K C -1.609 174.941 176.600 -0.083 0.000 0.948 168 K CA -0.471 55.803 56.287 -0.022 0.000 0.842 168 K CB 2.844 35.383 32.500 0.064 0.000 1.392 168 K HN 0.577 nan 8.250 nan 0.000 0.436 169 F N 2.183 122.132 119.950 -0.002 0.000 2.444 169 F HA 0.220 4.751 4.527 0.006 0.000 0.360 169 F C 1.040 176.784 175.800 -0.093 0.000 1.106 169 F CA -0.690 57.281 58.000 -0.049 0.000 1.170 169 F CB 0.473 39.428 39.000 -0.075 0.000 1.113 169 F HN 0.185 nan 8.300 nan 0.000 0.521 170 L N 4.556 125.884 121.223 0.174 0.000 2.514 170 L HA -0.039 4.304 4.340 0.006 0.000 0.280 170 L C -0.251 176.687 176.870 0.113 0.000 1.223 170 L CA 0.305 55.246 54.840 0.169 0.000 0.864 170 L CB 0.151 42.305 42.059 0.159 0.000 1.118 170 L HN 0.488 nan 8.230 nan 0.000 0.494 171 Y N 0.491 120.919 120.300 0.212 0.000 2.316 171 Y HA 0.364 4.918 4.550 0.006 0.000 0.324 171 Y C 1.130 177.136 175.900 0.176 0.000 1.267 171 Y CA 0.283 58.494 58.100 0.185 0.000 1.311 171 Y CB 1.310 39.889 38.460 0.198 0.000 1.267 171 Y HN 0.707 nan 8.280 nan 0.000 0.516 172 G N 1.052 110.050 108.800 0.331 0.000 2.367 172 G HA2 -0.241 3.722 3.960 0.006 0.000 0.295 172 G HA3 -0.241 3.722 3.960 0.006 0.000 0.295 172 G C -0.952 174.060 174.900 0.188 0.000 1.019 172 G CA -0.159 45.077 45.100 0.227 0.000 1.224 172 G HN 0.667 nan 8.290 nan 0.000 0.510 173 C N 1.929 121.313 119.300 0.140 0.000 2.381 173 C HA 0.411 4.875 4.460 0.006 0.000 0.328 173 C C 1.484 176.518 174.990 0.074 0.000 1.190 173 C CA -0.910 58.173 59.018 0.109 0.000 1.369 173 C CB 1.611 29.406 27.740 0.091 0.000 2.029 173 C HN 0.722 nan 8.230 nan 0.000 0.448 174 Q N 1.815 121.658 119.800 0.073 0.000 2.062 174 Q HA -0.134 4.210 4.340 0.006 0.000 0.209 174 Q C 1.131 177.157 176.000 0.043 0.000 0.996 174 Q CA 1.567 57.404 55.803 0.056 0.000 0.859 174 Q CB -0.368 28.404 28.738 0.056 0.000 0.920 174 Q HN 0.892 nan 8.270 nan 0.000 0.415 175 A N 1.894 124.741 122.820 0.046 0.000 2.309 175 A HA 0.412 4.736 4.320 0.006 0.000 0.298 175 A C -2.230 175.377 177.584 0.039 0.000 1.165 175 A CA -1.577 50.486 52.037 0.044 0.000 0.821 175 A CB 0.153 19.187 19.000 0.057 0.000 1.102 175 A HN -0.038 nan 8.150 nan 0.000 0.500 176 P HA -0.015 nan 4.420 nan 0.000 0.252 176 P C -0.379 177.006 177.300 0.142 0.000 1.147 176 P CA 1.267 64.366 63.100 -0.000 0.000 0.779 176 P CB 0.021 31.712 31.700 -0.016 0.000 0.733 177 T N 4.361 119.026 114.554 0.185 0.000 2.876 177 T HA 0.691 5.045 4.350 0.006 0.000 0.289 177 T C 0.284 175.134 174.700 0.250 0.000 1.014 177 T CA -0.487 61.711 62.100 0.164 0.000 0.986 177 T CB 0.853 69.716 68.868 -0.008 0.000 1.021 177 T HN 0.150 nan 8.240 nan 0.000 0.458 178 I N -0.645 119.948 120.570 0.039 0.000 2.797 178 I HA 0.884 5.058 4.170 0.006 0.000 0.307 178 I C -0.546 175.492 176.117 -0.131 0.000 1.033 178 I CA -0.955 60.266 61.300 -0.131 0.000 1.071 178 I CB 1.847 39.608 38.000 -0.399 0.000 1.255 178 I HN 0.656 nan 8.210 nan 0.000 0.445 179 C N 5.240 124.492 119.300 -0.080 0.000 2.535 179 C HA 0.875 5.338 4.460 0.006 0.000 0.319 179 C C -1.065 173.957 174.990 0.052 0.000 1.171 179 C CA -0.649 58.317 59.018 -0.086 0.000 1.394 179 C CB 0.620 28.334 27.740 -0.045 0.000 1.990 179 C HN 0.808 nan 8.230 nan 0.000 0.466 180 F N 3.835 123.687 119.950 -0.163 0.000 2.628 180 F HA 0.717 5.248 4.527 0.006 0.000 0.309 180 F C -1.370 174.419 175.800 -0.017 0.000 1.108 180 F CA -1.052 56.896 58.000 -0.087 0.000 0.971 180 F CB 0.840 39.781 39.000 -0.097 0.000 1.279 180 F HN 0.276 nan 8.300 nan 0.000 0.441 181 V N 4.458 124.423 119.914 0.085 0.000 2.385 181 V HA 0.286 4.409 4.120 0.006 0.000 0.269 181 V C -0.581 175.623 176.094 0.184 0.000 1.043 181 V CA -0.498 61.794 62.300 -0.014 0.000 0.906 181 V CB -0.034 31.773 31.823 -0.027 0.000 0.995 181 V HN 0.786 nan 8.190 nan 0.000 0.467 182 Y N 2.277 122.628 120.300 0.086 0.000 2.549 182 Y HA 0.745 5.299 4.550 0.006 0.000 0.339 182 Y C -0.238 175.735 175.900 0.120 0.000 1.053 182 Y CA -1.378 56.841 58.100 0.198 0.000 1.105 182 Y CB 1.469 40.120 38.460 0.318 0.000 1.258 182 Y HN 0.507 nan 8.280 nan 0.000 0.478 183 Q N 3.269 123.196 119.800 0.211 0.000 2.363 183 Q HA 0.287 4.630 4.340 0.006 0.000 0.265 183 Q C -1.752 174.284 176.000 0.060 0.000 1.032 183 Q CA -0.729 55.052 55.803 -0.037 0.000 0.746 183 Q CB 1.018 29.552 28.738 -0.339 0.000 1.237 183 Q HN 0.965 nan 8.270 nan 0.000 0.475 184 D N 3.055 123.571 120.400 0.193 0.000 2.569 184 D HA 0.542 5.186 4.640 0.006 0.000 0.266 184 D C -2.572 173.788 176.300 0.101 0.000 1.164 184 D CA -2.038 52.065 54.000 0.173 0.000 1.071 184 D CB 0.501 41.442 40.800 0.234 0.000 1.183 184 D HN 0.220 nan 8.370 nan 0.000 0.613 185 P HA 0.297 nan 4.420 nan 0.000 0.284 185 P C -0.756 176.590 177.300 0.076 0.000 1.343 185 P CA 0.079 63.214 63.100 0.059 0.000 0.826 185 P CB 1.142 32.871 31.700 0.047 0.000 0.956 186 Q N 1.328 121.176 119.800 0.080 0.000 7.586 186 Q HA 0.167 4.511 4.340 0.006 0.000 0.353 186 Q C 0.636 176.672 176.000 0.060 0.000 0.941 186 Q CA 0.465 56.329 55.803 0.101 0.000 0.545 186 Q CB -0.771 28.073 28.738 0.177 0.000 0.339 186 Q HN 0.653 nan 8.270 nan 0.000 0.862 187 G N 0.448 109.266 108.800 0.029 0.000 2.292 187 G HA2 0.152 4.115 3.960 0.006 0.000 0.194 187 G HA3 0.152 4.115 3.960 0.006 0.000 0.194 187 G C -1.700 172.992 174.900 -0.346 0.000 1.329 187 G CA -0.655 44.337 45.100 -0.180 0.000 1.100 187 G HN -0.028 nan 8.290 nan 0.000 0.470 188 R N -0.109 119.970 120.500 -0.701 0.000 2.686 188 R HA 0.697 5.040 4.340 0.006 0.000 0.286 188 R C -1.420 174.243 176.300 -1.061 0.000 0.969 188 R CA -0.723 54.977 56.100 -0.666 0.000 0.898 188 R CB 1.838 31.931 30.300 -0.345 0.000 1.183 188 R HN 0.721 nan 8.270 nan 0.000 0.456 189 H N -0.476 118.203 119.070 -0.652 0.000 2.894 189 H HA 0.297 4.857 4.556 0.006 0.000 0.367 189 H C -1.167 173.757 175.328 -0.673 0.000 1.144 189 H CA -0.715 54.909 56.048 -0.707 0.000 1.180 189 H CB 1.956 31.160 29.762 -0.930 0.000 1.758 189 H HN 0.220 nan 8.280 nan 0.000 0.541 190 V N 2.162 121.856 119.914 -0.367 0.000 2.567 190 V HA 0.557 4.681 4.120 0.006 0.000 0.289 190 V C -0.407 175.444 176.094 -0.405 0.000 1.049 190 V CA -0.010 62.055 62.300 -0.391 0.000 0.969 190 V CB 1.090 32.660 31.823 -0.421 0.000 0.995 190 V HN 0.850 nan 8.190 nan 0.000 0.471 191 K N 2.981 123.006 120.400 -0.625 0.000 2.555 191 K HA 0.743 5.067 4.320 0.006 0.000 0.279 191 K C -1.306 174.791 176.600 -0.838 0.000 0.986 191 K CA -0.416 55.434 56.287 -0.730 0.000 0.880 191 K CB 2.488 34.486 32.500 -0.836 0.000 1.474 191 K HN 0.829 nan 8.250 nan 0.000 0.433 192 T N -0.919 113.166 114.554 -0.781 0.000 2.896 192 T HA 0.594 4.948 4.350 0.006 0.000 0.297 192 T C -1.346 172.903 174.700 -0.752 0.000 1.108 192 T CA -0.775 60.918 62.100 -0.678 0.000 1.004 192 T CB 0.930 69.320 68.868 -0.797 0.000 1.159 192 T HN 0.456 nan 8.240 nan 0.000 0.499 193 Y N -0.657 119.472 120.300 -0.284 0.000 2.479 193 Y HA 0.454 5.007 4.550 0.006 0.000 0.338 193 Y C 0.178 175.997 175.900 -0.135 0.000 1.055 193 Y CA -1.204 56.751 58.100 -0.242 0.000 1.023 193 Y CB 1.981 40.159 38.460 -0.471 0.000 1.287 193 Y HN 0.672 nan 8.280 nan 0.000 0.447 194 E N 1.335 121.616 120.200 0.136 0.000 2.390 194 E HA 0.455 4.809 4.350 0.006 0.000 0.261 194 E C -1.227 175.519 176.600 0.243 0.000 1.076 194 E CA -0.367 56.115 56.400 0.136 0.000 0.905 194 E CB 1.279 31.039 29.700 0.101 0.000 0.984 194 E HN 0.265 nan 8.360 nan 0.000 0.427 195 V N 2.319 122.381 119.914 0.247 0.000 2.444 195 V HA 0.243 4.366 4.120 0.006 0.000 0.294 195 V C -0.492 175.729 176.094 0.212 0.000 1.022 195 V CA -0.485 62.007 62.300 0.321 0.000 0.850 195 V CB 1.765 33.846 31.823 0.430 0.000 0.992 195 V HN 0.554 nan 8.190 nan 0.000 0.426 196 S N 4.623 120.429 115.700 0.178 0.000 2.478 196 S HA 0.558 5.032 4.470 0.006 0.000 0.312 196 S C 0.808 175.485 174.600 0.128 0.000 1.094 196 S CA -0.802 57.469 58.200 0.118 0.000 1.081 196 S CB 1.217 64.459 63.200 0.069 0.000 1.007 196 S HN 0.625 nan 8.310 nan 0.000 0.475 197 L N 3.759 125.058 121.223 0.127 0.000 2.249 197 L HA 0.296 4.640 4.340 0.006 0.000 0.207 197 L C 2.438 179.263 176.870 -0.075 0.000 1.090 197 L CA 0.269 55.168 54.840 0.098 0.000 0.802 197 L CB -0.803 41.358 42.059 0.169 0.000 0.947 197 L HN 0.652 nan 8.230 nan 0.000 0.453 198 R N 1.947 122.429 120.500 -0.029 0.000 2.208 198 R HA -0.213 4.131 4.340 0.006 0.000 0.262 198 R C 1.087 177.331 176.300 -0.094 0.000 1.166 198 R CA 2.397 58.466 56.100 -0.051 0.000 0.987 198 R CB -0.006 30.284 30.300 -0.018 0.000 0.887 198 R HN 0.730 nan 8.270 nan 0.000 0.459 199 E N -1.201 118.937 120.200 -0.105 0.000 3.085 199 E HA 0.052 4.406 4.350 0.006 0.000 0.179 199 E C -0.745 175.753 176.600 -0.171 0.000 0.951 199 E CA -0.277 56.045 56.400 -0.130 0.000 1.326 199 E CB 0.293 29.948 29.700 -0.075 0.000 1.043 199 E HN 0.256 nan 8.360 nan 0.000 0.457 200 K N 1.237 121.484 120.400 -0.256 0.000 2.960 200 K HA -0.272 4.052 4.320 0.006 0.000 0.259 200 K C -0.026 176.518 176.600 -0.094 0.000 1.025 200 K CA 1.767 57.889 56.287 -0.274 0.000 0.756 200 K CB -1.427 30.740 32.500 -0.556 0.000 1.221 200 K HN 0.716 nan 8.250 nan 0.000 0.483 201 E N -0.955 119.187 120.200 -0.096 0.000 2.412 201 E HA 0.442 4.795 4.350 0.006 0.000 0.255 201 E C 0.355 176.867 176.600 -0.147 0.000 0.933 201 E CA -1.066 55.241 56.400 -0.154 0.000 0.823 201 E CB 0.330 29.984 29.700 -0.077 0.000 1.352 201 E HN -0.029 nan 8.360 nan 0.000 0.406 202 F N -0.002 119.886 119.950 -0.104 0.000 2.243 202 F HA 0.176 4.707 4.527 0.006 0.000 0.287 202 F C 0.404 176.190 175.800 -0.024 0.000 1.067 202 F CA 0.618 58.520 58.000 -0.164 0.000 1.304 202 F CB 0.215 38.840 39.000 -0.625 0.000 1.087 202 F HN 0.576 nan 8.300 nan 0.000 0.513 203 N N -0.517 118.306 118.700 0.204 0.000 6.961 203 N HA -0.213 4.531 4.740 0.006 0.000 0.424 203 N C -0.780 174.888 175.510 0.263 0.000 0.941 203 N CA 0.326 53.483 53.050 0.179 0.000 1.267 203 N CB -0.395 38.176 38.487 0.141 0.000 0.829 203 N HN -0.004 nan 8.380 nan 0.000 0.253 204 K N 0.150 120.653 120.400 0.172 0.000 2.156 204 K HA 0.608 4.932 4.320 0.006 0.000 0.250 204 K C 0.132 176.748 176.600 0.025 0.000 0.955 204 K CA -0.113 56.253 56.287 0.130 0.000 0.855 204 K CB 1.157 33.690 32.500 0.056 0.000 1.101 204 K HN 0.553 nan 8.250 nan 0.000 0.434 205 G N 1.807 110.535 108.800 -0.120 0.000 2.599 205 G HA2 0.166 4.130 3.960 0.006 0.000 0.264 205 G HA3 0.166 4.130 3.960 0.006 0.000 0.264 205 G C -1.913 172.841 174.900 -0.242 0.000 1.200 205 G CA -1.113 43.834 45.100 -0.256 0.000 0.896 205 G HN 0.416 nan 8.290 nan 0.000 0.536 206 P HA 0.056 nan 4.420 nan 0.000 0.231 206 P C -0.698 176.697 177.300 0.158 0.000 1.158 206 P CA 0.744 63.808 63.100 -0.060 0.000 0.763 206 P CB -0.010 31.718 31.700 0.047 0.000 0.805 207 W N -2.534 118.734 121.300 -0.053 0.000 3.129 207 W HA 0.577 5.241 4.660 0.006 0.000 0.333 207 W C -0.867 175.594 176.519 -0.097 0.000 1.141 207 W CA -1.761 55.546 57.345 -0.063 0.000 1.224 207 W CB 0.460 29.890 29.460 -0.050 0.000 1.393 207 W HN -0.494 nan 8.180 nan 0.000 0.499 208 K N 2.851 123.344 120.400 0.156 0.000 2.572 208 K HA -0.199 4.125 4.320 0.006 0.000 0.273 208 K C 0.640 177.256 176.600 0.027 0.000 0.990 208 K CA 0.639 56.959 56.287 0.056 0.000 1.097 208 K CB 0.435 32.969 32.500 0.058 0.000 0.819 208 K HN 0.577 nan 8.250 nan 0.000 0.482 209 Q N 3.377 123.143 119.800 -0.056 0.000 2.247 209 Q HA -0.135 4.209 4.340 0.006 0.000 0.288 209 Q C -0.260 175.717 176.000 -0.040 0.000 1.079 209 Q CA 0.717 56.470 55.803 -0.084 0.000 0.932 209 Q CB 0.502 29.195 28.738 -0.074 0.000 1.133 209 Q HN 0.438 nan 8.270 nan 0.000 0.377 210 E N 3.121 123.284 120.200 -0.063 0.000 3.362 210 E HA 0.389 4.743 4.350 0.006 0.000 0.253 210 E C -0.410 176.160 176.600 -0.050 0.000 0.962 210 E CA -0.718 55.657 56.400 -0.043 0.000 1.399 210 E CB 0.440 30.131 29.700 -0.017 0.000 1.668 210 E HN 0.571 nan 8.360 nan 0.000 0.563 211 N N -0.723 117.942 118.700 -0.057 0.000 2.469 211 N HA 0.575 5.318 4.740 0.006 0.000 0.286 211 N C -0.882 174.572 175.510 -0.093 0.000 1.275 211 N CA -0.506 52.472 53.050 -0.121 0.000 0.790 211 N CB 2.029 40.453 38.487 -0.106 0.000 1.446 211 N HN 0.279 nan 8.380 nan 0.000 0.501 212 V N -2.809 117.005 119.914 -0.166 0.000 3.258 212 V HA 0.594 4.718 4.120 0.006 0.000 0.299 212 V C -0.753 175.264 176.094 -0.129 0.000 1.376 212 V CA -1.164 61.089 62.300 -0.079 0.000 1.063 212 V CB 1.501 33.263 31.823 -0.103 0.000 1.103 212 V HN 0.754 nan 8.190 nan 0.000 0.451 213 E N 1.721 121.875 120.200 -0.075 0.000 2.366 213 E HA 0.654 5.008 4.350 0.006 0.000 0.266 213 E C 1.231 177.770 176.600 -0.101 0.000 1.051 213 E CA -0.024 56.326 56.400 -0.082 0.000 0.884 213 E CB 1.738 31.409 29.700 -0.048 0.000 1.006 213 E HN 1.383 nan 8.360 nan 0.000 0.417 214 A N 3.197 125.958 122.820 -0.098 0.000 2.001 214 A HA -0.283 4.041 4.320 0.006 0.000 0.224 214 A C 1.595 179.139 177.584 -0.068 0.000 1.203 214 A CA 1.986 53.970 52.037 -0.089 0.000 0.667 214 A CB -0.572 18.389 19.000 -0.065 0.000 0.823 214 A HN 0.730 nan 8.150 nan 0.000 0.473 215 E N -0.910 119.259 120.200 -0.052 0.000 2.548 215 E HA 0.392 4.746 4.350 0.006 0.000 0.206 215 E C 0.459 177.041 176.600 -0.031 0.000 1.005 215 E CA 0.433 56.813 56.400 -0.034 0.000 0.951 215 E CB 0.029 29.714 29.700 -0.024 0.000 1.035 215 E HN 0.588 nan 8.360 nan 0.000 0.470 216 A N 1.494 124.286 122.820 -0.047 0.000 2.561 216 A HA 0.166 4.490 4.320 0.006 0.000 0.234 216 A C 1.169 178.742 177.584 -0.019 0.000 1.055 216 A CA 1.067 53.079 52.037 -0.041 0.000 0.756 216 A CB 0.197 19.160 19.000 -0.063 0.000 0.986 216 A HN 0.220 nan 8.150 nan 0.000 0.505 217 S N 0.354 116.053 115.700 -0.003 0.000 2.423 217 S HA 0.209 4.682 4.470 0.006 0.000 0.243 217 S C -0.041 174.585 174.600 0.043 0.000 0.939 217 S CA -0.144 58.072 58.200 0.027 0.000 1.552 217 S CB -0.435 62.784 63.200 0.031 0.000 1.245 217 S HN 0.628 nan 8.310 nan 0.000 0.635 218 M N 2.339 121.954 119.600 0.024 0.000 2.395 218 M HA 0.615 5.099 4.480 0.006 0.000 0.307 218 M C -1.387 174.897 176.300 -0.027 0.000 1.091 218 M CA -0.646 54.674 55.300 0.033 0.000 0.919 218 M CB 2.332 34.968 32.600 0.060 0.000 1.662 218 M HN 0.014 nan 8.290 nan 0.000 0.440 219 V N 4.225 124.126 119.914 -0.021 0.000 2.547 219 V HA 0.609 4.732 4.120 0.006 0.000 0.299 219 V C -0.274 175.740 176.094 -0.134 0.000 1.040 219 V CA -0.594 61.678 62.300 -0.048 0.000 0.913 219 V CB 2.228 34.056 31.823 0.008 0.000 0.992 219 V HN 0.706 nan 8.190 nan 0.000 0.449 220 I N 3.072 123.540 120.570 -0.170 0.000 2.498 220 I HA 0.709 4.883 4.170 0.006 0.000 0.290 220 I C 0.001 176.115 176.117 -0.004 0.000 1.032 220 I CA -0.766 60.410 61.300 -0.206 0.000 1.073 220 I CB 2.027 39.745 38.000 -0.471 0.000 1.251 220 I HN 0.651 nan 8.210 nan 0.000 0.426 221 A N 6.268 129.180 122.820 0.154 0.000 2.276 221 A HA 0.706 5.029 4.320 0.006 0.000 0.316 221 A C -0.444 177.410 177.584 0.450 0.000 1.229 221 A CA -0.478 51.748 52.037 0.314 0.000 0.851 221 A CB 0.960 20.163 19.000 0.340 0.000 1.165 221 A HN 0.468 nan 8.150 nan 0.000 0.513 222 V N 5.386 125.527 119.914 0.379 0.000 2.439 222 V HA 0.327 4.451 4.120 0.006 0.000 0.282 222 V C -1.918 174.223 176.094 0.079 0.000 1.039 222 V CA -1.561 60.900 62.300 0.269 0.000 0.913 222 V CB 1.205 33.169 31.823 0.235 0.000 0.983 222 V HN 0.827 nan 8.190 nan 0.000 0.460 223 P HA 0.023 nan 4.420 nan 0.000 0.269 223 P C 1.018 178.191 177.300 -0.211 0.000 1.217 223 P CA 0.029 62.584 63.100 -0.909 0.000 0.783 223 P CB 0.741 32.128 31.700 -0.522 0.000 0.898 224 E N 1.430 121.531 120.200 -0.166 0.000 2.276 224 E HA -0.234 4.120 4.350 0.006 0.000 0.226 224 E C -0.659 175.958 176.600 0.027 0.000 1.090 224 E CA 2.543 58.973 56.400 0.049 0.000 0.930 224 E CB -2.012 27.727 29.700 0.065 0.000 0.791 224 E HN 0.525 nan 8.360 nan 0.000 0.467 225 P HA -0.101 nan 4.420 nan 0.000 0.222 225 P C 0.938 177.997 177.300 -0.401 0.000 1.147 225 P CA 1.236 64.189 63.100 -0.245 0.000 0.790 225 P CB -0.090 31.385 31.700 -0.375 0.000 0.780 226 F N -1.952 118.012 119.950 0.024 0.000 2.577 226 F HA 0.400 4.931 4.527 0.006 0.000 0.276 226 F C 1.650 177.540 175.800 0.150 0.000 1.032 226 F CA 0.744 58.780 58.000 0.059 0.000 1.297 226 F CB -0.648 38.370 39.000 0.030 0.000 1.061 226 F HN -0.088 nan 8.300 nan 0.000 0.680 227 G N 0.399 109.421 108.800 0.370 0.000 2.804 227 G HA2 0.303 4.267 3.960 0.006 0.000 0.230 227 G HA3 0.303 4.267 3.960 0.006 0.000 0.230 227 G C 0.334 175.464 174.900 0.383 0.000 1.386 227 G CA -0.293 45.020 45.100 0.355 0.000 0.875 227 G HN 1.387 nan 8.290 nan 0.000 0.557 228 G N -1.723 107.262 108.800 0.310 0.000 2.782 228 G HA2 0.477 4.441 3.960 0.006 0.000 0.228 228 G HA3 0.477 4.441 3.960 0.006 0.000 0.228 228 G C 0.171 175.157 174.900 0.143 0.000 1.372 228 G CA 0.902 46.060 45.100 0.098 0.000 0.862 228 G HN 2.822 nan 8.290 nan 0.000 0.547 229 A N -0.668 122.122 122.820 -0.051 0.000 2.343 229 A HA 0.794 5.117 4.320 0.006 0.000 0.316 229 A C -0.057 177.536 177.584 0.014 0.000 1.104 229 A CA -0.504 51.561 52.037 0.045 0.000 0.768 229 A CB 1.045 20.098 19.000 0.089 0.000 1.213 229 A HN 1.134 nan 8.150 nan 0.000 0.456 230 I N 2.453 123.036 120.570 0.021 0.000 2.353 230 I HA 0.311 4.485 4.170 0.006 0.000 0.293 230 I C -0.972 175.103 176.117 -0.070 0.000 0.992 230 I CA -0.368 60.914 61.300 -0.029 0.000 1.268 230 I CB 1.345 39.234 38.000 -0.184 0.000 1.387 230 I HN 0.440 nan 8.210 nan 0.000 0.478 231 I N 7.705 128.257 120.570 -0.030 0.000 2.436 231 I HA 0.387 4.560 4.170 0.006 0.000 0.289 231 I C -0.268 175.817 176.117 -0.053 0.000 1.010 231 I CA -0.167 61.118 61.300 -0.025 0.000 1.098 231 I CB 1.559 39.587 38.000 0.047 0.000 1.266 231 I HN 0.301 nan 8.210 nan 0.000 0.434 232 I N 5.647 126.180 120.570 -0.061 0.000 2.355 232 I HA 0.531 4.704 4.170 0.006 0.000 0.288 232 I C 0.792 176.883 176.117 -0.044 0.000 0.999 232 I CA -0.358 60.904 61.300 -0.063 0.000 1.163 232 I CB 1.341 39.303 38.000 -0.063 0.000 1.316 232 I HN 0.681 nan 8.210 nan 0.000 0.454 233 G N 4.805 113.574 108.800 -0.052 0.000 2.531 233 G HA2 0.291 4.255 3.960 0.006 0.000 0.281 233 G HA3 0.291 4.255 3.960 0.006 0.000 0.281 233 G C -0.408 174.463 174.900 -0.048 0.000 1.382 233 G CA -0.323 44.750 45.100 -0.045 0.000 1.045 233 G HN 0.443 nan 8.290 nan 0.000 0.533 234 Q N -0.109 119.665 119.800 -0.043 0.000 2.312 234 Q HA 0.182 4.525 4.340 0.006 0.000 0.236 234 Q C 0.736 176.702 176.000 -0.057 0.000 0.965 234 Q CA 0.279 56.054 55.803 -0.046 0.000 0.894 234 Q CB 1.115 29.833 28.738 -0.033 0.000 1.225 234 Q HN 0.806 nan 8.270 nan 0.000 0.478 235 E N -1.152 119.008 120.200 -0.066 0.000 2.879 235 E HA -0.277 4.077 4.350 0.006 0.000 0.264 235 E C -0.521 176.030 176.600 -0.081 0.000 1.161 235 E CA 1.392 57.749 56.400 -0.072 0.000 0.743 235 E CB -1.446 28.224 29.700 -0.050 0.000 1.359 235 E HN 0.386 nan 8.360 nan 0.000 0.446 236 S N -1.166 114.481 115.700 -0.089 0.000 2.578 236 S HA 0.748 5.222 4.470 0.006 0.000 0.272 236 S C -1.401 173.141 174.600 -0.097 0.000 1.145 236 S CA -0.639 57.509 58.200 -0.088 0.000 0.835 236 S CB 1.154 64.317 63.200 -0.060 0.000 1.104 236 S HN 0.432 nan 8.310 nan 0.000 0.458 237 I N 1.871 122.376 120.570 -0.109 0.000 2.775 237 I HA 0.591 4.764 4.170 0.006 0.000 0.295 237 I C -0.612 175.415 176.117 -0.149 0.000 1.287 237 I CA -0.451 60.776 61.300 -0.121 0.000 1.029 237 I CB 2.589 40.504 38.000 -0.141 0.000 1.282 237 I HN 0.992 nan 8.210 nan 0.000 0.426 238 T N 1.807 116.268 114.554 -0.155 0.000 2.816 238 T HA 0.631 4.985 4.350 0.006 0.000 0.299 238 T C -1.890 172.683 174.700 -0.212 0.000 1.230 238 T CA -0.622 61.312 62.100 -0.276 0.000 1.007 238 T CB 2.231 70.876 68.868 -0.372 0.000 1.289 238 T HN 0.493 nan 8.240 nan 0.000 0.508 239 Y N 0.696 120.662 120.300 -0.556 0.000 2.512 239 Y HA 0.703 5.256 4.550 0.006 0.000 0.348 239 Y C -1.044 174.497 175.900 -0.599 0.000 0.990 239 Y CA -0.821 57.034 58.100 -0.409 0.000 1.033 239 Y CB 1.886 40.158 38.460 -0.313 0.000 1.259 239 Y HN 0.886 nan 8.280 nan 0.000 0.461 240 H N 4.384 122.907 119.070 -0.912 0.000 2.856 240 H HA 0.372 4.932 4.556 0.006 0.000 0.355 240 H C -1.324 173.333 175.328 -1.119 0.000 1.079 240 H CA -0.829 54.791 56.048 -0.713 0.000 1.240 240 H CB 2.270 31.841 29.762 -0.318 0.000 1.701 240 H HN 0.660 nan 8.280 nan 0.000 0.527 241 N N -0.042 118.128 118.700 -0.884 0.000 2.825 241 N HA 0.162 4.906 4.740 0.006 0.000 0.253 241 N C 1.218 176.066 175.510 -1.103 0.000 1.426 241 N CA 0.368 52.745 53.050 -1.122 0.000 0.851 241 N CB 2.000 40.140 38.487 -0.578 0.000 1.470 241 N HN 0.762 nan 8.380 nan 0.000 0.517 242 G N 1.195 109.232 108.800 -1.272 0.000 3.645 242 G HA2 -0.373 3.590 3.960 0.006 0.000 0.296 242 G HA3 -0.373 3.590 3.960 0.006 0.000 0.296 242 G C 0.417 175.124 174.900 -0.322 0.000 1.048 242 G CA 2.042 46.814 45.100 -0.546 0.000 0.970 242 G HN 0.765 nan 8.290 nan 0.000 1.298 243 D N -0.036 120.247 120.400 -0.195 0.000 2.392 243 D HA 0.150 4.794 4.640 0.006 0.000 0.206 243 D C 1.104 177.357 176.300 -0.079 0.000 1.046 243 D CA 0.148 54.090 54.000 -0.096 0.000 0.865 243 D CB 0.274 41.048 40.800 -0.044 0.000 0.969 243 D HN 0.301 nan 8.370 nan 0.000 0.509 244 K N 0.606 120.935 120.400 -0.118 0.000 2.322 244 K HA 0.118 4.441 4.320 0.006 0.000 0.283 244 K C -1.278 175.302 176.600 -0.034 0.000 1.042 244 K CA -0.235 56.029 56.287 -0.038 0.000 0.958 244 K CB 0.295 32.810 32.500 0.026 0.000 0.984 244 K HN -0.114 nan 8.250 nan 0.000 0.473 245 Y N 5.075 125.303 120.300 -0.121 0.000 2.322 245 Y HA 0.398 4.952 4.550 0.006 0.000 0.324 245 Y C -1.841 173.987 175.900 -0.119 0.000 1.027 245 Y CA -0.805 57.172 58.100 -0.204 0.000 1.179 245 Y CB 0.803 39.153 38.460 -0.183 0.000 1.136 245 Y HN 0.483 nan 8.280 nan 0.000 0.449 246 L N 5.495 126.391 121.223 -0.545 0.000 2.342 246 L HA 1.002 5.346 4.340 0.006 0.000 0.271 246 L C -0.656 175.846 176.870 -0.613 0.000 1.008 246 L CA -0.976 53.620 54.840 -0.406 0.000 0.818 246 L CB 1.996 43.935 42.059 -0.199 0.000 1.296 246 L HN 0.777 nan 8.230 nan 0.000 0.427 247 A N 3.579 126.164 122.820 -0.391 0.000 2.587 247 A HA 0.945 5.268 4.320 0.006 0.000 0.293 247 A C -1.321 176.163 177.584 -0.167 0.000 1.087 247 A CA -0.475 51.369 52.037 -0.321 0.000 0.692 247 A CB 1.868 20.709 19.000 -0.265 0.000 1.291 247 A HN 0.632 nan 8.150 nan 0.000 0.407 248 I N -2.107 118.380 120.570 -0.139 0.000 2.722 248 I HA 0.706 4.879 4.170 0.006 0.000 0.292 248 I C -0.226 175.836 176.117 -0.093 0.000 1.267 248 I CA -0.811 60.426 61.300 -0.104 0.000 1.036 248 I CB 2.320 40.253 38.000 -0.112 0.000 1.281 248 I HN 0.782 nan 8.210 nan 0.000 0.423 249 A N 5.348 128.124 122.820 -0.073 0.000 3.165 249 A HA 0.634 4.957 4.320 0.006 0.000 0.331 249 A C -2.510 175.033 177.584 -0.068 0.000 1.034 249 A CA -1.267 50.729 52.037 -0.068 0.000 0.906 249 A CB -0.338 18.633 19.000 -0.048 0.000 1.054 249 A HN 0.547 nan 8.150 nan 0.000 0.484 250 P HA 0.210 nan 4.420 nan 0.000 0.271 250 P C -2.333 174.921 177.300 -0.077 0.000 1.226 250 P CA -0.961 62.091 63.100 -0.079 0.000 0.765 250 P CB 1.210 32.845 31.700 -0.108 0.000 0.835 251 P HA -0.074 nan 4.420 nan 0.000 0.221 251 P C 1.649 178.932 177.300 -0.028 0.000 1.145 251 P CA 0.727 63.807 63.100 -0.033 0.000 0.795 251 P CB -0.065 31.625 31.700 -0.015 0.000 0.775 252 I N 0.040 120.596 120.570 -0.025 0.000 2.423 252 I HA -0.193 3.980 4.170 0.006 0.000 0.254 252 I C 1.863 177.962 176.117 -0.030 0.000 1.151 252 I CA 1.321 62.634 61.300 0.021 0.000 1.421 252 I CB -0.097 37.949 38.000 0.078 0.000 1.079 252 I HN -0.098 nan 8.210 nan 0.000 0.431 253 I N -2.115 118.343 120.570 -0.187 0.000 3.030 253 I HA -0.126 4.048 4.170 0.006 0.000 0.270 253 I C 2.214 178.267 176.117 -0.107 0.000 1.211 253 I CA 0.667 61.810 61.300 -0.262 0.000 1.479 253 I CB -0.504 37.241 38.000 -0.425 0.000 1.105 253 I HN 0.064 nan 8.210 nan 0.000 0.447 254 K N 1.308 121.666 120.400 -0.071 0.000 2.127 254 K HA -0.260 4.064 4.320 0.006 0.000 0.208 254 K C 2.068 178.656 176.600 -0.021 0.000 1.047 254 K CA 2.353 58.615 56.287 -0.042 0.000 0.927 254 K CB -0.065 32.417 32.500 -0.030 0.000 0.716 254 K HN 0.456 nan 8.250 nan 0.000 0.450 255 Q N -0.657 119.143 119.800 0.001 0.000 2.369 255 Q HA 0.072 4.415 4.340 0.006 0.000 0.206 255 Q C 0.060 176.062 176.000 0.005 0.000 0.963 255 Q CA 0.426 56.234 55.803 0.009 0.000 0.894 255 Q CB 0.588 29.340 28.738 0.025 0.000 0.965 255 Q HN 0.002 nan 8.270 nan 0.000 0.475 256 S N -1.209 114.500 115.700 0.015 0.000 2.537 256 S HA 0.352 4.826 4.470 0.006 0.000 0.270 256 S C -1.083 173.523 174.600 0.010 0.000 1.142 256 S CA -0.846 57.360 58.200 0.010 0.000 0.870 256 S CB 1.560 64.776 63.200 0.027 0.000 1.112 256 S HN 0.035 nan 8.310 nan 0.000 0.466 257 T N 3.710 118.263 114.554 -0.002 0.000 2.870 257 T HA 0.346 4.699 4.350 0.006 0.000 0.300 257 T C 0.678 175.394 174.700 0.026 0.000 0.989 257 T CA -0.096 62.004 62.100 0.000 0.000 1.139 257 T CB -0.044 68.823 68.868 -0.001 0.000 0.920 257 T HN 0.455 nan 8.240 nan 0.000 0.537 258 I N 2.441 123.024 120.570 0.021 0.000 3.060 258 I HA 0.084 4.258 4.170 0.006 0.000 0.285 258 I C 1.077 177.232 176.117 0.064 0.000 1.190 258 I CA 0.197 61.532 61.300 0.058 0.000 1.363 258 I CB 0.827 38.844 38.000 0.029 0.000 1.396 258 I HN 0.419 nan 8.210 nan 0.000 0.607 259 V N 2.409 122.373 119.914 0.084 0.000 3.188 259 V HA 0.054 4.177 4.120 0.006 0.000 0.258 259 V C -0.738 175.392 176.094 0.059 0.000 1.702 259 V CA 0.186 62.524 62.300 0.064 0.000 1.020 259 V CB 0.891 32.741 31.823 0.044 0.000 0.884 259 V HN 0.977 nan 8.190 nan 0.000 0.399 260 C N 0.081 119.423 119.300 0.069 0.000 3.171 260 C HA 0.828 5.292 4.460 0.006 0.000 0.336 260 C C -0.581 174.449 174.990 0.065 0.000 1.198 260 C CA -0.820 58.196 59.018 -0.004 0.000 1.319 260 C CB 0.559 28.277 27.740 -0.036 0.000 1.682 260 C HN 0.701 nan 8.230 nan 0.000 0.497 261 H N 0.392 119.524 119.070 0.103 0.000 2.797 261 H HA 0.915 5.475 4.556 0.006 0.000 0.362 261 H C -0.754 174.681 175.328 0.179 0.000 1.183 261 H CA -0.562 55.570 56.048 0.140 0.000 1.197 261 H CB 1.269 31.100 29.762 0.114 0.000 1.835 261 H HN 0.956 nan 8.280 nan 0.000 0.567 262 N N -0.501 118.409 118.700 0.350 0.000 2.555 262 N HA 0.180 4.924 4.740 0.006 0.000 0.265 262 N C -1.759 173.912 175.510 0.268 0.000 1.135 262 N CA -0.902 52.314 53.050 0.277 0.000 0.925 262 N CB 1.938 40.518 38.487 0.155 0.000 1.662 262 N HN 0.822 nan 8.380 nan 0.000 0.489 263 R N 2.439 123.010 120.500 0.120 0.000 2.410 263 R HA 0.492 4.836 4.340 0.006 0.000 0.288 263 R C -0.320 175.842 176.300 -0.230 0.000 1.051 263 R CA -0.440 55.429 56.100 -0.384 0.000 1.021 263 R CB 0.942 31.002 30.300 -0.400 0.000 1.032 263 R HN 0.478 nan 8.270 nan 0.000 0.481 264 V N 1.821 121.504 119.914 -0.384 0.000 2.690 264 V HA 0.076 4.200 4.120 0.006 0.000 0.240 264 V C -0.040 175.835 176.094 -0.365 0.000 1.078 264 V CA 0.991 63.030 62.300 -0.434 0.000 1.102 264 V CB 0.105 31.559 31.823 -0.614 0.000 0.800 264 V HN 0.767 nan 8.190 nan 0.000 0.479 265 D N 0.109 120.305 120.400 -0.340 0.000 2.217 265 D HA 0.295 4.939 4.640 0.006 0.000 0.243 265 D C -1.907 174.296 176.300 -0.162 0.000 1.054 265 D CA -1.632 52.242 54.000 -0.210 0.000 0.838 265 D CB 1.902 42.588 40.800 -0.189 0.000 1.162 265 D HN -0.009 nan 8.370 nan 0.000 0.472 266 P HA -0.193 nan 4.420 nan 0.000 0.216 266 P C 1.184 178.466 177.300 -0.029 0.000 1.150 266 P CA 1.200 64.282 63.100 -0.029 0.000 0.843 266 P CB 0.245 31.957 31.700 0.020 0.000 0.787 267 N N -0.575 118.133 118.700 0.013 0.000 2.289 267 N HA -0.099 4.644 4.740 0.006 0.000 0.184 267 N C 1.402 176.984 175.510 0.119 0.000 1.016 267 N CA 1.782 54.919 53.050 0.146 0.000 0.872 267 N CB -1.440 37.187 38.487 0.232 0.000 0.973 267 N HN 0.240 nan 8.380 nan 0.000 0.433 268 G N -0.395 108.331 108.800 -0.124 0.000 2.132 268 G HA2 -0.330 3.634 3.960 0.006 0.000 0.234 268 G HA3 -0.330 3.634 3.960 0.006 0.000 0.234 268 G C 0.953 175.632 174.900 -0.368 0.000 0.989 268 G CA 1.121 46.038 45.100 -0.305 0.000 0.676 268 G HN 0.788 nan 8.290 nan 0.000 0.522 269 S N -0.735 114.804 115.700 -0.269 0.000 2.370 269 S HA 0.015 4.489 4.470 0.006 0.000 0.226 269 S C 1.223 175.707 174.600 -0.193 0.000 1.033 269 S CA 1.438 59.498 58.200 -0.233 0.000 1.011 269 S CB 0.104 63.266 63.200 -0.062 0.000 0.852 269 S HN 0.699 nan 8.310 nan 0.000 0.457 270 R N -0.443 119.921 120.500 -0.226 0.000 2.711 270 R HA 0.676 5.020 4.340 0.006 0.000 0.284 270 R C -1.816 174.294 176.300 -0.317 0.000 0.968 270 R CA -0.596 55.387 56.100 -0.195 0.000 0.924 270 R CB 1.449 31.623 30.300 -0.210 0.000 1.162 270 R HN 0.326 nan 8.270 nan 0.000 0.465 271 Y N 0.975 121.218 120.300 -0.094 0.000 2.534 271 Y HA 0.373 4.927 4.550 0.006 0.000 0.345 271 Y C -0.485 175.418 175.900 0.005 0.000 1.031 271 Y CA -0.783 57.299 58.100 -0.030 0.000 1.022 271 Y CB 1.919 40.370 38.460 -0.016 0.000 1.292 271 Y HN 0.244 nan 8.280 nan 0.000 0.459 272 L N 4.452 125.798 121.223 0.205 0.000 2.307 272 L HA 0.601 4.945 4.340 0.006 0.000 0.282 272 L C -0.991 176.012 176.870 0.222 0.000 1.051 272 L CA -0.625 54.319 54.840 0.173 0.000 0.804 272 L CB 1.044 43.185 42.059 0.136 0.000 1.197 272 L HN 0.423 nan 8.230 nan 0.000 0.431 273 L N 2.251 123.608 121.223 0.223 0.000 2.386 273 L HA 0.720 5.064 4.340 0.006 0.000 0.271 273 L C 0.221 177.237 176.870 0.242 0.000 0.993 273 L CA -0.542 54.444 54.840 0.243 0.000 0.819 273 L CB 1.943 44.148 42.059 0.244 0.000 1.294 273 L HN 0.627 nan 8.230 nan 0.000 0.414 274 G N 0.088 108.994 108.800 0.177 0.000 2.597 274 G HA2 0.590 4.553 3.960 0.006 0.000 0.317 274 G HA3 0.590 4.553 3.960 0.006 0.000 0.317 274 G C -1.863 173.126 174.900 0.150 0.000 1.230 274 G CA -0.095 45.082 45.100 0.128 0.000 0.996 274 G HN 0.496 nan 8.290 nan 0.000 0.490 275 D N -0.394 120.070 120.400 0.105 0.000 2.661 275 D HA 0.166 4.810 4.640 0.006 0.000 0.228 275 D C 1.223 177.543 176.300 0.034 0.000 1.183 275 D CA -0.769 53.298 54.000 0.113 0.000 0.844 275 D CB 2.128 43.028 40.800 0.167 0.000 1.555 275 D HN 0.217 nan 8.370 nan 0.000 0.453 276 M N 1.458 121.059 119.600 0.002 0.000 2.426 276 M HA -0.125 4.359 4.480 0.006 0.000 0.261 276 M C 0.316 176.553 176.300 -0.105 0.000 1.068 276 M CA 1.669 56.928 55.300 -0.070 0.000 1.066 276 M CB 0.073 32.599 32.600 -0.123 0.000 1.399 276 M HN 0.332 nan 8.290 nan 0.000 0.449 277 E N -0.678 119.492 120.200 -0.050 0.000 2.276 277 E HA 0.156 4.509 4.350 0.006 0.000 0.193 277 E C 1.581 178.160 176.600 -0.035 0.000 0.983 277 E CA 1.049 57.418 56.400 -0.052 0.000 0.861 277 E CB 0.171 29.861 29.700 -0.017 0.000 0.817 277 E HN 0.671 nan 8.360 nan 0.000 0.485 278 G N 1.592 110.375 108.800 -0.029 0.000 2.218 278 G HA2 -0.254 3.709 3.960 0.006 0.000 0.216 278 G HA3 -0.254 3.709 3.960 0.006 0.000 0.216 278 G C 0.351 175.199 174.900 -0.087 0.000 0.994 278 G CA -0.088 44.987 45.100 -0.041 0.000 0.637 278 G HN 0.154 nan 8.290 nan 0.000 0.505 279 R N -0.163 120.261 120.500 -0.128 0.000 2.623 279 R HA 0.458 4.802 4.340 0.006 0.000 0.271 279 R C -0.406 175.640 176.300 -0.424 0.000 1.043 279 R CA -0.073 55.835 56.100 -0.320 0.000 1.083 279 R CB 0.832 30.881 30.300 -0.418 0.000 0.974 279 R HN 0.251 nan 8.270 nan 0.000 0.436 280 L N 4.054 124.976 121.223 -0.502 0.000 2.325 280 L HA 0.440 4.783 4.340 0.006 0.000 0.281 280 L C -1.298 175.297 176.870 -0.458 0.000 1.004 280 L CA -0.140 54.512 54.840 -0.313 0.000 0.823 280 L CB 0.889 42.865 42.059 -0.138 0.000 1.236 280 L HN 0.407 nan 8.230 nan 0.000 0.415 281 F N 4.456 124.422 119.950 0.027 0.000 2.518 281 F HA 0.721 5.252 4.527 0.006 0.000 0.338 281 F C 0.096 175.907 175.800 0.018 0.000 1.065 281 F CA -0.737 57.275 58.000 0.019 0.000 1.012 281 F CB 1.681 40.689 39.000 0.013 0.000 1.297 281 F HN 0.411 nan 8.300 nan 0.000 0.489 282 M N 2.740 122.472 119.600 0.220 0.000 2.263 282 M HA 0.459 4.943 4.480 0.006 0.000 0.295 282 M C -2.280 174.075 176.300 0.091 0.000 1.028 282 M CA -0.425 54.936 55.300 0.102 0.000 0.921 282 M CB 1.751 34.360 32.600 0.016 0.000 1.601 282 M HN 0.513 nan 8.290 nan 0.000 0.440 283 L N 6.560 127.832 121.223 0.081 0.000 2.316 283 L HA 0.616 4.960 4.340 0.006 0.000 0.280 283 L C -2.052 174.829 176.870 0.018 0.000 1.006 283 L CA -0.711 54.153 54.840 0.039 0.000 0.836 283 L CB 0.927 43.011 42.059 0.041 0.000 1.221 283 L HN 0.805 nan 8.230 nan 0.000 0.418 284 L N 5.438 126.640 121.223 -0.036 0.000 2.317 284 L HA 0.455 4.799 4.340 0.006 0.000 0.281 284 L C -0.192 176.614 176.870 -0.108 0.000 1.024 284 L CA -0.308 54.493 54.840 -0.065 0.000 0.810 284 L CB 1.748 43.767 42.059 -0.068 0.000 1.240 284 L HN 0.484 nan 8.230 nan 0.000 0.427 285 L N 2.575 123.708 121.223 -0.149 0.000 2.352 285 L HA 0.277 4.621 4.340 0.006 0.000 0.272 285 L C 0.257 177.044 176.870 -0.139 0.000 1.109 285 L CA -0.633 54.075 54.840 -0.221 0.000 0.952 285 L CB 0.638 42.443 42.059 -0.423 0.000 1.314 285 L HN 0.638 nan 8.230 nan 0.000 0.427 286 E N 3.714 123.852 120.200 -0.104 0.000 2.765 286 E HA -0.091 4.263 4.350 0.006 0.000 0.256 286 E C -0.020 176.570 176.600 -0.016 0.000 0.935 286 E CA 0.658 57.023 56.400 -0.058 0.000 0.954 286 E CB 0.413 30.078 29.700 -0.059 0.000 0.908 286 E HN 0.295 nan 8.360 nan 0.000 0.500 287 K N 3.274 123.681 120.400 0.013 0.000 2.159 287 K HA 0.182 4.506 4.320 0.006 0.000 0.242 287 K C 0.129 176.747 176.600 0.030 0.000 1.043 287 K CA 0.342 56.662 56.287 0.055 0.000 0.856 287 K CB 0.293 32.816 32.500 0.038 0.000 1.072 287 K HN 0.692 nan 8.250 nan 0.000 0.514 288 E N -0.322 119.892 120.200 0.024 0.000 2.375 288 E HA 0.012 4.366 4.350 0.006 0.000 0.280 288 E C -1.883 174.706 176.600 -0.019 0.000 1.219 288 E CA -0.255 56.144 56.400 -0.001 0.000 0.973 288 E CB 0.946 30.645 29.700 -0.002 0.000 1.166 288 E HN 0.689 nan 8.360 nan 0.000 0.416 289 E N 0.599 120.785 120.200 -0.025 0.000 2.357 289 E HA 0.291 4.644 4.350 0.006 0.000 0.264 289 E C -2.000 174.584 176.600 -0.027 0.000 1.164 289 E CA -0.145 56.233 56.400 -0.036 0.000 0.893 289 E CB 1.358 31.031 29.700 -0.044 0.000 1.619 289 E HN 0.396 nan 8.360 nan 0.000 0.464 290 Q N 1.842 121.625 119.800 -0.029 0.000 3.990 290 Q HA 0.369 4.712 4.340 0.006 0.000 0.175 290 Q C -0.001 175.986 176.000 -0.021 0.000 0.875 290 Q CA -0.276 55.514 55.803 -0.022 0.000 0.761 290 Q CB 0.295 29.022 28.738 -0.018 0.000 1.491 290 Q HN 0.697 nan 8.270 nan 0.000 0.457 291 M N 0.563 120.151 119.600 -0.020 0.000 7.319 291 M HA -0.292 4.192 4.480 0.006 0.000 0.087 291 M C -0.433 175.855 176.300 -0.021 0.000 0.480 291 M CA 2.121 57.410 55.300 -0.018 0.000 1.311 291 M CB -0.620 31.971 32.600 -0.013 0.000 0.421 291 M HN 0.935 nan 8.290 nan 0.000 0.222 292 D N 2.177 122.568 120.400 -0.017 0.000 2.419 292 D HA 0.353 4.997 4.640 0.006 0.000 0.281 292 D C 0.181 176.470 176.300 -0.018 0.000 1.398 292 D CA 1.099 55.089 54.000 -0.016 0.000 1.047 292 D CB -0.628 40.166 40.800 -0.011 0.000 1.115 292 D HN 0.865 nan 8.370 nan 0.000 0.540 293 G N 1.657 110.442 108.800 -0.025 0.000 2.238 293 G HA2 0.168 4.132 3.960 0.006 0.000 0.276 293 G HA3 0.168 4.132 3.960 0.006 0.000 0.276 293 G C -0.296 174.577 174.900 -0.045 0.000 1.744 293 G CA -0.953 44.130 45.100 -0.028 0.000 0.912 293 G HN 0.332 nan 8.290 nan 0.000 0.744 294 T N 0.834 115.356 114.554 -0.054 0.000 2.855 294 T HA 0.366 4.719 4.350 0.006 0.000 0.322 294 T C 1.390 176.019 174.700 -0.119 0.000 1.088 294 T CA 0.293 62.338 62.100 -0.092 0.000 1.104 294 T CB 0.984 69.797 68.868 -0.090 0.000 0.996 294 T HN 1.666 nan 8.240 nan 0.000 0.549 295 V N 0.833 120.627 119.914 -0.200 0.000 2.599 295 V HA 0.307 4.431 4.120 0.006 0.000 0.300 295 V C 0.952 176.937 176.094 -0.183 0.000 1.034 295 V CA -0.587 61.579 62.300 -0.223 0.000 1.115 295 V CB -0.016 31.592 31.823 -0.359 0.000 0.934 295 V HN 1.041 nan 8.190 nan 0.000 0.485 296 T N 4.430 118.939 114.554 -0.076 0.000 2.900 296 T HA 0.624 4.978 4.350 0.006 0.000 0.326 296 T C -0.465 174.262 174.700 0.044 0.000 1.145 296 T CA -0.398 61.693 62.100 -0.015 0.000 0.963 296 T CB 0.612 69.473 68.868 -0.011 0.000 1.512 296 T HN 0.599 nan 8.240 nan 0.000 0.552 297 L N 1.805 123.037 121.223 0.014 0.000 2.518 297 L HA 0.474 4.818 4.340 0.006 0.000 0.262 297 L C 0.635 177.463 176.870 -0.070 0.000 0.982 297 L CA -0.562 54.257 54.840 -0.034 0.000 0.873 297 L CB 1.719 43.652 42.059 -0.210 0.000 1.198 297 L HN 0.618 nan 8.230 nan 0.000 0.427 298 K N 0.935 121.305 120.400 -0.049 0.000 2.103 298 K HA 0.089 4.412 4.320 0.006 0.000 0.204 298 K C 0.216 176.771 176.600 -0.075 0.000 1.052 298 K CA 1.488 57.745 56.287 -0.050 0.000 0.945 298 K CB 0.217 32.696 32.500 -0.034 0.000 0.722 298 K HN 0.627 nan 8.250 nan 0.000 0.443 299 D N -1.875 118.465 120.400 -0.100 0.000 2.713 299 D HA 0.383 5.027 4.640 0.006 0.000 0.306 299 D C -1.772 174.441 176.300 -0.145 0.000 1.299 299 D CA -0.348 53.585 54.000 -0.112 0.000 0.823 299 D CB 0.925 41.678 40.800 -0.079 0.000 1.353 299 D HN 0.024 nan 8.370 nan 0.000 0.447 300 L N -1.101 120.040 121.223 -0.138 0.000 2.545 300 L HA 0.817 5.161 4.340 0.006 0.000 0.258 300 L C -1.321 175.484 176.870 -0.109 0.000 0.942 300 L CA -0.958 53.799 54.840 -0.139 0.000 0.855 300 L CB 2.263 44.214 42.059 -0.181 0.000 1.374 300 L HN 0.548 nan 8.230 nan 0.000 0.411 301 R N 1.600 122.046 120.500 -0.089 0.000 2.799 301 R HA 0.797 5.141 4.340 0.006 0.000 0.270 301 R C -1.959 174.309 176.300 -0.053 0.000 1.010 301 R CA -0.812 55.245 56.100 -0.071 0.000 0.916 301 R CB 2.210 32.477 30.300 -0.054 0.000 1.228 301 R HN 0.476 nan 8.270 nan 0.000 0.469 302 V N 1.454 121.341 119.914 -0.046 0.000 2.407 302 V HA 0.275 4.399 4.120 0.006 0.000 0.278 302 V C -0.166 175.964 176.094 0.060 0.000 1.037 302 V CA -0.293 62.004 62.300 -0.006 0.000 0.900 302 V CB 1.316 33.084 31.823 -0.090 0.000 0.983 302 V HN 0.713 nan 8.190 nan 0.000 0.459 303 E N 3.926 124.191 120.200 0.107 0.000 2.149 303 E HA 0.274 4.628 4.350 0.006 0.000 0.255 303 E C -0.799 175.919 176.600 0.197 0.000 0.888 303 E CA -0.962 55.504 56.400 0.110 0.000 0.742 303 E CB 1.712 31.413 29.700 0.001 0.000 1.164 303 E HN 0.538 nan 8.360 nan 0.000 0.422 304 L N 4.862 126.251 121.223 0.276 0.000 2.700 304 L HA -0.113 4.230 4.340 0.006 0.000 0.276 304 L C 0.081 176.972 176.870 0.034 0.000 1.200 304 L CA 1.054 55.948 54.840 0.091 0.000 0.951 304 L CB 0.062 42.179 42.059 0.097 0.000 1.226 304 L HN 0.767 nan 8.230 nan 0.000 0.489 305 L N 4.868 126.060 121.223 -0.051 0.000 2.354 305 L HA 0.386 4.730 4.340 0.006 0.000 0.212 305 L C 1.281 178.184 176.870 0.055 0.000 1.091 305 L CA 0.559 55.432 54.840 0.055 0.000 0.828 305 L CB -0.314 41.750 42.059 0.008 0.000 0.973 305 L HN 0.966 nan 8.230 nan 0.000 0.461 306 G N 0.363 109.114 108.800 -0.083 0.000 2.366 306 G HA2 -0.011 3.953 3.960 0.006 0.000 0.190 306 G HA3 -0.011 3.953 3.960 0.006 0.000 0.190 306 G C -1.561 173.256 174.900 -0.138 0.000 1.299 306 G CA -0.279 44.774 45.100 -0.078 0.000 1.056 306 G HN 0.123 nan 8.290 nan 0.000 0.468 307 E N -0.672 119.474 120.200 -0.090 0.000 2.340 307 E HA 0.736 5.089 4.350 0.006 0.000 0.273 307 E C -0.156 176.407 176.600 -0.062 0.000 0.891 307 E CA -0.028 56.319 56.400 -0.089 0.000 0.757 307 E CB 2.304 31.964 29.700 -0.067 0.000 1.231 307 E HN 0.979 nan 8.360 nan 0.000 0.439 308 T N -0.060 114.457 114.554 -0.062 0.000 2.693 308 T HA 0.527 4.881 4.350 0.006 0.000 0.278 308 T C -0.022 174.652 174.700 -0.043 0.000 0.994 308 T CA -0.872 61.196 62.100 -0.053 0.000 1.033 308 T CB 0.960 69.791 68.868 -0.062 0.000 1.342 308 T HN 0.356 nan 8.240 nan 0.000 0.538 309 S N 0.728 116.399 115.700 -0.049 0.000 2.584 309 S HA 0.342 4.815 4.470 0.006 0.000 0.270 309 S C 0.749 175.329 174.600 -0.032 0.000 1.346 309 S CA -0.819 57.359 58.200 -0.037 0.000 1.018 309 S CB -0.194 62.976 63.200 -0.049 0.000 0.899 309 S HN 0.571 nan 8.310 nan 0.000 0.542 310 I N 1.548 122.114 120.570 -0.007 0.000 2.752 310 I HA 0.067 4.241 4.170 0.006 0.000 0.289 310 I C 0.615 176.725 176.117 -0.012 0.000 1.197 310 I CA 0.075 61.377 61.300 0.004 0.000 1.432 310 I CB -0.859 37.169 38.000 0.047 0.000 1.359 310 I HN 0.584 nan 8.210 nan 0.000 0.571 311 A N 6.606 129.418 122.820 -0.013 0.000 2.271 311 A HA 0.341 4.664 4.320 0.006 0.000 0.317 311 A C 0.908 178.488 177.584 -0.006 0.000 1.245 311 A CA -0.608 51.413 52.037 -0.025 0.000 0.857 311 A CB 1.019 20.004 19.000 -0.025 0.000 1.175 311 A HN 0.818 nan 8.150 nan 0.000 0.512 312 E N 0.994 121.190 120.200 -0.008 0.000 2.030 312 E HA -0.051 4.302 4.350 0.006 0.000 0.189 312 E C 0.256 176.856 176.600 0.000 0.000 0.974 312 E CA 0.969 57.370 56.400 0.003 0.000 0.807 312 E CB 0.173 29.877 29.700 0.007 0.000 0.771 312 E HN 0.674 nan 8.360 nan 0.000 0.451 313 c N 1.408 120.013 118.600 0.009 0.000 2.358 313 c HA 0.575 5.148 4.570 0.006 0.000 0.342 313 c C -0.869 173.239 174.090 0.031 0.000 1.234 313 c CA -0.688 55.663 56.329 0.036 0.000 1.969 313 c CB -0.016 42.557 42.510 0.106 0.000 2.346 313 c HN 0.184 nan 8.230 nan 0.000 0.525 314 L N 4.127 125.379 121.223 0.049 0.000 2.431 314 L HA 0.676 5.020 4.340 0.006 0.000 0.266 314 L C -0.206 176.737 176.870 0.121 0.000 0.978 314 L CA 0.226 55.109 54.840 0.071 0.000 0.822 314 L CB 2.243 44.334 42.059 0.054 0.000 1.310 314 L HN 0.787 nan 8.230 nan 0.000 0.409 315 T N 2.825 117.479 114.554 0.166 0.000 3.355 315 T HA 0.200 4.553 4.350 0.006 0.000 0.324 315 T C -1.008 173.795 174.700 0.171 0.000 0.932 315 T CA -0.429 61.771 62.100 0.167 0.000 1.032 315 T CB 0.339 69.295 68.868 0.146 0.000 1.027 315 T HN 0.284 nan 8.240 nan 0.000 0.456 316 Y N 4.669 125.003 120.300 0.057 0.000 2.610 316 Y HA 0.339 4.892 4.550 0.006 0.000 0.332 316 Y C -0.005 175.915 175.900 0.034 0.000 1.201 316 Y CA 0.158 58.282 58.100 0.040 0.000 1.465 316 Y CB 0.285 38.753 38.460 0.013 0.000 1.283 316 Y HN 0.600 nan 8.280 nan 0.000 0.563 317 L N 2.602 123.443 121.223 -0.638 0.000 2.695 317 L HA 0.259 4.603 4.340 0.006 0.000 0.211 317 L C 0.723 177.213 176.870 -0.633 0.000 1.839 317 L CA -0.900 53.680 54.840 -0.433 0.000 2.948 317 L CB -0.275 41.633 42.059 -0.252 0.000 2.799 317 L HN 0.490 nan 8.230 nan 0.000 0.731 318 D N 0.406 120.570 120.400 -0.393 0.000 2.025 318 D HA 0.013 4.656 4.640 0.006 0.000 0.270 318 D C -0.169 175.905 176.300 -0.378 0.000 1.135 318 D CA 0.205 54.038 54.000 -0.278 0.000 0.978 318 D CB 0.013 40.744 40.800 -0.115 0.000 1.178 318 D HN 0.253 nan 8.370 nan 0.000 0.487 319 N N 0.217 118.853 118.700 -0.106 0.000 2.415 319 N HA 0.267 5.010 4.740 0.006 0.000 0.250 319 N C 0.912 176.458 175.510 0.059 0.000 1.127 319 N CA 0.480 53.558 53.050 0.047 0.000 0.945 319 N CB 0.885 39.408 38.487 0.060 0.000 1.196 319 N HN 0.576 nan 8.380 nan 0.000 0.499 320 G N 0.709 109.640 108.800 0.218 0.000 2.184 320 G HA2 -0.296 3.668 3.960 0.006 0.000 0.264 320 G HA3 -0.296 3.668 3.960 0.006 0.000 0.264 320 G C 0.100 175.077 174.900 0.128 0.000 0.975 320 G CA 0.357 45.606 45.100 0.248 0.000 0.642 320 G HN 0.451 nan 8.290 nan 0.000 0.536 321 V N 0.436 120.321 119.914 -0.048 0.000 2.509 321 V HA 0.691 4.815 4.120 0.006 0.000 0.284 321 V C 0.481 176.510 176.094 -0.107 0.000 1.047 321 V CA -0.660 61.602 62.300 -0.065 0.000 0.952 321 V CB 1.820 33.593 31.823 -0.083 0.000 0.988 321 V HN 0.319 nan 8.190 nan 0.000 0.469 322 V N 4.451 124.378 119.914 0.022 0.000 2.686 322 V HA 0.420 4.544 4.120 0.006 0.000 0.306 322 V C -0.822 175.339 176.094 0.112 0.000 1.065 322 V CA -0.590 61.755 62.300 0.075 0.000 0.894 322 V CB 1.955 33.854 31.823 0.126 0.000 1.004 322 V HN 0.729 nan 8.190 nan 0.000 0.424 323 F N 5.125 125.068 119.950 -0.013 0.000 2.404 323 F HA 0.689 5.220 4.527 0.006 0.000 0.345 323 F C -0.242 175.563 175.800 0.009 0.000 1.110 323 F CA -0.355 57.640 58.000 -0.008 0.000 1.130 323 F CB 1.413 40.370 39.000 -0.071 0.000 1.129 323 F HN 0.246 nan 8.300 nan 0.000 0.500 324 V N 6.273 125.700 119.914 -0.813 0.000 2.328 324 V HA 0.416 4.540 4.120 0.006 0.000 0.278 324 V C 0.454 175.995 176.094 -0.922 0.000 1.021 324 V CA -0.594 61.359 62.300 -0.578 0.000 0.838 324 V CB 0.964 32.610 31.823 -0.295 0.000 0.999 324 V HN 0.989 nan 8.190 nan 0.000 0.447 325 G N 3.276 111.771 108.800 -0.509 0.000 2.365 325 G HA2 0.415 4.379 3.960 0.006 0.000 0.293 325 G HA3 0.415 4.379 3.960 0.006 0.000 0.293 325 G C -0.079 174.750 174.900 -0.118 0.000 1.128 325 G CA -0.021 44.955 45.100 -0.206 0.000 0.971 325 G HN 0.634 nan 8.290 nan 0.000 0.422 326 S N 1.413 117.050 115.700 -0.105 0.000 2.503 326 S HA 0.530 5.004 4.470 0.006 0.000 0.301 326 S C 0.998 175.589 174.600 -0.015 0.000 1.087 326 S CA -0.872 57.296 58.200 -0.052 0.000 1.042 326 S CB 1.823 64.986 63.200 -0.062 0.000 1.043 326 S HN 0.727 nan 8.310 nan 0.000 0.489 327 R N 3.293 123.789 120.500 -0.007 0.000 2.276 327 R HA 0.367 4.710 4.340 0.006 0.000 0.195 327 R C 1.116 177.410 176.300 -0.011 0.000 0.908 327 R CA 0.192 56.288 56.100 -0.006 0.000 1.083 327 R CB -0.242 30.056 30.300 -0.002 0.000 1.182 327 R HN 0.687 nan 8.270 nan 0.000 0.608 328 L N 0.651 121.877 121.223 0.004 0.000 2.395 328 L HA 0.236 4.579 4.340 0.006 0.000 0.218 328 L C 1.004 177.861 176.870 -0.021 0.000 1.130 328 L CA 0.775 55.617 54.840 0.003 0.000 0.826 328 L CB 0.194 42.301 42.059 0.079 0.000 0.941 328 L HN 0.327 nan 8.230 nan 0.000 0.451 329 G N -1.804 106.985 108.800 -0.020 0.000 2.721 329 G HA2 0.239 4.203 3.960 0.006 0.000 0.296 329 G HA3 0.239 4.203 3.960 0.006 0.000 0.296 329 G C -1.614 173.266 174.900 -0.032 0.000 1.383 329 G CA -0.636 44.441 45.100 -0.037 0.000 0.788 329 G HN -0.200 nan 8.290 nan 0.000 0.500 330 D N 0.728 121.105 120.400 -0.038 0.000 2.583 330 D HA 0.304 4.948 4.640 0.006 0.000 0.232 330 D C 0.810 177.107 176.300 -0.004 0.000 1.128 330 D CA 0.756 54.746 54.000 -0.015 0.000 0.859 330 D CB 0.956 41.734 40.800 -0.036 0.000 1.169 330 D HN 0.182 nan 8.370 nan 0.000 0.481 331 S N 1.247 116.979 115.700 0.052 0.000 2.614 331 S HA 0.388 4.862 4.470 0.006 0.000 0.265 331 S C 0.139 174.833 174.600 0.156 0.000 1.303 331 S CA -0.709 57.499 58.200 0.014 0.000 1.000 331 S CB 0.988 64.194 63.200 0.009 0.000 0.935 331 S HN 0.507 nan 8.310 nan 0.000 0.551 332 Q N 0.500 120.306 119.800 0.010 0.000 2.522 332 Q HA 0.553 4.897 4.340 0.006 0.000 0.285 332 Q C -2.096 173.987 176.000 0.138 0.000 0.982 332 Q CA -0.982 54.879 55.803 0.096 0.000 0.805 332 Q CB 0.767 29.465 28.738 -0.066 0.000 1.457 332 Q HN 0.396 nan 8.270 nan 0.000 0.394 333 L N 1.226 122.576 121.223 0.210 0.000 2.322 333 L HA 0.750 5.094 4.340 0.006 0.000 0.279 333 L C -1.043 175.855 176.870 0.047 0.000 1.036 333 L CA -0.823 54.137 54.840 0.200 0.000 0.807 333 L CB 1.864 44.086 42.059 0.271 0.000 1.226 333 L HN 0.663 nan 8.230 nan 0.000 0.433 334 V N 3.513 123.454 119.914 0.046 0.000 2.789 334 V HA 0.333 4.457 4.120 0.006 0.000 0.300 334 V C -0.758 175.357 176.094 0.035 0.000 1.184 334 V CA -1.004 61.308 62.300 0.020 0.000 0.930 334 V CB 2.361 34.185 31.823 0.002 0.000 1.041 334 V HN 0.736 nan 8.190 nan 0.000 0.430 335 K N 5.162 125.581 120.400 0.032 0.000 2.201 335 K HA 0.702 5.026 4.320 0.006 0.000 0.278 335 K C -1.121 175.519 176.600 0.066 0.000 1.027 335 K CA -0.149 56.166 56.287 0.046 0.000 0.909 335 K CB 0.960 33.481 32.500 0.036 0.000 1.062 335 K HN 0.597 nan 8.250 nan 0.000 0.465 336 L N 4.065 125.344 121.223 0.094 0.000 2.309 336 L HA 0.475 4.819 4.340 0.006 0.000 0.282 336 L C -0.353 176.586 176.870 0.115 0.000 1.036 336 L CA -0.783 54.125 54.840 0.113 0.000 0.806 336 L CB 1.727 43.859 42.059 0.121 0.000 1.220 336 L HN 0.740 nan 8.230 nan 0.000 0.429 337 N N 0.108 118.898 118.700 0.148 0.000 2.240 337 N HA 0.304 5.048 4.740 0.006 0.000 0.302 337 N C 0.694 176.324 175.510 0.198 0.000 1.106 337 N CA -0.803 52.336 53.050 0.149 0.000 0.778 337 N CB 2.609 41.180 38.487 0.140 0.000 1.431 337 N HN 0.260 nan 8.380 nan 0.000 0.479 338 V N -0.605 119.389 119.914 0.134 0.000 2.469 338 V HA -0.145 3.979 4.120 0.006 0.000 0.251 338 V C 0.134 176.411 176.094 0.305 0.000 1.064 338 V CA 1.488 63.858 62.300 0.116 0.000 1.066 338 V CB -0.471 31.390 31.823 0.064 0.000 0.667 338 V HN 0.680 nan 8.190 nan 0.000 0.461 339 D N 0.675 121.250 120.400 0.293 0.000 2.217 339 D HA 0.360 5.004 4.640 0.006 0.000 0.243 339 D C 0.011 176.300 176.300 -0.017 0.000 1.054 339 D CA 0.104 54.236 54.000 0.220 0.000 0.838 339 D CB 1.786 42.635 40.800 0.080 0.000 1.162 339 D HN 0.369 nan 8.370 nan 0.000 0.472 340 S N 1.834 117.208 115.700 -0.543 0.000 2.415 340 S HA 0.213 4.686 4.470 0.006 0.000 0.313 340 S C 0.582 174.954 174.600 -0.380 0.000 1.067 340 S CA -0.990 56.676 58.200 -0.890 0.000 1.099 340 S CB 0.409 62.564 63.200 -1.741 0.000 0.991 340 S HN 0.410 nan 8.310 nan 0.000 0.491 341 N N 2.724 121.289 118.700 -0.225 0.000 2.267 341 N HA 0.011 4.754 4.740 0.006 0.000 0.269 341 N C -0.013 175.420 175.510 -0.129 0.000 1.287 341 N CA -0.221 52.749 53.050 -0.133 0.000 0.916 341 N CB -0.501 37.936 38.487 -0.083 0.000 1.052 341 N HN 0.552 nan 8.380 nan 0.000 0.496 342 E N -1.109 119.040 120.200 -0.086 0.000 2.680 342 E HA -0.287 4.067 4.350 0.006 0.000 0.278 342 E C 0.680 177.230 176.600 -0.084 0.000 1.018 342 E CA 0.663 57.020 56.400 -0.073 0.000 0.991 342 E CB -0.104 29.564 29.700 -0.053 0.000 1.006 342 E HN 0.765 nan 8.360 nan 0.000 0.464 343 Q N 0.322 120.079 119.800 -0.071 0.000 2.151 343 Q HA -0.311 4.033 4.340 0.006 0.000 0.161 343 Q C 0.503 176.450 176.000 -0.088 0.000 0.610 343 Q CA 2.068 57.830 55.803 -0.068 0.000 1.451 343 Q CB -1.291 27.410 28.738 -0.062 0.000 1.538 343 Q HN 1.142 nan 8.270 nan 0.000 0.864 344 G N 0.221 108.941 108.800 -0.133 0.000 2.401 344 G HA2 -0.222 3.742 3.960 0.006 0.000 0.283 344 G HA3 -0.222 3.742 3.960 0.006 0.000 0.283 344 G C -0.405 174.355 174.900 -0.232 0.000 1.117 344 G CA 0.738 45.714 45.100 -0.205 0.000 1.051 344 G HN 0.788 nan 8.290 nan 0.000 0.510 345 S N -0.202 115.354 115.700 -0.242 0.000 2.718 345 S HA 0.572 5.045 4.470 0.006 0.000 0.294 345 S C 1.128 175.636 174.600 -0.154 0.000 1.157 345 S CA -0.593 57.516 58.200 -0.151 0.000 1.121 345 S CB 0.424 63.577 63.200 -0.077 0.000 1.015 345 S HN 0.373 nan 8.310 nan 0.000 0.479 346 Y N 2.705 122.993 120.300 -0.019 0.000 2.651 346 Y HA 0.058 4.611 4.550 0.006 0.000 0.296 346 Y C 0.927 176.822 175.900 -0.008 0.000 1.150 346 Y CA 0.220 58.314 58.100 -0.009 0.000 1.348 346 Y CB 0.076 38.533 38.460 -0.004 0.000 0.983 346 Y HN 0.392 nan 8.280 nan 0.000 0.555 347 V N 1.701 121.674 119.914 0.098 0.000 2.304 347 V HA 0.198 4.322 4.120 0.006 0.000 0.269 347 V C -0.139 175.964 176.094 0.015 0.000 1.036 347 V CA -0.896 61.436 62.300 0.053 0.000 0.840 347 V CB 0.769 32.609 31.823 0.027 0.000 1.036 347 V HN -0.181 nan 8.190 nan 0.000 0.466 348 V N 4.413 124.338 119.914 0.018 0.000 2.427 348 V HA 0.675 4.799 4.120 0.006 0.000 0.286 348 V C 0.692 176.783 176.094 -0.005 0.000 1.034 348 V CA -0.619 61.681 62.300 -0.001 0.000 0.893 348 V CB 1.726 33.549 31.823 0.001 0.000 0.982 348 V HN 0.899 nan 8.190 nan 0.000 0.452 349 A N 5.270 128.078 122.820 -0.019 0.000 2.388 349 A HA 0.627 4.951 4.320 0.006 0.000 0.257 349 A C 0.565 178.127 177.584 -0.037 0.000 1.095 349 A CA -0.061 51.956 52.037 -0.032 0.000 0.791 349 A CB 0.483 19.455 19.000 -0.047 0.000 1.029 349 A HN 0.921 nan 8.150 nan 0.000 0.489 350 M N 0.523 120.097 119.600 -0.044 0.000 3.101 350 M HA 0.240 4.724 4.480 0.006 0.000 0.236 350 M C 0.827 177.067 176.300 -0.099 0.000 1.538 350 M CA 0.660 55.932 55.300 -0.046 0.000 1.309 350 M CB 0.067 32.658 32.600 -0.015 0.000 1.141 350 M HN 0.807 nan 8.290 nan 0.000 0.579 351 E N 0.076 120.185 120.200 -0.152 0.000 2.244 351 E HA 0.347 4.701 4.350 0.006 0.000 0.266 351 E C -1.357 174.937 176.600 -0.511 0.000 0.914 351 E CA -0.333 55.845 56.400 -0.371 0.000 0.794 351 E CB 2.162 31.553 29.700 -0.515 0.000 1.210 351 E HN -0.065 nan 8.360 nan 0.000 0.414 352 T N 3.205 117.389 114.554 -0.618 0.000 2.847 352 T HA 0.413 4.766 4.350 0.006 0.000 0.291 352 T C -1.319 173.053 174.700 -0.547 0.000 0.998 352 T CA -0.427 61.392 62.100 -0.468 0.000 0.967 352 T CB 0.024 68.751 68.868 -0.235 0.000 0.954 352 T HN 0.245 nan 8.240 nan 0.000 0.441 353 F N 2.676 122.611 119.950 -0.024 0.000 2.415 353 F HA 0.368 4.899 4.527 0.006 0.000 0.348 353 F C 1.394 177.181 175.800 -0.021 0.000 1.119 353 F CA -1.126 56.872 58.000 -0.004 0.000 1.069 353 F CB 1.033 40.054 39.000 0.036 0.000 1.124 353 F HN 0.395 nan 8.300 nan 0.000 0.472 354 T N -0.046 114.581 114.554 0.123 0.000 2.870 354 T HA 0.125 4.479 4.350 0.006 0.000 0.300 354 T C -0.264 174.461 174.700 0.041 0.000 0.989 354 T CA -0.672 61.448 62.100 0.033 0.000 1.139 354 T CB 0.521 69.376 68.868 -0.023 0.000 0.920 354 T HN 0.438 nan 8.240 nan 0.000 0.537 355 N N 2.775 121.478 118.700 0.006 0.000 2.446 355 N HA 0.237 4.981 4.740 0.006 0.000 0.265 355 N C 0.821 176.304 175.510 -0.045 0.000 0.975 355 N CA -1.019 52.026 53.050 -0.009 0.000 0.928 355 N CB 0.751 39.232 38.487 -0.010 0.000 1.160 355 N HN 0.654 nan 8.380 nan 0.000 0.495 356 L N 2.286 123.479 121.223 -0.050 0.000 2.642 356 L HA 0.099 4.442 4.340 0.006 0.000 0.236 356 L C 1.347 178.174 176.870 -0.072 0.000 1.169 356 L CA 0.535 55.331 54.840 -0.073 0.000 0.851 356 L CB -1.402 40.612 42.059 -0.075 0.000 0.968 356 L HN 0.819 nan 8.230 nan 0.000 0.453 357 G N 0.468 109.233 108.800 -0.059 0.000 2.741 357 G HA2 -0.218 3.746 3.960 0.006 0.000 0.222 357 G HA3 -0.218 3.746 3.960 0.006 0.000 0.222 357 G C -2.711 172.152 174.900 -0.061 0.000 1.364 357 G CA -0.781 44.280 45.100 -0.064 0.000 0.866 357 G HN 0.083 nan 8.290 nan 0.000 0.555 358 P HA 0.372 nan 4.420 nan 0.000 0.271 358 P C 0.102 177.357 177.300 -0.075 0.000 1.233 358 P CA 0.079 63.138 63.100 -0.068 0.000 0.764 358 P CB 0.341 31.988 31.700 -0.089 0.000 0.825 359 I N 4.260 124.796 120.570 -0.055 0.000 2.308 359 I HA 0.033 4.207 4.170 0.006 0.000 0.293 359 I C 1.660 177.750 176.117 -0.045 0.000 1.078 359 I CA -0.252 61.011 61.300 -0.062 0.000 1.292 359 I CB 1.062 39.028 38.000 -0.058 0.000 1.423 359 I HN 0.140 nan 8.210 nan 0.000 0.493 360 V N 4.762 124.641 119.914 -0.058 0.000 3.174 360 V HA 0.070 4.193 4.120 0.006 0.000 0.254 360 V C 0.187 176.270 176.094 -0.019 0.000 1.120 360 V CA 1.221 63.498 62.300 -0.038 0.000 1.114 360 V CB -0.050 31.731 31.823 -0.069 0.000 0.756 360 V HN 0.872 nan 8.190 nan 0.000 0.467 361 D N -1.135 119.243 120.400 -0.036 0.000 2.710 361 D HA 0.461 5.105 4.640 0.006 0.000 0.276 361 D C -0.900 175.373 176.300 -0.046 0.000 1.267 361 D CA -0.390 53.597 54.000 -0.021 0.000 0.772 361 D CB 1.496 42.293 40.800 -0.005 0.000 1.299 361 D HN 0.116 nan 8.370 nan 0.000 0.421 362 M N -0.413 119.168 119.600 -0.032 0.000 3.012 362 M HA 0.710 5.193 4.480 0.006 0.000 0.272 362 M C -1.710 174.581 176.300 -0.016 0.000 1.187 362 M CA -0.792 54.476 55.300 -0.054 0.000 0.813 362 M CB 2.029 34.592 32.600 -0.061 0.000 1.626 362 M HN 0.869 nan 8.290 nan 0.000 0.507 363 C N -0.526 118.757 119.300 -0.028 0.000 3.302 363 C HA 0.808 5.271 4.460 0.006 0.000 0.347 363 C C -0.365 174.637 174.990 0.019 0.000 1.218 363 C CA -0.749 58.288 59.018 0.031 0.000 1.234 363 C CB 0.822 28.614 27.740 0.086 0.000 1.551 363 C HN 0.948 nan 8.230 nan 0.000 0.501 364 V N 1.051 121.000 119.914 0.057 0.000 3.385 364 V HA 0.766 4.889 4.120 0.006 0.000 0.301 364 V C 0.206 176.318 176.094 0.031 0.000 1.082 364 V CA -0.103 62.221 62.300 0.040 0.000 1.085 364 V CB 1.468 33.325 31.823 0.056 0.000 1.152 364 V HN 0.992 nan 8.190 nan 0.000 0.465 365 V N 0.206 120.119 119.914 -0.001 0.000 3.098 365 V HA 0.469 4.593 4.120 0.006 0.000 0.294 365 V C -0.933 175.137 176.094 -0.040 0.000 1.351 365 V CA -0.593 61.668 62.300 -0.066 0.000 0.999 365 V CB 1.996 33.802 31.823 -0.029 0.000 1.104 365 V HN 0.872 nan 8.190 nan 0.000 0.438 366 D N 1.541 121.905 120.400 -0.061 0.000 3.142 366 D HA -0.104 4.540 4.640 0.006 0.000 0.211 366 D C 0.056 176.191 176.300 -0.275 0.000 1.061 366 D CA 1.071 54.971 54.000 -0.167 0.000 0.923 366 D CB -1.023 39.597 40.800 -0.301 0.000 1.074 366 D HN 0.432 nan 8.370 nan 0.000 0.443 367 L N 0.138 121.296 121.223 -0.110 0.000 3.260 367 L HA 0.142 4.486 4.340 0.006 0.000 0.171 367 L C 1.646 178.496 176.870 -0.032 0.000 1.315 367 L CA -0.383 54.402 54.840 -0.093 0.000 0.886 367 L CB -0.363 41.698 42.059 0.003 0.000 1.431 367 L HN -0.094 nan 8.230 nan 0.000 0.583 368 E N 2.283 122.496 120.200 0.021 0.000 2.330 368 E HA -0.100 4.254 4.350 0.006 0.000 0.210 368 E C 0.145 176.775 176.600 0.051 0.000 1.256 368 E CA -0.257 56.178 56.400 0.058 0.000 1.346 368 E CB -0.601 29.143 29.700 0.074 0.000 1.308 368 E HN 0.326 nan 8.360 nan 0.000 0.441 369 R N 0.960 121.485 120.500 0.042 0.000 2.828 369 R HA -0.283 4.061 4.340 0.006 0.000 0.233 369 R C -0.075 176.247 176.300 0.036 0.000 0.821 369 R CA 0.938 57.064 56.100 0.044 0.000 0.563 369 R CB -0.785 29.549 30.300 0.056 0.000 1.117 369 R HN 0.499 nan 8.270 nan 0.000 0.508 370 Q N -0.863 118.954 119.800 0.028 0.000 2.339 370 Q HA 0.260 4.603 4.340 0.006 0.000 0.193 370 Q C 1.474 177.484 176.000 0.016 0.000 0.998 370 Q CA 0.630 56.446 55.803 0.021 0.000 0.847 370 Q CB 0.507 29.255 28.738 0.017 0.000 0.988 370 Q HN 0.643 nan 8.270 nan 0.000 0.558 371 G N 0.024 108.832 108.800 0.012 0.000 4.491 371 G HA2 -0.045 3.919 3.960 0.006 0.000 0.216 371 G HA3 -0.045 3.919 3.960 0.006 0.000 0.216 371 G C -0.635 174.269 174.900 0.007 0.000 0.705 371 G CA -0.266 44.839 45.100 0.010 0.000 0.832 371 G HN 0.206 nan 8.290 nan 0.000 0.602 372 Q N 0.841 120.644 119.800 0.005 0.000 2.205 372 Q HA 0.712 5.055 4.340 0.006 0.000 0.249 372 Q C 0.296 176.300 176.000 0.008 0.000 0.948 372 Q CA -0.734 55.071 55.803 0.003 0.000 0.895 372 Q CB 1.056 29.793 28.738 -0.002 0.000 1.249 372 Q HN 0.342 nan 8.270 nan 0.000 0.458 373 G N 1.460 110.265 108.800 0.009 0.000 2.332 373 G HA2 0.470 4.433 3.960 0.006 0.000 0.310 373 G HA3 0.470 4.433 3.960 0.006 0.000 0.310 373 G C -0.751 174.152 174.900 0.005 0.000 1.123 373 G CA -0.713 44.392 45.100 0.009 0.000 0.873 373 G HN 0.435 nan 8.290 nan 0.000 0.460 374 Q N 0.547 120.350 119.800 0.004 0.000 2.222 374 Q HA 0.384 4.728 4.340 0.006 0.000 0.252 374 Q C -1.013 174.978 176.000 -0.016 0.000 0.926 374 Q CA -0.802 55.001 55.803 0.000 0.000 0.899 374 Q CB 2.807 31.557 28.738 0.019 0.000 1.250 374 Q HN 0.404 nan 8.270 nan 0.000 0.441 375 L N 2.003 123.202 121.223 -0.040 0.000 2.307 375 L HA 0.431 4.775 4.340 0.006 0.000 0.284 375 L C -1.197 175.608 176.870 -0.108 0.000 1.023 375 L CA -0.566 54.238 54.840 -0.060 0.000 0.810 375 L CB 1.761 43.782 42.059 -0.063 0.000 1.231 375 L HN 0.344 nan 8.230 nan 0.000 0.423 376 V N 3.390 123.219 119.914 -0.140 0.000 2.487 376 V HA 0.667 4.791 4.120 0.006 0.000 0.298 376 V C -0.224 175.736 176.094 -0.223 0.000 1.028 376 V CA -0.355 61.800 62.300 -0.242 0.000 0.860 376 V CB 1.873 33.443 31.823 -0.422 0.000 0.991 376 V HN 0.879 nan 8.190 nan 0.000 0.427 377 T N 0.887 115.313 114.554 -0.213 0.000 2.886 377 T HA 0.469 4.823 4.350 0.006 0.000 0.292 377 T C -0.431 174.167 174.700 -0.171 0.000 1.012 377 T CA -0.612 61.389 62.100 -0.165 0.000 0.982 377 T CB 1.171 69.955 68.868 -0.139 0.000 1.018 377 T HN 0.577 nan 8.240 nan 0.000 0.451 378 C N 3.338 122.552 119.300 -0.143 0.000 2.499 378 C HA 0.760 5.224 4.460 0.006 0.000 0.386 378 C C 0.732 175.644 174.990 -0.131 0.000 1.293 378 C CA -0.350 58.585 59.018 -0.137 0.000 1.884 378 C CB -0.917 26.753 27.740 -0.115 0.000 2.509 378 C HN 0.983 nan 8.230 nan 0.000 0.566 379 S N 1.092 116.705 115.700 -0.144 0.000 2.627 379 S HA 0.911 5.384 4.470 0.006 0.000 0.283 379 S C 0.203 174.713 174.600 -0.150 0.000 1.127 379 S CA 0.438 58.556 58.200 -0.136 0.000 0.863 379 S CB 1.752 64.872 63.200 -0.133 0.000 1.121 379 S HN 1.666 nan 8.310 nan 0.000 0.479 380 G N 0.620 109.336 108.800 -0.139 0.000 2.698 380 G HA2 0.369 4.333 3.960 0.006 0.000 0.233 380 G HA3 0.369 4.333 3.960 0.006 0.000 0.233 380 G C -0.377 174.394 174.900 -0.215 0.000 1.352 380 G CA -0.090 44.923 45.100 -0.146 0.000 0.879 380 G HN 1.790 nan 8.290 nan 0.000 0.567 381 A N -1.855 120.816 122.820 -0.248 0.000 2.605 381 A HA 0.978 5.302 4.320 0.006 0.000 0.294 381 A C 0.223 177.595 177.584 -0.354 0.000 1.062 381 A CA 0.450 52.168 52.037 -0.531 0.000 0.682 381 A CB 0.338 18.861 19.000 -0.796 0.000 1.278 381 A HN 2.379 nan 8.150 nan 0.000 0.410 382 F N 0.156 120.069 119.950 -0.062 0.000 2.216 382 F HA -0.412 4.119 4.527 0.006 0.000 0.313 382 F C 2.269 178.040 175.800 -0.048 0.000 1.030 382 F CA 1.641 59.612 58.000 -0.048 0.000 0.956 382 F CB -0.661 38.320 39.000 -0.031 0.000 4.025 382 F HN 0.781 nan 8.300 nan 0.000 0.164 383 K N 1.191 121.717 120.400 0.210 0.000 2.362 383 K HA -0.111 4.213 4.320 0.006 0.000 0.200 383 K C 0.907 177.504 176.600 -0.005 0.000 1.046 383 K CA 1.904 58.255 56.287 0.108 0.000 0.952 383 K CB -0.287 32.294 32.500 0.134 0.000 0.753 383 K HN 0.577 nan 8.250 nan 0.000 0.466 384 E N 1.494 121.691 120.200 -0.004 0.000 2.511 384 E HA 0.035 4.388 4.350 0.006 0.000 0.196 384 E C 0.752 177.261 176.600 -0.152 0.000 1.066 384 E CA 0.349 56.700 56.400 -0.083 0.000 0.871 384 E CB -0.086 29.590 29.700 -0.041 0.000 0.863 384 E HN 0.440 nan 8.360 nan 0.000 0.520 385 G N 1.432 110.136 108.800 -0.160 0.000 2.491 385 G HA2 0.274 4.238 3.960 0.006 0.000 0.242 385 G HA3 0.274 4.238 3.960 0.006 0.000 0.242 385 G C 0.045 174.813 174.900 -0.221 0.000 1.266 385 G CA 0.347 45.337 45.100 -0.183 0.000 0.844 385 G HN 0.181 nan 8.290 nan 0.000 0.571 386 S N 0.641 116.225 115.700 -0.194 0.000 2.615 386 S HA 0.569 5.043 4.470 0.006 0.000 0.268 386 S C -0.943 173.552 174.600 -0.176 0.000 1.146 386 S CA -1.020 57.060 58.200 -0.200 0.000 0.818 386 S CB 0.808 63.883 63.200 -0.208 0.000 1.111 386 S HN 0.580 nan 8.310 nan 0.000 0.465 387 L N 1.146 122.262 121.223 -0.179 0.000 2.375 387 L HA 0.753 5.096 4.340 0.006 0.000 0.268 387 L C -0.026 176.701 176.870 -0.238 0.000 1.058 387 L CA -1.073 53.642 54.840 -0.208 0.000 0.803 387 L CB 0.996 42.926 42.059 -0.215 0.000 1.212 387 L HN 0.620 nan 8.230 nan 0.000 0.451 388 R N 2.268 122.614 120.500 -0.256 0.000 2.512 388 R HA 0.446 4.790 4.340 0.006 0.000 0.291 388 R C -1.466 174.670 176.300 -0.272 0.000 1.097 388 R CA -0.681 55.268 56.100 -0.251 0.000 0.940 388 R CB 1.649 31.832 30.300 -0.195 0.000 1.198 388 R HN 0.380 nan 8.270 nan 0.000 0.429 389 I N 4.359 124.740 120.570 -0.315 0.000 2.365 389 I HA 0.370 4.544 4.170 0.006 0.000 0.291 389 I C 0.491 176.492 176.117 -0.194 0.000 1.004 389 I CA -0.272 60.872 61.300 -0.261 0.000 1.311 389 I CB 0.850 38.667 38.000 -0.303 0.000 1.401 389 I HN 0.313 nan 8.210 nan 0.000 0.491 390 I N 5.551 126.042 120.570 -0.133 0.000 2.418 390 I HA 0.519 4.693 4.170 0.006 0.000 0.287 390 I C -0.337 175.756 176.117 -0.041 0.000 1.008 390 I CA -0.669 60.570 61.300 -0.101 0.000 1.104 390 I CB 1.381 39.324 38.000 -0.096 0.000 1.264 390 I HN 0.606 nan 8.210 nan 0.000 0.438 391 R N 4.739 125.242 120.500 0.004 0.000 2.480 391 R HA 0.368 4.712 4.340 0.006 0.000 0.306 391 R C -0.920 175.401 176.300 0.035 0.000 0.958 391 R CA -0.570 55.553 56.100 0.038 0.000 0.861 391 R CB 1.690 32.047 30.300 0.096 0.000 1.171 391 R HN 0.730 nan 8.270 nan 0.000 0.445 392 N N 1.368 120.075 118.700 0.012 0.000 2.497 392 N HA 0.327 5.070 4.740 0.006 0.000 0.271 392 N C -0.181 175.323 175.510 -0.009 0.000 1.142 392 N CA 1.509 54.561 53.050 0.002 0.000 0.965 392 N CB 0.770 39.254 38.487 -0.005 0.000 1.077 392 N HN 0.850 nan 8.380 nan 0.000 0.462 393 G N 1.742 110.531 108.800 -0.017 0.000 2.710 393 G HA2 -0.180 3.784 3.960 0.006 0.000 0.668 393 G HA3 -0.180 3.784 3.960 0.006 0.000 0.668 393 G C -0.809 174.055 174.900 -0.059 0.000 1.320 393 G CA -0.856 44.216 45.100 -0.046 0.000 0.860 393 G HN 0.535 nan 8.290 nan 0.000 0.538 394 I N 1.938 122.453 120.570 -0.092 0.000 2.330 394 I HA 0.544 4.718 4.170 0.006 0.000 0.289 394 I C 1.285 177.316 176.117 -0.143 0.000 1.001 394 I CA -0.109 61.120 61.300 -0.118 0.000 1.193 394 I CB 1.264 39.195 38.000 -0.116 0.000 1.345 394 I HN 0.833 nan 8.210 nan 0.000 0.461 395 G N 7.030 115.722 108.800 -0.180 0.000 2.547 395 G HA2 0.654 4.618 3.960 0.006 0.000 0.291 395 G HA3 0.654 4.618 3.960 0.006 0.000 0.291 395 G C -0.572 174.139 174.900 -0.315 0.000 1.211 395 G CA -0.274 44.692 45.100 -0.223 0.000 0.950 395 G HN 0.534 nan 8.290 nan 0.000 0.504 396 I N -2.006 118.341 120.570 -0.372 0.000 2.722 396 I HA 0.427 4.601 4.170 0.006 0.000 0.295 396 I C -1.546 174.301 176.117 -0.450 0.000 1.161 396 I CA -1.443 59.616 61.300 -0.403 0.000 1.032 396 I CB 1.582 39.449 38.000 -0.222 0.000 1.244 396 I HN 0.469 nan 8.210 nan 0.000 0.421 397 H N 5.199 124.208 119.070 -0.101 0.000 2.597 397 H HA 0.340 4.900 4.556 0.006 0.000 0.303 397 H C -0.276 174.903 175.328 -0.249 0.000 1.057 397 H CA -0.403 55.592 56.048 -0.090 0.000 1.261 397 H CB 1.052 30.821 29.762 0.013 0.000 1.397 397 H HN 0.682 nan 8.280 nan 0.000 0.461 398 E N 3.290 123.464 120.200 -0.043 0.000 2.259 398 E HA 0.127 4.481 4.350 0.006 0.000 0.281 398 E C -0.449 176.193 176.600 0.070 0.000 1.037 398 E CA -0.278 56.069 56.400 -0.089 0.000 0.854 398 E CB 1.009 30.691 29.700 -0.029 0.000 1.051 398 E HN 0.700 nan 8.360 nan 0.000 0.409 399 H N 2.550 121.688 119.070 0.113 0.000 2.348 399 H HA 0.310 4.870 4.556 0.006 0.000 0.313 399 H C 0.460 175.893 175.328 0.176 0.000 1.051 399 H CA 0.048 56.214 56.048 0.195 0.000 1.420 399 H CB 0.485 30.491 29.762 0.407 0.000 1.484 399 H HN 0.635 nan 8.280 nan 0.000 0.609 400 A N 0.190 123.159 122.820 0.249 0.000 2.263 400 A HA 0.635 4.959 4.320 0.006 0.000 0.318 400 A C -0.298 177.301 177.584 0.024 0.000 1.111 400 A CA -0.360 51.752 52.037 0.126 0.000 0.901 400 A CB 1.214 20.267 19.000 0.088 0.000 1.280 400 A HN 0.211 nan 8.150 nan 0.000 0.503 401 S N -0.310 115.398 115.700 0.014 0.000 2.769 401 S HA 0.314 4.788 4.470 0.006 0.000 0.150 401 S C -1.484 173.117 174.600 0.000 0.000 1.034 401 S CA -0.416 57.781 58.200 -0.004 0.000 1.096 401 S CB -0.622 62.585 63.200 0.011 0.000 1.567 401 S HN 0.476 nan 8.310 nan 0.000 0.435 402 I N 3.929 124.493 120.570 -0.011 0.000 2.301 402 I HA 0.242 4.415 4.170 0.006 0.000 0.292 402 I C 0.002 176.124 176.117 0.007 0.000 1.046 402 I CA -0.514 60.790 61.300 0.007 0.000 1.282 402 I CB 0.840 38.848 38.000 0.013 0.000 1.409 402 I HN 0.403 nan 8.210 nan 0.000 0.484 403 D N 8.257 128.668 120.400 0.019 0.000 2.398 403 D HA 0.085 4.728 4.640 0.006 0.000 0.250 403 D C -0.438 175.886 176.300 0.040 0.000 1.287 403 D CA 0.023 54.035 54.000 0.020 0.000 0.992 403 D CB 0.361 41.174 40.800 0.022 0.000 1.071 403 D HN 0.364 nan 8.370 nan 0.000 0.514 404 L N 3.073 124.310 121.223 0.023 0.000 2.384 404 L HA 0.254 4.597 4.340 0.006 0.000 0.261 404 L C -1.971 174.888 176.870 -0.018 0.000 1.024 404 L CA -1.948 52.920 54.840 0.046 0.000 0.899 404 L CB 2.220 44.298 42.059 0.033 0.000 1.243 404 L HN -0.009 nan 8.230 nan 0.000 0.449 405 P HA -0.019 nan 4.420 nan 0.000 0.259 405 P C 1.027 178.329 177.300 0.004 0.000 1.307 405 P CA 0.451 63.566 63.100 0.024 0.000 0.768 405 P CB 0.403 32.139 31.700 0.061 0.000 1.199 406 G N -0.389 108.330 108.800 -0.135 0.000 2.894 406 G HA2 0.094 4.058 3.960 0.006 0.000 0.202 406 G HA3 0.094 4.058 3.960 0.006 0.000 0.202 406 G C 0.294 174.969 174.900 -0.376 0.000 1.130 406 G CA -0.249 44.698 45.100 -0.256 0.000 0.820 406 G HN 0.139 nan 8.290 nan 0.000 0.647 407 I N 1.785 121.972 120.570 -0.638 0.000 3.461 407 I HA -0.176 3.998 4.170 0.006 0.000 0.351 407 I C 0.681 176.663 176.117 -0.224 0.000 1.167 407 I CA 0.559 61.577 61.300 -0.471 0.000 1.677 407 I CB 0.215 38.024 38.000 -0.319 0.000 1.231 407 I HN 0.091 nan 8.210 nan 0.000 0.443 408 K N 4.757 124.930 120.400 -0.378 0.000 2.413 408 K HA 0.394 4.718 4.320 0.006 0.000 0.204 408 K C 0.370 176.211 176.600 -1.265 0.000 1.041 408 K CA 0.178 56.162 56.287 -0.506 0.000 1.082 408 K CB 1.363 33.795 32.500 -0.114 0.000 0.871 408 K HN 0.930 nan 8.250 nan 0.000 0.535 409 G N 0.981 109.013 108.800 -1.280 0.000 2.347 409 G HA2 0.375 4.338 3.960 0.006 0.000 0.303 409 G HA3 0.375 4.338 3.960 0.006 0.000 0.303 409 G C -2.241 171.926 174.900 -1.223 0.000 1.481 409 G CA -1.009 43.277 45.100 -1.357 0.000 0.914 409 G HN 0.013 nan 8.290 nan 0.000 0.638 410 L N -3.090 117.165 121.223 -1.612 0.000 2.612 410 L HA 0.902 5.246 4.340 0.006 0.000 0.256 410 L C -1.296 174.866 176.870 -1.181 0.000 0.949 410 L CA -1.271 52.899 54.840 -1.116 0.000 0.867 410 L CB 1.564 43.335 42.059 -0.481 0.000 1.417 410 L HN 0.736 nan 8.230 nan 0.000 0.414 411 W N 0.806 122.002 121.300 -0.173 0.000 3.022 411 W HA 0.459 5.123 4.660 0.006 0.000 0.335 411 W C -2.322 174.091 176.519 -0.178 0.000 1.133 411 W CA -1.336 55.877 57.345 -0.221 0.000 1.219 411 W CB 2.539 31.827 29.460 -0.287 0.000 1.409 411 W HN 0.332 nan 8.180 nan 0.000 0.507 412 P HA 0.101 nan 4.420 nan 0.000 0.226 412 P C -0.141 177.118 177.300 -0.068 0.000 1.783 412 P CA -0.095 62.882 63.100 -0.204 0.000 0.980 412 P CB -0.099 31.316 31.700 -0.475 0.000 1.967 413 L N 3.001 124.298 121.223 0.123 0.000 2.385 413 L HA 0.156 4.500 4.340 0.006 0.000 0.281 413 L C 1.151 178.206 176.870 0.309 0.000 1.106 413 L CA -0.228 54.762 54.840 0.250 0.000 0.856 413 L CB 0.226 42.361 42.059 0.126 0.000 1.186 413 L HN 0.199 nan 8.230 nan 0.000 0.453 414 R N 1.921 122.619 120.500 0.330 0.000 2.539 414 R HA 0.275 4.619 4.340 0.006 0.000 0.275 414 R C 0.609 176.918 176.300 0.014 0.000 1.077 414 R CA -0.264 55.859 56.100 0.038 0.000 1.097 414 R CB 0.425 30.601 30.300 -0.208 0.000 1.018 414 R HN 0.502 nan 8.270 nan 0.000 0.483 415 S N -0.268 115.423 115.700 -0.015 0.000 2.523 415 S HA 0.048 4.521 4.470 0.006 0.000 0.217 415 S C -0.553 174.027 174.600 -0.033 0.000 0.996 415 S CA -0.170 58.012 58.200 -0.030 0.000 0.921 415 S CB 0.246 63.427 63.200 -0.032 0.000 0.829 415 S HN 0.656 nan 8.310 nan 0.000 0.495 416 D N 1.018 121.393 120.400 -0.041 0.000 2.471 416 D HA 0.361 5.005 4.640 0.006 0.000 0.245 416 D C -1.992 174.279 176.300 -0.048 0.000 1.116 416 D CA -2.042 51.935 54.000 -0.039 0.000 0.853 416 D CB 2.028 42.805 40.800 -0.038 0.000 1.123 416 D HN -0.077 nan 8.370 nan 0.000 0.540 417 P HA -0.217 nan 4.420 nan 0.000 0.219 417 P C 1.083 178.364 177.300 -0.032 0.000 1.153 417 P CA 1.365 64.452 63.100 -0.021 0.000 0.865 417 P CB 0.275 31.971 31.700 -0.006 0.000 0.788 418 N N 0.198 118.877 118.700 -0.035 0.000 2.083 418 N HA -0.109 4.635 4.740 0.006 0.000 0.190 418 N C 0.845 176.321 175.510 -0.057 0.000 1.047 418 N CA 0.458 53.487 53.050 -0.036 0.000 0.845 418 N CB -0.924 37.547 38.487 -0.027 0.000 1.025 418 N HN 0.217 nan 8.380 nan 0.000 0.428 419 R N 1.621 122.079 120.500 -0.071 0.000 2.570 419 R HA 0.099 4.442 4.340 0.006 0.000 0.277 419 R C 0.207 176.408 176.300 -0.164 0.000 1.039 419 R CA -0.063 55.981 56.100 -0.094 0.000 1.065 419 R CB 0.518 30.767 30.300 -0.084 0.000 0.964 419 R HN 0.151 nan 8.270 nan 0.000 0.428 420 E N 1.225 121.333 120.200 -0.153 0.000 2.516 420 E HA -0.073 4.281 4.350 0.006 0.000 0.199 420 E C 0.538 176.893 176.600 -0.408 0.000 1.069 420 E CA 0.847 57.116 56.400 -0.217 0.000 0.876 420 E CB 0.060 29.712 29.700 -0.080 0.000 0.843 420 E HN 0.776 nan 8.360 nan 0.000 0.530 421 T N -1.019 113.344 114.554 -0.318 0.000 2.922 421 T HA 0.323 4.676 4.350 0.006 0.000 0.285 421 T C -0.490 173.969 174.700 -0.402 0.000 1.005 421 T CA -0.625 61.323 62.100 -0.254 0.000 1.061 421 T CB 0.568 69.410 68.868 -0.043 0.000 1.007 421 T HN -0.112 nan 8.240 nan 0.000 0.502 422 Y N 2.440 122.764 120.300 0.040 0.000 2.345 422 Y HA 0.320 4.873 4.550 0.006 0.000 0.331 422 Y C 0.742 176.665 175.900 0.039 0.000 0.959 422 Y CA -1.498 56.622 58.100 0.033 0.000 1.204 422 Y CB 1.268 39.748 38.460 0.034 0.000 1.135 422 Y HN 0.788 nan 8.280 nan 0.000 0.477 423 D N -0.477 120.003 120.400 0.134 0.000 2.349 423 D HA 0.053 4.696 4.640 0.006 0.000 0.214 423 D C -0.148 176.203 176.300 0.085 0.000 1.063 423 D CA 0.117 54.176 54.000 0.099 0.000 0.847 423 D CB 0.184 41.015 40.800 0.052 0.000 0.933 423 D HN 0.349 nan 8.370 nan 0.000 0.513 424 T N 0.527 115.136 114.554 0.092 0.000 2.887 424 T HA 0.533 4.886 4.350 0.006 0.000 0.288 424 T C -0.913 173.828 174.700 0.069 0.000 1.021 424 T CA -0.717 61.419 62.100 0.060 0.000 1.000 424 T CB 2.201 71.080 68.868 0.018 0.000 1.034 424 T HN -0.020 nan 8.240 nan 0.000 0.467 425 L N 3.290 124.546 121.223 0.055 0.000 2.342 425 L HA 0.602 4.946 4.340 0.006 0.000 0.276 425 L C -0.948 175.978 176.870 0.094 0.000 0.997 425 L CA -0.533 54.339 54.840 0.054 0.000 0.838 425 L CB 1.301 43.366 42.059 0.009 0.000 1.224 425 L HN 0.471 nan 8.230 nan 0.000 0.416 426 V N 5.990 125.994 119.914 0.150 0.000 2.439 426 V HA 0.494 4.617 4.120 0.006 0.000 0.282 426 V C -0.447 175.843 176.094 0.327 0.000 1.039 426 V CA -0.487 61.947 62.300 0.223 0.000 0.913 426 V CB 1.468 33.443 31.823 0.254 0.000 0.983 426 V HN 0.618 nan 8.190 nan 0.000 0.460 427 L N 3.021 124.419 121.223 0.293 0.000 2.436 427 L HA 0.694 5.038 4.340 0.006 0.000 0.268 427 L C -0.081 176.977 176.870 0.313 0.000 0.974 427 L CA -0.467 54.517 54.840 0.240 0.000 0.826 427 L CB 1.675 43.754 42.059 0.034 0.000 1.291 427 L HN 0.391 nan 8.230 nan 0.000 0.406 428 S N 1.519 117.457 115.700 0.397 0.000 2.558 428 S HA 0.608 5.082 4.470 0.006 0.000 0.288 428 S C -0.547 174.119 174.600 0.109 0.000 1.318 428 S CA 0.313 58.679 58.200 0.277 0.000 1.056 428 S CB 0.011 63.399 63.200 0.313 0.000 0.853 428 S HN 0.476 nan 8.310 nan 0.000 0.505 429 F N 2.048 122.030 119.950 0.053 0.000 2.790 429 F HA 0.432 4.963 4.527 0.006 0.000 0.337 429 F C -0.234 175.594 175.800 0.047 0.000 1.163 429 F CA -1.073 56.950 58.000 0.039 0.000 0.997 429 F CB 1.045 40.063 39.000 0.030 0.000 1.437 429 F HN 0.241 nan 8.300 nan 0.000 0.512 430 V N 2.978 123.203 119.914 0.519 0.000 2.248 430 V HA 0.149 4.272 4.120 0.006 0.000 0.230 430 V C 0.901 177.106 176.094 0.186 0.000 1.383 430 V CA 1.124 63.597 62.300 0.288 0.000 1.442 430 V CB -1.363 30.626 31.823 0.276 0.000 1.472 430 V HN 1.062 nan 8.190 nan 0.000 0.490 431 G N 3.170 112.065 108.800 0.159 0.000 2.305 431 G HA2 -0.265 3.699 3.960 0.006 0.000 0.287 431 G HA3 -0.265 3.699 3.960 0.006 0.000 0.287 431 G C -0.025 174.908 174.900 0.055 0.000 1.036 431 G CA 0.750 45.908 45.100 0.097 0.000 0.887 431 G HN 0.664 nan 8.290 nan 0.000 0.505 432 Q N -1.767 118.087 119.800 0.091 0.000 2.687 432 Q HA 0.771 5.115 4.340 0.006 0.000 0.305 432 Q C -0.910 175.144 176.000 0.090 0.000 1.006 432 Q CA -0.806 55.022 55.803 0.042 0.000 0.763 432 Q CB 1.916 30.630 28.738 -0.040 0.000 1.506 432 Q HN 0.154 nan 8.270 nan 0.000 0.459 433 T N 1.250 115.836 114.554 0.052 0.000 3.031 433 T HA 0.404 4.757 4.350 0.006 0.000 0.305 433 T C -1.127 173.628 174.700 0.090 0.000 0.985 433 T CA -0.735 61.434 62.100 0.114 0.000 1.008 433 T CB 0.769 69.674 68.868 0.060 0.000 1.005 433 T HN 0.239 nan 8.240 nan 0.000 0.444 434 R N 2.039 122.640 120.500 0.168 0.000 2.428 434 R HA 0.708 5.052 4.340 0.006 0.000 0.294 434 R C -0.469 175.914 176.300 0.138 0.000 1.000 434 R CA -0.616 55.549 56.100 0.108 0.000 0.960 434 R CB 1.658 32.027 30.300 0.114 0.000 1.076 434 R HN 0.370 nan 8.270 nan 0.000 0.475 435 V N 3.481 123.448 119.914 0.088 0.000 2.732 435 V HA 0.477 4.601 4.120 0.006 0.000 0.310 435 V C 0.239 176.369 176.094 0.059 0.000 1.053 435 V CA -0.857 61.488 62.300 0.076 0.000 0.957 435 V CB 1.867 33.715 31.823 0.041 0.000 1.018 435 V HN 0.555 nan 8.190 nan 0.000 0.452 436 L N 3.904 125.158 121.223 0.052 0.000 2.481 436 L HA 0.440 4.784 4.340 0.006 0.000 0.255 436 L C -0.352 176.540 176.870 0.036 0.000 1.192 436 L CA -0.167 54.700 54.840 0.045 0.000 0.924 436 L CB 1.156 43.245 42.059 0.050 0.000 1.179 436 L HN 0.565 nan 8.230 nan 0.000 0.491 437 M N 3.929 123.544 119.600 0.024 0.000 2.435 437 M HA 0.202 4.686 4.480 0.006 0.000 0.338 437 M C -0.497 175.825 176.300 0.037 0.000 1.628 437 M CA 0.175 55.488 55.300 0.022 0.000 1.215 437 M CB 0.175 32.779 32.600 0.007 0.000 1.905 437 M HN 0.361 nan 8.290 nan 0.000 0.457 438 L N 3.725 124.980 121.223 0.054 0.000 2.305 438 L HA 0.229 4.572 4.340 0.006 0.000 0.281 438 L C 1.249 178.154 176.870 0.059 0.000 1.085 438 L CA -0.075 54.809 54.840 0.073 0.000 0.813 438 L CB 0.344 42.473 42.059 0.115 0.000 1.157 438 L HN 0.633 nan 8.230 nan 0.000 0.436 439 N N 2.575 121.306 118.700 0.052 0.000 3.111 439 N HA 0.063 4.807 4.740 0.006 0.000 0.302 439 N C 0.872 176.402 175.510 0.033 0.000 1.317 439 N CA 0.710 53.781 53.050 0.034 0.000 1.151 439 N CB 0.125 38.627 38.487 0.025 0.000 1.456 439 N HN 0.973 nan 8.380 nan 0.000 0.547 440 G N 2.277 111.104 108.800 0.044 0.000 4.951 440 G HA2 -0.367 3.596 3.960 0.006 0.000 0.295 440 G HA3 -0.367 3.596 3.960 0.006 0.000 0.295 440 G C 0.506 175.436 174.900 0.049 0.000 1.540 440 G CA 0.468 45.587 45.100 0.032 0.000 1.044 440 G HN 0.614 nan 8.290 nan 0.000 0.731 441 E N 1.072 121.275 120.200 0.005 0.000 2.526 441 E HA 0.517 4.871 4.350 0.006 0.000 0.208 441 E C 0.648 177.327 176.600 0.133 0.000 0.997 441 E CA 0.399 56.793 56.400 -0.010 0.000 0.961 441 E CB 0.659 30.239 29.700 -0.199 0.000 1.030 441 E HN 0.586 nan 8.360 nan 0.000 0.483 442 E N 0.924 121.184 120.200 0.101 0.000 2.204 442 E HA 0.346 4.700 4.350 0.006 0.000 0.276 442 E C -1.125 175.531 176.600 0.094 0.000 0.974 442 E CA -0.878 55.574 56.400 0.086 0.000 0.815 442 E CB 1.729 31.458 29.700 0.048 0.000 1.119 442 E HN -0.020 nan 8.360 nan 0.000 0.393 443 V N 4.078 124.041 119.914 0.081 0.000 2.439 443 V HA 0.321 4.445 4.120 0.006 0.000 0.282 443 V C -0.293 175.829 176.094 0.047 0.000 1.039 443 V CA -0.047 62.292 62.300 0.065 0.000 0.913 443 V CB 1.404 33.263 31.823 0.060 0.000 0.983 443 V HN 0.713 nan 8.190 nan 0.000 0.460 444 E N 4.846 125.071 120.200 0.042 0.000 2.397 444 E HA 0.278 4.632 4.350 0.006 0.000 0.293 444 E C -1.391 175.226 176.600 0.028 0.000 0.930 444 E CA -0.603 55.815 56.400 0.031 0.000 0.793 444 E CB 1.886 31.602 29.700 0.027 0.000 1.259 444 E HN 0.813 nan 8.360 nan 0.000 0.406 445 E N 3.733 123.946 120.200 0.023 0.000 2.092 445 E HA 0.406 4.759 4.350 0.006 0.000 0.271 445 E C -0.372 176.234 176.600 0.010 0.000 0.919 445 E CA -0.605 55.807 56.400 0.020 0.000 0.760 445 E CB 1.756 31.469 29.700 0.021 0.000 1.106 445 E HN 0.563 nan 8.360 nan 0.000 0.408 446 T N -0.116 114.443 114.554 0.009 0.000 2.693 446 T HA 0.367 4.721 4.350 0.006 0.000 0.278 446 T C 0.194 174.896 174.700 0.003 0.000 0.994 446 T CA -0.971 61.131 62.100 0.003 0.000 1.033 446 T CB 1.128 69.996 68.868 0.000 0.000 1.342 446 T HN 0.521 nan 8.240 nan 0.000 0.538 447 E N -0.036 120.165 120.200 0.001 0.000 2.405 447 E HA 0.582 4.936 4.350 0.006 0.000 0.253 447 E C -1.180 175.416 176.600 -0.008 0.000 1.257 447 E CA -0.972 55.432 56.400 0.005 0.000 0.960 447 E CB 0.502 30.206 29.700 0.006 0.000 1.077 447 E HN 0.427 nan 8.360 nan 0.000 0.512 448 L N 0.981 122.204 121.223 0.000 0.000 2.849 448 L HA 0.135 4.478 4.340 0.006 0.000 0.256 448 L C -0.886 175.995 176.870 0.018 0.000 0.951 448 L CA -0.329 54.483 54.840 -0.047 0.000 1.003 448 L CB 1.749 43.708 42.059 -0.166 0.000 1.408 448 L HN 0.615 nan 8.230 nan 0.000 0.463 449 M N 3.302 122.915 119.600 0.022 0.000 2.243 449 M HA 0.209 4.693 4.480 0.006 0.000 0.365 449 M C 1.391 177.791 176.300 0.166 0.000 1.327 449 M CA 1.366 56.708 55.300 0.069 0.000 0.918 449 M CB -0.920 31.706 32.600 0.043 0.000 1.894 449 M HN 0.930 nan 8.290 nan 0.000 0.473 450 G N 2.916 111.817 108.800 0.169 0.000 2.143 450 G HA2 -0.263 3.701 3.960 0.006 0.000 0.248 450 G HA3 -0.263 3.701 3.960 0.006 0.000 0.248 450 G C -0.452 174.611 174.900 0.271 0.000 0.991 450 G CA -0.305 44.912 45.100 0.195 0.000 0.689 450 G HN 0.651 nan 8.290 nan 0.000 0.522 451 F N 1.186 121.125 119.950 -0.017 0.000 2.564 451 F HA 0.464 4.994 4.527 0.006 0.000 0.368 451 F C 0.843 176.622 175.800 -0.034 0.000 1.127 451 F CA -1.122 56.861 58.000 -0.029 0.000 1.170 451 F CB 1.276 40.263 39.000 -0.022 0.000 1.397 451 F HN 0.274 nan 8.300 nan 0.000 0.493 452 V N 0.423 120.334 119.914 -0.004 0.000 2.644 452 V HA -0.015 4.109 4.120 0.006 0.000 0.305 452 V C 0.710 176.804 176.094 -0.001 0.000 1.053 452 V CA 0.038 62.329 62.300 -0.015 0.000 1.186 452 V CB 0.255 32.039 31.823 -0.064 0.000 0.895 452 V HN 0.675 nan 8.190 nan 0.000 0.490 453 D N 2.099 122.503 120.400 0.006 0.000 2.367 453 D HA -0.040 4.604 4.640 0.006 0.000 0.207 453 D C 0.777 177.062 176.300 -0.025 0.000 1.034 453 D CA 0.710 54.711 54.000 0.001 0.000 0.861 453 D CB -0.086 40.715 40.800 0.003 0.000 0.943 453 D HN 0.773 nan 8.370 nan 0.000 0.515 454 D N -0.044 120.338 120.400 -0.030 0.000 2.643 454 D HA 0.061 4.705 4.640 0.006 0.000 0.244 454 D C -0.247 176.029 176.300 -0.041 0.000 1.257 454 D CA -0.304 53.676 54.000 -0.035 0.000 0.831 454 D CB 0.039 40.822 40.800 -0.028 0.000 1.043 454 D HN 0.009 nan 8.370 nan 0.000 0.488 455 Q N 0.630 120.395 119.800 -0.058 0.000 2.289 455 Q HA 0.182 4.526 4.340 0.006 0.000 0.270 455 Q C -0.907 175.003 176.000 -0.149 0.000 1.038 455 Q CA -0.421 55.321 55.803 -0.101 0.000 0.812 455 Q CB 2.639 31.301 28.738 -0.126 0.000 1.300 455 Q HN 0.255 nan 8.270 nan 0.000 0.427 456 Q N 1.994 121.672 119.800 -0.202 0.000 2.409 456 Q HA 0.104 4.447 4.340 0.006 0.000 0.240 456 Q C -0.616 174.954 176.000 -0.716 0.000 1.226 456 Q CA 0.221 55.853 55.803 -0.284 0.000 0.895 456 Q CB 0.214 28.861 28.738 -0.151 0.000 1.491 456 Q HN 0.460 nan 8.270 nan 0.000 0.509 457 T N 3.472 117.767 114.554 -0.432 0.000 2.937 457 T HA -0.040 4.314 4.350 0.006 0.000 0.316 457 T C 0.058 174.469 174.700 -0.481 0.000 1.079 457 T CA 0.296 62.089 62.100 -0.512 0.000 1.131 457 T CB 0.252 68.897 68.868 -0.372 0.000 1.000 457 T HN 0.409 nan 8.240 nan 0.000 0.549 458 F N 0.918 120.743 119.950 -0.209 0.000 2.746 458 F HA 0.550 5.081 4.527 0.006 0.000 0.320 458 F C -0.081 175.667 175.800 -0.087 0.000 1.097 458 F CA -0.928 57.057 58.000 -0.026 0.000 1.195 458 F CB -0.006 39.030 39.000 0.059 0.000 1.056 458 F HN 0.516 nan 8.300 nan 0.000 0.562 459 F N -1.992 117.480 119.950 -0.797 0.000 2.944 459 F HA 0.413 4.943 4.527 0.006 0.000 0.324 459 F C -0.693 174.383 175.800 -1.207 0.000 1.151 459 F CA -1.339 56.028 58.000 -1.056 0.000 0.883 459 F CB 1.010 39.816 39.000 -0.325 0.000 1.341 459 F HN -0.321 nan 8.300 nan 0.000 0.456 460 C N 2.469 121.096 119.300 -1.123 0.000 4.031 460 C HA 0.420 4.883 4.460 0.006 0.000 0.374 460 C C 0.707 175.569 174.990 -0.213 0.000 2.961 460 C CA -0.154 58.545 59.018 -0.532 0.000 1.583 460 C CB -1.371 26.050 27.740 -0.532 0.000 2.694 460 C HN 1.257 nan 8.230 nan 0.000 0.345 461 G N 1.245 110.001 108.800 -0.073 0.000 2.608 461 G HA2 0.041 4.005 3.960 0.006 0.000 0.291 461 G HA3 0.041 4.005 3.960 0.006 0.000 0.291 461 G C 0.030 175.040 174.900 0.183 0.000 1.306 461 G CA 0.207 45.431 45.100 0.206 0.000 1.085 461 G HN 0.716 nan 8.290 nan 0.000 0.619 462 N N -0.107 118.705 118.700 0.187 0.000 3.114 462 N HA 0.339 5.083 4.740 0.006 0.000 0.289 462 N C -0.085 175.504 175.510 0.131 0.000 1.519 462 N CA -0.541 52.607 53.050 0.164 0.000 1.026 462 N CB 1.274 39.874 38.487 0.188 0.000 1.306 462 N HN 0.510 nan 8.380 nan 0.000 0.495 463 V N 0.019 120.002 119.914 0.114 0.000 2.529 463 V HA 0.471 4.594 4.120 0.006 0.000 0.292 463 V C 1.073 177.200 176.094 0.055 0.000 1.028 463 V CA -1.109 61.224 62.300 0.056 0.000 1.074 463 V CB -0.001 31.832 31.823 0.016 0.000 0.958 463 V HN 0.361 nan 8.190 nan 0.000 0.481 464 A N 3.606 126.452 122.820 0.043 0.000 2.364 464 A HA 0.398 4.722 4.320 0.006 0.000 0.258 464 A C 0.906 178.635 177.584 0.242 0.000 1.131 464 A CA 0.513 52.645 52.037 0.158 0.000 0.800 464 A CB -0.660 18.481 19.000 0.236 0.000 1.086 464 A HN 1.818 nan 8.150 nan 0.000 0.508 465 H N -1.587 117.504 119.070 0.036 0.000 2.886 465 H HA -0.140 4.420 4.556 0.006 0.000 0.294 465 H C 0.317 175.669 175.328 0.039 0.000 1.246 465 H CA 0.996 57.067 56.048 0.039 0.000 1.142 465 H CB -2.702 27.087 29.762 0.045 0.000 1.358 465 H HN 0.772 nan 8.280 nan 0.000 0.406 466 Q N -2.061 117.826 119.800 0.145 0.000 2.494 466 Q HA -0.261 4.083 4.340 0.006 0.000 0.272 466 Q C -0.134 175.920 176.000 0.089 0.000 1.145 466 Q CA 1.473 57.331 55.803 0.092 0.000 0.943 466 Q CB -0.758 28.021 28.738 0.069 0.000 1.338 466 Q HN 0.871 nan 8.270 nan 0.000 0.492 467 Q N -0.268 119.591 119.800 0.098 0.000 2.458 467 Q HA 0.802 5.145 4.340 0.006 0.000 0.282 467 Q C -0.379 175.688 176.000 0.111 0.000 1.106 467 Q CA -1.015 54.845 55.803 0.095 0.000 0.814 467 Q CB 1.838 30.628 28.738 0.087 0.000 1.425 467 Q HN 0.163 nan 8.270 nan 0.000 0.437 468 L N 0.988 122.303 121.223 0.153 0.000 2.334 468 L HA 0.651 4.995 4.340 0.006 0.000 0.270 468 L C -0.369 176.670 176.870 0.281 0.000 1.018 468 L CA -1.173 53.816 54.840 0.248 0.000 0.811 468 L CB 1.522 43.749 42.059 0.279 0.000 1.271 468 L HN 0.551 nan 8.230 nan 0.000 0.443 469 I N 1.889 122.626 120.570 0.278 0.000 2.730 469 I HA 0.334 4.508 4.170 0.006 0.000 0.298 469 I C -1.390 174.597 176.117 -0.217 0.000 1.089 469 I CA -0.216 61.106 61.300 0.037 0.000 1.041 469 I CB 2.231 40.257 38.000 0.044 0.000 1.235 469 I HN 0.777 nan 8.210 nan 0.000 0.423 470 Q N 8.084 127.572 119.800 -0.520 0.000 2.786 470 Q HA 0.397 4.741 4.340 0.006 0.000 0.240 470 Q C -1.489 174.271 176.000 -0.399 0.000 0.928 470 Q CA -0.479 54.913 55.803 -0.685 0.000 0.721 470 Q CB 1.143 29.041 28.738 -1.401 0.000 1.318 470 Q HN 0.638 nan 8.270 nan 0.000 0.474 471 I N 2.218 122.640 120.570 -0.247 0.000 2.517 471 I HA 0.085 4.259 4.170 0.006 0.000 0.285 471 I C 0.701 176.695 176.117 -0.206 0.000 1.106 471 I CA 0.516 61.727 61.300 -0.148 0.000 1.402 471 I CB 1.013 38.988 38.000 -0.041 0.000 1.399 471 I HN 0.383 nan 8.210 nan 0.000 0.535 472 T N 3.160 117.601 114.554 -0.189 0.000 2.919 472 T HA 0.221 4.575 4.350 0.006 0.000 0.282 472 T C 1.309 175.894 174.700 -0.192 0.000 1.020 472 T CA -0.403 61.510 62.100 -0.311 0.000 0.994 472 T CB 1.697 70.410 68.868 -0.259 0.000 1.180 472 T HN 0.655 nan 8.240 nan 0.000 0.566 473 S N 0.784 116.282 115.700 -0.336 0.000 2.393 473 S HA -0.202 4.271 4.470 0.006 0.000 0.235 473 S C 1.844 176.526 174.600 0.138 0.000 1.061 473 S CA 1.873 60.143 58.200 0.118 0.000 1.129 473 S CB -0.843 62.394 63.200 0.062 0.000 1.011 473 S HN 0.801 nan 8.310 nan 0.000 0.436 474 A N 1.368 124.205 122.820 0.029 0.000 2.773 474 A HA 0.286 4.610 4.320 0.006 0.000 0.185 474 A C 1.178 178.793 177.584 0.051 0.000 1.559 474 A CA 0.719 52.775 52.037 0.032 0.000 0.663 474 A CB -1.018 17.976 19.000 -0.009 0.000 1.098 474 A HN 0.616 nan 8.150 nan 0.000 0.495 475 S N -0.727 114.984 115.700 0.018 0.000 2.554 475 S HA 0.403 4.876 4.470 0.006 0.000 0.278 475 S C -0.141 174.486 174.600 0.044 0.000 1.242 475 S CA -0.052 58.185 58.200 0.061 0.000 1.051 475 S CB 1.279 64.489 63.200 0.017 0.000 0.986 475 S HN 1.567 nan 8.310 nan 0.000 0.502 476 V N 5.154 125.140 119.914 0.120 0.000 2.242 476 V HA 0.252 4.375 4.120 0.006 0.000 0.242 476 V C 0.650 176.738 176.094 -0.011 0.000 1.240 476 V CA -0.593 61.712 62.300 0.008 0.000 1.211 476 V CB -1.586 30.195 31.823 -0.070 0.000 1.338 476 V HN 0.874 nan 8.190 nan 0.000 0.499 477 R N 3.717 124.164 120.500 -0.088 0.000 2.944 477 R HA 0.453 4.796 4.340 0.006 0.000 0.279 477 R C -0.634 175.618 176.300 -0.080 0.000 1.048 477 R CA -0.351 55.692 56.100 -0.096 0.000 1.196 477 R CB 0.348 30.533 30.300 -0.192 0.000 1.134 477 R HN 0.607 nan 8.270 nan 0.000 0.525 478 L N -0.008 121.199 121.223 -0.027 0.000 2.493 478 L HA 0.428 4.771 4.340 0.006 0.000 0.265 478 L C -1.561 175.361 176.870 0.087 0.000 0.954 478 L CA -0.541 54.314 54.840 0.026 0.000 0.844 478 L CB 2.442 44.522 42.059 0.035 0.000 1.302 478 L HN 0.333 nan 8.230 nan 0.000 0.405 479 V N 2.764 122.774 119.914 0.160 0.000 2.925 479 V HA 0.667 4.791 4.120 0.006 0.000 0.311 479 V C -0.102 176.077 176.094 0.141 0.000 1.104 479 V CA -0.564 61.854 62.300 0.196 0.000 0.954 479 V CB 2.229 34.283 31.823 0.387 0.000 1.022 479 V HN 0.824 nan 8.190 nan 0.000 0.427 480 S N 1.063 116.821 115.700 0.096 0.000 2.713 480 S HA 0.389 4.863 4.470 0.006 0.000 0.283 480 S C 0.469 175.098 174.600 0.048 0.000 1.161 480 S CA -0.580 57.662 58.200 0.070 0.000 0.999 480 S CB 1.687 64.921 63.200 0.057 0.000 1.039 480 S HN 0.782 nan 8.310 nan 0.000 0.548 481 Q N 0.670 120.496 119.800 0.043 0.000 2.304 481 Q HA 0.084 4.428 4.340 0.006 0.000 0.204 481 Q C 1.510 177.522 176.000 0.020 0.000 0.936 481 Q CA 0.757 56.576 55.803 0.026 0.000 0.878 481 Q CB -0.138 28.617 28.738 0.029 0.000 0.983 481 Q HN 0.615 nan 8.270 nan 0.000 0.516 482 E N 0.894 121.110 120.200 0.027 0.000 1.999 482 E HA -0.088 4.266 4.350 0.006 0.000 0.194 482 E C -0.370 176.242 176.600 0.021 0.000 0.995 482 E CA 1.048 57.461 56.400 0.022 0.000 0.825 482 E CB -1.416 28.299 29.700 0.025 0.000 0.777 482 E HN 0.251 nan 8.360 nan 0.000 0.459 483 P HA -0.125 nan 4.420 nan 0.000 0.213 483 P C -0.063 177.251 177.300 0.024 0.000 1.170 483 P CA 1.436 64.551 63.100 0.025 0.000 0.893 483 P CB 0.032 31.751 31.700 0.032 0.000 0.784 484 K N -2.158 118.261 120.400 0.031 0.000 3.510 484 K HA -0.005 4.318 4.320 0.006 0.000 0.275 484 K C -0.554 176.068 176.600 0.038 0.000 1.094 484 K CA 0.591 56.895 56.287 0.028 0.000 0.822 484 K CB -1.671 30.832 32.500 0.005 0.000 1.351 484 K HN 0.292 nan 8.250 nan 0.000 0.458 485 A N 0.737 123.591 122.820 0.056 0.000 4.729 485 A HA 0.727 5.050 4.320 0.006 0.000 0.170 485 A C -1.287 176.344 177.584 0.079 0.000 0.741 485 A CA -0.237 51.837 52.037 0.060 0.000 0.936 485 A CB 0.369 19.394 19.000 0.042 0.000 1.982 485 A HN 0.633 nan 8.150 nan 0.000 0.938 486 L N 1.972 123.231 121.223 0.059 0.000 2.556 486 L HA 0.378 4.722 4.340 0.006 0.000 0.245 486 L C 0.932 177.831 176.870 0.048 0.000 1.174 486 L CA 0.117 54.989 54.840 0.054 0.000 1.117 486 L CB -0.165 41.916 42.059 0.037 0.000 1.409 486 L HN 0.436 nan 8.230 nan 0.000 0.411 487 V N 1.004 120.953 119.914 0.058 0.000 2.317 487 V HA -0.243 3.881 4.120 0.006 0.000 0.251 487 V C 1.750 177.875 176.094 0.051 0.000 1.065 487 V CA 2.125 64.458 62.300 0.055 0.000 1.049 487 V CB -0.773 31.088 31.823 0.065 0.000 0.651 487 V HN 0.816 nan 8.190 nan 0.000 0.450 488 S N -2.576 113.154 115.700 0.050 0.000 4.167 488 S HA 0.319 4.793 4.470 0.006 0.000 0.168 488 S C -0.123 174.505 174.600 0.046 0.000 1.032 488 S CA 0.390 58.622 58.200 0.053 0.000 1.146 488 S CB 0.661 63.903 63.200 0.070 0.000 1.888 488 S HN 0.693 nan 8.310 nan 0.000 0.844 489 E N -0.116 120.119 120.200 0.058 0.000 7.497 489 E HA -0.138 4.216 4.350 0.006 0.000 0.252 489 E C -1.368 175.297 176.600 0.108 0.000 0.836 489 E CA 0.315 56.749 56.400 0.057 0.000 1.569 489 E CB -1.246 28.463 29.700 0.015 0.000 0.905 489 E HN 0.442 nan 8.360 nan 0.000 0.263 490 W N 4.714 125.976 121.300 -0.065 0.000 1.738 490 W HA 0.634 5.297 4.660 0.006 0.000 0.433 490 W C 0.070 176.541 176.519 -0.081 0.000 1.942 490 W CA 0.797 58.098 57.345 -0.072 0.000 2.155 490 W CB 0.586 29.993 29.460 -0.089 0.000 1.489 490 W HN 0.586 nan 8.180 nan 0.000 0.768 491 K N 1.529 121.636 120.400 -0.488 0.000 2.669 491 K HA -0.004 4.320 4.320 0.006 0.000 0.274 491 K C -1.112 174.860 176.600 -1.046 0.000 1.057 491 K CA -0.501 55.502 56.287 -0.474 0.000 1.001 491 K CB 0.608 32.933 32.500 -0.291 0.000 1.384 491 K HN 0.299 nan 8.250 nan 0.000 0.418 492 E N 4.779 124.529 120.200 -0.750 0.000 2.465 492 E HA 0.061 4.415 4.350 0.006 0.000 0.260 492 E C -2.093 174.233 176.600 -0.457 0.000 0.980 492 E CA -1.181 54.801 56.400 -0.695 0.000 0.927 492 E CB 0.668 30.254 29.700 -0.189 0.000 0.934 492 E HN 0.268 nan 8.360 nan 0.000 0.459 493 P HA 0.070 nan 4.420 nan 0.000 0.244 493 P C -0.404 176.819 177.300 -0.130 0.000 1.723 493 P CA 0.446 63.403 63.100 -0.238 0.000 1.110 493 P CB 0.244 31.837 31.700 -0.177 0.000 1.972 494 Q N 0.549 120.277 119.800 -0.120 0.000 1.222 494 Q HA 0.072 4.416 4.340 0.006 0.000 0.120 494 Q C 0.516 176.480 176.000 -0.059 0.000 0.680 494 Q CA 0.709 56.472 55.803 -0.067 0.000 0.588 494 Q CB -0.851 27.867 28.738 -0.033 0.000 1.038 494 Q HN 0.289 nan 8.270 nan 0.000 0.316 495 A N 0.896 123.667 122.820 -0.082 0.000 3.095 495 A HA -0.204 4.119 4.320 0.006 0.000 0.248 495 A C -0.098 177.469 177.584 -0.029 0.000 1.369 495 A CA 1.384 53.385 52.037 -0.061 0.000 0.843 495 A CB -1.659 17.313 19.000 -0.046 0.000 1.064 495 A HN 0.083 nan 8.150 nan 0.000 0.636 496 K N 0.268 120.656 120.400 -0.020 0.000 2.138 496 K HA 0.406 4.730 4.320 0.006 0.000 0.263 496 K C -0.177 176.453 176.600 0.049 0.000 0.965 496 K CA -0.908 55.393 56.287 0.023 0.000 0.868 496 K CB 0.549 33.078 32.500 0.048 0.000 1.083 496 K HN 0.422 nan 8.250 nan 0.000 0.443 497 N N 2.339 121.079 118.700 0.067 0.000 2.520 497 N HA 0.142 4.886 4.740 0.006 0.000 0.273 497 N C -0.178 175.408 175.510 0.127 0.000 1.155 497 N CA -0.048 53.063 53.050 0.100 0.000 0.967 497 N CB 0.535 39.084 38.487 0.104 0.000 1.092 497 N HN 0.396 nan 8.380 nan 0.000 0.457 498 I N 1.307 121.976 120.570 0.165 0.000 2.533 498 I HA -0.073 4.101 4.170 0.006 0.000 0.284 498 I C 1.639 177.826 176.117 0.116 0.000 1.109 498 I CA 0.047 61.445 61.300 0.163 0.000 1.412 498 I CB 0.627 38.743 38.000 0.193 0.000 1.396 498 I HN 0.585 nan 8.210 nan 0.000 0.543 499 S N 5.144 120.871 115.700 0.046 0.000 2.460 499 S HA 0.157 4.631 4.470 0.006 0.000 0.226 499 S C 0.466 174.996 174.600 -0.116 0.000 1.057 499 S CA -0.066 58.110 58.200 -0.040 0.000 0.948 499 S CB 0.400 63.605 63.200 0.007 0.000 0.822 499 S HN 0.389 nan 8.310 nan 0.000 0.512 500 V N 2.096 121.994 119.914 -0.028 0.000 2.569 500 V HA 0.786 4.910 4.120 0.006 0.000 0.301 500 V C 0.434 176.537 176.094 0.016 0.000 1.044 500 V CA -0.747 61.544 62.300 -0.014 0.000 0.874 500 V CB 0.947 32.799 31.823 0.048 0.000 1.002 500 V HN 0.642 nan 8.190 nan 0.000 0.424 501 A N 3.753 126.593 122.820 0.034 0.000 2.311 501 A HA 0.897 5.221 4.320 0.006 0.000 0.272 501 A C 0.347 177.899 177.584 -0.054 0.000 1.438 501 A CA 0.004 52.059 52.037 0.030 0.000 0.819 501 A CB 0.698 19.796 19.000 0.164 0.000 1.336 501 A HN 1.102 nan 8.150 nan 0.000 0.528 502 S N -3.737 111.813 115.700 -0.250 0.000 2.843 502 S HA 0.401 4.875 4.470 0.006 0.000 0.275 502 S C -1.110 173.061 174.600 -0.716 0.000 0.814 502 S CA 0.122 58.104 58.200 -0.364 0.000 0.912 502 S CB 0.024 63.118 63.200 -0.177 0.000 1.150 502 S HN 2.510 nan 8.310 nan 0.000 0.502 503 C N 3.276 122.144 119.300 -0.720 0.000 2.849 503 C HA 0.506 4.970 4.460 0.006 0.000 0.321 503 C C -0.023 174.823 174.990 -0.241 0.000 1.245 503 C CA 0.116 58.761 59.018 -0.622 0.000 1.176 503 C CB -0.263 26.923 27.740 -0.925 0.000 1.317 503 C HN 1.242 nan 8.230 nan 0.000 0.479 504 N N 1.225 119.872 118.700 -0.088 0.000 3.261 504 N HA 0.440 5.184 4.740 0.006 0.000 0.217 504 N C 0.501 176.072 175.510 0.103 0.000 1.152 504 N CA 0.555 53.638 53.050 0.056 0.000 1.153 504 N CB 0.359 38.849 38.487 0.006 0.000 1.474 504 N HN 0.519 nan 8.380 nan 0.000 0.577 505 S N -2.220 113.501 115.700 0.035 0.000 2.702 505 S HA 0.330 4.804 4.470 0.006 0.000 0.257 505 S C -0.009 174.574 174.600 -0.029 0.000 0.981 505 S CA -0.341 57.885 58.200 0.043 0.000 1.414 505 S CB 0.405 63.646 63.200 0.069 0.000 1.239 505 S HN 0.341 nan 8.310 nan 0.000 0.676 506 S N 0.214 115.868 115.700 -0.076 0.000 3.102 506 S HA 0.234 4.708 4.470 0.006 0.000 0.265 506 S C 0.131 174.627 174.600 -0.173 0.000 1.072 506 S CA -0.351 57.761 58.200 -0.145 0.000 0.946 506 S CB 0.686 63.831 63.200 -0.091 0.000 0.901 506 S HN 0.288 nan 8.310 nan 0.000 0.437 507 Q N 1.634 121.339 119.800 -0.157 0.000 2.259 507 Q HA 0.609 4.953 4.340 0.006 0.000 0.249 507 Q C -1.391 174.452 176.000 -0.262 0.000 0.914 507 Q CA -0.049 55.619 55.803 -0.224 0.000 0.904 507 Q CB 1.252 29.841 28.738 -0.249 0.000 1.213 507 Q HN 0.139 nan 8.270 nan 0.000 0.428 508 V N 3.636 123.370 119.914 -0.301 0.000 2.569 508 V HA 0.522 4.645 4.120 0.006 0.000 0.301 508 V C -1.148 174.763 176.094 -0.305 0.000 1.044 508 V CA -0.774 61.346 62.300 -0.300 0.000 0.874 508 V CB 1.975 33.647 31.823 -0.252 0.000 1.002 508 V HN 0.551 nan 8.190 nan 0.000 0.424 509 V N 5.457 125.204 119.914 -0.279 0.000 2.525 509 V HA 0.630 4.753 4.120 0.006 0.000 0.299 509 V C -0.103 175.917 176.094 -0.123 0.000 1.034 509 V CA -0.580 61.625 62.300 -0.159 0.000 0.863 509 V CB 2.046 33.794 31.823 -0.125 0.000 0.999 509 V HN 0.766 nan 8.190 nan 0.000 0.423 510 V N 1.902 121.776 119.914 -0.066 0.000 3.267 510 V HA 1.098 5.221 4.120 0.006 0.000 0.317 510 V C 0.089 176.241 176.094 0.098 0.000 1.131 510 V CA -0.648 61.637 62.300 -0.025 0.000 1.031 510 V CB 1.773 33.535 31.823 -0.102 0.000 1.159 510 V HN 1.210 nan 8.190 nan 0.000 0.454 511 A N -0.163 122.725 122.820 0.113 0.000 2.587 511 A HA 0.797 5.121 4.320 0.006 0.000 0.293 511 A C -0.512 177.168 177.584 0.161 0.000 1.087 511 A CA -0.078 52.052 52.037 0.156 0.000 0.692 511 A CB 2.011 21.074 19.000 0.105 0.000 1.291 511 A HN 1.306 nan 8.150 nan 0.000 0.407 512 V N 0.612 120.637 119.914 0.184 0.000 3.346 512 V HA 0.521 4.644 4.120 0.006 0.000 0.309 512 V C 1.250 177.397 176.094 0.089 0.000 1.457 512 V CA 0.890 63.287 62.300 0.162 0.000 1.069 512 V CB -0.212 31.764 31.823 0.255 0.000 0.944 512 V HN 1.963 nan 8.190 nan 0.000 0.449 513 G N 1.002 109.839 108.800 0.062 0.000 3.826 513 G HA2 -0.100 3.863 3.960 0.006 0.000 0.194 513 G HA3 -0.100 3.863 3.960 0.006 0.000 0.194 513 G C 0.824 175.732 174.900 0.013 0.000 2.087 513 G CA 0.232 45.341 45.100 0.014 0.000 1.230 513 G HN 0.199 nan 8.290 nan 0.000 0.393 514 R N 0.398 120.898 120.500 0.001 0.000 2.612 514 R HA 0.550 4.894 4.340 0.006 0.000 0.260 514 R C 0.968 177.218 176.300 -0.083 0.000 0.943 514 R CA 0.538 56.622 56.100 -0.027 0.000 1.036 514 R CB 1.323 31.598 30.300 -0.042 0.000 1.520 514 R HN 0.585 nan 8.270 nan 0.000 0.563 515 A N 1.755 124.544 122.820 -0.050 0.000 2.386 515 A HA 0.524 4.847 4.320 0.006 0.000 0.248 515 A C -0.305 177.190 177.584 -0.149 0.000 1.082 515 A CA 0.251 52.218 52.037 -0.116 0.000 0.789 515 A CB 0.357 19.428 19.000 0.119 0.000 1.025 515 A HN 0.140 nan 8.150 nan 0.000 0.490 516 L N 0.559 121.536 121.223 -0.410 0.000 2.422 516 L HA 0.563 4.907 4.340 0.006 0.000 0.264 516 L C -0.827 175.814 176.870 -0.381 0.000 0.984 516 L CA -0.408 54.235 54.840 -0.329 0.000 0.819 516 L CB 1.922 43.626 42.059 -0.592 0.000 1.330 516 L HN 0.901 nan 8.230 nan 0.000 0.410 517 Y N 0.590 120.918 120.300 0.047 0.000 3.326 517 Y HA 0.540 5.094 4.550 0.006 0.000 0.306 517 Y C -1.002 175.092 175.900 0.322 0.000 1.652 517 Y CA -0.619 57.572 58.100 0.152 0.000 0.810 517 Y CB 0.973 39.465 38.460 0.053 0.000 1.269 517 Y HN 0.431 nan 8.280 nan 0.000 0.744 518 Y N 0.886 121.310 120.300 0.207 0.000 1.953 518 Y HA 0.265 4.818 4.550 0.006 0.000 0.310 518 Y C -2.452 173.431 175.900 -0.028 0.000 1.281 518 Y CA -0.901 57.251 58.100 0.086 0.000 1.725 518 Y CB -0.436 38.131 38.460 0.179 0.000 1.240 518 Y HN 0.369 nan 8.280 nan 0.000 0.383 519 L N 5.272 126.659 121.223 0.273 0.000 2.271 519 L HA 0.721 5.064 4.340 0.006 0.000 0.265 519 L C -1.093 175.866 176.870 0.148 0.000 1.013 519 L CA -1.282 53.596 54.840 0.064 0.000 0.820 519 L CB 2.267 44.151 42.059 -0.291 0.000 1.352 519 L HN 0.608 nan 8.230 nan 0.000 0.443 520 Q N 0.838 120.660 119.800 0.038 0.000 2.315 520 Q HA 0.451 4.795 4.340 0.006 0.000 0.273 520 Q C -0.868 175.018 176.000 -0.189 0.000 1.053 520 Q CA -0.518 55.227 55.803 -0.097 0.000 0.817 520 Q CB 2.876 31.563 28.738 -0.086 0.000 1.326 520 Q HN 0.423 nan 8.270 nan 0.000 0.423 521 I N 2.262 122.654 120.570 -0.297 0.000 3.078 521 I HA 0.091 4.265 4.170 0.006 0.000 0.296 521 I C -0.065 175.899 176.117 -0.255 0.000 1.195 521 I CA -0.053 61.116 61.300 -0.217 0.000 1.542 521 I CB -1.255 36.631 38.000 -0.190 0.000 1.414 521 I HN 0.559 nan 8.210 nan 0.000 0.598 522 H N 3.294 122.354 119.070 -0.017 0.000 2.732 522 H HA 0.150 4.710 4.556 0.006 0.000 0.351 522 H C -1.936 173.447 175.328 0.091 0.000 1.090 522 H CA -1.915 54.157 56.048 0.041 0.000 1.431 522 H CB 0.399 30.195 29.762 0.057 0.000 1.447 522 H HN 0.039 nan 8.280 nan 0.000 0.582 523 P HA -0.139 nan 4.420 nan 0.000 0.243 523 P C -0.112 177.276 177.300 0.147 0.000 1.107 523 P CA 1.067 64.312 63.100 0.242 0.000 0.848 523 P CB -0.094 31.730 31.700 0.206 0.000 0.771 524 Q N -0.401 119.470 119.800 0.119 0.000 2.498 524 Q HA -0.201 4.143 4.340 0.006 0.000 0.270 524 Q C -0.167 175.880 176.000 0.078 0.000 0.936 524 Q CA 0.851 56.707 55.803 0.088 0.000 1.078 524 Q CB -1.678 27.107 28.738 0.078 0.000 1.322 524 Q HN 0.732 nan 8.270 nan 0.000 0.582 525 E N -1.130 119.117 120.200 0.079 0.000 2.393 525 E HA 0.528 4.881 4.350 0.006 0.000 0.282 525 E C -1.381 175.265 176.600 0.076 0.000 1.096 525 E CA -0.869 55.579 56.400 0.079 0.000 0.866 525 E CB 0.409 30.161 29.700 0.087 0.000 1.232 525 E HN 0.084 nan 8.360 nan 0.000 0.431 526 L N 1.412 122.687 121.223 0.087 0.000 2.259 526 L HA 0.549 4.893 4.340 0.006 0.000 0.288 526 L C 0.256 177.205 176.870 0.132 0.000 1.051 526 L CA -0.444 54.444 54.840 0.079 0.000 0.824 526 L CB 0.716 42.825 42.059 0.084 0.000 1.206 526 L HN 0.402 nan 8.230 nan 0.000 0.429 527 R N 2.565 123.139 120.500 0.123 0.000 2.346 527 R HA 0.294 4.638 4.340 0.006 0.000 0.311 527 R C -0.186 176.185 176.300 0.118 0.000 0.983 527 R CA -0.435 55.751 56.100 0.143 0.000 0.880 527 R CB 1.169 31.557 30.300 0.147 0.000 1.100 527 R HN 0.576 nan 8.270 nan 0.000 0.453 528 Q N 2.919 122.809 119.800 0.150 0.000 2.407 528 Q HA 0.182 4.526 4.340 0.006 0.000 0.214 528 Q C 0.188 176.204 176.000 0.026 0.000 1.043 528 Q CA 0.002 55.889 55.803 0.140 0.000 0.983 528 Q CB 0.903 29.823 28.738 0.302 0.000 1.211 528 Q HN 0.669 nan 8.270 nan 0.000 0.564 529 I N -1.251 119.296 120.570 -0.038 0.000 3.481 529 I HA 0.082 4.256 4.170 0.006 0.000 0.267 529 I C 0.194 176.312 176.117 0.001 0.000 1.044 529 I CA -0.040 61.166 61.300 -0.157 0.000 1.902 529 I CB 0.263 37.895 38.000 -0.614 0.000 1.680 529 I HN 0.449 nan 8.210 nan 0.000 0.426 530 S N -0.289 115.464 115.700 0.089 0.000 2.767 530 S HA 0.588 5.062 4.470 0.006 0.000 0.300 530 S C -1.077 173.623 174.600 0.166 0.000 1.123 530 S CA -0.270 58.046 58.200 0.192 0.000 0.992 530 S CB 2.004 65.449 63.200 0.408 0.000 1.138 530 S HN 0.446 nan 8.310 nan 0.000 0.550 531 H N -0.671 118.325 119.070 -0.125 0.000 3.129 531 H HA 0.531 5.091 4.556 0.006 0.000 0.342 531 H C -1.778 173.299 175.328 -0.418 0.000 1.092 531 H CA -0.111 55.700 56.048 -0.395 0.000 1.310 531 H CB 1.352 30.887 29.762 -0.378 0.000 1.932 531 H HN 0.583 nan 8.280 nan 0.000 0.507 532 T N 4.221 118.085 114.554 -1.150 0.000 3.435 532 T HA 0.213 4.567 4.350 0.006 0.000 0.344 532 T C -0.746 173.488 174.700 -0.777 0.000 1.211 532 T CA -0.882 60.711 62.100 -0.846 0.000 1.104 532 T CB 1.547 69.967 68.868 -0.746 0.000 1.196 532 T HN 0.637 nan 8.240 nan 0.000 0.471 533 E N 2.595 122.476 120.200 -0.532 0.000 2.342 533 E HA 0.654 5.008 4.350 0.006 0.000 0.257 533 E C -0.158 176.305 176.600 -0.229 0.000 1.150 533 E CA -0.801 55.400 56.400 -0.332 0.000 0.926 533 E CB 0.686 30.257 29.700 -0.215 0.000 1.074 533 E HN 0.370 nan 8.360 nan 0.000 0.449 534 M N 0.802 120.305 119.600 -0.161 0.000 2.593 534 M HA 0.190 4.674 4.480 0.006 0.000 0.290 534 M C 0.699 176.897 176.300 -0.170 0.000 1.244 534 M CA -0.680 54.541 55.300 -0.130 0.000 0.857 534 M CB 1.703 34.260 32.600 -0.071 0.000 1.738 534 M HN 0.444 nan 8.290 nan 0.000 0.461 535 E N 1.124 121.171 120.200 -0.254 0.000 2.181 535 E HA -0.215 4.139 4.350 0.006 0.000 0.225 535 E C 0.187 176.385 176.600 -0.671 0.000 1.073 535 E CA 1.956 58.021 56.400 -0.558 0.000 0.916 535 E CB -0.118 29.114 29.700 -0.780 0.000 0.793 535 E HN 0.564 nan 8.360 nan 0.000 0.472 536 H N -1.062 118.028 119.070 0.032 0.000 2.906 536 H HA 0.360 4.920 4.556 0.006 0.000 0.337 536 H C -0.245 175.129 175.328 0.076 0.000 1.257 536 H CA -0.834 55.251 56.048 0.061 0.000 1.192 536 H CB 0.534 30.361 29.762 0.108 0.000 1.912 536 H HN -0.068 nan 8.280 nan 0.000 0.573 537 E N 1.111 121.455 120.200 0.241 0.000 2.376 537 E HA 0.117 4.471 4.350 0.006 0.000 0.266 537 E C -0.436 176.358 176.600 0.322 0.000 1.009 537 E CA -0.277 56.202 56.400 0.133 0.000 0.902 537 E CB 0.899 30.472 29.700 -0.211 0.000 0.972 537 E HN 0.148 nan 8.360 nan 0.000 0.439 538 V N 4.532 124.577 119.914 0.218 0.000 2.425 538 V HA -0.055 4.068 4.120 0.006 0.000 0.276 538 V C 1.074 177.380 176.094 0.355 0.000 1.017 538 V CA 0.714 63.153 62.300 0.232 0.000 1.062 538 V CB 0.550 32.455 31.823 0.137 0.000 0.997 538 V HN 0.855 nan 8.190 nan 0.000 0.476 539 A N 5.054 128.063 122.820 0.314 0.000 1.874 539 A HA 0.080 4.404 4.320 0.006 0.000 0.214 539 A C 1.019 178.676 177.584 0.121 0.000 1.189 539 A CA 1.358 53.500 52.037 0.175 0.000 0.615 539 A CB -0.079 18.830 19.000 -0.152 0.000 0.830 539 A HN 0.978 nan 8.150 nan 0.000 0.443 540 C N -3.581 115.775 119.300 0.094 0.000 3.285 540 C HA 0.792 5.255 4.460 0.006 0.000 0.325 540 C C -1.064 173.976 174.990 0.083 0.000 1.304 540 C CA -1.302 57.767 59.018 0.084 0.000 1.319 540 C CB 0.591 28.372 27.740 0.069 0.000 1.640 540 C HN 0.348 nan 8.230 nan 0.000 0.477 541 L N 1.365 122.635 121.223 0.078 0.000 2.436 541 L HA 0.628 4.972 4.340 0.006 0.000 0.268 541 L C -1.273 175.631 176.870 0.056 0.000 0.974 541 L CA 0.214 55.093 54.840 0.065 0.000 0.826 541 L CB 1.847 43.939 42.059 0.056 0.000 1.291 541 L HN 0.845 nan 8.230 nan 0.000 0.406 542 D N 3.204 123.634 120.400 0.049 0.000 2.498 542 D HA 0.770 5.414 4.640 0.006 0.000 0.247 542 D C -1.303 175.003 176.300 0.009 0.000 1.070 542 D CA -0.185 53.841 54.000 0.043 0.000 0.842 542 D CB 1.818 42.658 40.800 0.068 0.000 1.361 542 D HN 0.337 nan 8.370 nan 0.000 0.484 543 I N -0.181 120.383 120.570 -0.010 0.000 2.627 543 I HA 0.549 4.723 4.170 0.006 0.000 0.288 543 I C -1.355 174.743 176.117 -0.032 0.000 1.202 543 I CA -0.565 60.708 61.300 -0.046 0.000 1.050 543 I CB 2.223 40.156 38.000 -0.113 0.000 1.264 543 I HN 0.156 nan 8.210 nan 0.000 0.429 544 T N 3.964 118.507 114.554 -0.018 0.000 3.109 544 T HA 0.467 4.821 4.350 0.006 0.000 0.311 544 T C -3.015 171.678 174.700 -0.010 0.000 1.011 544 T CA -1.257 60.840 62.100 -0.005 0.000 1.026 544 T CB 1.820 70.700 68.868 0.020 0.000 1.047 544 T HN 0.451 nan 8.240 nan 0.000 0.448 545 P HA 0.100 nan 4.420 nan 0.000 0.252 545 P C 0.378 177.683 177.300 0.008 0.000 1.183 545 P CA -0.151 62.941 63.100 -0.014 0.000 0.973 545 P CB 0.162 31.856 31.700 -0.009 0.000 0.990 546 L N 3.636 124.866 121.223 0.012 0.000 1.863 546 L HA -0.022 4.322 4.340 0.006 0.000 0.225 546 L C 2.570 179.498 176.870 0.097 0.000 1.098 546 L CA 2.590 57.469 54.840 0.065 0.000 0.814 546 L CB -1.635 40.462 42.059 0.064 0.000 0.888 546 L HN 0.350 nan 8.230 nan 0.000 0.431 547 G N -0.799 108.080 108.800 0.132 0.000 2.682 547 G HA2 -0.077 3.887 3.960 0.006 0.000 0.221 547 G HA3 -0.077 3.887 3.960 0.006 0.000 0.221 547 G C -0.093 174.848 174.900 0.069 0.000 1.386 547 G CA 0.486 45.677 45.100 0.152 0.000 0.909 547 G HN 0.573 nan 8.290 nan 0.000 0.558 548 D N 1.023 121.450 120.400 0.044 0.000 2.885 548 D HA 0.359 5.002 4.640 0.006 0.000 0.234 548 D C -0.192 176.116 176.300 0.014 0.000 1.129 548 D CA -0.117 53.899 54.000 0.026 0.000 0.991 548 D CB -0.286 40.524 40.800 0.017 0.000 1.137 548 D HN 0.222 nan 8.370 nan 0.000 0.459 549 S N -0.015 115.696 115.700 0.019 0.000 2.584 549 S HA 0.332 4.806 4.470 0.006 0.000 0.280 549 S C -1.081 173.532 174.600 0.022 0.000 1.162 549 S CA -1.154 57.056 58.200 0.015 0.000 0.951 549 S CB 0.878 64.079 63.200 0.001 0.000 1.108 549 S HN 0.218 nan 8.310 nan 0.000 0.464 550 N N 1.658 120.375 118.700 0.028 0.000 2.898 550 N HA 0.441 5.185 4.740 0.006 0.000 0.245 550 N C 0.917 176.450 175.510 0.040 0.000 1.185 550 N CA 0.237 53.308 53.050 0.035 0.000 0.879 550 N CB 1.152 39.663 38.487 0.040 0.000 1.157 550 N HN 1.174 nan 8.380 nan 0.000 0.503 551 G N 1.085 109.902 108.800 0.027 0.000 2.579 551 G HA2 -0.279 3.685 3.960 0.006 0.000 0.222 551 G HA3 -0.279 3.685 3.960 0.006 0.000 0.222 551 G C 0.013 174.910 174.900 -0.005 0.000 1.201 551 G CA -0.331 44.780 45.100 0.017 0.000 0.710 551 G HN 0.421 nan 8.290 nan 0.000 0.516 552 L N 1.832 123.062 121.223 0.012 0.000 2.326 552 L HA 0.704 5.047 4.340 0.006 0.000 0.278 552 L C 0.479 177.341 176.870 -0.014 0.000 1.092 552 L CA 0.310 55.153 54.840 0.006 0.000 0.810 552 L CB 1.837 43.926 42.059 0.049 0.000 1.153 552 L HN 0.287 nan 8.230 nan 0.000 0.439 553 S N 4.930 120.601 115.700 -0.047 0.000 2.552 553 S HA 0.586 5.060 4.470 0.006 0.000 0.314 553 S C -2.133 172.423 174.600 -0.074 0.000 1.099 553 S CA -1.465 56.695 58.200 -0.066 0.000 1.070 553 S CB 1.159 64.300 63.200 -0.099 0.000 0.998 553 S HN 0.377 nan 8.310 nan 0.000 0.474 554 P HA 0.037 nan 4.420 nan 0.000 0.259 554 P C 0.461 177.710 177.300 -0.085 0.000 1.353 554 P CA 0.000 63.061 63.100 -0.065 0.000 0.727 554 P CB -0.013 31.646 31.700 -0.068 0.000 1.300 555 L N -1.977 119.199 121.223 -0.078 0.000 2.416 555 L HA 0.409 4.752 4.340 0.006 0.000 0.212 555 L C 0.179 177.002 176.870 -0.078 0.000 1.200 555 L CA -0.320 54.474 54.840 -0.077 0.000 0.841 555 L CB -0.636 41.392 42.059 -0.053 0.000 1.299 555 L HN 0.241 nan 8.230 nan 0.000 0.538 556 C N -0.757 118.507 119.300 -0.059 0.000 3.285 556 C HA 0.901 5.364 4.460 0.006 0.000 0.325 556 C C -0.854 174.139 174.990 0.005 0.000 1.304 556 C CA 0.196 59.187 59.018 -0.045 0.000 1.319 556 C CB 1.290 28.970 27.740 -0.100 0.000 1.640 556 C HN 1.218 nan 8.230 nan 0.000 0.477 557 A N 3.397 126.235 122.820 0.029 0.000 2.520 557 A HA 0.894 5.218 4.320 0.006 0.000 0.298 557 A C -1.531 176.093 177.584 0.066 0.000 1.051 557 A CA -0.323 51.749 52.037 0.058 0.000 0.690 557 A CB 1.212 20.259 19.000 0.078 0.000 1.281 557 A HN 1.132 nan 8.150 nan 0.000 0.402 558 I N 0.918 121.531 120.570 0.071 0.000 2.752 558 I HA 0.679 4.853 4.170 0.006 0.000 0.295 558 I C -0.078 176.080 176.117 0.068 0.000 1.219 558 I CA -0.427 60.919 61.300 0.076 0.000 1.030 558 I CB 2.320 40.373 38.000 0.088 0.000 1.259 558 I HN 0.890 nan 8.210 nan 0.000 0.423 559 G N 7.109 115.950 108.800 0.068 0.000 2.461 559 G HA2 0.651 4.615 3.960 0.006 0.000 0.323 559 G HA3 0.651 4.615 3.960 0.006 0.000 0.323 559 G C -1.264 173.678 174.900 0.070 0.000 1.229 559 G CA -0.485 44.644 45.100 0.048 0.000 0.941 559 G HN 0.443 nan 8.290 nan 0.000 0.477 560 L N 0.566 121.835 121.223 0.077 0.000 2.304 560 L HA 0.453 4.797 4.340 0.006 0.000 0.268 560 L C 0.328 177.268 176.870 0.117 0.000 1.010 560 L CA -0.906 54.030 54.840 0.161 0.000 0.813 560 L CB 2.377 44.567 42.059 0.219 0.000 1.315 560 L HN 0.738 nan 8.230 nan 0.000 0.445 561 W N -0.177 121.154 121.300 0.051 0.000 3.197 561 W HA 0.049 4.713 4.660 0.006 0.000 0.274 561 W C 1.596 178.082 176.519 -0.056 0.000 1.297 561 W CA 0.285 57.637 57.345 0.012 0.000 1.662 561 W CB 0.587 30.071 29.460 0.039 0.000 1.106 561 W HN 0.508 nan 8.180 nan 0.000 0.663 562 T N -1.729 112.852 114.554 0.044 0.000 2.989 562 T HA -0.095 4.258 4.350 0.006 0.000 0.250 562 T C 1.264 175.839 174.700 -0.208 0.000 0.981 562 T CA 0.857 62.912 62.100 -0.075 0.000 0.980 562 T CB -0.005 68.787 68.868 -0.128 0.000 1.133 562 T HN 0.088 nan 8.240 nan 0.000 0.489 563 D N 1.613 121.773 120.400 -0.400 0.000 2.350 563 D HA 0.033 4.676 4.640 0.006 0.000 0.213 563 D C 0.397 176.618 176.300 -0.133 0.000 1.031 563 D CA -0.072 53.766 54.000 -0.271 0.000 0.861 563 D CB -0.434 40.177 40.800 -0.315 0.000 0.926 563 D HN 0.338 nan 8.370 nan 0.000 0.520 564 I N 1.157 121.658 120.570 -0.114 0.000 7.277 564 I HA -0.270 3.904 4.170 0.006 0.000 0.126 564 I C -0.144 175.928 176.117 -0.076 0.000 1.720 564 I CA 0.777 62.020 61.300 -0.096 0.000 2.268 564 I CB -1.600 36.345 38.000 -0.091 0.000 3.404 564 I HN 0.344 nan 8.210 nan 0.000 0.234 565 S N 2.257 117.928 115.700 -0.048 0.000 2.627 565 S HA 0.987 5.461 4.470 0.006 0.000 0.283 565 S C -0.605 173.986 174.600 -0.015 0.000 1.127 565 S CA -0.183 57.994 58.200 -0.038 0.000 0.863 565 S CB 2.698 65.892 63.200 -0.011 0.000 1.121 565 S HN 1.277 nan 8.310 nan 0.000 0.479 566 A N 1.769 124.576 122.820 -0.020 0.000 2.422 566 A HA 0.924 5.248 4.320 0.006 0.000 0.302 566 A C -0.767 176.814 177.584 -0.005 0.000 1.041 566 A CA -1.025 51.020 52.037 0.013 0.000 0.708 566 A CB 1.293 20.316 19.000 0.038 0.000 1.257 566 A HN 1.070 nan 8.150 nan 0.000 0.414 567 R N 2.523 123.031 120.500 0.014 0.000 2.566 567 R HA 0.490 4.834 4.340 0.006 0.000 0.271 567 R C -1.548 174.765 176.300 0.022 0.000 1.071 567 R CA -0.774 55.316 56.100 -0.016 0.000 0.915 567 R CB 0.860 31.148 30.300 -0.021 0.000 1.228 567 R HN 0.455 nan 8.270 nan 0.000 0.449 568 I N 3.748 124.328 120.570 0.017 0.000 2.371 568 I HA 0.342 4.516 4.170 0.006 0.000 0.290 568 I C 0.010 176.147 176.117 0.034 0.000 1.028 568 I CA -0.563 60.765 61.300 0.046 0.000 1.345 568 I CB 0.414 38.464 38.000 0.083 0.000 1.407 568 I HN 0.546 nan 8.210 nan 0.000 0.501 569 L N 6.155 127.393 121.223 0.025 0.000 2.301 569 L HA 0.541 4.885 4.340 0.006 0.000 0.249 569 L C 0.443 177.294 176.870 -0.032 0.000 1.069 569 L CA -0.515 54.334 54.840 0.015 0.000 0.865 569 L CB 1.648 43.738 42.059 0.051 0.000 1.467 569 L HN 0.495 nan 8.230 nan 0.000 0.419 570 K N -0.679 119.683 120.400 -0.062 0.000 2.522 570 K HA 0.494 4.817 4.320 0.006 0.000 0.258 570 K C -0.414 176.041 176.600 -0.242 0.000 0.981 570 K CA -0.268 55.954 56.287 -0.108 0.000 1.491 570 K CB 0.606 33.068 32.500 -0.064 0.000 2.722 570 K HN 0.343 nan 8.250 nan 0.000 0.934 571 L N -0.056 121.022 121.223 -0.241 0.000 2.960 571 L HA 0.312 4.656 4.340 0.006 0.000 0.214 571 L C -1.958 174.719 176.870 -0.321 0.000 1.481 571 L CA -0.381 54.250 54.840 -0.349 0.000 2.561 571 L CB -0.316 41.650 42.059 -0.155 0.000 2.413 571 L HN 0.320 nan 8.230 nan 0.000 0.875 572 P HA -0.121 nan 4.420 nan 0.000 0.218 572 P C 1.584 178.955 177.300 0.117 0.000 1.146 572 P CA 2.002 65.131 63.100 0.049 0.000 0.813 572 P CB -0.121 31.590 31.700 0.019 0.000 0.778 573 S N -1.129 114.605 115.700 0.057 0.000 2.335 573 S HA -0.131 4.342 4.470 0.006 0.000 0.216 573 S C 0.761 175.525 174.600 0.275 0.000 1.032 573 S CA 0.676 58.947 58.200 0.117 0.000 1.000 573 S CB -1.470 61.761 63.200 0.052 0.000 0.928 573 S HN 0.125 nan 8.310 nan 0.000 0.434 574 F N 2.096 122.056 119.950 0.016 0.000 2.916 574 F HA -0.107 4.424 4.527 0.006 0.000 0.333 574 F C -0.129 175.665 175.800 -0.010 0.000 0.931 574 F CA 0.504 58.505 58.000 0.001 0.000 1.314 574 F CB -1.929 37.059 39.000 -0.019 0.000 1.438 574 F HN 0.505 nan 8.300 nan 0.000 0.627 575 E N 1.469 121.729 120.200 0.099 0.000 2.167 575 E HA 0.375 4.728 4.350 0.006 0.000 0.284 575 E C 0.134 176.763 176.600 0.049 0.000 1.016 575 E CA -0.973 55.467 56.400 0.066 0.000 0.817 575 E CB 2.163 31.887 29.700 0.040 0.000 1.080 575 E HN 0.316 nan 8.360 nan 0.000 0.397 576 L N 5.176 126.427 121.223 0.046 0.000 2.584 576 L HA -0.014 4.330 4.340 0.006 0.000 0.272 576 L C -0.556 176.329 176.870 0.025 0.000 1.195 576 L CA 0.506 55.365 54.840 0.031 0.000 0.920 576 L CB -0.017 42.053 42.059 0.019 0.000 1.173 576 L HN 0.746 nan 8.230 nan 0.000 0.489 577 L N 4.903 126.143 121.223 0.029 0.000 2.568 577 L HA 0.274 4.617 4.340 0.006 0.000 0.187 577 L C 0.456 177.364 176.870 0.063 0.000 1.489 577 L CA 0.035 54.902 54.840 0.045 0.000 3.061 577 L CB -0.635 41.457 42.059 0.056 0.000 2.895 577 L HN 0.752 nan 8.230 nan 0.000 0.999 578 H N 0.250 119.315 119.070 -0.008 0.000 2.509 578 H HA 0.555 5.114 4.556 0.006 0.000 0.359 578 H C -0.876 174.447 175.328 -0.009 0.000 1.253 578 H CA -0.727 55.311 56.048 -0.017 0.000 1.373 578 H CB 0.833 30.575 29.762 -0.034 0.000 1.555 578 H HN 0.389 nan 8.280 nan 0.000 0.586 579 K N 0.693 120.431 120.400 -1.102 0.000 2.575 579 K HA 0.431 4.755 4.320 0.006 0.000 0.279 579 K C -1.592 174.571 176.600 -0.728 0.000 0.969 579 K CA -1.175 54.686 56.287 -0.710 0.000 0.868 579 K CB 1.623 33.958 32.500 -0.275 0.000 1.457 579 K HN 0.496 nan 8.250 nan 0.000 0.426 580 E N 1.302 121.306 120.200 -0.327 0.000 2.199 580 E HA 0.418 4.772 4.350 0.006 0.000 0.269 580 E C -1.298 175.233 176.600 -0.115 0.000 0.899 580 E CA -0.772 55.529 56.400 -0.165 0.000 0.772 580 E CB 1.788 31.463 29.700 -0.042 0.000 1.155 580 E HN 0.669 nan 8.360 nan 0.000 0.408 581 M N 5.474 125.017 119.600 -0.094 0.000 3.494 581 M HA 0.344 4.828 4.480 0.006 0.000 0.213 581 M C -1.243 174.997 176.300 -0.100 0.000 1.255 581 M CA -0.373 54.880 55.300 -0.079 0.000 1.360 581 M CB -0.395 32.175 32.600 -0.051 0.000 1.138 581 M HN 0.521 nan 8.290 nan 0.000 0.615 582 L N 0.157 121.281 121.223 -0.165 0.000 2.554 582 L HA 0.202 4.545 4.340 0.006 0.000 0.293 582 L C 1.257 178.059 176.870 -0.112 0.000 1.252 582 L CA 0.018 54.708 54.840 -0.250 0.000 0.862 582 L CB -0.652 41.148 42.059 -0.432 0.000 1.113 582 L HN 0.523 nan 8.230 nan 0.000 0.510 583 G N 0.677 109.448 108.800 -0.049 0.000 2.486 583 G HA2 0.515 4.479 3.960 0.006 0.000 0.272 583 G HA3 0.515 4.479 3.960 0.006 0.000 0.272 583 G C 0.261 175.166 174.900 0.009 0.000 1.426 583 G CA -0.182 44.917 45.100 -0.000 0.000 1.058 583 G HN 1.232 nan 8.290 nan 0.000 0.531 584 G N -2.180 106.630 108.800 0.017 0.000 2.716 584 G HA2 -0.085 3.878 3.960 0.006 0.000 0.686 584 G HA3 -0.085 3.878 3.960 0.006 0.000 0.686 584 G C 0.294 175.188 174.900 -0.010 0.000 1.337 584 G CA 0.239 45.348 45.100 0.014 0.000 0.829 584 G HN 0.542 nan 8.290 nan 0.000 0.599 585 E N -0.320 119.874 120.200 -0.009 0.000 2.474 585 E HA 0.101 4.455 4.350 0.006 0.000 0.194 585 E C 1.369 177.944 176.600 -0.042 0.000 1.041 585 E CA 0.265 56.655 56.400 -0.016 0.000 0.874 585 E CB 0.444 30.145 29.700 0.001 0.000 0.914 585 E HN 0.471 nan 8.360 nan 0.000 0.498 586 I N 3.336 123.877 120.570 -0.049 0.000 2.396 586 I HA 0.106 4.280 4.170 0.006 0.000 0.292 586 I C 0.457 176.492 176.117 -0.137 0.000 0.999 586 I CA -1.049 60.199 61.300 -0.086 0.000 1.310 586 I CB 0.938 38.908 38.000 -0.048 0.000 1.404 586 I HN -0.116 nan 8.210 nan 0.000 0.496 587 I N 6.412 126.828 120.570 -0.256 0.000 2.428 587 I HA 0.371 4.545 4.170 0.006 0.000 0.289 587 I C -2.403 173.576 176.117 -0.230 0.000 1.019 587 I CA -3.081 58.000 61.300 -0.365 0.000 1.351 587 I CB 0.149 37.661 38.000 -0.813 0.000 1.412 587 I HN 0.234 nan 8.210 nan 0.000 0.513 588 P HA 0.085 nan 4.420 nan 0.000 0.259 588 P C 0.270 177.522 177.300 -0.079 0.000 1.211 588 P CA -0.018 63.042 63.100 -0.066 0.000 0.810 588 P CB 0.532 32.209 31.700 -0.037 0.000 0.815 589 R N 1.532 122.006 120.500 -0.043 0.000 2.310 589 R HA 0.158 4.501 4.340 0.006 0.000 0.202 589 R C 0.002 176.319 176.300 0.029 0.000 0.933 589 R CA 0.294 56.381 56.100 -0.022 0.000 1.054 589 R CB 0.235 30.528 30.300 -0.013 0.000 0.985 589 R HN 0.434 nan 8.270 nan 0.000 0.489 590 S N -0.252 115.472 115.700 0.039 0.000 2.596 590 S HA 0.348 4.821 4.470 0.006 0.000 0.305 590 S C -1.808 172.837 174.600 0.076 0.000 1.086 590 S CA -0.751 57.489 58.200 0.068 0.000 0.909 590 S CB 0.770 64.014 63.200 0.074 0.000 1.106 590 S HN 0.140 nan 8.310 nan 0.000 0.450 591 I N 4.460 125.081 120.570 0.085 0.000 2.545 591 I HA 0.834 5.008 4.170 0.006 0.000 0.292 591 I C -1.644 174.533 176.117 0.100 0.000 1.040 591 I CA -0.655 60.701 61.300 0.094 0.000 1.068 591 I CB 1.697 39.750 38.000 0.088 0.000 1.251 591 I HN 0.623 nan 8.210 nan 0.000 0.424 592 L N 8.256 129.545 121.223 0.110 0.000 2.436 592 L HA 0.664 5.007 4.340 0.006 0.000 0.268 592 L C -1.071 175.876 176.870 0.129 0.000 0.974 592 L CA -0.577 54.329 54.840 0.109 0.000 0.826 592 L CB 1.908 44.028 42.059 0.102 0.000 1.291 592 L HN 0.676 nan 8.230 nan 0.000 0.406 593 M N 3.280 122.952 119.600 0.119 0.000 2.364 593 M HA 0.905 5.388 4.480 0.006 0.000 0.334 593 M C -0.893 175.485 176.300 0.130 0.000 1.107 593 M CA -0.029 55.356 55.300 0.141 0.000 0.988 593 M CB 1.996 34.662 32.600 0.109 0.000 1.673 593 M HN 0.701 nan 8.290 nan 0.000 0.441 594 T N -0.505 114.163 114.554 0.191 0.000 2.626 594 T HA 0.773 5.126 4.350 0.006 0.000 0.299 594 T C -0.553 174.270 174.700 0.205 0.000 1.181 594 T CA -0.669 61.504 62.100 0.121 0.000 1.053 594 T CB 1.927 70.812 68.868 0.029 0.000 1.566 594 T HN 0.749 nan 8.240 nan 0.000 0.486 595 T N -0.226 114.328 114.554 0.001 0.000 2.883 595 T HA 0.753 5.107 4.350 0.006 0.000 0.301 595 T C -1.032 173.521 174.700 -0.246 0.000 1.158 595 T CA -0.450 61.645 62.100 -0.009 0.000 1.007 595 T CB 1.940 70.763 68.868 -0.075 0.000 1.186 595 T HN 0.571 nan 8.240 nan 0.000 0.499 596 F N 0.132 120.070 119.950 -0.019 0.000 1.943 596 F HA 0.344 4.874 4.527 0.006 0.000 0.219 596 F C 1.770 177.517 175.800 -0.089 0.000 1.259 596 F CA -0.395 57.550 58.000 -0.092 0.000 1.284 596 F CB 0.180 39.085 39.000 -0.160 0.000 1.919 596 F HN 0.511 nan 8.300 nan 0.000 0.171 597 E N -0.146 120.152 120.200 0.163 0.000 2.052 597 E HA 0.186 4.539 4.350 0.006 0.000 0.192 597 E C -0.226 176.442 176.600 0.113 0.000 0.958 597 E CA 0.831 57.298 56.400 0.111 0.000 0.835 597 E CB 0.104 29.896 29.700 0.154 0.000 0.811 597 E HN 0.021 nan 8.360 nan 0.000 0.462 598 S N 0.023 115.848 115.700 0.209 0.000 2.386 598 S HA 0.499 4.973 4.470 0.006 0.000 0.152 598 S C -1.315 173.421 174.600 0.226 0.000 1.511 598 S CA -0.364 57.922 58.200 0.143 0.000 1.246 598 S CB 0.999 64.260 63.200 0.101 0.000 1.338 598 S HN 0.124 nan 8.310 nan 0.000 0.409 599 S N 1.775 117.465 115.700 -0.016 0.000 2.586 599 S HA 0.459 4.932 4.470 0.006 0.000 0.277 599 S C -2.173 172.167 174.600 -0.434 0.000 1.131 599 S CA -0.652 57.436 58.200 -0.186 0.000 0.848 599 S CB 0.828 63.907 63.200 -0.202 0.000 1.091 599 S HN 0.564 nan 8.310 nan 0.000 0.453 600 H N 1.570 120.524 119.070 -0.193 0.000 2.524 600 H HA 0.562 5.122 4.556 0.006 0.000 0.353 600 H C -1.404 173.784 175.328 -0.233 0.000 1.136 600 H CA -0.219 55.788 56.048 -0.068 0.000 1.193 600 H CB 1.280 31.043 29.762 0.000 0.000 1.558 600 H HN 0.586 nan 8.280 nan 0.000 0.515 601 Y N 0.768 121.191 120.300 0.204 0.000 2.512 601 Y HA 0.328 4.882 4.550 0.006 0.000 0.348 601 Y C -0.444 175.546 175.900 0.149 0.000 0.990 601 Y CA -0.956 57.222 58.100 0.130 0.000 1.033 601 Y CB 2.356 40.826 38.460 0.017 0.000 1.259 601 Y HN 0.417 nan 8.280 nan 0.000 0.461 602 L N 4.021 125.451 121.223 0.344 0.000 2.343 602 L HA 0.781 5.125 4.340 0.006 0.000 0.278 602 L C -2.107 174.935 176.870 0.286 0.000 0.996 602 L CA -0.489 54.528 54.840 0.295 0.000 0.831 602 L CB 0.741 42.983 42.059 0.305 0.000 1.232 602 L HN 0.572 nan 8.230 nan 0.000 0.413 603 L N 5.510 126.854 121.223 0.201 0.000 2.365 603 L HA 0.638 4.981 4.340 0.006 0.000 0.273 603 L C -0.898 176.055 176.870 0.139 0.000 1.000 603 L CA -0.288 54.647 54.840 0.158 0.000 0.819 603 L CB 1.976 44.100 42.059 0.108 0.000 1.284 603 L HN 0.700 nan 8.230 nan 0.000 0.418 604 C N 2.921 122.302 119.300 0.134 0.000 2.432 604 C HA 0.880 5.344 4.460 0.006 0.000 0.334 604 C C -0.000 175.072 174.990 0.137 0.000 1.155 604 C CA -0.547 58.550 59.018 0.133 0.000 1.335 604 C CB 0.083 27.907 27.740 0.140 0.000 1.964 604 C HN 0.927 nan 8.230 nan 0.000 0.444 605 A N 6.735 129.612 122.820 0.095 0.000 2.301 605 A HA 0.785 5.109 4.320 0.006 0.000 0.312 605 A C -0.436 177.183 177.584 0.059 0.000 1.182 605 A CA -0.366 51.710 52.037 0.066 0.000 0.826 605 A CB 0.498 19.523 19.000 0.043 0.000 1.134 605 A HN 0.937 nan 8.150 nan 0.000 0.501 606 L N 1.660 122.915 121.223 0.053 0.000 2.440 606 L HA 0.555 4.899 4.340 0.006 0.000 0.262 606 L C 1.663 178.528 176.870 -0.009 0.000 1.072 606 L CA -0.403 54.453 54.840 0.027 0.000 0.798 606 L CB 0.917 43.013 42.059 0.063 0.000 1.307 606 L HN 0.797 nan 8.230 nan 0.000 0.475 607 G N -0.830 107.952 108.800 -0.031 0.000 2.838 607 G HA2 -0.122 3.841 3.960 0.006 0.000 0.210 607 G HA3 -0.122 3.841 3.960 0.006 0.000 0.210 607 G C 0.857 175.740 174.900 -0.027 0.000 1.153 607 G CA 0.343 45.422 45.100 -0.035 0.000 0.778 607 G HN 0.806 nan 8.290 nan 0.000 0.539 608 D N -0.048 120.338 120.400 -0.024 0.000 2.310 608 D HA 0.126 4.770 4.640 0.006 0.000 0.212 608 D C 1.826 178.109 176.300 -0.029 0.000 0.965 608 D CA 1.230 55.217 54.000 -0.022 0.000 0.879 608 D CB -0.384 40.406 40.800 -0.016 0.000 0.921 608 D HN 0.492 nan 8.370 nan 0.000 0.510 609 G N -0.145 108.635 108.800 -0.034 0.000 2.352 609 G HA2 -0.086 3.878 3.960 0.006 0.000 0.204 609 G HA3 -0.086 3.878 3.960 0.006 0.000 0.204 609 G C 0.560 175.426 174.900 -0.056 0.000 1.004 609 G CA 0.251 45.326 45.100 -0.041 0.000 0.648 609 G HN 0.775 nan 8.290 nan 0.000 0.491 610 A N 0.024 122.797 122.820 -0.079 0.000 2.327 610 A HA 0.841 5.165 4.320 0.006 0.000 0.255 610 A C 0.100 177.579 177.584 -0.175 0.000 1.099 610 A CA 0.920 52.867 52.037 -0.151 0.000 0.801 610 A CB 0.841 19.718 19.000 -0.204 0.000 1.062 610 A HN 1.652 nan 8.150 nan 0.000 0.496 611 L N -1.338 119.707 121.223 -0.297 0.000 2.403 611 L HA 0.886 5.230 4.340 0.006 0.000 0.253 611 L C -1.778 174.761 176.870 -0.552 0.000 1.045 611 L CA -0.719 53.975 54.840 -0.243 0.000 0.845 611 L CB 1.939 43.976 42.059 -0.037 0.000 1.447 611 L HN 0.657 nan 8.230 nan 0.000 0.411 612 F N 1.865 121.753 119.950 -0.104 0.000 2.569 612 F HA 0.493 5.024 4.527 0.006 0.000 0.312 612 F C -1.137 174.500 175.800 -0.271 0.000 1.109 612 F CA -0.506 57.317 58.000 -0.296 0.000 0.919 612 F CB 1.914 40.697 39.000 -0.362 0.000 1.211 612 F HN 0.362 nan 8.300 nan 0.000 0.446 613 Y N 3.467 123.553 120.300 -0.356 0.000 2.499 613 Y HA 0.822 5.375 4.550 0.006 0.000 0.347 613 Y C -2.072 173.654 175.900 -0.288 0.000 0.987 613 Y CA -3.000 55.005 58.100 -0.158 0.000 1.044 613 Y CB 1.290 39.776 38.460 0.044 0.000 1.245 613 Y HN 0.581 nan 8.280 nan 0.000 0.461 614 F N 1.485 122.049 119.950 1.023 0.000 2.668 614 F HA 0.615 5.146 4.527 0.006 0.000 0.309 614 F C 0.194 176.324 175.800 0.550 0.000 1.117 614 F CA -1.422 56.921 58.000 0.571 0.000 0.951 614 F CB 2.613 41.788 39.000 0.292 0.000 1.323 614 F HN 0.844 nan 8.300 nan 0.000 0.451 615 G N 1.996 111.145 108.800 0.581 0.000 2.335 615 G HA2 0.559 4.523 3.960 0.006 0.000 0.316 615 G HA3 0.559 4.523 3.960 0.006 0.000 0.316 615 G C -1.757 173.247 174.900 0.173 0.000 1.129 615 G CA -0.396 44.873 45.100 0.282 0.000 0.899 615 G HN 0.424 nan 8.290 nan 0.000 0.448 616 L N 2.027 123.331 121.223 0.135 0.000 2.360 616 L HA 0.512 4.855 4.340 0.006 0.000 0.271 616 L C -0.337 176.574 176.870 0.067 0.000 1.057 616 L CA -0.819 54.089 54.840 0.112 0.000 0.803 616 L CB 1.443 43.583 42.059 0.135 0.000 1.207 616 L HN 0.440 nan 8.230 nan 0.000 0.445 617 N N 5.062 123.779 118.700 0.028 0.000 2.524 617 N HA 0.234 4.978 4.740 0.006 0.000 0.261 617 N C 1.087 176.555 175.510 -0.070 0.000 0.998 617 N CA -0.196 52.851 53.050 -0.004 0.000 0.915 617 N CB 1.524 40.009 38.487 -0.003 0.000 1.187 617 N HN 0.705 nan 8.380 nan 0.000 0.507 618 I N -0.953 119.500 120.570 -0.195 0.000 2.367 618 I HA -0.316 3.857 4.170 0.006 0.000 0.256 618 I C 1.373 177.412 176.117 -0.131 0.000 1.132 618 I CA 1.540 62.677 61.300 -0.271 0.000 1.397 618 I CB -0.100 37.598 38.000 -0.503 0.000 1.074 618 I HN 0.312 nan 8.210 nan 0.000 0.435 619 E N 1.003 121.155 120.200 -0.080 0.000 2.094 619 E HA -0.047 4.307 4.350 0.006 0.000 0.193 619 E C 2.378 178.959 176.600 -0.033 0.000 0.950 619 E CA 1.661 58.033 56.400 -0.046 0.000 0.842 619 E CB -0.477 29.206 29.700 -0.028 0.000 0.816 619 E HN 0.666 nan 8.360 nan 0.000 0.465 620 T N -1.477 113.061 114.554 -0.026 0.000 3.004 620 T HA 0.228 4.582 4.350 0.006 0.000 0.243 620 T C 1.255 175.947 174.700 -0.013 0.000 1.020 620 T CA 0.947 63.035 62.100 -0.020 0.000 1.145 620 T CB -0.056 68.799 68.868 -0.022 0.000 0.876 620 T HN 0.318 nan 8.240 nan 0.000 0.449 621 G N 1.782 110.577 108.800 -0.009 0.000 2.587 621 G HA2 0.081 4.045 3.960 0.006 0.000 0.245 621 G HA3 0.081 4.045 3.960 0.006 0.000 0.245 621 G C -0.644 174.272 174.900 0.025 0.000 0.959 621 G CA 0.187 45.295 45.100 0.014 0.000 1.268 621 G HN 0.825 nan 8.290 nan 0.000 0.448 622 L N 0.704 121.921 121.223 -0.010 0.000 2.630 622 L HA 0.698 5.042 4.340 0.006 0.000 0.249 622 L C 1.056 177.795 176.870 -0.219 0.000 1.130 622 L CA -1.320 53.440 54.840 -0.133 0.000 0.987 622 L CB 0.093 42.020 42.059 -0.221 0.000 1.575 622 L HN 0.341 nan 8.230 nan 0.000 0.386 623 L N -0.536 120.300 121.223 -0.645 0.000 2.356 623 L HA 0.114 4.458 4.340 0.006 0.000 0.241 623 L C 0.520 177.226 176.870 -0.272 0.000 1.242 623 L CA 1.013 55.562 54.840 -0.485 0.000 0.820 623 L CB 0.577 42.288 42.059 -0.580 0.000 1.124 623 L HN 0.935 nan 8.230 nan 0.000 0.584 624 S N -2.073 113.442 115.700 -0.309 0.000 5.830 624 S HA 0.167 4.641 4.470 0.006 0.000 0.119 624 S C -1.341 173.209 174.600 -0.084 0.000 1.116 624 S CA -0.488 57.652 58.200 -0.100 0.000 1.371 624 S CB 0.478 63.749 63.200 0.118 0.000 2.079 624 S HN 0.629 nan 8.310 nan 0.000 0.649 625 D N 0.976 121.397 120.400 0.034 0.000 2.602 625 D HA 0.392 5.036 4.640 0.006 0.000 0.245 625 D C -1.027 175.563 176.300 0.483 0.000 1.325 625 D CA -0.212 53.848 54.000 0.100 0.000 0.952 625 D CB 1.448 42.229 40.800 -0.032 0.000 1.317 625 D HN 0.131 nan 8.370 nan 0.000 0.577 626 R N 3.183 123.889 120.500 0.344 0.000 2.248 626 R HA 0.426 4.769 4.340 0.006 0.000 0.328 626 R C -0.841 175.594 176.300 0.226 0.000 1.067 626 R CA 0.025 56.423 56.100 0.496 0.000 0.924 626 R CB 0.177 30.639 30.300 0.269 0.000 1.013 626 R HN 0.366 nan 8.270 nan 0.000 0.454 627 K N 4.338 124.842 120.400 0.173 0.000 2.535 627 K HA 0.064 4.387 4.320 0.006 0.000 0.310 627 K C -1.456 175.054 176.600 -0.150 0.000 1.178 627 K CA -0.562 55.719 56.287 -0.011 0.000 1.052 627 K CB 1.538 33.974 32.500 -0.105 0.000 1.364 627 K HN 0.456 nan 8.250 nan 0.000 0.475 628 K N 2.012 122.258 120.400 -0.257 0.000 2.118 628 K HA 0.554 4.878 4.320 0.006 0.000 0.264 628 K C -0.850 175.505 176.600 -0.409 0.000 1.000 628 K CA -0.511 55.370 56.287 -0.677 0.000 0.929 628 K CB 1.148 32.989 32.500 -1.098 0.000 1.021 628 K HN 0.280 nan 8.250 nan 0.000 0.463 629 V N 2.366 122.042 119.914 -0.397 0.000 2.612 629 V HA 0.122 4.246 4.120 0.006 0.000 0.301 629 V C -0.102 175.875 176.094 -0.194 0.000 1.059 629 V CA -0.946 61.194 62.300 -0.268 0.000 0.886 629 V CB 1.577 33.211 31.823 -0.314 0.000 1.007 629 V HN 0.970 nan 8.190 nan 0.000 0.426 630 T N 4.864 119.331 114.554 -0.145 0.000 2.898 630 T HA 0.642 4.995 4.350 0.006 0.000 0.301 630 T C 0.186 174.846 174.700 -0.066 0.000 1.049 630 T CA 0.500 62.540 62.100 -0.100 0.000 1.095 630 T CB 0.363 69.186 68.868 -0.075 0.000 0.976 630 T HN 0.548 nan 8.240 nan 0.000 0.539 631 L N 2.234 123.426 121.223 -0.052 0.000 3.147 631 L HA 0.458 4.802 4.340 0.006 0.000 0.188 631 L C 1.190 178.032 176.870 -0.045 0.000 1.446 631 L CA -0.728 54.089 54.840 -0.038 0.000 1.094 631 L CB -0.265 41.783 42.059 -0.018 0.000 1.795 631 L HN 0.677 nan 8.230 nan 0.000 0.559 632 G N 0.724 109.496 108.800 -0.047 0.000 2.394 632 G HA2 0.327 4.291 3.960 0.006 0.000 0.298 632 G HA3 0.327 4.291 3.960 0.006 0.000 0.298 632 G C 1.074 175.948 174.900 -0.043 0.000 1.087 632 G CA 0.550 45.621 45.100 -0.049 0.000 1.035 632 G HN 0.506 nan 8.290 nan 0.000 0.420 633 T N 0.360 114.891 114.554 -0.039 0.000 2.836 633 T HA -0.179 4.175 4.350 0.006 0.000 0.268 633 T C 0.896 175.578 174.700 -0.030 0.000 1.080 633 T CA 1.140 63.221 62.100 -0.032 0.000 1.128 633 T CB -0.160 68.691 68.868 -0.027 0.000 0.839 633 T HN 0.389 nan 8.240 nan 0.000 0.507 634 Q N 2.142 121.920 119.800 -0.036 0.000 2.256 634 Q HA 0.390 4.734 4.340 0.006 0.000 0.257 634 Q C -2.624 173.353 176.000 -0.039 0.000 0.936 634 Q CA -3.033 52.749 55.803 -0.035 0.000 0.903 634 Q CB 1.267 29.979 28.738 -0.043 0.000 1.263 634 Q HN 0.230 nan 8.270 nan 0.000 0.440 635 P HA -0.168 nan 4.420 nan 0.000 0.265 635 P C -0.549 176.732 177.300 -0.032 0.000 1.151 635 P CA 0.755 63.840 63.100 -0.025 0.000 0.755 635 P CB 0.164 31.856 31.700 -0.013 0.000 0.756 636 T N 2.985 117.527 114.554 -0.019 0.000 2.767 636 T HA 0.318 4.672 4.350 0.006 0.000 0.288 636 T C 0.311 175.016 174.700 0.008 0.000 0.963 636 T CA -0.474 61.617 62.100 -0.016 0.000 1.019 636 T CB 0.631 69.493 68.868 -0.009 0.000 0.923 636 T HN 0.064 nan 8.240 nan 0.000 0.468 637 V N 5.334 125.250 119.914 0.002 0.000 2.509 637 V HA 0.436 4.560 4.120 0.006 0.000 0.284 637 V C -0.052 176.090 176.094 0.079 0.000 1.047 637 V CA -0.758 61.571 62.300 0.048 0.000 0.952 637 V CB 1.019 32.859 31.823 0.029 0.000 0.988 637 V HN 0.685 nan 8.190 nan 0.000 0.469 638 L N 5.214 126.496 121.223 0.099 0.000 2.329 638 L HA 0.814 5.158 4.340 0.006 0.000 0.279 638 L C -0.096 176.851 176.870 0.128 0.000 1.014 638 L CA -0.427 54.483 54.840 0.117 0.000 0.814 638 L CB 1.664 43.779 42.059 0.094 0.000 1.257 638 L HN 0.595 nan 8.230 nan 0.000 0.424 639 R N 0.583 121.180 120.500 0.161 0.000 3.003 639 R HA 0.786 5.129 4.340 0.006 0.000 0.251 639 R C -1.398 175.003 176.300 0.169 0.000 1.265 639 R CA -0.494 55.683 56.100 0.130 0.000 1.026 639 R CB 2.154 32.489 30.300 0.059 0.000 1.307 639 R HN 0.563 nan 8.270 nan 0.000 0.475 640 T N 1.190 115.821 114.554 0.128 0.000 3.032 640 T HA 0.595 4.949 4.350 0.006 0.000 0.312 640 T C -1.599 173.141 174.700 0.067 0.000 1.078 640 T CA -0.437 61.697 62.100 0.057 0.000 1.028 640 T CB 0.438 69.266 68.868 -0.067 0.000 1.091 640 T HN 0.386 nan 8.240 nan 0.000 0.457 641 F N 0.569 120.502 119.950 -0.029 0.000 2.631 641 F HA 0.856 5.387 4.527 0.006 0.000 0.328 641 F C -0.260 175.524 175.800 -0.027 0.000 1.067 641 F CA -1.746 56.231 58.000 -0.038 0.000 0.969 641 F CB 1.163 40.149 39.000 -0.023 0.000 1.332 641 F HN 0.431 nan 8.300 nan 0.000 0.490 642 R N 0.910 121.517 120.500 0.179 0.000 2.265 642 R HA 0.548 4.892 4.340 0.006 0.000 0.314 642 R C -0.213 176.218 176.300 0.218 0.000 1.053 642 R CA 0.649 56.810 56.100 0.102 0.000 0.931 642 R CB 1.091 31.450 30.300 0.097 0.000 1.024 642 R HN 1.037 nan 8.270 nan 0.000 0.457 643 S N 4.391 120.148 115.700 0.096 0.000 4.098 643 S HA 0.185 4.659 4.470 0.006 0.000 0.193 643 S C 0.850 175.502 174.600 0.087 0.000 1.049 643 S CA 0.104 58.395 58.200 0.152 0.000 1.034 643 S CB -0.359 62.936 63.200 0.158 0.000 1.380 643 S HN 0.613 nan 8.310 nan 0.000 0.629 644 L N -0.630 120.613 121.223 0.035 0.000 3.731 644 L HA 0.619 4.962 4.340 0.006 0.000 0.195 644 L C 1.651 178.521 176.870 -0.000 0.000 1.236 644 L CA 0.251 55.110 54.840 0.032 0.000 0.985 644 L CB 0.041 42.132 42.059 0.053 0.000 1.729 644 L HN 0.491 nan 8.230 nan 0.000 0.652 645 S N -0.501 115.191 115.700 -0.014 0.000 3.148 645 S HA 0.002 4.476 4.470 0.006 0.000 0.246 645 S C 1.670 176.225 174.600 -0.075 0.000 1.041 645 S CA 0.759 58.940 58.200 -0.032 0.000 0.813 645 S CB -0.598 62.596 63.200 -0.010 0.000 0.813 645 S HN 0.634 nan 8.310 nan 0.000 0.546 646 T N 2.571 117.084 114.554 -0.069 0.000 3.228 646 T HA 0.094 4.448 4.350 0.006 0.000 0.261 646 T C 0.821 175.415 174.700 -0.177 0.000 1.171 646 T CA 0.678 62.723 62.100 -0.092 0.000 1.056 646 T CB -2.050 66.765 68.868 -0.087 0.000 0.938 646 T HN 0.845 nan 8.240 nan 0.000 0.539 647 T N 1.909 116.324 114.554 -0.231 0.000 2.326 647 T HA -0.161 4.193 4.350 0.006 0.000 0.179 647 T C -0.038 174.319 174.700 -0.572 0.000 1.021 647 T CA 0.224 62.086 62.100 -0.397 0.000 1.223 647 T CB -0.380 68.282 68.868 -0.343 0.000 0.968 647 T HN 0.615 nan 8.240 nan 0.000 0.417 648 N N 1.476 119.705 118.700 -0.785 0.000 3.002 648 N HA 0.587 5.331 4.740 0.006 0.000 0.331 648 N C -0.944 174.324 175.510 -0.403 0.000 1.384 648 N CA -0.878 51.912 53.050 -0.433 0.000 0.780 648 N CB 1.738 40.183 38.487 -0.070 0.000 1.492 648 N HN 0.484 nan 8.380 nan 0.000 0.608 649 V N 1.336 121.297 119.914 0.079 0.000 2.398 649 V HA 0.326 4.450 4.120 0.006 0.000 0.286 649 V C -0.738 175.563 176.094 0.347 0.000 1.026 649 V CA -0.655 61.759 62.300 0.191 0.000 0.868 649 V CB 0.757 32.651 31.823 0.119 0.000 0.982 649 V HN 0.485 nan 8.190 nan 0.000 0.443 650 F N 4.252 124.371 119.950 0.282 0.000 2.410 650 F HA 0.691 5.222 4.527 0.006 0.000 0.349 650 F C 0.540 176.341 175.800 0.002 0.000 1.117 650 F CA -0.495 57.570 58.000 0.108 0.000 1.104 650 F CB 0.922 39.934 39.000 0.019 0.000 1.122 650 F HN 0.552 nan 8.300 nan 0.000 0.483 651 A N 6.155 128.827 122.820 -0.246 0.000 2.260 651 A HA 0.487 4.811 4.320 0.006 0.000 0.312 651 A C -0.847 176.685 177.584 -0.087 0.000 1.321 651 A CA -0.503 51.463 52.037 -0.118 0.000 0.928 651 A CB -0.372 18.520 19.000 -0.180 0.000 1.158 651 A HN 0.846 nan 8.150 nan 0.000 0.542 652 C N 2.952 122.338 119.300 0.142 0.000 2.347 652 C HA 0.792 5.255 4.460 0.006 0.000 0.353 652 C C 0.743 175.717 174.990 -0.027 0.000 1.273 652 C CA -0.232 58.863 59.018 0.128 0.000 1.861 652 C CB -0.709 27.056 27.740 0.042 0.000 2.420 652 C HN 0.943 nan 8.230 nan 0.000 0.542 653 S N 1.041 116.712 115.700 -0.049 0.000 2.703 653 S HA 0.294 4.768 4.470 0.006 0.000 0.273 653 S C 0.545 175.104 174.600 -0.068 0.000 1.178 653 S CA -0.575 57.583 58.200 -0.070 0.000 0.838 653 S CB 0.714 63.876 63.200 -0.064 0.000 1.178 653 S HN 0.799 nan 8.310 nan 0.000 0.494 654 D N 0.738 121.100 120.400 -0.063 0.000 2.149 654 D HA -0.204 4.440 4.640 0.006 0.000 0.198 654 D C 0.557 176.823 176.300 -0.057 0.000 0.990 654 D CA 0.998 54.965 54.000 -0.055 0.000 0.839 654 D CB 0.051 40.823 40.800 -0.046 0.000 0.948 654 D HN 0.282 nan 8.370 nan 0.000 0.460 655 R N 1.737 122.199 120.500 -0.063 0.000 2.937 655 R HA 0.238 4.581 4.340 0.006 0.000 0.264 655 R C -2.483 173.755 176.300 -0.104 0.000 1.334 655 R CA -1.720 54.336 56.100 -0.074 0.000 1.516 655 R CB 1.051 31.312 30.300 -0.065 0.000 1.187 655 R HN 0.102 nan 8.270 nan 0.000 0.609 656 P HA 0.033 nan 4.420 nan 0.000 0.265 656 P C -0.799 176.314 177.300 -0.311 0.000 1.193 656 P CA 0.236 63.212 63.100 -0.207 0.000 0.765 656 P CB 1.183 32.803 31.700 -0.133 0.000 0.823 657 T N 1.845 116.126 114.554 -0.454 0.000 2.900 657 T HA 0.401 4.755 4.350 0.006 0.000 0.295 657 T C -0.126 174.220 174.700 -0.590 0.000 1.044 657 T CA -0.492 61.374 62.100 -0.390 0.000 0.995 657 T CB 1.464 70.198 68.868 -0.223 0.000 1.072 657 T HN 0.045 nan 8.240 nan 0.000 0.473 658 V N 2.316 121.975 119.914 -0.425 0.000 2.834 658 V HA 0.583 4.707 4.120 0.006 0.000 0.313 658 V C -0.504 175.403 176.094 -0.311 0.000 1.060 658 V CA -0.784 61.325 62.300 -0.319 0.000 0.989 658 V CB 1.778 33.516 31.823 -0.143 0.000 1.041 658 V HN 0.756 nan 8.190 nan 0.000 0.459 659 I N 2.551 122.954 120.570 -0.279 0.000 2.437 659 I HA 0.315 4.488 4.170 0.006 0.000 0.279 659 I C -0.193 175.798 176.117 -0.210 0.000 1.028 659 I CA -0.056 60.950 61.300 -0.491 0.000 1.142 659 I CB 0.937 38.572 38.000 -0.608 0.000 1.266 659 I HN 0.657 nan 8.210 nan 0.000 0.461 660 Y N 5.440 125.587 120.300 -0.255 0.000 3.081 660 Y HA 0.374 4.928 4.550 0.006 0.000 0.520 660 Y C 0.332 176.066 175.900 -0.275 0.000 1.414 660 Y CA 0.066 58.079 58.100 -0.144 0.000 2.180 660 Y CB 0.538 38.958 38.460 -0.067 0.000 1.747 660 Y HN 0.430 nan 8.280 nan 0.000 0.671 661 S N 0.225 115.478 115.700 -0.744 0.000 2.666 661 S HA 0.168 4.642 4.470 0.006 0.000 0.165 661 S C -0.356 173.996 174.600 -0.414 0.000 0.865 661 S CA -0.228 57.551 58.200 -0.701 0.000 1.038 661 S CB 0.248 63.029 63.200 -0.697 0.000 1.507 661 S HN 0.766 nan 8.310 nan 0.000 0.422 662 S N 2.425 118.218 115.700 0.154 0.000 2.330 662 S HA -0.048 4.426 4.470 0.006 0.000 0.204 662 S C 0.928 175.646 174.600 0.197 0.000 1.444 662 S CA 1.160 59.554 58.200 0.322 0.000 1.682 662 S CB -0.314 63.021 63.200 0.225 0.000 0.487 662 S HN 0.792 nan 8.310 nan 0.000 0.381 663 N N 0.765 119.567 118.700 0.170 0.000 3.210 663 N HA 0.092 4.835 4.740 0.006 0.000 0.314 663 N C 0.340 175.973 175.510 0.206 0.000 1.291 663 N CA 0.509 53.655 53.050 0.161 0.000 1.202 663 N CB -0.832 37.727 38.487 0.120 0.000 1.475 663 N HN 0.738 nan 8.380 nan 0.000 0.554 664 H N -1.521 117.586 119.070 0.063 0.000 2.992 664 H HA -0.188 4.372 4.556 0.006 0.000 0.266 664 H C -0.574 174.804 175.328 0.084 0.000 1.200 664 H CA 1.011 57.095 56.048 0.061 0.000 1.135 664 H CB -0.632 29.170 29.762 0.067 0.000 1.282 664 H HN 0.530 nan 8.280 nan 0.000 0.351 665 K N 0.080 120.513 120.400 0.056 0.000 2.651 665 K HA 0.656 4.980 4.320 0.006 0.000 0.283 665 K C 0.306 176.834 176.600 -0.121 0.000 1.018 665 K CA -0.756 55.561 56.287 0.050 0.000 1.127 665 K CB 1.022 33.602 32.500 0.132 0.000 1.501 665 K HN 0.068 nan 8.250 nan 0.000 0.608 666 L N 1.627 122.821 121.223 -0.049 0.000 2.439 666 L HA 0.317 4.661 4.340 0.006 0.000 0.270 666 L C -0.434 176.497 176.870 0.101 0.000 0.972 666 L CA -0.908 53.811 54.840 -0.202 0.000 0.836 666 L CB 1.972 43.767 42.059 -0.440 0.000 1.255 666 L HN 0.245 nan 8.230 nan 0.000 0.404 667 V N 2.520 122.495 119.914 0.102 0.000 3.133 667 V HA 0.209 4.332 4.120 0.006 0.000 0.305 667 V C -0.344 175.779 176.094 0.048 0.000 1.084 667 V CA 0.348 62.767 62.300 0.200 0.000 1.089 667 V CB 1.327 33.281 31.823 0.220 0.000 1.073 667 V HN 0.494 nan 8.190 nan 0.000 0.477 668 F N 0.620 120.561 119.950 -0.016 0.000 2.566 668 F HA 0.320 4.851 4.527 0.006 0.000 0.347 668 F C 0.547 176.307 175.800 -0.067 0.000 1.515 668 F CA -0.222 57.750 58.000 -0.047 0.000 1.103 668 F CB 0.851 39.824 39.000 -0.044 0.000 1.385 668 F HN 0.328 nan 8.300 nan 0.000 0.560 669 S N 0.753 116.450 115.700 -0.005 0.000 2.537 669 S HA 0.252 4.726 4.470 0.006 0.000 0.275 669 S C 0.286 174.830 174.600 -0.092 0.000 1.272 669 S CA -0.719 57.457 58.200 -0.040 0.000 1.050 669 S CB 0.513 63.676 63.200 -0.061 0.000 0.961 669 S HN 0.248 nan 8.310 nan 0.000 0.496 670 N N 1.300 119.951 118.700 -0.082 0.000 2.374 670 N HA 0.103 4.847 4.740 0.006 0.000 0.241 670 N C -0.572 174.857 175.510 -0.136 0.000 1.262 670 N CA 0.116 53.100 53.050 -0.110 0.000 0.880 670 N CB 0.349 38.785 38.487 -0.085 0.000 1.105 670 N HN 0.277 nan 8.380 nan 0.000 0.438 671 V N 2.221 122.036 119.914 -0.165 0.000 2.513 671 V HA 0.177 4.301 4.120 0.006 0.000 0.299 671 V C 0.361 176.389 176.094 -0.111 0.000 1.035 671 V CA -0.871 61.333 62.300 -0.159 0.000 0.889 671 V CB 1.519 33.209 31.823 -0.221 0.000 0.988 671 V HN 0.521 nan 8.190 nan 0.000 0.440 672 N N 5.233 123.874 118.700 -0.098 0.000 3.111 672 N HA 0.266 5.010 4.740 0.006 0.000 0.302 672 N C -0.594 174.874 175.510 -0.069 0.000 1.317 672 N CA 0.277 53.281 53.050 -0.078 0.000 1.151 672 N CB -0.143 38.298 38.487 -0.076 0.000 1.456 672 N HN 0.495 nan 8.380 nan 0.000 0.547 673 L N -0.327 120.859 121.223 -0.061 0.000 2.301 673 L HA 0.336 4.679 4.340 0.006 0.000 0.264 673 L C 1.631 178.475 176.870 -0.043 0.000 1.016 673 L CA -0.762 54.050 54.840 -0.048 0.000 0.821 673 L CB 2.160 44.198 42.059 -0.034 0.000 1.346 673 L HN -0.030 nan 8.230 nan 0.000 0.429 674 K N 0.291 120.668 120.400 -0.039 0.000 2.001 674 K HA -0.026 4.298 4.320 0.006 0.000 0.208 674 K C 0.219 176.795 176.600 -0.039 0.000 1.048 674 K CA 1.465 57.731 56.287 -0.036 0.000 0.932 674 K CB 0.375 32.856 32.500 -0.032 0.000 0.715 674 K HN 0.613 nan 8.250 nan 0.000 0.437 675 E N -0.795 119.380 120.200 -0.042 0.000 2.388 675 E HA 0.213 4.567 4.350 0.006 0.000 0.281 675 E C -1.983 174.589 176.600 -0.048 0.000 1.046 675 E CA -0.671 55.700 56.400 -0.047 0.000 0.825 675 E CB 2.085 31.752 29.700 -0.054 0.000 1.243 675 E HN -0.097 nan 8.360 nan 0.000 0.438 676 V N 3.259 123.148 119.914 -0.042 0.000 2.656 676 V HA 0.345 4.469 4.120 0.006 0.000 0.307 676 V C 0.126 176.127 176.094 -0.156 0.000 1.051 676 V CA -0.790 61.474 62.300 -0.061 0.000 0.893 676 V CB 1.715 33.576 31.823 0.064 0.000 0.999 676 V HN 0.683 nan 8.190 nan 0.000 0.426 677 N N 1.663 120.193 118.700 -0.283 0.000 2.414 677 N HA 0.203 4.947 4.740 0.006 0.000 0.189 677 N C -0.467 174.406 175.510 -1.061 0.000 1.039 677 N CA 1.156 53.822 53.050 -0.641 0.000 0.889 677 N CB 0.157 38.314 38.487 -0.551 0.000 1.085 677 N HN 0.705 nan 8.380 nan 0.000 0.442 678 Y N -1.029 119.171 120.300 -0.165 0.000 2.644 678 Y HA 0.641 5.195 4.550 0.006 0.000 0.338 678 Y C -0.144 175.558 175.900 -0.330 0.000 1.119 678 Y CA -1.173 56.787 58.100 -0.234 0.000 1.060 678 Y CB 1.758 40.042 38.460 -0.294 0.000 1.294 678 Y HN -0.204 nan 8.280 nan 0.000 0.472 679 M N 2.755 122.206 119.600 -0.248 0.000 2.389 679 M HA 0.643 5.126 4.480 0.006 0.000 0.291 679 M C -2.188 173.891 176.300 -0.368 0.000 1.128 679 M CA -0.613 54.417 55.300 -0.450 0.000 0.942 679 M CB 1.353 33.405 32.600 -0.913 0.000 1.783 679 M HN 1.026 nan 8.290 nan 0.000 0.501 680 C N 2.307 121.403 119.300 -0.339 0.000 3.239 680 C HA 0.938 5.401 4.460 0.006 0.000 0.317 680 C C -2.850 172.020 174.990 -0.200 0.000 1.310 680 C CA -1.250 57.619 59.018 -0.248 0.000 1.371 680 C CB 1.598 29.171 27.740 -0.278 0.000 1.714 680 C HN 0.719 nan 8.230 nan 0.000 0.473 681 P HA 0.598 nan 4.420 nan 0.000 0.280 681 P C -0.733 176.463 177.300 -0.173 0.000 1.278 681 P CA -0.020 63.028 63.100 -0.086 0.000 0.787 681 P CB 0.331 32.007 31.700 -0.040 0.000 1.163 682 L N -1.405 119.748 121.223 -0.117 0.000 3.170 682 L HA 0.460 4.804 4.340 0.006 0.000 0.286 682 L C -0.888 176.062 176.870 0.133 0.000 1.006 682 L CA -0.089 54.694 54.840 -0.096 0.000 0.993 682 L CB 1.490 43.523 42.059 -0.044 0.000 1.549 682 L HN 0.373 nan 8.230 nan 0.000 0.387 683 N N -0.533 118.348 118.700 0.302 0.000 2.240 683 N HA 0.053 4.797 4.740 0.006 0.000 0.219 683 N C -1.008 174.654 175.510 0.254 0.000 1.407 683 N CA 0.614 53.846 53.050 0.304 0.000 1.137 683 N CB 0.278 38.964 38.487 0.333 0.000 1.202 683 N HN 0.546 nan 8.380 nan 0.000 0.581 684 S N 0.702 116.569 115.700 0.277 0.000 2.553 684 S HA -0.099 4.375 4.470 0.006 0.000 0.293 684 S C 0.176 174.850 174.600 0.123 0.000 1.296 684 S CA 0.492 58.817 58.200 0.209 0.000 1.046 684 S CB 0.182 63.544 63.200 0.270 0.000 0.810 684 S HN 0.345 nan 8.310 nan 0.000 0.505 685 D N 2.039 122.478 120.400 0.066 0.000 2.745 685 D HA 0.332 4.976 4.640 0.006 0.000 0.229 685 D C 0.848 177.137 176.300 -0.019 0.000 1.088 685 D CA 0.360 54.370 54.000 0.017 0.000 1.054 685 D CB -0.740 40.061 40.800 0.001 0.000 1.132 685 D HN 0.683 nan 8.370 nan 0.000 0.464 686 G N -0.291 108.480 108.800 -0.048 0.000 3.987 686 G HA2 -0.117 3.846 3.960 0.006 0.000 0.220 686 G HA3 -0.117 3.846 3.960 0.006 0.000 0.220 686 G C -0.441 174.171 174.900 -0.480 0.000 0.871 686 G CA -0.666 44.303 45.100 -0.220 0.000 0.881 686 G HN 0.219 nan 8.290 nan 0.000 0.674 687 Y N 0.942 121.280 120.300 0.062 0.000 2.640 687 Y HA 0.383 4.937 4.550 0.006 0.000 0.295 687 Y C -2.539 173.426 175.900 0.108 0.000 1.023 687 Y CA -1.917 56.244 58.100 0.103 0.000 1.163 687 Y CB 1.266 39.791 38.460 0.109 0.000 1.145 687 Y HN 0.021 nan 8.280 nan 0.000 0.609 688 P HA -0.092 nan 4.420 nan 0.000 0.272 688 P C 0.089 177.495 177.300 0.177 0.000 1.243 688 P CA 0.141 63.334 63.100 0.156 0.000 0.803 688 P CB 0.607 32.368 31.700 0.101 0.000 0.974 689 D N 0.218 120.706 120.400 0.148 0.000 7.447 689 D HA -0.105 4.538 4.640 0.006 0.000 0.144 689 D C -0.660 175.718 176.300 0.130 0.000 1.224 689 D CA 1.214 55.294 54.000 0.133 0.000 0.817 689 D CB -0.509 40.364 40.800 0.121 0.000 1.592 689 D HN 0.344 nan 8.370 nan 0.000 0.920 690 S N 3.096 118.854 115.700 0.096 0.000 2.565 690 S HA 0.655 5.128 4.470 0.006 0.000 0.269 690 S C -1.125 173.459 174.600 -0.026 0.000 1.153 690 S CA -1.135 57.092 58.200 0.046 0.000 0.835 690 S CB 0.977 64.235 63.200 0.097 0.000 1.122 690 S HN 0.326 nan 8.310 nan 0.000 0.462 691 L N 2.058 123.216 121.223 -0.108 0.000 2.325 691 L HA 0.823 5.167 4.340 0.006 0.000 0.281 691 L C 0.321 177.051 176.870 -0.234 0.000 1.004 691 L CA -1.129 53.604 54.840 -0.179 0.000 0.823 691 L CB 1.503 43.405 42.059 -0.263 0.000 1.236 691 L HN 0.922 nan 8.230 nan 0.000 0.415 692 A N 4.081 126.758 122.820 -0.238 0.000 2.363 692 A HA 0.728 5.052 4.320 0.006 0.000 0.270 692 A C -0.552 176.856 177.584 -0.293 0.000 1.121 692 A CA -0.244 51.642 52.037 -0.252 0.000 0.800 692 A CB 0.466 19.328 19.000 -0.230 0.000 1.052 692 A HN 0.534 nan 8.150 nan 0.000 0.493 693 L N 1.274 122.336 121.223 -0.269 0.000 2.346 693 L HA 0.784 5.128 4.340 0.006 0.000 0.274 693 L C 0.316 177.071 176.870 -0.192 0.000 1.007 693 L CA -0.094 54.583 54.840 -0.272 0.000 0.818 693 L CB 1.741 43.641 42.059 -0.266 0.000 1.284 693 L HN 0.816 nan 8.230 nan 0.000 0.424 694 A N 2.396 125.117 122.820 -0.165 0.000 2.398 694 A HA 0.797 5.121 4.320 0.006 0.000 0.301 694 A C -0.773 176.752 177.584 -0.098 0.000 1.041 694 A CA -0.636 51.334 52.037 -0.112 0.000 0.711 694 A CB 1.215 20.164 19.000 -0.085 0.000 1.240 694 A HN 0.767 nan 8.150 nan 0.000 0.420 695 N N 1.629 120.279 118.700 -0.084 0.000 3.061 695 N HA 0.168 4.911 4.740 0.006 0.000 0.346 695 N C 0.669 176.145 175.510 -0.056 0.000 1.392 695 N CA -0.613 52.389 53.050 -0.079 0.000 0.762 695 N CB 0.082 38.529 38.487 -0.068 0.000 1.367 695 N HN 0.479 nan 8.380 nan 0.000 0.607 696 N N 0.048 118.720 118.700 -0.045 0.000 2.103 696 N HA -0.223 4.521 4.740 0.006 0.000 0.200 696 N C -0.328 175.167 175.510 -0.024 0.000 1.016 696 N CA 2.371 55.406 53.050 -0.026 0.000 0.890 696 N CB -0.337 38.139 38.487 -0.018 0.000 1.075 696 N HN 0.737 nan 8.380 nan 0.000 0.506 697 S N -1.168 114.518 115.700 -0.024 0.000 2.673 697 S HA 0.567 5.041 4.470 0.006 0.000 0.256 697 S C -0.987 173.598 174.600 -0.024 0.000 1.141 697 S CA -0.663 57.525 58.200 -0.020 0.000 1.109 697 S CB 1.696 64.898 63.200 0.003 0.000 1.101 697 S HN 0.180 nan 8.310 nan 0.000 0.471 698 T N 3.083 117.613 114.554 -0.040 0.000 3.516 698 T HA 0.144 4.497 4.350 0.006 0.000 0.444 698 T C -1.437 173.222 174.700 -0.067 0.000 1.383 698 T CA -0.735 61.340 62.100 -0.042 0.000 1.060 698 T CB 0.555 69.402 68.868 -0.035 0.000 1.463 698 T HN 0.837 nan 8.240 nan 0.000 0.437 699 L N 4.117 125.298 121.223 -0.070 0.000 2.375 699 L HA 0.899 5.242 4.340 0.006 0.000 0.271 699 L C 0.052 176.855 176.870 -0.112 0.000 1.107 699 L CA 0.670 55.449 54.840 -0.101 0.000 0.806 699 L CB 1.151 43.150 42.059 -0.101 0.000 1.146 699 L HN 0.870 nan 8.230 nan 0.000 0.447 700 T N 4.150 118.614 114.554 -0.150 0.000 2.889 700 T HA 0.716 5.069 4.350 0.006 0.000 0.315 700 T C -0.987 173.585 174.700 -0.213 0.000 1.291 700 T CA -0.621 61.381 62.100 -0.162 0.000 1.028 700 T CB 1.648 70.436 68.868 -0.133 0.000 1.235 700 T HN 0.694 nan 8.240 nan 0.000 0.491 701 I N -1.657 118.773 120.570 -0.233 0.000 2.680 701 I HA 0.926 5.100 4.170 0.006 0.000 0.291 701 I C -0.339 175.591 176.117 -0.311 0.000 1.244 701 I CA -0.730 60.418 61.300 -0.254 0.000 1.042 701 I CB 1.193 38.988 38.000 -0.342 0.000 1.277 701 I HN 1.209 nan 8.210 nan 0.000 0.423 702 G N 3.384 112.027 108.800 -0.262 0.000 2.441 702 G HA2 0.592 4.556 3.960 0.006 0.000 0.294 702 G HA3 0.592 4.556 3.960 0.006 0.000 0.294 702 G C -0.913 173.930 174.900 -0.095 0.000 1.393 702 G CA 0.053 44.955 45.100 -0.329 0.000 0.796 702 G HN 1.033 nan 8.290 nan 0.000 0.494 703 T N -1.681 112.884 114.554 0.019 0.000 2.862 703 T HA 0.746 5.100 4.350 0.006 0.000 0.276 703 T C -0.132 174.564 174.700 -0.006 0.000 0.974 703 T CA -0.649 61.497 62.100 0.077 0.000 0.966 703 T CB 1.346 70.326 68.868 0.187 0.000 1.072 703 T HN 0.492 nan 8.240 nan 0.000 0.538 704 I N 1.894 122.471 120.570 0.011 0.000 2.498 704 I HA 0.361 4.534 4.170 0.006 0.000 0.290 704 I C 0.093 176.210 176.117 0.001 0.000 1.032 704 I CA -0.781 60.492 61.300 -0.046 0.000 1.073 704 I CB 1.513 39.472 38.000 -0.067 0.000 1.251 704 I HN 0.735 nan 8.210 nan 0.000 0.426 705 D N 3.422 123.782 120.400 -0.067 0.000 1.913 705 D HA -0.091 4.553 4.640 0.006 0.000 0.245 705 D C 1.068 177.368 176.300 0.001 0.000 1.191 705 D CA 0.324 54.279 54.000 -0.075 0.000 0.941 705 D CB 0.619 41.278 40.800 -0.234 0.000 1.388 705 D HN 0.609 nan 8.370 nan 0.000 0.523 706 E N -0.930 119.268 120.200 -0.002 0.000 2.086 706 E HA 0.152 4.505 4.350 0.006 0.000 0.223 706 E C 0.977 177.622 176.600 0.075 0.000 0.881 706 E CA 0.753 57.196 56.400 0.071 0.000 1.137 706 E CB 0.012 29.768 29.700 0.093 0.000 0.985 706 E HN 0.402 nan 8.360 nan 0.000 0.559 707 I N -1.658 118.909 120.570 -0.005 0.000 2.216 707 I HA -0.006 4.168 4.170 0.006 0.000 0.293 707 I C -1.129 174.863 176.117 -0.207 0.000 0.794 707 I CA 0.527 61.776 61.300 -0.085 0.000 2.463 707 I CB -0.708 37.239 38.000 -0.088 0.000 1.863 707 I HN 0.502 nan 8.210 nan 0.000 0.434 708 Q N 4.143 123.694 119.800 -0.415 0.000 3.456 708 Q HA -0.309 4.034 4.340 0.006 0.000 0.333 708 Q C 0.915 176.833 176.000 -0.137 0.000 1.468 708 Q CA 1.362 56.985 55.803 -0.300 0.000 0.845 708 Q CB -0.367 28.256 28.738 -0.191 0.000 1.207 708 Q HN 0.572 nan 8.270 nan 0.000 0.540 709 K N 2.646 122.982 120.400 -0.106 0.000 2.163 709 K HA -0.262 4.061 4.320 0.006 0.000 0.222 709 K C 0.105 176.687 176.600 -0.031 0.000 0.990 709 K CA 2.240 58.498 56.287 -0.049 0.000 0.959 709 K CB -0.166 32.324 32.500 -0.017 0.000 0.882 709 K HN 0.692 nan 8.250 nan 0.000 0.472 710 L N 0.036 121.248 121.223 -0.018 0.000 2.334 710 L HA 0.297 4.640 4.340 0.006 0.000 0.275 710 L C -0.021 176.871 176.870 0.037 0.000 1.036 710 L CA -1.038 53.806 54.840 0.006 0.000 0.807 710 L CB 1.387 43.442 42.059 -0.007 0.000 1.231 710 L HN 0.279 nan 8.230 nan 0.000 0.438 711 H N 2.580 121.621 119.070 -0.049 0.000 2.529 711 H HA 0.671 5.231 4.556 0.006 0.000 0.348 711 H C -1.183 174.114 175.328 -0.051 0.000 1.152 711 H CA -0.544 55.477 56.048 -0.046 0.000 1.202 711 H CB 1.455 31.196 29.762 -0.035 0.000 1.562 711 H HN 0.410 nan 8.280 nan 0.000 0.515 712 I N 4.893 125.018 120.570 -0.741 0.000 2.468 712 I HA 0.310 4.484 4.170 0.006 0.000 0.285 712 I C -0.424 175.312 176.117 -0.635 0.000 1.039 712 I CA -0.749 60.219 61.300 -0.552 0.000 1.074 712 I CB 1.733 39.555 38.000 -0.297 0.000 1.228 712 I HN 0.467 nan 8.210 nan 0.000 0.436 713 R N 4.136 124.362 120.500 -0.457 0.000 2.407 713 R HA 0.628 4.972 4.340 0.006 0.000 0.303 713 R C -1.065 175.072 176.300 -0.272 0.000 0.981 713 R CA -0.154 55.768 56.100 -0.297 0.000 0.905 713 R CB 1.544 31.729 30.300 -0.193 0.000 1.099 713 R HN 0.587 nan 8.270 nan 0.000 0.459 714 T N 3.833 118.261 114.554 -0.210 0.000 2.864 714 T HA 0.195 4.548 4.350 0.006 0.000 0.299 714 T C -0.622 173.976 174.700 -0.171 0.000 1.011 714 T CA -0.549 61.430 62.100 -0.202 0.000 0.975 714 T CB 1.441 70.213 68.868 -0.159 0.000 0.962 714 T HN 0.297 nan 8.240 nan 0.000 0.448 715 V N 6.600 126.391 119.914 -0.204 0.000 2.352 715 V HA 0.219 4.343 4.120 0.006 0.000 0.253 715 V C -2.113 173.898 176.094 -0.139 0.000 1.083 715 V CA -1.872 60.356 62.300 -0.119 0.000 0.993 715 V CB -0.112 31.666 31.823 -0.076 0.000 1.111 715 V HN 0.626 nan 8.190 nan 0.000 0.490 716 P HA 0.165 nan 4.420 nan 0.000 0.267 716 P C 0.575 177.640 177.300 -0.393 0.000 1.209 716 P CA 0.207 63.099 63.100 -0.347 0.000 0.763 716 P CB 0.767 32.250 31.700 -0.361 0.000 0.816 717 L N 2.511 123.471 121.223 -0.438 0.000 2.515 717 L HA 0.057 4.401 4.340 0.006 0.000 0.223 717 L C 0.672 177.457 176.870 -0.142 0.000 1.079 717 L CA 0.228 54.947 54.840 -0.202 0.000 0.857 717 L CB -0.436 41.542 42.059 -0.134 0.000 1.050 717 L HN 0.386 nan 8.230 nan 0.000 0.476 718 Y N -0.474 119.810 120.300 -0.026 0.000 4.535 718 Y HA -0.388 4.166 4.550 0.006 0.000 0.301 718 Y C 1.023 176.917 175.900 -0.010 0.000 1.046 718 Y CA 1.268 59.360 58.100 -0.014 0.000 1.970 718 Y CB -1.577 36.876 38.460 -0.012 0.000 1.093 718 Y HN 0.499 nan 8.280 nan 0.000 0.460 719 E N 0.782 120.998 120.200 0.027 0.000 2.447 719 E HA 0.715 5.069 4.350 0.006 0.000 0.251 719 E C -0.464 176.084 176.600 -0.087 0.000 0.910 719 E CA -0.533 55.864 56.400 -0.005 0.000 0.841 719 E CB 1.785 31.477 29.700 -0.013 0.000 1.403 719 E HN 0.072 nan 8.360 nan 0.000 0.400 720 S N 0.621 116.243 115.700 -0.131 0.000 2.498 720 S HA 0.467 4.940 4.470 0.006 0.000 0.324 720 S C -2.470 172.008 174.600 -0.203 0.000 1.071 720 S CA -1.488 56.586 58.200 -0.210 0.000 1.113 720 S CB 0.921 63.919 63.200 -0.335 0.000 0.976 720 S HN 0.325 nan 8.310 nan 0.000 0.462 721 P HA 0.453 nan 4.420 nan 0.000 0.276 721 P C 0.025 177.240 177.300 -0.142 0.000 1.244 721 P CA -0.670 62.341 63.100 -0.148 0.000 0.801 721 P CB 0.979 32.599 31.700 -0.133 0.000 1.006 722 R N 0.068 120.503 120.500 -0.108 0.000 2.437 722 R HA 0.314 4.658 4.340 0.006 0.000 0.184 722 R C 0.474 176.753 176.300 -0.035 0.000 0.850 722 R CA 0.640 56.698 56.100 -0.070 0.000 1.073 722 R CB 0.036 30.307 30.300 -0.048 0.000 1.336 722 R HN 0.417 nan 8.270 nan 0.000 0.640 723 K N 0.544 120.923 120.400 -0.035 0.000 2.439 723 K HA 0.561 4.884 4.320 0.006 0.000 0.260 723 K C -1.037 175.543 176.600 -0.034 0.000 1.032 723 K CA -0.768 55.511 56.287 -0.014 0.000 0.882 723 K CB 2.602 35.111 32.500 0.014 0.000 1.420 723 K HN 0.010 nan 8.250 nan 0.000 0.455 724 I N -0.196 120.366 120.570 -0.013 0.000 2.752 724 I HA 0.309 4.483 4.170 0.006 0.000 0.290 724 I C -1.869 174.286 176.117 0.065 0.000 1.507 724 I CA -0.441 60.849 61.300 -0.017 0.000 1.038 724 I CB 1.449 39.403 38.000 -0.076 0.000 1.390 724 I HN 0.581 nan 8.210 nan 0.000 0.435 725 C N 5.864 125.238 119.300 0.124 0.000 2.626 725 C HA 0.524 4.988 4.460 0.006 0.000 0.310 725 C C -0.944 174.353 174.990 0.511 0.000 1.191 725 C CA -0.485 58.694 59.018 0.268 0.000 1.517 725 C CB 1.637 29.513 27.740 0.227 0.000 2.102 725 C HN 0.644 nan 8.230 nan 0.000 0.479 726 Y N 2.403 122.948 120.300 0.408 0.000 2.330 726 Y HA 0.487 5.040 4.550 0.006 0.000 0.336 726 Y C 0.155 176.182 175.900 0.211 0.000 1.036 726 Y CA -0.063 58.243 58.100 0.344 0.000 1.125 726 Y CB 0.807 39.469 38.460 0.337 0.000 1.194 726 Y HN 0.717 nan 8.280 nan 0.000 0.469 727 Q N 6.267 125.842 119.800 -0.376 0.000 2.571 727 Q HA 0.136 4.480 4.340 0.006 0.000 0.243 727 Q C 0.951 176.440 176.000 -0.851 0.000 1.055 727 Q CA -0.247 55.277 55.803 -0.465 0.000 0.815 727 Q CB 0.638 29.136 28.738 -0.400 0.000 1.151 727 Q HN 0.979 nan 8.270 nan 0.000 0.519 728 E N 2.280 121.864 120.200 -1.026 0.000 2.049 728 E HA -0.239 4.114 4.350 0.006 0.000 0.198 728 E C 1.493 177.885 176.600 -0.347 0.000 1.007 728 E CA 2.405 58.333 56.400 -0.786 0.000 0.809 728 E CB -0.075 29.485 29.700 -0.234 0.000 0.749 728 E HN 0.594 nan 8.360 nan 0.000 0.450 729 V N -0.092 119.674 119.914 -0.245 0.000 2.363 729 V HA -0.244 3.879 4.120 0.006 0.000 0.254 729 V C 1.952 177.964 176.094 -0.136 0.000 1.074 729 V CA 2.447 64.655 62.300 -0.153 0.000 1.069 729 V CB -0.788 30.951 31.823 -0.141 0.000 0.659 729 V HN 0.222 nan 8.190 nan 0.000 0.455 730 S N -0.329 115.263 115.700 -0.181 0.000 2.557 730 S HA 0.212 4.686 4.470 0.006 0.000 0.223 730 S C 0.431 174.987 174.600 -0.074 0.000 0.969 730 S CA 0.031 58.175 58.200 -0.092 0.000 0.927 730 S CB -0.079 63.075 63.200 -0.077 0.000 0.806 730 S HN 0.750 nan 8.310 nan 0.000 0.489 731 Q N 0.520 120.229 119.800 -0.151 0.000 2.431 731 Q HA -0.207 4.137 4.340 0.006 0.000 0.344 731 Q C 0.019 175.936 176.000 -0.137 0.000 1.384 731 Q CA 0.905 56.648 55.803 -0.102 0.000 0.984 731 Q CB -2.599 26.177 28.738 0.062 0.000 1.204 731 Q HN 0.871 nan 8.270 nan 0.000 0.392 732 C N -3.038 116.110 119.300 -0.254 0.000 3.312 732 C HA 0.812 5.276 4.460 0.006 0.000 0.332 732 C C -0.538 174.314 174.990 -0.231 0.000 1.340 732 C CA -1.397 57.474 59.018 -0.244 0.000 1.265 732 C CB 1.380 29.045 27.740 -0.126 0.000 1.563 732 C HN 0.274 nan 8.230 nan 0.000 0.471 733 F N 1.004 121.012 119.950 0.097 0.000 2.443 733 F HA 0.649 5.180 4.527 0.006 0.000 0.335 733 F C 1.091 176.845 175.800 -0.077 0.000 1.104 733 F CA 0.148 58.221 58.000 0.123 0.000 1.013 733 F CB 1.896 40.972 39.000 0.127 0.000 1.136 733 F HN 1.036 nan 8.300 nan 0.000 0.470 734 G N 1.343 110.070 108.800 -0.121 0.000 2.377 734 G HA2 0.562 4.526 3.960 0.006 0.000 0.299 734 G HA3 0.562 4.526 3.960 0.006 0.000 0.299 734 G C -1.503 173.247 174.900 -0.249 0.000 1.150 734 G CA -0.490 44.255 45.100 -0.592 0.000 0.847 734 G HN 0.501 nan 8.290 nan 0.000 0.501 735 V N 2.875 122.660 119.914 -0.215 0.000 2.668 735 V HA 0.323 4.447 4.120 0.006 0.000 0.304 735 V C -0.054 175.968 176.094 -0.120 0.000 1.071 735 V CA -0.647 61.578 62.300 -0.125 0.000 0.894 735 V CB 1.777 33.552 31.823 -0.081 0.000 1.008 735 V HN 0.648 nan 8.190 nan 0.000 0.425 736 L N 4.382 125.555 121.223 -0.083 0.000 2.371 736 L HA 0.727 5.071 4.340 0.006 0.000 0.272 736 L C 0.414 177.242 176.870 -0.070 0.000 1.124 736 L CA 0.220 55.036 54.840 -0.040 0.000 0.816 736 L CB 1.645 43.694 42.059 -0.017 0.000 1.129 736 L HN 0.877 nan 8.230 nan 0.000 0.448 737 S N 1.059 116.709 115.700 -0.083 0.000 2.638 737 S HA 0.711 5.185 4.470 0.006 0.000 0.274 737 S C -0.872 173.557 174.600 -0.284 0.000 1.157 737 S CA -0.754 57.352 58.200 -0.156 0.000 0.826 737 S CB 2.131 65.260 63.200 -0.119 0.000 1.139 737 S HN 0.574 nan 8.310 nan 0.000 0.474 738 S N 0.503 115.980 115.700 -0.372 0.000 2.548 738 S HA 0.743 5.217 4.470 0.006 0.000 0.276 738 S C -0.720 173.724 174.600 -0.259 0.000 1.129 738 S CA -0.893 56.975 58.200 -0.553 0.000 0.931 738 S CB 1.248 63.890 63.200 -0.930 0.000 1.068 738 S HN 1.124 nan 8.310 nan 0.000 0.480 739 R N 3.133 123.530 120.500 -0.171 0.000 2.923 739 R HA 0.756 5.099 4.340 0.006 0.000 0.252 739 R C -0.956 175.327 176.300 -0.028 0.000 1.130 739 R CA -0.980 55.087 56.100 -0.055 0.000 1.043 739 R CB 0.801 31.089 30.300 -0.019 0.000 1.205 739 R HN 0.597 nan 8.270 nan 0.000 0.495 740 I N -0.241 120.344 120.570 0.026 0.000 2.797 740 I HA 0.420 4.594 4.170 0.006 0.000 0.307 740 I C -0.430 175.705 176.117 0.028 0.000 1.033 740 I CA -0.812 60.512 61.300 0.040 0.000 1.071 740 I CB 2.305 40.342 38.000 0.062 0.000 1.255 740 I HN 0.661 nan 8.210 nan 0.000 0.445 741 E N 2.139 122.356 120.200 0.029 0.000 2.388 741 E HA 0.330 4.683 4.350 0.006 0.000 0.280 741 E C -1.538 175.078 176.600 0.025 0.000 1.019 741 E CA -0.694 55.720 56.400 0.024 0.000 0.806 741 E CB 3.003 32.717 29.700 0.024 0.000 1.246 741 E HN 0.373 nan 8.360 nan 0.000 0.443 742 V N -0.384 119.542 119.914 0.021 0.000 2.863 742 V HA 0.404 4.528 4.120 0.006 0.000 0.307 742 V C -0.010 176.099 176.094 0.024 0.000 1.061 742 V CA -0.616 61.696 62.300 0.021 0.000 1.024 742 V CB 1.387 33.219 31.823 0.015 0.000 1.049 742 V HN 0.773 nan 8.190 nan 0.000 0.471 743 Q N 1.872 121.687 119.800 0.026 0.000 2.361 743 Q HA 0.217 4.561 4.340 0.006 0.000 0.276 743 Q C -0.445 175.568 176.000 0.021 0.000 1.022 743 Q CA -0.115 55.704 55.803 0.027 0.000 0.898 743 Q CB 0.727 29.482 28.738 0.027 0.000 1.246 743 Q HN 0.818 nan 8.270 nan 0.000 0.410 744 D N 1.600 122.013 120.400 0.022 0.000 2.399 744 D HA 0.013 4.656 4.640 0.006 0.000 0.288 744 D C 1.064 177.373 176.300 0.016 0.000 1.197 744 D CA 0.756 54.767 54.000 0.018 0.000 1.081 744 D CB 0.593 41.404 40.800 0.018 0.000 1.139 744 D HN 0.829 nan 8.370 nan 0.000 0.554 745 T N -2.861 111.702 114.554 0.015 0.000 3.160 745 T HA -0.023 4.331 4.350 0.006 0.000 0.257 745 T C 1.271 175.980 174.700 0.014 0.000 1.147 745 T CA 1.156 63.264 62.100 0.013 0.000 1.064 745 T CB -0.052 68.823 68.868 0.011 0.000 0.949 745 T HN 0.258 nan 8.240 nan 0.000 0.526 746 S N -1.786 113.924 115.700 0.017 0.000 2.590 746 S HA 0.588 5.061 4.470 0.006 0.000 0.281 746 S C 1.468 176.081 174.600 0.022 0.000 1.068 746 S CA 0.279 58.490 58.200 0.018 0.000 1.193 746 S CB 0.443 63.654 63.200 0.018 0.000 1.040 746 S HN 0.762 nan 8.310 nan 0.000 0.544 747 G N 1.025 109.839 108.800 0.024 0.000 3.859 747 G HA2 0.291 4.255 3.960 0.006 0.000 0.198 747 G HA3 0.291 4.255 3.960 0.006 0.000 0.198 747 G C 0.660 175.579 174.900 0.031 0.000 0.972 747 G CA 0.194 45.311 45.100 0.029 0.000 0.882 747 G HN 0.898 nan 8.290 nan 0.000 0.364 748 G N 0.683 109.501 108.800 0.029 0.000 2.902 748 G HA2 0.451 4.415 3.960 0.006 0.000 0.240 748 G HA3 0.451 4.415 3.960 0.006 0.000 0.240 748 G C 0.411 175.328 174.900 0.028 0.000 1.244 748 G CA 1.394 46.512 45.100 0.029 0.000 0.862 748 G HN 1.404 nan 8.290 nan 0.000 0.603 749 T N -2.710 111.860 114.554 0.027 0.000 2.861 749 T HA 0.651 5.005 4.350 0.006 0.000 0.287 749 T C 0.689 175.401 174.700 0.020 0.000 1.003 749 T CA 0.096 62.211 62.100 0.025 0.000 0.977 749 T CB 1.814 70.700 68.868 0.030 0.000 0.996 749 T HN 0.871 nan 8.240 nan 0.000 0.448 750 T N -0.112 114.452 114.554 0.016 0.000 4.042 750 T HA 0.694 5.048 4.350 0.006 0.000 0.252 750 T C 0.656 175.362 174.700 0.010 0.000 0.951 750 T CA -0.137 61.970 62.100 0.012 0.000 1.528 750 T CB -0.228 68.646 68.868 0.009 0.000 2.404 750 T HN 1.794 nan 8.240 nan 0.000 0.398 751 A N -0.173 122.651 122.820 0.007 0.000 2.503 751 A HA 0.481 4.804 4.320 0.006 0.000 0.275 751 A C 0.832 178.416 177.584 0.001 0.000 1.339 751 A CA -0.548 51.492 52.037 0.005 0.000 0.984 751 A CB -0.930 18.071 19.000 0.002 0.000 1.382 751 A HN 0.706 nan 8.150 nan 0.000 0.609 752 L N 0.742 121.967 121.223 0.004 0.000 2.156 752 L HA -0.271 4.073 4.340 0.006 0.000 0.248 752 L C 1.755 178.620 176.870 -0.008 0.000 1.108 752 L CA 2.344 57.184 54.840 0.000 0.000 0.842 752 L CB -0.386 41.676 42.059 0.005 0.000 0.950 752 L HN 0.853 nan 8.230 nan 0.000 0.441 753 R N 0.938 121.435 120.500 -0.005 0.000 2.668 753 R HA 0.467 4.810 4.340 0.006 0.000 0.279 753 R C -2.586 173.696 176.300 -0.030 0.000 0.976 753 R CA -2.026 54.058 56.100 -0.026 0.000 0.978 753 R CB 0.200 30.488 30.300 -0.021 0.000 1.133 753 R HN 0.035 nan 8.270 nan 0.000 0.484 754 P HA 0.066 nan 4.420 nan 0.000 0.271 754 P C -0.873 176.397 177.300 -0.050 0.000 1.216 754 P CA -0.222 62.835 63.100 -0.071 0.000 0.776 754 P CB 1.288 32.918 31.700 -0.117 0.000 0.881 755 S N 0.523 116.236 115.700 0.021 0.000 2.810 755 S HA 0.635 5.108 4.470 0.006 0.000 0.315 755 S C 1.215 175.878 174.600 0.104 0.000 1.138 755 S CA -0.305 57.969 58.200 0.124 0.000 0.889 755 S CB 0.966 64.228 63.200 0.103 0.000 1.236 755 S HN 0.415 nan 8.310 nan 0.000 0.548 756 A N 1.025 123.926 122.820 0.135 0.000 2.076 756 A HA -0.034 4.290 4.320 0.006 0.000 0.220 756 A C 2.036 179.640 177.584 0.033 0.000 1.160 756 A CA 1.864 53.954 52.037 0.088 0.000 0.653 756 A CB -1.255 17.784 19.000 0.065 0.000 0.801 756 A HN 1.111 nan 8.150 nan 0.000 0.455 757 S N -1.501 114.205 115.700 0.010 0.000 2.528 757 S HA -0.034 4.440 4.470 0.006 0.000 0.219 757 S C 1.553 176.144 174.600 -0.015 0.000 0.985 757 S CA 1.191 59.378 58.200 -0.022 0.000 0.914 757 S CB -0.447 62.727 63.200 -0.043 0.000 0.776 757 S HN 0.750 nan 8.310 nan 0.000 0.526 758 T N -2.120 112.434 114.554 0.001 0.000 2.978 758 T HA 0.203 4.556 4.350 0.006 0.000 0.248 758 T C 1.271 175.975 174.700 0.007 0.000 1.018 758 T CA -0.182 61.919 62.100 0.001 0.000 1.026 758 T CB -0.102 68.765 68.868 -0.002 0.000 1.032 758 T HN 0.121 nan 8.240 nan 0.000 0.485 759 Q N 1.633 121.440 119.800 0.012 0.000 2.282 759 Q HA 0.537 4.881 4.340 0.006 0.000 0.205 759 Q C 0.706 176.725 176.000 0.032 0.000 0.915 759 Q CA -0.122 55.690 55.803 0.014 0.000 0.949 759 Q CB -0.277 28.466 28.738 0.007 0.000 1.035 759 Q HN 0.754 nan 8.270 nan 0.000 0.484 760 A N 0.403 123.244 122.820 0.036 0.000 2.425 760 A HA 0.171 4.494 4.320 0.006 0.000 0.242 760 A C 1.305 178.931 177.584 0.071 0.000 1.077 760 A CA -0.271 51.797 52.037 0.053 0.000 0.781 760 A CB 0.306 19.333 19.000 0.045 0.000 1.020 760 A HN 0.353 nan 8.150 nan 0.000 0.494 761 L N 1.337 122.612 121.223 0.086 0.000 1.970 761 L HA -0.153 4.190 4.340 0.006 0.000 0.212 761 L C 1.980 178.908 176.870 0.095 0.000 1.071 761 L CA 2.070 56.960 54.840 0.085 0.000 0.751 761 L CB -0.857 41.255 42.059 0.088 0.000 0.889 761 L HN 0.955 nan 8.230 nan 0.000 0.432 762 S N -1.439 114.348 115.700 0.146 0.000 2.694 762 S HA 0.674 5.148 4.470 0.006 0.000 0.286 762 S C -0.127 174.644 174.600 0.285 0.000 1.080 762 S CA 0.100 58.395 58.200 0.159 0.000 0.953 762 S CB 1.907 65.157 63.200 0.084 0.000 1.313 762 S HN 0.416 nan 8.310 nan 0.000 0.555 763 S N -1.433 114.500 115.700 0.388 0.000 2.690 763 S HA 0.620 5.094 4.470 0.006 0.000 0.264 763 S C -1.342 173.554 174.600 0.493 0.000 1.040 763 S CA -0.512 57.951 58.200 0.437 0.000 0.869 763 S CB 0.326 63.624 63.200 0.163 0.000 1.132 763 S HN 1.314 nan 8.310 nan 0.000 0.474 764 S N -0.713 115.178 115.700 0.318 0.000 2.611 764 S HA 0.855 5.328 4.470 0.006 0.000 0.268 764 S C -1.636 173.006 174.600 0.070 0.000 1.156 764 S CA -0.271 58.109 58.200 0.302 0.000 0.817 764 S CB 1.432 64.998 63.200 0.609 0.000 1.122 764 S HN 1.582 nan 8.310 nan 0.000 0.466 765 V N 0.580 120.539 119.914 0.075 0.000 3.159 765 V HA 0.698 4.821 4.120 0.006 0.000 0.308 765 V C -0.481 175.654 176.094 0.069 0.000 1.190 765 V CA -0.475 61.763 62.300 -0.103 0.000 1.037 765 V CB 2.407 34.218 31.823 -0.020 0.000 1.060 765 V HN 0.877 nan 8.190 nan 0.000 0.437 766 S N 1.246 116.953 115.700 0.011 0.000 2.548 766 S HA 0.247 4.721 4.470 0.006 0.000 0.277 766 S C 1.132 175.840 174.600 0.180 0.000 1.315 766 S CA 0.331 58.680 58.200 0.248 0.000 1.050 766 S CB 1.282 64.651 63.200 0.282 0.000 0.918 766 S HN 1.069 nan 8.310 nan 0.000 0.497 767 S N 3.341 119.149 115.700 0.180 0.000 2.355 767 S HA 0.059 4.533 4.470 0.006 0.000 0.216 767 S C 0.960 175.630 174.600 0.116 0.000 1.037 767 S CA 0.517 58.792 58.200 0.124 0.000 0.955 767 S CB -0.757 62.503 63.200 0.100 0.000 0.877 767 S HN 0.822 nan 8.310 nan 0.000 0.488 768 S N 1.713 117.479 115.700 0.110 0.000 4.234 768 S HA -0.139 4.335 4.470 0.006 0.000 0.500 768 S C 0.466 175.122 174.600 0.093 0.000 1.062 768 S CA 0.306 58.559 58.200 0.088 0.000 0.852 768 S CB -0.040 63.222 63.200 0.103 0.000 1.045 768 S HN 0.511 nan 8.310 nan 0.000 0.429 769 K N 4.498 124.922 120.400 0.040 0.000 2.414 769 K HA 0.237 4.561 4.320 0.006 0.000 0.204 769 K C 1.414 178.001 176.600 -0.022 0.000 1.026 769 K CA -0.099 56.214 56.287 0.043 0.000 1.108 769 K CB -0.076 32.443 32.500 0.031 0.000 0.855 769 K HN 0.715 nan 8.250 nan 0.000 0.517 770 L N 0.392 121.523 121.223 -0.154 0.000 2.563 770 L HA -0.134 4.209 4.340 0.006 0.000 0.230 770 L C 0.412 176.861 176.870 -0.703 0.000 1.162 770 L CA 1.398 55.949 54.840 -0.482 0.000 0.812 770 L CB -0.485 41.129 42.059 -0.741 0.000 0.935 770 L HN 0.011 nan 8.230 nan 0.000 0.451 771 F N -2.184 117.801 119.950 0.059 0.000 2.740 771 F HA 0.553 5.084 4.527 0.006 0.000 0.357 771 F C 0.322 176.152 175.800 0.051 0.000 1.141 771 F CA -0.947 57.090 58.000 0.061 0.000 1.044 771 F CB 1.657 40.710 39.000 0.087 0.000 1.430 771 F HN -0.450 nan 8.300 nan 0.000 0.518 772 S N 0.481 116.339 115.700 0.264 0.000 2.407 772 S HA 0.432 4.906 4.470 0.006 0.000 0.327 772 S C -1.452 173.202 174.600 0.090 0.000 0.655 772 S CA -0.576 57.709 58.200 0.142 0.000 0.734 772 S CB -0.311 62.947 63.200 0.096 0.000 1.103 772 S HN 0.906 nan 8.310 nan 0.000 0.514 784 E N 1.812 122.025 120.200 0.021 0.000 2.493 784 E HA 0.297 4.651 4.350 0.006 0.000 0.255 784 E C -0.362 176.257 176.600 0.031 0.000 0.999 784 E CA 0.460 56.877 56.400 0.028 0.000 0.934 784 E CB 0.881 30.602 29.700 0.034 0.000 0.940 784 E HN 0.296 nan 8.360 nan 0.000 0.473 785 E N 1.950 122.170 120.200 0.033 0.000 2.249 785 E HA 0.343 4.697 4.350 0.006 0.000 0.280 785 E C -1.013 175.622 176.600 0.057 0.000 1.016 785 E CA -0.422 56.000 56.400 0.038 0.000 0.830 785 E CB 1.801 31.519 29.700 0.030 0.000 1.081 785 E HN 0.140 nan 8.360 nan 0.000 0.395 786 V N 2.913 122.865 119.914 0.063 0.000 3.102 786 V HA 0.312 4.436 4.120 0.006 0.000 0.312 786 V C -1.182 174.966 176.094 0.089 0.000 1.135 786 V CA -0.571 61.780 62.300 0.085 0.000 1.022 786 V CB 2.310 34.179 31.823 0.076 0.000 1.056 786 V HN 0.656 nan 8.190 nan 0.000 0.436 787 E N 1.672 121.946 120.200 0.123 0.000 2.202 787 E HA 0.651 5.005 4.350 0.006 0.000 0.272 787 E C -1.617 175.034 176.600 0.084 0.000 0.951 787 E CA -0.580 55.870 56.400 0.082 0.000 0.813 787 E CB 2.328 32.097 29.700 0.115 0.000 1.151 787 E HN 0.455 nan 8.360 nan 0.000 0.398 788 V N 3.102 123.025 119.914 0.014 0.000 2.588 788 V HA 0.290 4.414 4.120 0.006 0.000 0.304 788 V C -0.519 175.562 176.094 -0.021 0.000 1.042 788 V CA -0.747 61.583 62.300 0.050 0.000 0.877 788 V CB 1.732 33.569 31.823 0.023 0.000 0.996 788 V HN 0.647 nan 8.190 nan 0.000 0.425 789 H N 3.697 122.728 119.070 -0.064 0.000 2.569 789 H HA 0.585 5.145 4.556 0.006 0.000 0.357 789 H C -0.974 174.472 175.328 0.197 0.000 1.153 789 H CA -0.730 55.297 56.048 -0.034 0.000 1.193 789 H CB 2.457 32.111 29.762 -0.180 0.000 1.602 789 H HN 0.645 nan 8.280 nan 0.000 0.523 790 N N 1.580 120.433 118.700 0.256 0.000 2.329 790 N HA 0.141 4.885 4.740 0.006 0.000 0.282 790 N C -1.349 174.277 175.510 0.193 0.000 1.198 790 N CA -0.789 52.350 53.050 0.147 0.000 0.790 790 N CB 3.097 41.548 38.487 -0.060 0.000 1.579 790 N HN 0.221 nan 8.380 nan 0.000 0.475 791 L N 1.327 122.560 121.223 0.017 0.000 2.334 791 L HA 0.578 4.922 4.340 0.006 0.000 0.277 791 L C -1.196 175.521 176.870 -0.254 0.000 1.075 791 L CA -0.213 54.545 54.840 -0.137 0.000 0.804 791 L CB 0.656 42.507 42.059 -0.346 0.000 1.174 791 L HN 0.419 nan 8.230 nan 0.000 0.438 792 L N 5.474 126.549 121.223 -0.247 0.000 2.386 792 L HA 0.493 4.837 4.340 0.006 0.000 0.271 792 L C -0.952 175.781 176.870 -0.227 0.000 0.993 792 L CA -0.810 53.907 54.840 -0.206 0.000 0.819 792 L CB 2.052 44.040 42.059 -0.119 0.000 1.294 792 L HN 0.435 nan 8.230 nan 0.000 0.414 793 I N 4.067 124.517 120.570 -0.201 0.000 2.321 793 I HA 0.334 4.508 4.170 0.006 0.000 0.291 793 I C -0.080 175.973 176.117 -0.108 0.000 0.998 793 I CA -0.410 60.752 61.300 -0.231 0.000 1.227 793 I CB 1.377 39.080 38.000 -0.495 0.000 1.368 793 I HN 0.376 nan 8.210 nan 0.000 0.466 794 I N 5.380 125.923 120.570 -0.045 0.000 2.339 794 I HA 0.161 4.335 4.170 0.006 0.000 0.290 794 I C 0.323 176.392 176.117 -0.080 0.000 0.994 794 I CA -0.425 60.888 61.300 0.021 0.000 1.191 794 I CB 1.193 39.301 38.000 0.180 0.000 1.343 794 I HN 0.461 nan 8.210 nan 0.000 0.458 795 D N 4.236 124.574 120.400 -0.102 0.000 2.458 795 D HA -0.028 4.615 4.640 0.006 0.000 0.243 795 D C 1.310 177.319 176.300 -0.485 0.000 1.146 795 D CA 0.186 54.091 54.000 -0.158 0.000 0.877 795 D CB 0.910 41.690 40.800 -0.034 0.000 1.176 795 D HN 0.624 nan 8.370 nan 0.000 0.461 796 Q N 3.480 122.973 119.800 -0.511 0.000 2.291 796 Q HA -0.225 4.118 4.340 0.006 0.000 0.206 796 Q C 0.597 176.151 176.000 -0.742 0.000 0.976 796 Q CA 1.265 56.568 55.803 -0.833 0.000 0.875 796 Q CB 0.005 28.359 28.738 -0.641 0.000 0.927 796 Q HN 0.679 nan 8.270 nan 0.000 0.450 797 H N 0.319 119.226 119.070 -0.271 0.000 2.451 797 H HA 0.043 4.603 4.556 0.006 0.000 0.294 797 H C 1.878 177.227 175.328 0.035 0.000 1.028 797 H CA 1.873 57.889 56.048 -0.054 0.000 1.349 797 H CB 0.537 30.289 29.762 -0.016 0.000 1.444 797 H HN 0.590 nan 8.280 nan 0.000 0.538 798 T N -2.877 111.733 114.554 0.093 0.000 2.990 798 T HA 0.041 4.395 4.350 0.006 0.000 0.249 798 T C 0.551 175.397 174.700 0.244 0.000 1.039 798 T CA -0.284 61.913 62.100 0.161 0.000 1.036 798 T CB -0.271 68.663 68.868 0.111 0.000 0.994 798 T HN 0.162 nan 8.240 nan 0.000 0.489 799 F N 1.951 121.974 119.950 0.121 0.000 3.091 799 F HA -0.159 4.371 4.527 0.006 0.000 0.288 799 F C 0.170 176.023 175.800 0.089 0.000 0.907 799 F CA 0.281 58.349 58.000 0.113 0.000 1.028 799 F CB -2.141 36.918 39.000 0.098 0.000 1.022 799 F HN 0.370 nan 8.300 nan 0.000 0.665 800 E N -0.399 119.885 120.200 0.139 0.000 2.266 800 E HA 0.416 4.770 4.350 0.006 0.000 0.277 800 E C 0.045 176.699 176.600 0.089 0.000 1.018 800 E CA -0.836 55.631 56.400 0.112 0.000 0.840 800 E CB 1.642 31.395 29.700 0.088 0.000 1.082 800 E HN 0.048 nan 8.360 nan 0.000 0.395 801 V N 5.494 125.460 119.914 0.087 0.000 2.180 801 V HA -0.077 4.046 4.120 0.006 0.000 0.238 801 V C 1.595 177.735 176.094 0.075 0.000 1.337 801 V CA 0.423 62.761 62.300 0.063 0.000 1.338 801 V CB -1.365 30.490 31.823 0.054 0.000 1.431 801 V HN 0.753 nan 8.190 nan 0.000 0.498 802 L N 1.321 122.591 121.223 0.079 0.000 1.976 802 L HA -0.171 4.173 4.340 0.006 0.000 0.223 802 L C 1.207 178.209 176.870 0.220 0.000 1.081 802 L CA 1.879 56.804 54.840 0.141 0.000 0.784 802 L CB -0.332 41.823 42.059 0.160 0.000 0.896 802 L HN 0.725 nan 8.230 nan 0.000 0.438 803 H N -1.610 117.494 119.070 0.057 0.000 2.851 803 H HA 0.656 5.215 4.556 0.006 0.000 0.372 803 H C -1.248 174.087 175.328 0.011 0.000 1.158 803 H CA -0.825 55.270 56.048 0.078 0.000 1.159 803 H CB 1.695 31.577 29.762 0.199 0.000 1.757 803 H HN 0.080 nan 8.280 nan 0.000 0.546 804 A N 3.262 125.862 122.820 -0.367 0.000 2.304 804 A HA 0.407 4.730 4.320 0.006 0.000 0.314 804 A C -1.409 175.798 177.584 -0.628 0.000 1.187 804 A CA -0.622 51.149 52.037 -0.444 0.000 0.810 804 A CB 0.204 19.102 19.000 -0.171 0.000 1.183 804 A HN 0.832 nan 8.150 nan 0.000 0.487 805 H N 1.774 120.443 119.070 -0.668 0.000 2.640 805 H HA 0.425 4.985 4.556 0.006 0.000 0.297 805 H C 0.083 175.129 175.328 -0.470 0.000 1.073 805 H CA 0.162 55.903 56.048 -0.512 0.000 1.305 805 H CB 0.660 30.079 29.762 -0.572 0.000 1.404 805 H HN 0.737 nan 8.280 nan 0.000 0.459 806 Q N 4.503 123.834 119.800 -0.781 0.000 2.288 806 Q HA 0.246 4.590 4.340 0.006 0.000 0.254 806 Q C -0.823 174.739 176.000 -0.729 0.000 0.932 806 Q CA -0.474 54.994 55.803 -0.559 0.000 0.902 806 Q CB 0.702 29.291 28.738 -0.247 0.000 1.203 806 Q HN 0.576 nan 8.270 nan 0.000 0.415 807 F N 1.506 121.338 119.950 -0.198 0.000 2.321 807 F HA 0.345 4.875 4.527 0.006 0.000 0.318 807 F C 0.361 176.157 175.800 -0.007 0.000 1.129 807 F CA -0.856 57.114 58.000 -0.052 0.000 1.074 807 F CB 0.621 39.644 39.000 0.038 0.000 1.432 807 F HN 0.394 nan 8.300 nan 0.000 0.502 808 L N 0.440 121.839 121.223 0.294 0.000 2.476 808 L HA 0.111 4.455 4.340 0.006 0.000 0.264 808 L C 0.197 177.140 176.870 0.120 0.000 1.224 808 L CA -0.409 54.539 54.840 0.180 0.000 0.821 808 L CB 0.080 42.260 42.059 0.202 0.000 1.101 808 L HN 0.514 nan 8.230 nan 0.000 0.488 809 Q N 1.693 121.549 119.800 0.093 0.000 2.308 809 Q HA -0.116 4.228 4.340 0.006 0.000 0.313 809 Q C 0.159 176.168 176.000 0.015 0.000 1.075 809 Q CA 0.422 56.265 55.803 0.067 0.000 0.995 809 Q CB 0.131 28.915 28.738 0.077 0.000 1.107 809 Q HN 0.564 nan 8.270 nan 0.000 0.380 810 N N 1.527 120.231 118.700 0.006 0.000 2.753 810 N HA -0.232 4.512 4.740 0.006 0.000 0.251 810 N C -0.917 174.529 175.510 -0.108 0.000 1.097 810 N CA 1.481 54.476 53.050 -0.091 0.000 0.786 810 N CB -0.750 37.504 38.487 -0.388 0.000 1.137 810 N HN 0.759 nan 8.380 nan 0.000 0.566 811 E N -0.168 120.029 120.200 -0.005 0.000 2.216 811 E HA 0.281 4.634 4.350 0.006 0.000 0.279 811 E C -0.987 175.577 176.600 -0.061 0.000 0.997 811 E CA -0.454 55.934 56.400 -0.019 0.000 0.817 811 E CB 0.662 30.370 29.700 0.014 0.000 1.096 811 E HN 0.164 nan 8.360 nan 0.000 0.393 812 Y N 2.063 122.020 120.300 -0.572 0.000 2.334 812 Y HA 0.449 5.003 4.550 0.006 0.000 0.336 812 Y C 0.242 175.768 175.900 -0.623 0.000 0.960 812 Y CA -1.227 56.365 58.100 -0.846 0.000 1.164 812 Y CB 1.884 39.974 38.460 -0.615 0.000 1.155 812 Y HN 0.605 nan 8.280 nan 0.000 0.478 813 A N 4.670 127.148 122.820 -0.570 0.000 2.409 813 A HA 0.482 4.805 4.320 0.006 0.000 0.262 813 A C 0.116 177.606 177.584 -0.156 0.000 1.113 813 A CA -0.102 51.666 52.037 -0.448 0.000 0.790 813 A CB 0.283 18.963 19.000 -0.533 0.000 1.046 813 A HN 1.038 nan 8.150 nan 0.000 0.496 814 L N 1.408 122.564 121.223 -0.113 0.000 3.076 814 L HA 0.177 4.521 4.340 0.006 0.000 0.271 814 L C 0.156 177.032 176.870 0.009 0.000 1.152 814 L CA 0.205 55.028 54.840 -0.027 0.000 0.996 814 L CB 0.387 42.409 42.059 -0.062 0.000 1.453 814 L HN 0.632 nan 8.230 nan 0.000 0.571 815 S N 0.995 116.691 115.700 -0.007 0.000 2.541 815 S HA 0.737 5.211 4.470 0.006 0.000 0.280 815 S C -1.080 173.545 174.600 0.041 0.000 1.112 815 S CA -0.495 57.724 58.200 0.033 0.000 0.925 815 S CB 2.981 66.202 63.200 0.035 0.000 1.067 815 S HN 0.047 nan 8.310 nan 0.000 0.479 816 L N 3.096 124.356 121.223 0.061 0.000 2.441 816 L HA 0.769 5.113 4.340 0.006 0.000 0.270 816 L C -0.780 176.157 176.870 0.111 0.000 0.973 816 L CA -0.508 54.375 54.840 0.071 0.000 0.842 816 L CB 1.636 43.707 42.059 0.020 0.000 1.239 816 L HN 0.782 nan 8.230 nan 0.000 0.406 817 V N 1.443 121.448 119.914 0.152 0.000 3.103 817 V HA 0.914 5.037 4.120 0.006 0.000 0.318 817 V C -0.561 175.709 176.094 0.293 0.000 1.114 817 V CA -0.406 62.002 62.300 0.182 0.000 1.020 817 V CB 1.945 33.848 31.823 0.134 0.000 1.085 817 V HN 0.848 nan 8.190 nan 0.000 0.446 818 S N 1.647 117.507 115.700 0.267 0.000 2.789 818 S HA 0.764 5.238 4.470 0.006 0.000 0.286 818 S C -0.648 174.016 174.600 0.106 0.000 1.153 818 S CA -0.010 58.346 58.200 0.259 0.000 1.084 818 S CB 0.032 63.436 63.200 0.338 0.000 1.036 818 S HN 2.067 nan 8.310 nan 0.000 0.484 819 C N 2.688 122.031 119.300 0.073 0.000 3.318 819 C HA 0.716 5.179 4.460 0.006 0.000 0.322 819 C C -0.929 174.097 174.990 0.059 0.000 1.398 819 C CA -1.172 57.874 59.018 0.045 0.000 1.339 819 C CB 0.473 28.241 27.740 0.047 0.000 1.668 819 C HN 0.800 nan 8.230 nan 0.000 0.462 820 K N 0.716 121.144 120.400 0.046 0.000 2.174 820 K HA 0.744 5.068 4.320 0.006 0.000 0.275 820 K C -0.958 175.675 176.600 0.055 0.000 1.015 820 K CA -0.115 56.225 56.287 0.090 0.000 0.933 820 K CB 0.845 33.381 32.500 0.060 0.000 1.025 820 K HN 0.577 nan 8.250 nan 0.000 0.463 821 L N 2.388 123.636 121.223 0.042 0.000 2.365 821 L HA 0.420 4.763 4.340 0.006 0.000 0.273 821 L C 0.813 177.798 176.870 0.192 0.000 1.000 821 L CA -0.395 54.392 54.840 -0.088 0.000 0.819 821 L CB 1.702 43.351 42.059 -0.683 0.000 1.284 821 L HN 0.972 nan 8.230 nan 0.000 0.418 822 G N 2.692 111.612 108.800 0.200 0.000 2.582 822 G HA2 -0.387 3.577 3.960 0.006 0.000 0.300 822 G HA3 -0.387 3.577 3.960 0.006 0.000 0.300 822 G C 0.640 175.652 174.900 0.187 0.000 1.300 822 G CA 0.708 45.947 45.100 0.232 0.000 0.959 822 G HN 0.721 nan 8.290 nan 0.000 0.548 823 K N 0.599 121.096 120.400 0.161 0.000 2.147 823 K HA 0.015 4.339 4.320 0.006 0.000 0.205 823 K C 1.326 178.008 176.600 0.137 0.000 1.049 823 K CA 0.908 57.264 56.287 0.116 0.000 0.936 823 K CB -0.292 32.254 32.500 0.076 0.000 0.722 823 K HN 0.608 nan 8.250 nan 0.000 0.446 824 D N 1.290 121.814 120.400 0.206 0.000 2.819 824 D HA -0.094 4.549 4.640 0.006 0.000 0.236 824 D C -1.922 174.511 176.300 0.222 0.000 1.181 824 D CA -0.706 53.451 54.000 0.261 0.000 0.855 824 D CB 0.808 41.904 40.800 0.493 0.000 1.146 824 D HN 0.092 nan 8.370 nan 0.000 0.540 825 P HA 0.107 nan 4.420 nan 0.000 0.253 825 P C -0.525 176.800 177.300 0.042 0.000 1.508 825 P CA -0.306 62.841 63.100 0.078 0.000 0.883 825 P CB 0.174 31.902 31.700 0.046 0.000 1.519 826 N N -0.402 118.347 118.700 0.081 0.000 2.384 826 N HA 0.375 5.118 4.740 0.006 0.000 0.301 826 N C -0.637 174.725 175.510 -0.246 0.000 1.133 826 N CA -0.127 52.854 53.050 -0.116 0.000 0.853 826 N CB 1.138 39.520 38.487 -0.176 0.000 1.241 826 N HN -0.258 nan 8.380 nan 0.000 0.502 827 T N 1.807 116.080 114.554 -0.468 0.000 2.786 827 T HA 0.440 4.794 4.350 0.006 0.000 0.283 827 T C -0.829 173.542 174.700 -0.548 0.000 0.992 827 T CA -0.259 61.623 62.100 -0.363 0.000 0.954 827 T CB 0.035 68.750 68.868 -0.255 0.000 0.934 827 T HN 0.213 nan 8.240 nan 0.000 0.440 828 Y N 1.110 121.326 120.300 -0.141 0.000 2.534 828 Y HA 0.636 5.190 4.550 0.006 0.000 0.329 828 Y C -0.170 175.702 175.900 -0.048 0.000 1.154 828 Y CA -1.641 56.403 58.100 -0.093 0.000 1.192 828 Y CB 0.899 39.310 38.460 -0.082 0.000 1.275 828 Y HN 0.478 nan 8.280 nan 0.000 0.491 829 F N 2.387 122.495 119.950 0.263 0.000 2.325 829 F HA 0.448 4.979 4.527 0.006 0.000 0.369 829 F C -0.325 175.669 175.800 0.322 0.000 1.095 829 F CA -1.403 56.725 58.000 0.214 0.000 1.082 829 F CB 0.065 39.150 39.000 0.143 0.000 1.289 829 F HN 0.194 nan 8.300 nan 0.000 0.462 830 I N 3.185 123.994 120.570 0.398 0.000 2.488 830 I HA 0.550 4.724 4.170 0.006 0.000 0.299 830 I C -0.551 175.724 176.117 0.263 0.000 0.984 830 I CA -0.898 60.564 61.300 0.271 0.000 1.250 830 I CB 1.646 39.687 38.000 0.068 0.000 1.389 830 I HN 0.047 nan 8.210 nan 0.000 0.488 831 V N 3.749 123.822 119.914 0.265 0.000 2.567 831 V HA 0.467 4.591 4.120 0.006 0.000 0.298 831 V C 0.228 176.379 176.094 0.095 0.000 1.047 831 V CA -0.640 61.788 62.300 0.212 0.000 0.880 831 V CB 1.615 33.671 31.823 0.390 0.000 1.009 831 V HN 0.916 nan 8.190 nan 0.000 0.429 832 G N 2.759 111.567 108.800 0.012 0.000 2.395 832 G HA2 0.697 4.660 3.960 0.006 0.000 0.283 832 G HA3 0.697 4.660 3.960 0.006 0.000 0.283 832 G C -0.006 174.828 174.900 -0.110 0.000 1.178 832 G CA 0.365 45.439 45.100 -0.043 0.000 0.837 832 G HN 0.863 nan 8.290 nan 0.000 0.518 833 T N -2.152 112.326 114.554 -0.125 0.000 2.654 833 T HA 0.833 5.187 4.350 0.006 0.000 0.289 833 T C -0.628 173.968 174.700 -0.174 0.000 1.062 833 T CA -0.398 61.593 62.100 -0.183 0.000 1.041 833 T CB 1.900 70.654 68.868 -0.190 0.000 1.417 833 T HN 1.920 nan 8.240 nan 0.000 0.510 834 A N 1.075 123.784 122.820 -0.184 0.000 2.530 834 A HA 0.584 4.908 4.320 0.006 0.000 0.297 834 A C -0.930 176.474 177.584 -0.301 0.000 1.059 834 A CA -0.831 51.065 52.037 -0.235 0.000 0.782 834 A CB 1.212 20.021 19.000 -0.318 0.000 1.301 834 A HN 0.702 nan 8.150 nan 0.000 0.394 835 M N 2.853 122.269 119.600 -0.307 0.000 2.108 835 M HA 0.321 4.805 4.480 0.006 0.000 0.347 835 M C -0.536 175.434 176.300 -0.550 0.000 1.326 835 M CA -0.293 54.745 55.300 -0.437 0.000 1.126 835 M CB 0.494 32.817 32.600 -0.462 0.000 1.606 835 M HN 0.369 nan 8.290 nan 0.000 0.462 836 V N 6.289 125.708 119.914 -0.825 0.000 2.350 836 V HA 0.392 4.515 4.120 0.006 0.000 0.285 836 V C -1.075 174.563 176.094 -0.760 0.000 1.014 836 V CA -0.548 61.305 62.300 -0.746 0.000 0.831 836 V CB 0.852 32.040 31.823 -1.058 0.000 1.000 836 V HN 0.632 nan 8.190 nan 0.000 0.433 837 Y N 4.858 125.057 120.300 -0.169 0.000 2.393 837 Y HA 0.441 4.995 4.550 0.006 0.000 0.341 837 Y C -1.547 174.310 175.900 -0.072 0.000 0.988 837 Y CA -2.631 55.410 58.100 -0.099 0.000 1.078 837 Y CB 1.310 39.725 38.460 -0.076 0.000 1.203 837 Y HN 0.428 nan 8.280 nan 0.000 0.453 838 P HA -0.159 nan 4.420 nan 0.000 0.229 838 P C 0.761 178.095 177.300 0.057 0.000 1.147 838 P CA 1.282 64.417 63.100 0.058 0.000 0.766 838 P CB 0.414 32.149 31.700 0.058 0.000 0.775 839 E N -0.118 120.125 120.200 0.072 0.000 2.042 839 E HA -0.033 4.321 4.350 0.006 0.000 0.189 839 E C 1.093 177.713 176.600 0.034 0.000 0.974 839 E CA 0.994 57.419 56.400 0.041 0.000 0.806 839 E CB -0.115 29.596 29.700 0.018 0.000 0.769 839 E HN 0.475 nan 8.360 nan 0.000 0.451 840 E N -0.223 120.002 120.200 0.042 0.000 3.884 840 E HA 0.528 4.882 4.350 0.006 0.000 0.434 840 E C -0.199 176.419 176.600 0.031 0.000 0.672 840 E CA -0.091 56.329 56.400 0.034 0.000 2.669 840 E CB 0.601 30.322 29.700 0.035 0.000 2.107 840 E HN 0.077 nan 8.360 nan 0.000 0.613 841 A N 0.871 123.708 122.820 0.029 0.000 2.307 841 A HA 0.174 4.498 4.320 0.006 0.000 0.227 841 A C -0.355 177.252 177.584 0.039 0.000 2.319 841 A CA -0.132 51.923 52.037 0.029 0.000 1.868 841 A CB -0.171 18.852 19.000 0.038 0.000 0.663 841 A HN 0.492 nan 8.150 nan 0.000 0.871 842 E N 0.565 120.786 120.200 0.034 0.000 2.622 842 E HA 0.162 4.516 4.350 0.006 0.000 0.257 842 E C -2.769 173.853 176.600 0.036 0.000 1.058 842 E CA -0.783 55.649 56.400 0.053 0.000 0.976 842 E CB 0.064 29.798 29.700 0.055 0.000 1.096 842 E HN 0.251 nan 8.360 nan 0.000 0.414 843 P HA -0.212 nan 4.420 nan 0.000 0.266 843 P C 0.103 177.407 177.300 0.007 0.000 1.118 843 P CA 0.737 63.819 63.100 -0.031 0.000 0.749 843 P CB 0.543 32.172 31.700 -0.118 0.000 0.708 844 K N 3.025 123.441 120.400 0.027 0.000 2.360 844 K HA 0.055 4.379 4.320 0.006 0.000 0.196 844 K C 0.351 176.995 176.600 0.074 0.000 1.049 844 K CA 0.696 57.014 56.287 0.052 0.000 1.049 844 K CB 0.395 32.928 32.500 0.055 0.000 0.881 844 K HN 0.672 nan 8.250 nan 0.000 0.542 845 Q N -0.204 119.633 119.800 0.061 0.000 2.423 845 Q HA 0.762 5.106 4.340 0.006 0.000 0.278 845 Q C -0.533 175.496 176.000 0.048 0.000 1.097 845 Q CA -1.244 54.632 55.803 0.121 0.000 0.809 845 Q CB 2.546 31.423 28.738 0.232 0.000 1.391 845 Q HN 0.065 nan 8.270 nan 0.000 0.428 846 G N 0.694 109.579 108.800 0.141 0.000 2.430 846 G HA2 0.576 4.539 3.960 0.006 0.000 0.300 846 G HA3 0.576 4.539 3.960 0.006 0.000 0.300 846 G C -1.780 173.220 174.900 0.166 0.000 1.330 846 G CA -1.019 44.134 45.100 0.087 0.000 0.813 846 G HN 0.788 nan 8.290 nan 0.000 0.487 847 R N -1.210 119.350 120.500 0.100 0.000 2.799 847 R HA 0.765 5.109 4.340 0.006 0.000 0.270 847 R C -1.480 174.826 176.300 0.011 0.000 1.010 847 R CA -1.006 55.143 56.100 0.082 0.000 0.916 847 R CB 1.791 32.177 30.300 0.144 0.000 1.228 847 R HN 0.413 nan 8.270 nan 0.000 0.469 848 I N 1.750 122.298 120.570 -0.037 0.000 2.378 848 I HA 0.360 4.533 4.170 0.006 0.000 0.291 848 I C -0.655 175.429 176.117 -0.054 0.000 0.992 848 I CA -1.172 60.080 61.300 -0.079 0.000 1.154 848 I CB 2.150 40.010 38.000 -0.233 0.000 1.315 848 I HN 0.294 nan 8.210 nan 0.000 0.448 849 V N 6.665 126.579 119.914 0.001 0.000 2.540 849 V HA 0.425 4.549 4.120 0.006 0.000 0.302 849 V C -0.158 175.832 176.094 -0.173 0.000 1.035 849 V CA -0.823 61.407 62.300 -0.117 0.000 0.873 849 V CB 2.023 33.764 31.823 -0.136 0.000 0.992 849 V HN 0.366 nan 8.190 nan 0.000 0.428 850 V N 5.127 124.881 119.914 -0.268 0.000 2.328 850 V HA 0.493 4.617 4.120 0.006 0.000 0.278 850 V C -0.561 175.482 176.094 -0.085 0.000 1.021 850 V CA -0.209 62.007 62.300 -0.140 0.000 0.838 850 V CB 0.748 32.425 31.823 -0.243 0.000 0.999 850 V HN 0.658 nan 8.190 nan 0.000 0.447 851 F N 2.873 122.964 119.950 0.234 0.000 2.425 851 F HA 0.622 5.152 4.527 0.006 0.000 0.331 851 F C 0.358 176.332 175.800 0.290 0.000 1.085 851 F CA -0.448 57.699 58.000 0.245 0.000 1.028 851 F CB 1.412 40.552 39.000 0.232 0.000 1.177 851 F HN 0.358 nan 8.300 nan 0.000 0.487 852 Q N 1.414 121.449 119.800 0.391 0.000 2.365 852 Q HA 0.318 4.661 4.340 0.006 0.000 0.269 852 Q C -2.005 174.120 176.000 0.208 0.000 1.061 852 Q CA -0.979 54.918 55.803 0.156 0.000 0.816 852 Q CB 2.086 30.807 28.738 -0.028 0.000 1.325 852 Q HN 0.701 nan 8.270 nan 0.000 0.446 853 Y N 2.371 122.650 120.300 -0.035 0.000 2.369 853 Y HA 0.336 4.890 4.550 0.006 0.000 0.337 853 Y C -0.442 175.419 175.900 -0.065 0.000 0.961 853 Y CA -0.086 58.011 58.100 -0.004 0.000 1.186 853 Y CB 0.841 39.311 38.460 0.017 0.000 1.139 853 Y HN 0.673 nan 8.280 nan 0.000 0.494 854 S N 3.022 118.503 115.700 -0.365 0.000 2.301 854 S HA 0.071 4.544 4.470 0.006 0.000 0.245 854 S C 0.754 175.131 174.600 -0.371 0.000 1.191 854 S CA -0.068 57.960 58.200 -0.286 0.000 1.032 854 S CB 0.152 63.238 63.200 -0.189 0.000 1.104 854 S HN 0.731 nan 8.310 nan 0.000 0.453 855 D N 1.351 121.595 120.400 -0.260 0.000 2.108 855 D HA 0.019 4.662 4.640 0.006 0.000 0.190 855 D C 1.415 177.541 176.300 -0.290 0.000 0.995 855 D CA 1.763 55.634 54.000 -0.214 0.000 0.834 855 D CB -0.277 40.438 40.800 -0.142 0.000 0.967 855 D HN 0.597 nan 8.370 nan 0.000 0.446 856 G N -1.153 107.447 108.800 -0.333 0.000 4.110 856 G HA2 0.150 4.113 3.960 0.006 0.000 0.292 856 G HA3 0.150 4.113 3.960 0.006 0.000 0.292 856 G C -0.376 174.227 174.900 -0.494 0.000 1.020 856 G CA -0.458 44.420 45.100 -0.370 0.000 0.808 856 G HN 0.028 nan 8.290 nan 0.000 0.474 857 K N 0.568 120.601 120.400 -0.612 0.000 2.259 857 K HA 0.537 4.860 4.320 0.006 0.000 0.249 857 K C -1.351 175.119 176.600 -0.216 0.000 0.942 857 K CA -0.904 55.172 56.287 -0.352 0.000 0.816 857 K CB 2.795 35.170 32.500 -0.209 0.000 1.155 857 K HN -0.073 nan 8.250 nan 0.000 0.428 858 L N 2.781 124.017 121.223 0.023 0.000 2.295 858 L HA 0.217 4.561 4.340 0.006 0.000 0.281 858 L C -0.619 176.378 176.870 0.212 0.000 1.018 858 L CA -0.337 54.680 54.840 0.294 0.000 0.841 858 L CB 1.370 43.764 42.059 0.559 0.000 1.218 858 L HN 0.696 nan 8.230 nan 0.000 0.424 859 Q N 2.592 122.508 119.800 0.193 0.000 2.360 859 Q HA 0.204 4.547 4.340 0.006 0.000 0.254 859 Q C -0.443 175.651 176.000 0.156 0.000 0.975 859 Q CA -0.450 55.437 55.803 0.139 0.000 0.912 859 Q CB 1.045 29.838 28.738 0.091 0.000 1.212 859 Q HN 0.514 nan 8.270 nan 0.000 0.452 860 T N 3.944 118.538 114.554 0.067 0.000 2.800 860 T HA 0.011 4.364 4.350 0.006 0.000 0.266 860 T C 1.306 175.975 174.700 -0.052 0.000 0.939 860 T CA -0.204 61.815 62.100 -0.136 0.000 1.199 860 T CB 0.247 69.016 68.868 -0.165 0.000 0.899 860 T HN 0.430 nan 8.240 nan 0.000 0.555 861 V N 1.978 121.893 119.914 0.002 0.000 2.488 861 V HA 0.261 4.385 4.120 0.006 0.000 0.246 861 V C 1.162 177.298 176.094 0.070 0.000 1.046 861 V CA 1.228 63.599 62.300 0.117 0.000 1.053 861 V CB -0.602 31.408 31.823 0.312 0.000 0.679 861 V HN 0.986 nan 8.190 nan 0.000 0.458 862 A N 0.053 122.872 122.820 -0.002 0.000 2.594 862 A HA 0.671 4.995 4.320 0.006 0.000 0.296 862 A C -0.817 176.732 177.584 -0.059 0.000 1.056 862 A CA -0.577 51.476 52.037 0.027 0.000 0.693 862 A CB 1.330 20.461 19.000 0.219 0.000 1.278 862 A HN 0.380 nan 8.150 nan 0.000 0.408 863 E N 0.373 120.549 120.200 -0.040 0.000 2.393 863 E HA 0.865 5.218 4.350 0.006 0.000 0.265 863 E C -0.991 175.590 176.600 -0.031 0.000 0.941 863 E CA -1.063 55.306 56.400 -0.052 0.000 0.801 863 E CB 1.983 31.656 29.700 -0.045 0.000 1.313 863 E HN 0.406 nan 8.360 nan 0.000 0.435 864 K N 0.717 121.094 120.400 -0.039 0.000 2.589 864 K HA 0.182 4.506 4.320 0.006 0.000 0.253 864 K C -1.604 174.988 176.600 -0.013 0.000 0.974 864 K CA -0.311 55.955 56.287 -0.034 0.000 0.835 864 K CB 1.882 34.319 32.500 -0.104 0.000 1.272 864 K HN 0.601 nan 8.250 nan 0.000 0.444 865 E N 2.575 122.773 120.200 -0.003 0.000 2.374 865 E HA 0.462 4.816 4.350 0.006 0.000 0.260 865 E C -0.726 175.921 176.600 0.079 0.000 1.101 865 E CA -0.657 55.754 56.400 0.018 0.000 0.907 865 E CB 0.898 30.568 29.700 -0.049 0.000 1.014 865 E HN 0.415 nan 8.360 nan 0.000 0.427 866 V N -0.071 119.915 119.914 0.119 0.000 3.114 866 V HA 0.446 4.570 4.120 0.006 0.000 0.308 866 V C -0.716 175.458 176.094 0.134 0.000 1.168 866 V CA -1.049 61.330 62.300 0.132 0.000 1.015 866 V CB 1.863 33.760 31.823 0.123 0.000 1.050 866 V HN 0.669 nan 8.190 nan 0.000 0.433 867 K N 1.755 122.227 120.400 0.121 0.000 3.101 867 K HA 0.703 5.027 4.320 0.006 0.000 0.229 867 K C 0.231 176.882 176.600 0.086 0.000 1.232 867 K CA 0.441 56.793 56.287 0.108 0.000 1.210 867 K CB 0.506 33.069 32.500 0.103 0.000 1.284 867 K HN 1.256 nan 8.250 nan 0.000 0.448 868 G N -0.161 108.677 108.800 0.063 0.000 2.315 868 G HA2 0.384 4.348 3.960 0.006 0.000 0.294 868 G HA3 0.384 4.348 3.960 0.006 0.000 0.294 868 G C -1.739 173.129 174.900 -0.053 0.000 1.300 868 G CA -0.830 44.285 45.100 0.025 0.000 0.843 868 G HN 0.130 nan 8.290 nan 0.000 0.527 869 A N -0.110 122.617 122.820 -0.155 0.000 2.347 869 A HA 0.567 4.891 4.320 0.006 0.000 0.287 869 A C 0.526 177.839 177.584 -0.452 0.000 1.199 869 A CA -0.247 51.538 52.037 -0.419 0.000 0.851 869 A CB 0.249 18.766 19.000 -0.805 0.000 1.118 869 A HN 1.624 nan 8.150 nan 0.000 0.525 870 V N 4.604 124.344 119.914 -0.291 0.000 2.377 870 V HA -0.021 4.103 4.120 0.006 0.000 0.254 870 V C 0.638 176.599 176.094 -0.221 0.000 1.060 870 V CA 0.404 62.603 62.300 -0.169 0.000 1.068 870 V CB -1.751 30.021 31.823 -0.085 0.000 1.113 870 V HN 0.934 nan 8.190 nan 0.000 0.484 871 Y N 2.771 123.050 120.300 -0.036 0.000 2.176 871 Y HA 0.000 4.554 4.550 0.006 0.000 0.291 871 Y C 1.697 177.572 175.900 -0.042 0.000 1.122 871 Y CA 1.429 59.493 58.100 -0.060 0.000 1.128 871 Y CB 0.342 38.729 38.460 -0.121 0.000 1.005 871 Y HN 0.722 nan 8.280 nan 0.000 0.509 872 S N 0.210 115.993 115.700 0.139 0.000 2.627 872 S HA 0.713 5.187 4.470 0.006 0.000 0.283 872 S C -0.881 173.766 174.600 0.077 0.000 1.127 872 S CA -0.924 57.336 58.200 0.100 0.000 0.863 872 S CB 2.098 65.360 63.200 0.103 0.000 1.121 872 S HN 0.220 nan 8.310 nan 0.000 0.479 873 M N 1.453 121.100 119.600 0.079 0.000 2.265 873 M HA 0.575 5.059 4.480 0.006 0.000 0.251 873 M C -1.472 174.881 176.300 0.089 0.000 1.005 873 M CA -0.834 54.511 55.300 0.075 0.000 0.998 873 M CB 1.160 33.798 32.600 0.063 0.000 2.070 873 M HN 0.604 nan 8.290 nan 0.000 0.476 874 V N 1.672 121.643 119.914 0.094 0.000 2.837 874 V HA 0.471 4.595 4.120 0.006 0.000 0.310 874 V C 0.034 176.207 176.094 0.132 0.000 1.059 874 V CA -0.117 62.253 62.300 0.117 0.000 1.004 874 V CB 1.785 33.686 31.823 0.130 0.000 1.045 874 V HN 0.999 nan 8.190 nan 0.000 0.465 875 E N 3.794 124.073 120.200 0.131 0.000 2.299 875 E HA 0.024 4.377 4.350 0.006 0.000 0.272 875 E C -0.492 176.235 176.600 0.211 0.000 1.043 875 E CA -0.011 56.469 56.400 0.133 0.000 0.895 875 E CB 0.784 30.537 29.700 0.088 0.000 1.011 875 E HN 0.715 nan 8.360 nan 0.000 0.432 876 F N 4.985 124.954 119.950 0.032 0.000 2.123 876 F HA 0.144 4.675 4.527 0.007 0.000 0.276 876 F C 0.965 176.786 175.800 0.035 0.000 1.198 876 F CA 0.658 58.679 58.000 0.035 0.000 1.102 876 F CB 0.217 39.236 39.000 0.032 0.000 1.023 876 F HN 0.421 nan 8.300 nan 0.000 0.506 877 N N -0.209 118.421 118.700 -0.118 0.000 2.703 877 N HA 0.262 5.005 4.740 0.006 0.000 0.283 877 N C 0.375 175.859 175.510 -0.043 0.000 1.851 877 N CA 0.691 53.602 53.050 -0.233 0.000 0.826 877 N CB 0.930 39.167 38.487 -0.417 0.000 1.239 877 N HN 0.670 nan 8.380 nan 0.000 0.495 878 G N 0.538 109.339 108.800 0.003 0.000 2.234 878 G HA2 -0.321 3.643 3.960 0.006 0.000 0.260 878 G HA3 -0.321 3.643 3.960 0.006 0.000 0.260 878 G C 0.270 175.209 174.900 0.065 0.000 0.987 878 G CA 0.610 45.735 45.100 0.041 0.000 0.625 878 G HN 0.435 nan 8.290 nan 0.000 0.532 879 K N -0.761 119.687 120.400 0.081 0.000 2.393 879 K HA 0.822 5.145 4.320 0.006 0.000 0.241 879 K C -0.782 175.891 176.600 0.122 0.000 1.055 879 K CA -1.089 55.263 56.287 0.109 0.000 0.951 879 K CB 1.550 34.113 32.500 0.106 0.000 1.285 879 K HN 0.295 nan 8.250 nan 0.000 0.500 880 L N 2.043 123.344 121.223 0.131 0.000 2.345 880 L HA 0.371 4.714 4.340 0.006 0.000 0.274 880 L C -1.503 175.482 176.870 0.193 0.000 0.999 880 L CA -0.725 54.188 54.840 0.122 0.000 0.849 880 L CB 1.003 43.077 42.059 0.024 0.000 1.220 880 L HN 0.516 nan 8.230 nan 0.000 0.422 881 L N 5.301 126.623 121.223 0.164 0.000 2.312 881 L HA 0.916 5.259 4.340 0.006 0.000 0.281 881 L C -0.430 176.509 176.870 0.115 0.000 1.070 881 L CA 0.275 55.183 54.840 0.114 0.000 0.805 881 L CB 1.288 43.339 42.059 -0.013 0.000 1.174 881 L HN 0.849 nan 8.230 nan 0.000 0.434 882 A N 2.899 125.799 122.820 0.132 0.000 2.513 882 A HA 0.599 4.923 4.320 0.006 0.000 0.296 882 A C -0.807 176.841 177.584 0.106 0.000 1.052 882 A CA -0.151 51.967 52.037 0.135 0.000 0.714 882 A CB 1.200 20.327 19.000 0.212 0.000 1.279 882 A HN 0.846 nan 8.150 nan 0.000 0.397 883 S N 1.242 116.985 115.700 0.072 0.000 2.452 883 S HA 0.608 5.081 4.470 0.006 0.000 0.284 883 S C -0.468 174.193 174.600 0.102 0.000 1.171 883 S CA -0.308 57.929 58.200 0.061 0.000 1.064 883 S CB 0.262 63.486 63.200 0.040 0.000 0.967 883 S HN 0.560 nan 8.310 nan 0.000 0.484 884 I N 3.439 124.064 120.570 0.092 0.000 2.886 884 I HA 0.394 4.567 4.170 0.006 0.000 0.311 884 I C 0.446 176.628 176.117 0.109 0.000 1.287 884 I CA -0.196 61.158 61.300 0.090 0.000 0.995 884 I CB -0.833 37.229 38.000 0.104 0.000 1.962 884 I HN 1.014 nan 8.210 nan 0.000 0.586 885 N N 2.643 121.474 118.700 0.218 0.000 2.471 885 N HA -0.297 4.447 4.740 0.006 0.000 0.286 885 N C 0.765 176.347 175.510 0.120 0.000 1.327 885 N CA 0.630 53.834 53.050 0.257 0.000 0.657 885 N CB -0.168 38.439 38.487 0.201 0.000 0.901 885 N HN 0.543 nan 8.380 nan 0.000 0.531 886 S N 0.441 116.175 115.700 0.056 0.000 1.961 886 S HA -0.204 4.269 4.470 0.006 0.000 0.239 886 S C -0.054 174.547 174.600 0.003 0.000 1.051 886 S CA 1.822 60.033 58.200 0.017 0.000 1.476 886 S CB -1.047 62.181 63.200 0.047 0.000 1.861 886 S HN 0.794 nan 8.310 nan 0.000 0.559 887 T N 2.561 117.101 114.554 -0.022 0.000 2.809 887 T HA 0.627 4.981 4.350 0.006 0.000 0.284 887 T C -0.500 174.119 174.700 -0.134 0.000 0.992 887 T CA -0.186 61.805 62.100 -0.182 0.000 0.957 887 T CB 1.730 70.395 68.868 -0.338 0.000 0.942 887 T HN 0.288 nan 8.240 nan 0.000 0.439 888 V N 4.651 124.488 119.914 -0.129 0.000 2.498 888 V HA 0.524 4.648 4.120 0.006 0.000 0.279 888 V C 0.545 176.610 176.094 -0.048 0.000 1.048 888 V CA -0.515 61.735 62.300 -0.084 0.000 0.967 888 V CB 1.215 32.939 31.823 -0.165 0.000 0.988 888 V HN 0.684 nan 8.190 nan 0.000 0.473 889 R N 2.755 123.257 120.500 0.002 0.000 2.912 889 R HA 0.753 5.097 4.340 0.006 0.000 0.262 889 R C -1.793 174.514 176.300 0.012 0.000 1.057 889 R CA -1.019 55.055 56.100 -0.044 0.000 0.981 889 R CB 2.036 32.197 30.300 -0.231 0.000 1.201 889 R HN 0.517 nan 8.270 nan 0.000 0.484 890 L N 2.167 123.325 121.223 -0.108 0.000 2.372 890 L HA 0.422 4.766 4.340 0.006 0.000 0.273 890 L C -1.852 174.946 176.870 -0.120 0.000 0.989 890 L CA -0.345 54.471 54.840 -0.040 0.000 0.841 890 L CB 1.052 43.057 42.059 -0.089 0.000 1.225 890 L HN 0.463 nan 8.230 nan 0.000 0.414 891 Y N 2.636 122.955 120.300 0.032 0.000 2.323 891 Y HA 0.553 5.106 4.550 0.006 0.000 0.331 891 Y C 0.502 176.443 175.900 0.068 0.000 1.092 891 Y CA -0.310 57.819 58.100 0.049 0.000 1.150 891 Y CB 1.298 39.791 38.460 0.055 0.000 1.200 891 Y HN 0.555 nan 8.280 nan 0.000 0.472 892 E N 1.828 122.178 120.200 0.251 0.000 2.227 892 E HA 0.186 4.540 4.350 0.006 0.000 0.268 892 E C -1.409 175.400 176.600 0.348 0.000 0.990 892 E CA -0.877 55.658 56.400 0.226 0.000 0.856 892 E CB 1.501 31.286 29.700 0.141 0.000 1.159 892 E HN 0.680 nan 8.360 nan 0.000 0.401 893 W N 3.784 125.099 121.300 0.025 0.000 2.296 893 W HA 0.139 4.802 4.660 0.005 0.000 0.316 893 W C -0.109 176.407 176.519 -0.005 0.000 1.022 893 W CA -0.964 56.375 57.345 -0.010 0.000 1.324 893 W CB 1.125 30.567 29.460 -0.031 0.000 1.227 893 W HN 0.584 nan 8.180 nan 0.000 0.409 894 T N 0.636 115.093 114.554 -0.162 0.000 2.908 894 T HA -0.102 4.251 4.350 0.006 0.000 0.325 894 T C 1.612 176.087 174.700 -0.375 0.000 1.092 894 T CA 0.789 62.748 62.100 -0.236 0.000 1.125 894 T CB 1.281 69.999 68.868 -0.250 0.000 1.016 894 T HN 0.570 nan 8.240 nan 0.000 0.550 895 T N 0.292 114.722 114.554 -0.207 0.000 2.665 895 T HA -0.224 4.130 4.350 0.006 0.000 0.268 895 T C 1.270 175.816 174.700 -0.257 0.000 1.035 895 T CA 1.665 63.657 62.100 -0.181 0.000 1.151 895 T CB -0.947 67.862 68.868 -0.099 0.000 0.862 895 T HN 0.907 nan 8.240 nan 0.000 0.438 896 E N 2.142 122.196 120.200 -0.244 0.000 2.381 896 E HA 0.143 4.497 4.350 0.006 0.000 0.198 896 E C -0.035 176.334 176.600 -0.386 0.000 1.204 896 E CA -0.191 56.065 56.400 -0.241 0.000 0.998 896 E CB -0.783 28.819 29.700 -0.164 0.000 1.080 896 E HN 0.439 nan 8.360 nan 0.000 0.481 897 K N 0.687 120.686 120.400 -0.668 0.000 3.451 897 K HA -0.181 4.143 4.320 0.006 0.000 0.273 897 K C -0.883 174.977 176.600 -1.233 0.000 0.944 897 K CA 0.803 56.385 56.287 -1.174 0.000 0.734 897 K CB -1.156 31.021 32.500 -0.537 0.000 1.437 897 K HN 0.329 nan 8.250 nan 0.000 0.454 898 D N -0.270 119.431 120.400 -1.165 0.000 2.756 898 D HA 0.281 4.925 4.640 0.006 0.000 0.226 898 D C -0.797 175.563 176.300 0.100 0.000 1.186 898 D CA -0.631 53.122 54.000 -0.411 0.000 0.845 898 D CB 1.892 42.582 40.800 -0.183 0.000 1.610 898 D HN -0.026 nan 8.370 nan 0.000 0.465 899 V N 1.416 121.579 119.914 0.416 0.000 2.387 899 V HA 0.638 4.761 4.120 0.006 0.000 0.260 899 V C 0.014 176.304 176.094 0.326 0.000 1.054 899 V CA -0.510 62.029 62.300 0.399 0.000 0.967 899 V CB -0.109 31.783 31.823 0.116 0.000 1.036 899 V HN 0.506 nan 8.190 nan 0.000 0.481 900 R N 2.316 123.001 120.500 0.309 0.000 2.686 900 R HA 0.696 5.040 4.340 0.006 0.000 0.286 900 R C -0.208 176.186 176.300 0.157 0.000 0.969 900 R CA -0.375 55.864 56.100 0.232 0.000 0.898 900 R CB 1.000 31.368 30.300 0.112 0.000 1.183 900 R HN 0.516 nan 8.270 nan 0.000 0.456 901 T N 1.563 116.140 114.554 0.039 0.000 2.906 901 T HA -0.001 4.353 4.350 0.006 0.000 0.320 901 T C 0.449 175.101 174.700 -0.079 0.000 1.088 901 T CA 0.103 62.113 62.100 -0.150 0.000 1.120 901 T CB 0.859 69.612 68.868 -0.192 0.000 1.000 901 T HN 0.850 nan 8.240 nan 0.000 0.550 902 E N -0.569 119.561 120.200 -0.117 0.000 2.905 902 E HA 0.139 4.492 4.350 0.006 0.000 0.197 902 E C 0.102 176.640 176.600 -0.104 0.000 1.016 902 E CA -0.035 56.320 56.400 -0.075 0.000 1.307 902 E CB 0.758 30.432 29.700 -0.044 0.000 1.255 902 E HN 0.852 nan 8.360 nan 0.000 0.527 903 C N 0.513 119.711 119.300 -0.171 0.000 3.090 903 C HA 0.811 5.275 4.460 0.006 0.000 0.305 903 C C -1.105 173.818 174.990 -0.111 0.000 1.292 903 C CA -1.053 57.859 59.018 -0.178 0.000 1.482 903 C CB 0.364 27.894 27.740 -0.349 0.000 1.897 903 C HN 0.579 nan 8.230 nan 0.000 0.469 904 N N -0.958 117.757 118.700 0.025 0.000 2.416 904 N HA 0.687 5.431 4.740 0.006 0.000 0.276 904 N C -1.374 174.255 175.510 0.199 0.000 1.261 904 N CA -0.636 52.459 53.050 0.076 0.000 0.790 904 N CB 1.154 39.522 38.487 -0.198 0.000 1.554 904 N HN 1.064 nan 8.380 nan 0.000 0.481 905 H N -1.029 118.009 119.070 -0.054 0.000 2.637 905 H HA 0.416 4.976 4.556 0.006 0.000 0.363 905 H C -1.182 173.965 175.328 -0.302 0.000 1.131 905 H CA -0.641 55.380 56.048 -0.045 0.000 1.183 905 H CB 1.048 30.758 29.762 -0.086 0.000 1.637 905 H HN 0.727 nan 8.280 nan 0.000 0.531 906 Y N 1.700 121.705 120.300 -0.491 0.000 2.527 906 Y HA 0.159 4.713 4.550 0.006 0.000 0.247 906 Y C 1.307 177.014 175.900 -0.323 0.000 1.138 906 Y CA -0.315 57.624 58.100 -0.268 0.000 1.228 906 Y CB 0.609 38.972 38.460 -0.161 0.000 1.252 906 Y HN 0.671 nan 8.280 nan 0.000 0.531 907 N N 2.111 120.482 118.700 -0.549 0.000 3.105 907 N HA -0.040 4.704 4.740 0.006 0.000 0.309 907 N C -0.980 174.535 175.510 0.009 0.000 1.291 907 N CA 0.224 53.144 53.050 -0.217 0.000 1.153 907 N CB -0.324 38.033 38.487 -0.217 0.000 1.447 907 N HN 0.220 nan 8.380 nan 0.000 0.555 908 N N 1.647 120.345 118.700 -0.003 0.000 2.480 908 N HA 0.116 4.859 4.740 0.006 0.000 0.289 908 N C 0.662 176.140 175.510 -0.054 0.000 1.073 908 N CA -0.469 52.572 53.050 -0.015 0.000 0.885 908 N CB 1.861 40.350 38.487 0.004 0.000 1.421 908 N HN 0.126 nan 8.380 nan 0.000 0.503 909 I N 1.785 122.296 120.570 -0.098 0.000 2.142 909 I HA 0.023 4.197 4.170 0.006 0.000 0.240 909 I C 0.658 176.699 176.117 -0.128 0.000 1.078 909 I CA 1.586 62.817 61.300 -0.116 0.000 1.343 909 I CB 0.243 38.144 38.000 -0.166 0.000 1.046 909 I HN 0.560 nan 8.210 nan 0.000 0.405 910 M N -0.271 119.221 119.600 -0.180 0.000 2.295 910 M HA 0.382 4.866 4.480 0.006 0.000 0.219 910 M C -1.015 175.105 176.300 -0.300 0.000 0.981 910 M CA -0.427 54.732 55.300 -0.235 0.000 1.019 910 M CB 1.259 33.675 32.600 -0.307 0.000 2.528 910 M HN 0.034 nan 8.290 nan 0.000 0.445 911 A N 4.955 127.641 122.820 -0.224 0.000 2.500 911 A HA 0.299 4.623 4.320 0.006 0.000 0.285 911 A C 0.477 177.852 177.584 -0.349 0.000 1.183 911 A CA 0.057 51.961 52.037 -0.222 0.000 0.851 911 A CB -0.349 18.575 19.000 -0.126 0.000 1.091 911 A HN 1.003 nan 8.150 nan 0.000 0.521 912 L N 1.626 122.519 121.223 -0.550 0.000 2.515 912 L HA 0.206 4.550 4.340 0.006 0.000 0.223 912 L C -0.485 175.829 176.870 -0.926 0.000 1.079 912 L CA 0.470 54.723 54.840 -0.978 0.000 0.857 912 L CB -0.119 40.975 42.059 -1.609 0.000 1.050 912 L HN 0.762 nan 8.230 nan 0.000 0.476 913 Y N -0.082 120.200 120.300 -0.030 0.000 2.479 913 Y HA 0.660 5.214 4.550 0.006 0.000 0.338 913 Y C -0.604 175.274 175.900 -0.037 0.000 1.055 913 Y CA -0.929 57.170 58.100 -0.002 0.000 1.023 913 Y CB 1.655 40.121 38.460 0.010 0.000 1.287 913 Y HN -0.239 nan 8.280 nan 0.000 0.447 914 L N 2.712 124.004 121.223 0.115 0.000 2.376 914 L HA 0.773 5.117 4.340 0.006 0.000 0.258 914 L C -0.821 176.083 176.870 0.056 0.000 1.013 914 L CA -1.150 53.700 54.840 0.017 0.000 0.822 914 L CB 2.599 44.634 42.059 -0.040 0.000 1.388 914 L HN 0.513 nan 8.230 nan 0.000 0.413 915 K N 0.189 120.602 120.400 0.021 0.000 2.579 915 K HA 0.655 4.979 4.320 0.006 0.000 0.284 915 K C -1.567 175.070 176.600 0.062 0.000 0.990 915 K CA -0.774 55.553 56.287 0.068 0.000 0.880 915 K CB 2.606 35.158 32.500 0.086 0.000 1.488 915 K HN 0.580 nan 8.250 nan 0.000 0.425 916 T N 1.599 116.222 114.554 0.115 0.000 2.949 916 T HA 0.203 4.557 4.350 0.006 0.000 0.300 916 T C -1.026 173.746 174.700 0.120 0.000 0.988 916 T CA -0.598 61.612 62.100 0.183 0.000 0.993 916 T CB 1.195 70.258 68.868 0.326 0.000 0.984 916 T HN 0.241 nan 8.240 nan 0.000 0.442 917 K N 2.734 123.202 120.400 0.115 0.000 2.267 917 K HA 0.348 4.672 4.320 0.006 0.000 0.282 917 K C 1.653 178.250 176.600 -0.005 0.000 1.078 917 K CA 0.117 56.432 56.287 0.047 0.000 0.903 917 K CB 0.676 33.228 32.500 0.086 0.000 1.111 917 K HN 0.833 nan 8.250 nan 0.000 0.475 918 G N 4.598 113.354 108.800 -0.072 0.000 3.013 918 G HA2 -0.408 3.555 3.960 0.006 0.000 0.294 918 G HA3 -0.408 3.555 3.960 0.006 0.000 0.294 918 G C 0.641 175.359 174.900 -0.302 0.000 1.131 918 G CA 1.476 46.476 45.100 -0.168 0.000 0.916 918 G HN 0.790 nan 8.290 nan 0.000 0.700 919 D N -0.262 119.968 120.400 -0.283 0.000 2.341 919 D HA 0.153 4.796 4.640 0.006 0.000 0.235 919 D C 0.824 176.980 176.300 -0.241 0.000 1.265 919 D CA -0.403 53.318 54.000 -0.466 0.000 0.888 919 D CB -0.127 40.528 40.800 -0.242 0.000 1.192 919 D HN 0.121 nan 8.370 nan 0.000 0.462 920 F N 0.717 120.818 119.950 0.251 0.000 2.730 920 F HA 0.251 4.780 4.527 0.003 0.000 0.333 920 F C 0.169 176.329 175.800 0.601 0.000 1.215 920 F CA -0.031 58.370 58.000 0.668 0.000 1.388 920 F CB -0.945 38.420 39.000 0.609 0.000 1.418 920 F HN 0.012 nan 8.300 nan 0.000 0.576 921 I N 1.338 122.227 120.570 0.531 0.000 2.465 921 I HA 0.415 4.588 4.170 0.006 0.000 0.291 921 I C -0.673 175.520 176.117 0.126 0.000 1.014 921 I CA -0.790 60.659 61.300 0.249 0.000 1.093 921 I CB 1.651 39.753 38.000 0.169 0.000 1.267 921 I HN -0.084 nan 8.210 nan 0.000 0.431 922 L N 6.766 127.930 121.223 -0.098 0.000 2.250 922 L HA 0.782 5.125 4.340 0.006 0.000 0.252 922 L C -0.638 176.040 176.870 -0.321 0.000 1.054 922 L CA -1.232 53.473 54.840 -0.224 0.000 0.856 922 L CB 1.680 43.501 42.059 -0.397 0.000 1.443 922 L HN 0.314 nan 8.230 nan 0.000 0.427 923 V N -0.799 118.930 119.914 -0.308 0.000 2.851 923 V HA 0.886 5.009 4.120 0.006 0.000 0.290 923 V C -0.774 175.193 176.094 -0.211 0.000 1.330 923 V CA 0.752 62.853 62.300 -0.332 0.000 0.944 923 V CB 1.334 32.918 31.823 -0.398 0.000 1.090 923 V HN 1.169 nan 8.190 nan 0.000 0.436 924 G N 4.119 112.806 108.800 -0.189 0.000 2.320 924 G HA2 0.596 4.560 3.960 0.006 0.000 0.296 924 G HA3 0.596 4.560 3.960 0.006 0.000 0.296 924 G C -1.723 173.131 174.900 -0.076 0.000 1.306 924 G CA 0.406 45.461 45.100 -0.075 0.000 0.836 924 G HN 1.188 nan 8.290 nan 0.000 0.517 925 D N -2.094 118.299 120.400 -0.012 0.000 3.138 925 D HA 0.019 4.662 4.640 0.006 0.000 0.293 925 D C 0.395 176.652 176.300 -0.072 0.000 1.109 925 D CA -0.058 53.887 54.000 -0.091 0.000 0.720 925 D CB 1.332 42.051 40.800 -0.135 0.000 1.336 925 D HN 0.798 nan 8.370 nan 0.000 0.462 926 L N 2.282 123.392 121.223 -0.188 0.000 2.062 926 L HA 0.255 4.598 4.340 0.006 0.000 0.202 926 L C 2.189 178.858 176.870 -0.336 0.000 1.079 926 L CA 2.073 56.787 54.840 -0.209 0.000 0.755 926 L CB -0.330 41.554 42.059 -0.291 0.000 0.913 926 L HN 0.639 nan 8.230 nan 0.000 0.445 927 M N -1.216 118.043 119.600 -0.568 0.000 2.313 927 M HA 0.361 4.845 4.480 0.006 0.000 0.273 927 M C -0.503 175.411 176.300 -0.643 0.000 1.049 927 M CA 0.049 54.709 55.300 -1.067 0.000 1.004 927 M CB 0.487 32.069 32.600 -1.697 0.000 1.461 927 M HN 0.066 nan 8.290 nan 0.000 0.514 928 R N 2.015 122.295 120.500 -0.368 0.000 2.639 928 R HA 0.256 4.599 4.340 0.006 0.000 0.273 928 R C -0.259 175.926 176.300 -0.191 0.000 1.732 928 R CA -0.187 55.760 56.100 -0.256 0.000 1.586 928 R CB 0.778 30.935 30.300 -0.238 0.000 1.263 928 R HN 0.418 nan 8.270 nan 0.000 0.615 929 S N 1.156 116.781 115.700 -0.124 0.000 3.712 929 S HA -0.011 4.463 4.470 0.006 0.000 0.442 929 S C 0.823 175.430 174.600 0.012 0.000 1.086 929 S CA 0.164 58.361 58.200 -0.006 0.000 1.356 929 S CB -0.568 62.675 63.200 0.072 0.000 0.876 929 S HN 1.116 nan 8.310 nan 0.000 0.547 930 V N 0.835 120.749 119.914 0.000 0.000 3.585 930 V HA -0.180 3.944 4.120 0.006 0.000 0.489 930 V C -0.805 175.208 176.094 -0.135 0.000 0.682 930 V CA 0.456 62.731 62.300 -0.042 0.000 2.013 930 V CB -2.237 29.605 31.823 0.032 0.000 2.442 930 V HN 0.838 nan 8.190 nan 0.000 0.504 931 L N 5.955 127.062 121.223 -0.194 0.000 2.352 931 L HA 0.979 5.323 4.340 0.006 0.000 0.269 931 L C 0.003 176.690 176.870 -0.304 0.000 1.034 931 L CA -0.522 54.175 54.840 -0.240 0.000 0.806 931 L CB 1.482 43.391 42.059 -0.249 0.000 1.244 931 L HN 0.963 nan 8.230 nan 0.000 0.447 932 L N 1.839 122.890 121.223 -0.286 0.000 2.362 932 L HA 0.846 5.190 4.340 0.006 0.000 0.271 932 L C -1.525 175.197 176.870 -0.248 0.000 1.002 932 L CA -0.262 54.377 54.840 -0.335 0.000 0.818 932 L CB 1.657 43.552 42.059 -0.273 0.000 1.298 932 L HN 0.398 nan 8.230 nan 0.000 0.420 933 L N 3.941 125.012 121.223 -0.253 0.000 2.466 933 L HA 0.910 5.254 4.340 0.006 0.000 0.258 933 L C -0.579 176.250 176.870 -0.068 0.000 0.973 933 L CA -0.139 54.571 54.840 -0.217 0.000 0.826 933 L CB 2.006 43.776 42.059 -0.482 0.000 1.372 933 L HN 0.802 nan 8.230 nan 0.000 0.409 934 A N 1.086 123.954 122.820 0.081 0.000 2.322 934 A HA 0.792 5.116 4.320 0.006 0.000 0.327 934 A C -1.825 176.048 177.584 0.481 0.000 1.134 934 A CA -0.412 51.786 52.037 0.269 0.000 0.831 934 A CB 1.152 20.301 19.000 0.250 0.000 1.288 934 A HN 0.651 nan 8.150 nan 0.000 0.472 935 Y N 0.699 121.282 120.300 0.473 0.000 2.377 935 Y HA 0.610 5.164 4.550 0.006 0.000 0.339 935 Y C -0.694 175.279 175.900 0.122 0.000 1.011 935 Y CA -0.922 57.417 58.100 0.397 0.000 1.093 935 Y CB 1.573 40.349 38.460 0.528 0.000 1.201 935 Y HN 0.404 nan 8.280 nan 0.000 0.455 936 K N 7.717 127.574 120.400 -0.906 0.000 2.404 936 K HA 0.314 4.637 4.320 0.006 0.000 0.257 936 K C -2.685 173.377 176.600 -0.897 0.000 1.026 936 K CA -2.548 53.346 56.287 -0.656 0.000 0.951 936 K CB 1.218 33.522 32.500 -0.326 0.000 1.203 936 K HN 0.484 nan 8.250 nan 0.000 0.446 937 P HA -0.015 nan 4.420 nan 0.000 0.271 937 P C 0.172 177.313 177.300 -0.266 0.000 1.601 937 P CA 0.578 63.416 63.100 -0.435 0.000 0.856 937 P CB -0.013 31.469 31.700 -0.363 0.000 1.820 938 M N 0.234 119.662 119.600 -0.286 0.000 2.318 938 M HA 0.203 4.687 4.480 0.006 0.000 0.215 938 M C 0.137 176.336 176.300 -0.169 0.000 0.833 938 M CA -0.262 54.932 55.300 -0.176 0.000 1.867 938 M CB 0.540 33.044 32.600 -0.160 0.000 1.128 938 M HN -0.219 nan 8.290 nan 0.000 0.906 939 E N 1.244 121.359 120.200 -0.142 0.000 2.902 939 E HA 0.185 4.538 4.350 0.006 0.000 0.231 939 E C 0.407 176.907 176.600 -0.167 0.000 1.422 939 E CA 0.367 56.696 56.400 -0.119 0.000 1.418 939 E CB -1.689 27.962 29.700 -0.081 0.000 1.323 939 E HN 0.860 nan 8.360 nan 0.000 0.428 940 G N 1.668 110.323 108.800 -0.242 0.000 2.332 940 G HA2 -0.350 3.614 3.960 0.006 0.000 0.277 940 G HA3 -0.350 3.614 3.960 0.006 0.000 0.277 940 G C -0.491 174.208 174.900 -0.335 0.000 0.884 940 G CA 0.900 45.816 45.100 -0.307 0.000 1.251 940 G HN 0.629 nan 8.290 nan 0.000 0.462 941 N N -1.219 117.170 118.700 -0.518 0.000 2.629 941 N HA 0.666 5.409 4.740 0.006 0.000 0.279 941 N C -0.842 174.513 175.510 -0.257 0.000 1.344 941 N CA -1.059 51.797 53.050 -0.324 0.000 0.789 941 N CB 1.331 39.730 38.487 -0.147 0.000 1.508 941 N HN 0.028 nan 8.380 nan 0.000 0.516 942 F N 1.005 120.971 119.950 0.026 0.000 2.411 942 F HA 0.254 4.784 4.527 0.005 0.000 0.352 942 F C 0.453 176.283 175.800 0.050 0.000 1.123 942 F CA -0.650 57.383 58.000 0.055 0.000 1.044 942 F CB 1.462 40.512 39.000 0.083 0.000 1.135 942 F HN 0.290 nan 8.300 nan 0.000 0.461 943 E N 4.351 124.705 120.200 0.256 0.000 2.113 943 E HA 0.064 4.418 4.350 0.006 0.000 0.273 943 E C -0.635 176.040 176.600 0.124 0.000 0.924 943 E CA -0.573 55.922 56.400 0.157 0.000 0.764 943 E CB 1.104 30.866 29.700 0.104 0.000 1.104 943 E HN 0.661 nan 8.360 nan 0.000 0.406 944 E N 5.664 125.938 120.200 0.122 0.000 1.985 944 E HA 0.001 4.354 4.350 0.006 0.000 0.268 944 E C 0.535 177.168 176.600 0.055 0.000 1.219 944 E CA -0.062 56.376 56.400 0.063 0.000 0.942 944 E CB 0.219 30.005 29.700 0.143 0.000 1.045 944 E HN 0.679 nan 8.360 nan 0.000 0.413 945 I N 3.687 124.277 120.570 0.033 0.000 2.286 945 I HA -0.107 4.066 4.170 0.006 0.000 0.248 945 I C 0.856 177.014 176.117 0.068 0.000 1.115 945 I CA 1.245 62.581 61.300 0.058 0.000 1.392 945 I CB 0.011 38.050 38.000 0.064 0.000 1.065 945 I HN 0.578 nan 8.210 nan 0.000 0.418 946 A N -0.052 122.787 122.820 0.032 0.000 2.590 946 A HA 0.607 4.931 4.320 0.006 0.000 0.296 946 A C -0.432 177.124 177.584 -0.046 0.000 1.050 946 A CA -0.896 51.171 52.037 0.050 0.000 0.697 946 A CB 0.914 19.976 19.000 0.104 0.000 1.277 946 A HN 0.177 nan 8.150 nan 0.000 0.411 947 R N 0.645 121.080 120.500 -0.107 0.000 3.173 947 R HA 0.897 5.240 4.340 0.006 0.000 0.225 947 R C -1.410 174.756 176.300 -0.224 0.000 1.587 947 R CA -0.537 55.398 56.100 -0.274 0.000 1.033 947 R CB 0.847 30.823 30.300 -0.540 0.000 1.804 947 R HN 0.544 nan 8.270 nan 0.000 0.526 948 D N -0.563 119.636 120.400 -0.335 0.000 2.863 948 D HA 0.240 4.884 4.640 0.006 0.000 0.245 948 D C -1.135 175.003 176.300 -0.270 0.000 1.211 948 D CA -0.674 53.239 54.000 -0.145 0.000 0.888 948 D CB 1.363 42.141 40.800 -0.038 0.000 1.483 948 D HN 0.472 nan 8.370 nan 0.000 0.533 949 F N 1.911 121.784 119.950 -0.127 0.000 2.660 949 F HA 0.304 4.834 4.527 0.006 0.000 0.297 949 F C 0.658 176.403 175.800 -0.092 0.000 1.132 949 F CA -0.469 57.459 58.000 -0.120 0.000 1.372 949 F CB -0.247 38.679 39.000 -0.123 0.000 1.003 949 F HN 0.086 nan 8.300 nan 0.000 0.524 950 N N 1.279 119.964 118.700 -0.025 0.000 2.493 950 N HA 0.244 4.987 4.740 0.006 0.000 0.275 950 N C -2.308 173.152 175.510 -0.084 0.000 1.186 950 N CA -1.516 51.492 53.050 -0.071 0.000 0.978 950 N CB 0.599 38.988 38.487 -0.163 0.000 1.184 950 N HN -0.202 nan 8.380 nan 0.000 0.487 951 P HA 0.178 nan 4.420 nan 0.000 0.221 951 P C -1.230 176.090 177.300 0.032 0.000 1.854 951 P CA -0.312 62.776 63.100 -0.019 0.000 0.985 951 P CB -0.156 31.574 31.700 0.050 0.000 1.711 952 N N 0.936 119.621 118.700 -0.024 0.000 2.416 952 N HA 0.001 4.744 4.740 0.006 0.000 0.265 952 N C -0.472 175.096 175.510 0.098 0.000 1.195 952 N CA 0.049 53.139 53.050 0.067 0.000 0.943 952 N CB 0.305 38.771 38.487 -0.036 0.000 1.115 952 N HN 0.185 nan 8.380 nan 0.000 0.481 953 W N 3.829 125.131 121.300 0.003 0.000 2.510 953 W HA 0.171 4.835 4.660 0.006 0.000 0.388 953 W C 0.442 176.981 176.519 0.034 0.000 1.092 953 W CA -0.474 56.882 57.345 0.017 0.000 1.562 953 W CB -0.136 29.325 29.460 0.002 0.000 1.603 953 W HN 0.199 nan 8.180 nan 0.000 0.396 954 M N 2.006 121.736 119.600 0.217 0.000 2.245 954 M HA 0.043 4.527 4.480 0.006 0.000 0.330 954 M C 1.351 177.746 176.300 0.158 0.000 1.098 954 M CA 0.509 55.914 55.300 0.175 0.000 1.172 954 M CB 0.562 33.291 32.600 0.214 0.000 1.467 954 M HN 0.498 nan 8.290 nan 0.000 0.454 955 S N -0.630 114.979 115.700 -0.152 0.000 2.769 955 S HA 0.596 5.070 4.470 0.006 0.000 0.258 955 S C 0.333 174.454 174.600 -0.799 0.000 1.080 955 S CA 0.177 58.201 58.200 -0.292 0.000 0.943 955 S CB 0.544 63.404 63.200 -0.567 0.000 0.893 955 S HN 0.876 nan 8.310 nan 0.000 0.490 956 A N 0.240 122.654 122.820 -0.677 0.000 2.609 956 A HA 0.848 5.172 4.320 0.006 0.000 0.291 956 A C -1.624 175.890 177.584 -0.116 0.000 1.096 956 A CA -0.725 50.988 52.037 -0.540 0.000 0.684 956 A CB 1.838 20.539 19.000 -0.497 0.000 1.282 956 A HN 0.789 nan 8.150 nan 0.000 0.412 957 V N 0.547 120.535 119.914 0.123 0.000 2.851 957 V HA 0.613 4.736 4.120 0.006 0.000 0.290 957 V C -1.465 174.614 176.094 -0.026 0.000 1.330 957 V CA -0.201 62.089 62.300 -0.017 0.000 0.944 957 V CB 2.041 33.858 31.823 -0.010 0.000 1.090 957 V HN 1.174 nan 8.190 nan 0.000 0.436 958 E N 3.764 123.798 120.200 -0.276 0.000 2.383 958 E HA 0.652 5.006 4.350 0.006 0.000 0.275 958 E C -1.568 175.002 176.600 -0.049 0.000 0.918 958 E CA -0.520 55.770 56.400 -0.185 0.000 0.764 958 E CB 2.094 31.502 29.700 -0.487 0.000 1.252 958 E HN 0.571 nan 8.360 nan 0.000 0.449 959 I N 5.304 125.956 120.570 0.136 0.000 2.315 959 I HA 0.180 4.353 4.170 0.006 0.000 0.291 959 I C 0.748 176.988 176.117 0.205 0.000 1.006 959 I CA -0.181 61.273 61.300 0.256 0.000 1.265 959 I CB 0.840 39.008 38.000 0.280 0.000 1.387 959 I HN 0.575 nan 8.210 nan 0.000 0.475 960 L N 4.516 125.778 121.223 0.065 0.000 2.168 960 L HA 0.175 4.519 4.340 0.006 0.000 0.203 960 L C 0.134 177.014 176.870 0.017 0.000 1.078 960 L CA 0.430 55.296 54.840 0.045 0.000 0.780 960 L CB -0.400 41.605 42.059 -0.091 0.000 0.939 960 L HN 0.688 nan 8.230 nan 0.000 0.451 961 D N -3.276 117.074 120.400 -0.084 0.000 2.759 961 D HA 0.094 4.738 4.640 0.006 0.000 0.321 961 D C -0.261 175.963 176.300 -0.127 0.000 1.267 961 D CA -0.638 53.309 54.000 -0.089 0.000 0.933 961 D CB 0.306 41.040 40.800 -0.110 0.000 1.431 961 D HN -0.217 nan 8.370 nan 0.000 0.504 962 D N -0.850 119.500 120.400 -0.083 0.000 2.311 962 D HA -0.051 4.593 4.640 0.006 0.000 0.212 962 D C 0.472 176.700 176.300 -0.120 0.000 0.972 962 D CA 1.256 55.241 54.000 -0.025 0.000 0.887 962 D CB 0.114 40.905 40.800 -0.014 0.000 0.915 962 D HN 0.352 nan 8.370 nan 0.000 0.497 963 D N -0.986 119.209 120.400 -0.342 0.000 2.482 963 D HA 0.038 4.681 4.640 0.006 0.000 0.251 963 D C 0.076 175.772 176.300 -1.006 0.000 1.073 963 D CA 0.010 53.719 54.000 -0.485 0.000 0.892 963 D CB 0.224 40.865 40.800 -0.264 0.000 1.202 963 D HN 0.009 nan 8.370 nan 0.000 0.496 964 N N 0.725 118.896 118.700 -0.881 0.000 2.419 964 N HA 0.262 5.005 4.740 0.006 0.000 0.264 964 N C -1.101 173.908 175.510 -0.835 0.000 1.031 964 N CA -0.028 52.558 53.050 -0.774 0.000 0.951 964 N CB 0.565 38.806 38.487 -0.411 0.000 1.101 964 N HN -0.062 nan 8.380 nan 0.000 0.488 965 F N 2.115 122.004 119.950 -0.102 0.000 2.445 965 F HA 0.385 4.915 4.527 0.005 0.000 0.348 965 F C 0.427 176.096 175.800 -0.217 0.000 1.125 965 F CA -0.883 57.038 58.000 -0.132 0.000 0.983 965 F CB 1.436 40.388 39.000 -0.079 0.000 1.198 965 F HN 0.066 nan 8.300 nan 0.000 0.436 966 L N 2.883 124.001 121.223 -0.175 0.000 2.350 966 L HA 0.810 5.154 4.340 0.006 0.000 0.275 966 L C 0.187 176.712 176.870 -0.575 0.000 1.099 966 L CA -0.154 54.433 54.840 -0.423 0.000 0.808 966 L CB 1.338 43.023 42.059 -0.622 0.000 1.149 966 L HN 0.812 nan 8.230 nan 0.000 0.442 967 G N 2.442 110.763 108.800 -0.799 0.000 2.667 967 G HA2 0.701 4.665 3.960 0.006 0.000 0.298 967 G HA3 0.701 4.665 3.960 0.006 0.000 0.298 967 G C -1.721 172.830 174.900 -0.582 0.000 1.377 967 G CA -0.307 44.319 45.100 -0.791 0.000 0.964 967 G HN 0.831 nan 8.290 nan 0.000 0.493 968 A N 0.450 123.160 122.820 -0.183 0.000 2.337 968 A HA 0.915 5.239 4.320 0.006 0.000 0.331 968 A C 0.348 177.834 177.584 -0.164 0.000 1.137 968 A CA -0.248 51.679 52.037 -0.183 0.000 0.807 968 A CB 2.049 20.886 19.000 -0.272 0.000 1.250 968 A HN 0.862 nan 8.150 nan 0.000 0.468 969 E N 0.265 120.351 120.200 -0.189 0.000 4.003 969 E HA 0.173 4.527 4.350 0.006 0.000 0.198 969 E C -0.719 175.690 176.600 -0.318 0.000 1.192 969 E CA 0.014 56.335 56.400 -0.131 0.000 0.769 969 E CB 0.079 29.861 29.700 0.137 0.000 2.961 969 E HN 0.462 nan 8.360 nan 0.000 0.546 970 N N -0.800 117.737 118.700 -0.271 0.000 2.082 970 N HA 0.342 5.085 4.740 0.006 0.000 0.228 970 N C 0.217 175.324 175.510 -0.671 0.000 1.341 970 N CA 0.727 53.551 53.050 -0.375 0.000 0.873 970 N CB 1.502 39.918 38.487 -0.117 0.000 1.137 970 N HN 0.337 nan 8.380 nan 0.000 0.505 971 A N -0.356 122.075 122.820 -0.648 0.000 2.348 971 A HA 0.407 4.731 4.320 0.006 0.000 0.224 971 A C -0.114 177.022 177.584 -0.747 0.000 1.227 971 A CA -0.090 51.522 52.037 -0.707 0.000 0.885 971 A CB -0.476 18.273 19.000 -0.418 0.000 0.933 971 A HN 0.239 nan 8.150 nan 0.000 0.506 972 F N -1.234 118.529 119.950 -0.312 0.000 2.800 972 F HA -0.152 4.379 4.527 0.006 0.000 0.295 972 F C -0.190 175.210 175.800 -0.666 0.000 0.804 972 F CA -0.253 57.474 58.000 -0.454 0.000 1.499 972 F CB -1.963 36.773 39.000 -0.441 0.000 1.634 972 F HN 0.247 nan 8.300 nan 0.000 0.460 973 N N 1.680 120.119 118.700 -0.435 0.000 2.361 973 N HA 0.733 5.477 4.740 0.006 0.000 0.302 973 N C -0.340 175.045 175.510 -0.208 0.000 1.074 973 N CA -0.521 52.251 53.050 -0.463 0.000 0.850 973 N CB 2.274 40.249 38.487 -0.854 0.000 1.228 973 N HN 0.132 nan 8.380 nan 0.000 0.491 974 L N 1.561 122.696 121.223 -0.148 0.000 2.352 974 L HA 0.639 4.983 4.340 0.006 0.000 0.269 974 L C -0.605 176.373 176.870 0.180 0.000 1.034 974 L CA -0.904 53.868 54.840 -0.114 0.000 0.806 974 L CB 0.705 42.561 42.059 -0.339 0.000 1.244 974 L HN 0.562 nan 8.230 nan 0.000 0.447 975 F N -0.319 119.702 119.950 0.118 0.000 2.688 975 F HA 0.684 5.215 4.527 0.006 0.000 0.308 975 F C -1.554 174.368 175.800 0.204 0.000 1.117 975 F CA -1.007 57.137 58.000 0.239 0.000 0.976 975 F CB 0.835 39.976 39.000 0.234 0.000 1.291 975 F HN 0.009 nan 8.300 nan 0.000 0.439 976 V N 1.714 121.848 119.914 0.367 0.000 2.667 976 V HA 0.645 4.769 4.120 0.006 0.000 0.308 976 V C -0.573 175.648 176.094 0.211 0.000 1.048 976 V CA -0.615 61.765 62.300 0.134 0.000 0.928 976 V CB 1.783 33.598 31.823 -0.015 0.000 1.004 976 V HN 1.115 nan 8.190 nan 0.000 0.444 977 C N 3.456 122.848 119.300 0.155 0.000 2.561 977 C HA 0.815 5.278 4.460 0.006 0.000 0.319 977 C C -0.268 174.741 174.990 0.031 0.000 1.198 977 C CA -0.605 58.520 59.018 0.179 0.000 1.665 977 C CB 1.441 29.375 27.740 0.324 0.000 2.258 977 C HN 1.031 nan 8.230 nan 0.000 0.493 978 Q N 1.951 121.757 119.800 0.011 0.000 2.553 978 Q HA 0.537 4.880 4.340 0.006 0.000 0.293 978 Q C -1.528 174.491 176.000 0.031 0.000 1.038 978 Q CA -0.931 54.828 55.803 -0.072 0.000 0.777 978 Q CB 1.361 29.983 28.738 -0.193 0.000 1.487 978 Q HN 0.674 nan 8.270 nan 0.000 0.426 979 K N 0.899 121.318 120.400 0.031 0.000 2.350 979 K HA 0.160 4.484 4.320 0.006 0.000 0.279 979 K C -0.831 175.790 176.600 0.034 0.000 1.027 979 K CA -0.410 55.922 56.287 0.075 0.000 0.969 979 K CB 0.653 33.209 32.500 0.094 0.000 0.954 979 K HN 0.629 nan 8.250 nan 0.000 0.474 980 D N 2.054 122.486 120.400 0.054 0.000 2.352 980 D HA -0.001 4.643 4.640 0.006 0.000 0.245 980 D C -0.691 175.623 176.300 0.023 0.000 1.224 980 D CA -0.106 53.914 54.000 0.032 0.000 0.879 980 D CB 0.454 41.283 40.800 0.048 0.000 1.057 980 D HN 0.380 nan 8.370 nan 0.000 0.491 981 S N 2.693 118.396 115.700 0.006 0.000 2.670 981 S HA 0.446 4.920 4.470 0.006 0.000 0.328 981 S C -0.224 174.378 174.600 0.004 0.000 1.179 981 S CA -0.351 57.852 58.200 0.004 0.000 1.194 981 S CB -0.353 62.844 63.200 -0.005 0.000 1.359 981 S HN 0.547 nan 8.310 nan 0.000 0.555 982 A N 2.654 125.479 122.820 0.008 0.000 2.488 982 A HA 0.813 5.137 4.320 0.006 0.000 0.298 982 A C 0.062 177.647 177.584 0.002 0.000 1.044 982 A CA -0.683 51.355 52.037 0.002 0.000 0.693 982 A CB 0.919 19.918 19.000 -0.002 0.000 1.272 982 A HN 0.809 nan 8.150 nan 0.000 0.402 983 A N 1.686 124.505 122.820 -0.003 0.000 2.521 983 A HA 0.503 4.826 4.320 0.006 0.000 0.237 983 A C 1.317 178.896 177.584 -0.009 0.000 1.087 983 A CA 1.382 53.416 52.037 -0.004 0.000 0.777 983 A CB -0.603 18.393 19.000 -0.007 0.000 1.035 983 A HN 2.764 nan 8.150 nan 0.000 0.510 984 T N -2.003 112.546 114.554 -0.008 0.000 4.141 984 T HA -0.206 4.147 4.350 0.006 0.000 0.352 984 T C 0.397 175.092 174.700 -0.008 0.000 0.756 984 T CA 1.687 63.779 62.100 -0.013 0.000 1.958 984 T CB -2.877 65.975 68.868 -0.026 0.000 1.848 984 T HN 2.485 nan 8.240 nan 0.000 0.872 985 T N -1.891 112.666 114.554 0.004 0.000 3.802 985 T HA 0.369 4.722 4.350 0.006 0.000 0.243 985 T C 0.292 175.008 174.700 0.026 0.000 0.934 985 T CA 0.481 62.591 62.100 0.016 0.000 0.931 985 T CB -0.353 68.527 68.868 0.021 0.000 1.167 985 T HN 0.533 nan 8.240 nan 0.000 0.655 986 D N -0.766 119.646 120.400 0.021 0.000 2.712 986 D HA 0.271 4.915 4.640 0.006 0.000 0.300 986 D C 0.751 177.071 176.300 0.032 0.000 1.521 986 D CA -0.156 53.865 54.000 0.034 0.000 0.790 986 D CB 0.755 41.570 40.800 0.026 0.000 1.155 986 D HN 0.516 nan 8.370 nan 0.000 0.456 987 E N -0.274 119.934 120.200 0.013 0.000 3.541 987 E HA 0.108 4.462 4.350 0.006 0.000 0.275 987 E C 0.835 177.382 176.600 -0.089 0.000 1.217 987 E CA 0.153 56.522 56.400 -0.052 0.000 1.883 987 E CB -0.048 29.583 29.700 -0.114 0.000 1.954 987 E HN -0.038 nan 8.360 nan 0.000 0.889 988 E N 0.621 120.761 120.200 -0.100 0.000 2.219 988 E HA -0.245 4.109 4.350 0.006 0.000 0.198 988 E C 1.873 178.499 176.600 0.043 0.000 0.998 988 E CA 1.234 57.598 56.400 -0.059 0.000 0.818 988 E CB -0.016 29.657 29.700 -0.046 0.000 0.741 988 E HN -0.027 nan 8.360 nan 0.000 0.477 989 R N 1.233 121.767 120.500 0.058 0.000 2.066 989 R HA -0.137 4.207 4.340 0.006 0.000 0.232 989 R C 2.085 178.480 176.300 0.158 0.000 1.131 989 R CA 1.470 57.626 56.100 0.093 0.000 0.955 989 R CB -0.307 30.037 30.300 0.072 0.000 0.851 989 R HN -0.036 nan 8.270 nan 0.000 0.432 990 Q N -0.132 119.796 119.800 0.213 0.000 2.500 990 Q HA -0.029 4.314 4.340 0.006 0.000 0.213 990 Q C -0.555 175.700 176.000 0.424 0.000 0.974 990 Q CA 1.084 57.069 55.803 0.303 0.000 0.918 990 Q CB 0.038 28.986 28.738 0.350 0.000 0.980 990 Q HN 0.488 nan 8.270 nan 0.000 0.505 991 H N -0.077 119.099 119.070 0.176 0.000 2.646 991 H HA 0.303 4.863 4.556 0.006 0.000 0.328 991 H C -1.046 174.377 175.328 0.157 0.000 0.998 991 H CA -1.149 55.043 56.048 0.240 0.000 1.225 991 H CB 0.967 30.802 29.762 0.122 0.000 1.457 991 H HN -0.005 nan 8.280 nan 0.000 0.505 992 L N 1.374 122.737 121.223 0.234 0.000 2.325 992 L HA 0.449 4.793 4.340 0.006 0.000 0.279 992 L C -0.069 176.889 176.870 0.147 0.000 1.054 992 L CA -1.014 53.928 54.840 0.171 0.000 0.804 992 L CB 0.779 42.947 42.059 0.180 0.000 1.200 992 L HN 0.410 nan 8.230 nan 0.000 0.436 993 Q N 1.161 121.024 119.800 0.104 0.000 2.290 993 Q HA 0.333 4.677 4.340 0.006 0.000 0.259 993 Q C -0.837 175.200 176.000 0.061 0.000 0.941 993 Q CA -0.236 55.609 55.803 0.071 0.000 0.912 993 Q CB 1.538 30.301 28.738 0.041 0.000 1.244 993 Q HN 0.548 nan 8.270 nan 0.000 0.441 994 E N 2.132 122.361 120.200 0.048 0.000 2.311 994 E HA -0.032 4.322 4.350 0.006 0.000 0.247 994 E C 0.186 176.810 176.600 0.040 0.000 1.215 994 E CA 0.149 56.586 56.400 0.062 0.000 0.957 994 E CB 0.041 29.709 29.700 -0.053 0.000 1.020 994 E HN 0.460 nan 8.360 nan 0.000 0.461 995 V N 0.363 120.302 119.914 0.041 0.000 3.214 995 V HA 0.479 4.602 4.120 0.006 0.000 0.330 995 V C 0.441 176.524 176.094 -0.018 0.000 1.403 995 V CA 0.044 62.332 62.300 -0.020 0.000 1.143 995 V CB 0.646 32.410 31.823 -0.098 0.000 1.098 995 V HN 0.453 nan 8.190 nan 0.000 0.463 996 G N 0.794 109.658 108.800 0.107 0.000 2.728 996 G HA2 0.647 4.611 3.960 0.006 0.000 0.294 996 G HA3 0.647 4.611 3.960 0.006 0.000 0.294 996 G C -1.534 173.671 174.900 0.508 0.000 1.398 996 G CA -0.572 44.667 45.100 0.233 0.000 1.183 996 G HN 0.240 nan 8.290 nan 0.000 0.578 997 L N 1.128 122.677 121.223 0.544 0.000 2.327 997 L HA 0.867 5.211 4.340 0.006 0.000 0.258 997 L C -1.199 175.959 176.870 0.480 0.000 1.024 997 L CA -1.177 53.955 54.840 0.487 0.000 0.825 997 L CB 2.749 44.975 42.059 0.279 0.000 1.386 997 L HN 0.561 nan 8.230 nan 0.000 0.417 998 F N 0.210 120.209 119.950 0.082 0.000 2.654 998 F HA 0.215 4.746 4.527 0.007 0.000 0.315 998 F C -1.239 174.408 175.800 -0.254 0.000 1.042 998 F CA -0.600 57.269 58.000 -0.218 0.000 1.048 998 F CB 0.921 39.423 39.000 -0.829 0.000 1.287 998 F HN 0.518 nan 8.300 nan 0.000 0.501 999 H N 6.858 125.314 119.070 -1.022 0.000 2.597 999 H HA 0.421 4.980 4.556 0.006 0.000 0.303 999 H C 0.197 174.738 175.328 -1.311 0.000 1.057 999 H CA -0.343 55.133 56.048 -0.954 0.000 1.261 999 H CB 1.126 30.406 29.762 -0.805 0.000 1.397 999 H HN 0.777 nan 8.280 nan 0.000 0.461 1000 L N 3.948 124.593 121.223 -0.962 0.000 2.068 1000 L HA 0.107 4.451 4.340 0.006 0.000 0.204 1000 L C 1.265 177.878 176.870 -0.429 0.000 1.076 1000 L CA 1.825 56.368 54.840 -0.496 0.000 0.753 1000 L CB -0.304 41.615 42.059 -0.233 0.000 0.910 1000 L HN 1.078 nan 8.230 nan 0.000 0.439 1001 G N -0.352 108.115 108.800 -0.556 0.000 2.168 1001 G HA2 -0.152 3.812 3.960 0.006 0.000 0.197 1001 G HA3 -0.152 3.812 3.960 0.006 0.000 0.197 1001 G C -0.058 174.699 174.900 -0.237 0.000 0.997 1001 G CA -0.169 44.828 45.100 -0.173 0.000 0.658 1001 G HN 0.393 nan 8.290 nan 0.000 0.513 1002 E N -1.062 118.995 120.200 -0.238 0.000 2.383 1002 E HA 0.512 4.866 4.350 0.006 0.000 0.275 1002 E C -1.453 175.183 176.600 0.059 0.000 0.918 1002 E CA -0.932 55.377 56.400 -0.151 0.000 0.764 1002 E CB 1.887 31.593 29.700 0.010 0.000 1.252 1002 E HN 0.112 nan 8.360 nan 0.000 0.449 1003 F N 1.996 121.962 119.950 0.027 0.000 2.390 1003 F HA 0.190 4.721 4.527 0.006 0.000 0.361 1003 F C -0.232 175.551 175.800 -0.028 0.000 1.124 1003 F CA -0.546 57.537 58.000 0.137 0.000 1.149 1003 F CB 0.575 39.690 39.000 0.192 0.000 1.160 1003 F HN 0.058 nan 8.300 nan 0.000 0.501 1004 V N 7.500 127.235 119.914 -0.298 0.000 2.389 1004 V HA 0.048 4.172 4.120 0.006 0.000 0.264 1004 V C 0.866 176.782 176.094 -0.296 0.000 1.049 1004 V CA -0.398 61.704 62.300 -0.330 0.000 0.932 1004 V CB 0.591 32.001 31.823 -0.688 0.000 1.011 1004 V HN 0.748 nan 8.190 nan 0.000 0.475 1005 N N 2.976 121.638 118.700 -0.063 0.000 2.216 1005 N HA -0.021 4.723 4.740 0.006 0.000 0.183 1005 N C 0.290 175.693 175.510 -0.177 0.000 1.017 1005 N CA 0.965 53.995 53.050 -0.033 0.000 0.861 1005 N CB 0.709 39.230 38.487 0.056 0.000 0.986 1005 N HN 0.538 nan 8.380 nan 0.000 0.428 1006 V N 0.318 120.074 119.914 -0.263 0.000 2.733 1006 V HA 0.481 4.605 4.120 0.006 0.000 0.306 1006 V C -1.682 174.227 176.094 -0.307 0.000 1.084 1006 V CA -0.824 61.359 62.300 -0.196 0.000 0.905 1006 V CB 1.267 33.057 31.823 -0.055 0.000 1.010 1006 V HN -0.097 nan 8.190 nan 0.000 0.424 1007 F N 5.386 125.328 119.950 -0.013 0.000 2.470 1007 F HA 0.872 5.403 4.527 0.007 0.000 0.329 1007 F C 0.355 176.158 175.800 0.005 0.000 1.072 1007 F CA -0.131 57.867 58.000 -0.003 0.000 0.989 1007 F CB 1.906 40.867 39.000 -0.066 0.000 1.193 1007 F HN 0.923 nan 8.300 nan 0.000 0.481 1008 C N -0.129 119.287 119.300 0.193 0.000 3.171 1008 C HA 0.429 4.893 4.460 0.006 0.000 0.336 1008 C C -1.008 174.001 174.990 0.031 0.000 1.198 1008 C CA -1.037 58.060 59.018 0.132 0.000 1.319 1008 C CB 0.852 28.677 27.740 0.142 0.000 1.682 1008 C HN 0.849 nan 8.230 nan 0.000 0.497 1009 H N 1.451 120.583 119.070 0.104 0.000 2.886 1009 H HA 0.537 5.097 4.556 0.007 0.000 0.329 1009 H C 0.741 176.108 175.328 0.066 0.000 1.044 1009 H CA 1.744 57.837 56.048 0.074 0.000 1.456 1009 H CB 1.038 30.833 29.762 0.056 0.000 1.464 1009 H HN 1.283 nan 8.280 nan 0.000 0.573 1010 G N 0.701 109.582 108.800 0.136 0.000 2.316 1010 G HA2 0.314 4.278 3.960 0.006 0.000 0.296 1010 G HA3 0.314 4.278 3.960 0.006 0.000 0.296 1010 G C -1.515 173.420 174.900 0.058 0.000 1.399 1010 G CA -0.344 44.809 45.100 0.089 0.000 0.833 1010 G HN 0.629 nan 8.290 nan 0.000 0.565 1011 S N -1.452 114.272 115.700 0.040 0.000 2.547 1011 S HA 0.526 5.000 4.470 0.006 0.000 0.270 1011 S C 0.335 174.947 174.600 0.019 0.000 1.150 1011 S CA -0.637 57.580 58.200 0.028 0.000 0.850 1011 S CB 1.463 64.679 63.200 0.026 0.000 1.118 1011 S HN 0.753 nan 8.310 nan 0.000 0.461 1012 L N 2.728 123.962 121.223 0.018 0.000 2.591 1012 L HA 0.200 4.543 4.340 0.006 0.000 0.228 1012 L C 0.759 177.632 176.870 0.004 0.000 1.133 1012 L CA 0.372 55.218 54.840 0.011 0.000 0.880 1012 L CB 0.063 42.131 42.059 0.015 0.000 1.033 1012 L HN 0.635 nan 8.230 nan 0.000 0.450 1013 V N -3.875 116.041 119.914 0.002 0.000 3.624 1013 V HA 0.661 4.784 4.120 0.006 0.000 0.297 1013 V C 0.298 176.383 176.094 -0.015 0.000 1.319 1013 V CA -0.951 61.342 62.300 -0.013 0.000 0.990 1013 V CB 1.148 32.959 31.823 -0.021 0.000 1.247 1013 V HN 0.387 nan 8.190 nan 0.000 0.476 1014 M N -2.105 117.480 119.600 -0.025 0.000 7.319 1014 M HA -0.156 4.328 4.480 0.006 0.000 0.181 1014 M C -0.219 176.069 176.300 -0.020 0.000 0.480 1014 M CA 1.008 56.293 55.300 -0.025 0.000 1.311 1014 M CB -1.882 30.706 32.600 -0.021 0.000 0.421 1014 M HN 0.994 nan 8.290 nan 0.000 0.200 1024 T N -1.136 113.110 114.554 -0.513 0.000 2.926 1024 T HA 0.745 5.099 4.350 0.006 0.000 0.289 1024 T C -0.846 173.726 174.700 -0.214 0.000 1.054 1024 T CA -0.578 61.307 62.100 -0.359 0.000 1.015 1024 T CB 2.668 71.348 68.868 -0.314 0.000 1.167 1024 T HN 0.213 nan 8.240 nan 0.000 0.526 1025 Q N 0.294 120.007 119.800 -0.145 0.000 2.285 1025 Q HA 0.506 4.850 4.340 0.006 0.000 0.269 1025 Q C -0.085 175.883 176.000 -0.053 0.000 1.030 1025 Q CA -0.067 55.682 55.803 -0.090 0.000 0.788 1025 Q CB 1.330 30.021 28.738 -0.079 0.000 1.266 1025 Q HN 1.527 nan 8.270 nan 0.000 0.438 1026 G N 1.868 110.653 108.800 -0.025 0.000 2.814 1026 G HA2 -0.170 3.793 3.960 0.006 0.000 0.677 1026 G HA3 -0.170 3.793 3.960 0.006 0.000 0.677 1026 G C -0.871 174.038 174.900 0.015 0.000 1.429 1026 G CA -0.091 45.019 45.100 0.018 0.000 0.868 1026 G HN 0.766 nan 8.290 nan 0.000 0.553 1027 S N -0.691 115.035 115.700 0.044 0.000 2.536 1027 S HA 0.523 4.997 4.470 0.006 0.000 0.246 1027 S C -0.616 173.990 174.600 0.009 0.000 1.077 1027 S CA -0.020 58.199 58.200 0.031 0.000 1.091 1027 S CB 1.169 64.388 63.200 0.033 0.000 1.148 1027 S HN 1.580 nan 8.310 nan 0.000 0.447 1028 V N 6.326 126.230 119.914 -0.017 0.000 2.370 1028 V HA 0.525 4.648 4.120 0.006 0.000 0.283 1028 V C 0.043 176.195 176.094 0.098 0.000 1.023 1028 V CA -0.523 61.739 62.300 -0.064 0.000 0.857 1028 V CB 1.374 33.098 31.823 -0.165 0.000 0.985 1028 V HN 0.822 nan 8.190 nan 0.000 0.443 1029 L N 5.792 127.064 121.223 0.082 0.000 2.399 1029 L HA 0.677 5.020 4.340 0.006 0.000 0.265 1029 L C -0.468 176.502 176.870 0.167 0.000 1.089 1029 L CA -0.269 54.599 54.840 0.047 0.000 0.802 1029 L CB 1.261 43.312 42.059 -0.014 0.000 1.180 1029 L HN 0.725 nan 8.230 nan 0.000 0.454 1030 F N -0.581 119.352 119.950 -0.029 0.000 2.613 1030 F HA 0.866 5.396 4.527 0.006 0.000 0.310 1030 F C -0.216 175.497 175.800 -0.145 0.000 1.085 1030 F CA -0.956 56.954 58.000 -0.149 0.000 0.945 1030 F CB 1.442 40.264 39.000 -0.297 0.000 1.298 1030 F HN 0.356 nan 8.300 nan 0.000 0.455 1031 G N 0.596 109.411 108.800 0.025 0.000 2.513 1031 G HA2 0.575 4.539 3.960 0.006 0.000 0.317 1031 G HA3 0.575 4.539 3.960 0.006 0.000 0.317 1031 G C -1.217 173.706 174.900 0.039 0.000 1.277 1031 G CA -0.718 44.371 45.100 -0.019 0.000 0.955 1031 G HN 1.001 nan 8.290 nan 0.000 0.484 1032 T N -1.006 113.580 114.554 0.054 0.000 2.940 1032 T HA 0.363 4.716 4.350 0.006 0.000 0.288 1032 T C 1.326 176.062 174.700 0.060 0.000 1.033 1032 T CA -0.597 61.558 62.100 0.091 0.000 1.033 1032 T CB 1.656 70.593 68.868 0.115 0.000 1.079 1032 T HN 0.259 nan 8.240 nan 0.000 0.496 1033 V N 1.812 121.787 119.914 0.103 0.000 2.636 1033 V HA -0.161 3.963 4.120 0.006 0.000 0.258 1033 V C 2.002 178.091 176.094 -0.009 0.000 1.092 1033 V CA 1.839 64.153 62.300 0.022 0.000 1.110 1033 V CB -0.928 30.890 31.823 -0.007 0.000 0.685 1033 V HN 0.811 nan 8.190 nan 0.000 0.481 1034 N N -0.756 117.946 118.700 0.003 0.000 2.254 1034 N HA 0.160 4.904 4.740 0.006 0.000 0.190 1034 N C 1.474 176.973 175.510 -0.017 0.000 1.107 1034 N CA 0.989 54.030 53.050 -0.015 0.000 0.869 1034 N CB 1.149 39.626 38.487 -0.017 0.000 0.983 1034 N HN 0.517 nan 8.380 nan 0.000 0.487 1035 G N 0.396 109.184 108.800 -0.020 0.000 2.157 1035 G HA2 -0.245 3.719 3.960 0.006 0.000 0.239 1035 G HA3 -0.245 3.719 3.960 0.006 0.000 0.239 1035 G C 0.165 175.041 174.900 -0.041 0.000 0.982 1035 G CA -0.000 45.078 45.100 -0.036 0.000 0.650 1035 G HN 0.260 nan 8.290 nan 0.000 0.527 1036 M N 1.359 120.944 119.600 -0.025 0.000 2.228 1036 M HA 0.486 4.970 4.480 0.006 0.000 0.351 1036 M C 0.019 176.256 176.300 -0.105 0.000 1.233 1036 M CA 0.245 55.518 55.300 -0.044 0.000 1.129 1036 M CB 0.182 32.785 32.600 0.005 0.000 1.604 1036 M HN 0.192 nan 8.290 nan 0.000 0.457 1037 I N 4.476 124.934 120.570 -0.187 0.000 2.339 1037 I HA 0.387 4.561 4.170 0.006 0.000 0.290 1037 I C 0.680 176.462 176.117 -0.558 0.000 0.994 1037 I CA -0.615 60.483 61.300 -0.336 0.000 1.191 1037 I CB 1.531 39.387 38.000 -0.240 0.000 1.343 1037 I HN 0.766 nan 8.210 nan 0.000 0.458 1038 G N 5.817 113.860 108.800 -1.263 0.000 2.642 1038 G HA2 0.725 4.689 3.960 0.006 0.000 0.291 1038 G HA3 0.725 4.689 3.960 0.006 0.000 0.291 1038 G C -1.350 172.903 174.900 -1.078 0.000 1.345 1038 G CA -0.385 43.823 45.100 -1.487 0.000 1.043 1038 G HN 0.404 nan 8.290 nan 0.000 0.528 1039 L N -1.011 119.921 121.223 -0.484 0.000 2.565 1039 L HA 0.645 4.989 4.340 0.006 0.000 0.261 1039 L C -1.312 175.677 176.870 0.198 0.000 0.932 1039 L CA -0.661 54.137 54.840 -0.070 0.000 0.878 1039 L CB 2.010 44.029 42.059 -0.068 0.000 1.333 1039 L HN 0.385 nan 8.230 nan 0.000 0.409 1040 V N 3.808 123.874 119.914 0.253 0.000 2.487 1040 V HA 0.813 4.936 4.120 0.006 0.000 0.298 1040 V C -0.145 176.023 176.094 0.122 0.000 1.028 1040 V CA -0.194 62.242 62.300 0.227 0.000 0.860 1040 V CB 2.074 34.034 31.823 0.227 0.000 0.991 1040 V HN 0.928 nan 8.190 nan 0.000 0.427 1041 T N 2.399 117.030 114.554 0.128 0.000 2.916 1041 T HA 0.566 4.920 4.350 0.006 0.000 0.292 1041 T C -0.225 174.483 174.700 0.014 0.000 1.064 1041 T CA -0.560 61.570 62.100 0.050 0.000 1.011 1041 T CB 1.978 70.862 68.868 0.027 0.000 1.152 1041 T HN 0.556 nan 8.240 nan 0.000 0.510 1042 S N 0.558 116.235 115.700 -0.038 0.000 2.690 1042 S HA 0.796 5.269 4.470 0.006 0.000 0.291 1042 S C -0.875 173.696 174.600 -0.047 0.000 1.138 1042 S CA -0.753 57.413 58.200 -0.056 0.000 1.013 1042 S CB 0.553 63.704 63.200 -0.081 0.000 1.053 1042 S HN 0.425 nan 8.310 nan 0.000 0.539 1043 L N 1.394 122.623 121.223 0.009 0.000 2.409 1043 L HA 0.464 4.807 4.340 0.006 0.000 0.262 1043 L C 0.008 176.947 176.870 0.115 0.000 0.992 1043 L CA -0.773 54.096 54.840 0.048 0.000 0.817 1043 L CB 2.347 44.503 42.059 0.162 0.000 1.350 1043 L HN 0.782 nan 8.230 nan 0.000 0.411 1044 S N 0.458 116.214 115.700 0.092 0.000 2.562 1044 S HA 0.015 4.489 4.470 0.006 0.000 0.281 1044 S C 1.123 175.731 174.600 0.013 0.000 1.333 1044 S CA -0.247 58.030 58.200 0.128 0.000 1.052 1044 S CB 1.092 64.439 63.200 0.245 0.000 0.884 1044 S HN 0.772 nan 8.310 nan 0.000 0.506 1045 E N 3.160 123.242 120.200 -0.196 0.000 2.187 1045 E HA -0.254 4.100 4.350 0.006 0.000 0.199 1045 E C 1.614 178.089 176.600 -0.208 0.000 1.004 1045 E CA 2.153 58.191 56.400 -0.603 0.000 0.813 1045 E CB -1.167 28.279 29.700 -0.423 0.000 0.736 1045 E HN 0.802 nan 8.360 nan 0.000 0.468 1046 S N -0.382 115.285 115.700 -0.056 0.000 2.377 1046 S HA -0.083 4.390 4.470 0.006 0.000 0.223 1046 S C 1.906 176.447 174.600 -0.099 0.000 1.030 1046 S CA 0.649 58.803 58.200 -0.077 0.000 0.970 1046 S CB -1.024 62.117 63.200 -0.098 0.000 0.830 1046 S HN 0.386 nan 8.310 nan 0.000 0.473 1047 W N 1.035 122.293 121.300 -0.069 0.000 2.358 1047 W HA 0.010 4.673 4.660 0.006 0.000 0.303 1047 W C 2.403 178.903 176.519 -0.032 0.000 1.208 1047 W CA 0.786 58.098 57.345 -0.054 0.000 1.274 1047 W CB -0.955 28.477 29.460 -0.048 0.000 1.138 1047 W HN 0.315 nan 8.180 nan 0.000 0.515 1048 Y N 2.062 122.407 120.300 0.074 0.000 2.040 1048 Y HA -0.400 4.154 4.550 0.007 0.000 0.275 1048 Y C 2.236 178.112 175.900 -0.041 0.000 1.171 1048 Y CA 2.395 60.480 58.100 -0.025 0.000 1.123 1048 Y CB -1.002 37.304 38.460 -0.257 0.000 0.963 1048 Y HN -0.096 nan 8.280 nan 0.000 0.493 1049 N N 0.421 119.052 118.700 -0.115 0.000 2.058 1049 N HA -0.222 4.522 4.740 0.006 0.000 0.191 1049 N C 2.191 177.589 175.510 -0.188 0.000 1.037 1049 N CA 1.459 54.397 53.050 -0.186 0.000 0.848 1049 N CB -0.943 37.483 38.487 -0.103 0.000 1.021 1049 N HN 0.447 nan 8.380 nan 0.000 0.422 1050 L N 1.050 122.166 121.223 -0.179 0.000 2.030 1050 L HA -0.241 4.103 4.340 0.006 0.000 0.222 1050 L C 2.196 178.967 176.870 -0.166 0.000 1.082 1050 L CA 1.493 56.211 54.840 -0.203 0.000 0.785 1050 L CB -0.269 41.607 42.059 -0.304 0.000 0.895 1050 L HN 0.164 nan 8.230 nan 0.000 0.439 1051 L N -1.395 119.754 121.223 -0.123 0.000 2.095 1051 L HA -0.212 4.132 4.340 0.006 0.000 0.204 1051 L C 2.410 179.189 176.870 -0.151 0.000 1.080 1051 L CA 0.642 55.435 54.840 -0.077 0.000 0.759 1051 L CB -0.316 41.786 42.059 0.072 0.000 0.914 1051 L HN 0.339 nan 8.230 nan 0.000 0.439 1052 L N 0.134 121.172 121.223 -0.309 0.000 2.012 1052 L HA -0.305 4.038 4.340 0.006 0.000 0.210 1052 L C 2.131 178.890 176.870 -0.185 0.000 1.073 1052 L CA 2.062 56.690 54.840 -0.353 0.000 0.748 1052 L CB -0.162 41.514 42.059 -0.638 0.000 0.891 1052 L HN 0.336 nan 8.230 nan 0.000 0.431 1053 D N -0.483 119.817 120.400 -0.167 0.000 2.084 1053 D HA -0.313 4.331 4.640 0.006 0.000 0.194 1053 D C 2.288 178.533 176.300 -0.092 0.000 0.990 1053 D CA 1.831 55.766 54.000 -0.108 0.000 0.826 1053 D CB -0.099 40.641 40.800 -0.100 0.000 0.971 1053 D HN 0.279 nan 8.370 nan 0.000 0.453 1054 M N 0.041 119.572 119.600 -0.115 0.000 2.143 1054 M HA -0.284 4.199 4.480 0.006 0.000 0.258 1054 M C 2.040 178.291 176.300 -0.083 0.000 1.071 1054 M CA 1.570 56.799 55.300 -0.118 0.000 1.088 1054 M CB -0.053 32.439 32.600 -0.181 0.000 1.360 1054 M HN 0.116 nan 8.290 nan 0.000 0.404 1055 Q N 0.005 119.756 119.800 -0.082 0.000 2.096 1055 Q HA -0.213 4.131 4.340 0.006 0.000 0.204 1055 Q C 1.612 177.568 176.000 -0.073 0.000 0.982 1055 Q CA 2.318 58.071 55.803 -0.083 0.000 0.850 1055 Q CB -0.283 28.413 28.738 -0.071 0.000 0.901 1055 Q HN 0.746 nan 8.270 nan 0.000 0.422 1056 N N -0.372 118.302 118.700 -0.043 0.000 2.106 1056 N HA -0.107 4.637 4.740 0.006 0.000 0.188 1056 N C 1.758 177.270 175.510 0.004 0.000 1.029 1056 N CA 0.551 53.594 53.050 -0.011 0.000 0.848 1056 N CB 0.030 38.517 38.487 -0.000 0.000 1.007 1056 N HN 0.108 nan 8.380 nan 0.000 0.423 1057 R N 1.202 121.702 120.500 -0.000 0.000 2.094 1057 R HA -0.129 4.214 4.340 0.006 0.000 0.239 1057 R C 2.263 178.593 176.300 0.049 0.000 1.137 1057 R CA 0.993 57.107 56.100 0.023 0.000 0.943 1057 R CB -1.219 29.093 30.300 0.019 0.000 0.850 1057 R HN 0.302 nan 8.270 nan 0.000 0.433 1058 L N 1.434 122.688 121.223 0.052 0.000 2.129 1058 L HA -0.204 4.140 4.340 0.006 0.000 0.212 1058 L C 2.006 178.920 176.870 0.073 0.000 1.087 1058 L CA 1.193 56.089 54.840 0.093 0.000 0.757 1058 L CB -0.317 41.798 42.059 0.094 0.000 0.896 1058 L HN 0.269 nan 8.230 nan 0.000 0.434 1059 N N -0.660 118.064 118.700 0.040 0.000 2.376 1059 N HA -0.096 4.647 4.740 0.006 0.000 0.177 1059 N C 1.605 177.164 175.510 0.081 0.000 1.024 1059 N CA 0.642 53.732 53.050 0.066 0.000 0.893 1059 N CB 0.073 38.586 38.487 0.043 0.000 0.980 1059 N HN 0.350 nan 8.380 nan 0.000 0.439 1060 K N 0.769 121.207 120.400 0.062 0.000 2.209 1060 K HA -0.019 4.305 4.320 0.006 0.000 0.204 1060 K C 1.752 178.383 176.600 0.052 0.000 1.048 1060 K CA 0.768 57.088 56.287 0.055 0.000 0.940 1060 K CB 0.226 32.753 32.500 0.045 0.000 0.729 1060 K HN 0.018 nan 8.250 nan 0.000 0.451 1061 V N 0.948 120.896 119.914 0.057 0.000 2.685 1061 V HA 0.010 4.134 4.120 0.006 0.000 0.244 1061 V C 1.196 177.315 176.094 0.042 0.000 1.054 1061 V CA 0.428 62.756 62.300 0.047 0.000 1.076 1061 V CB 0.031 31.887 31.823 0.056 0.000 0.725 1061 V HN 0.124 nan 8.190 nan 0.000 0.467 1062 I N 2.782 123.390 120.570 0.063 0.000 2.441 1062 I HA 0.126 4.300 4.170 0.006 0.000 0.287 1062 I C 0.614 176.759 176.117 0.046 0.000 1.049 1062 I CA -0.218 61.116 61.300 0.057 0.000 1.381 1062 I CB 0.794 38.852 38.000 0.096 0.000 1.409 1062 I HN 0.201 nan 8.210 nan 0.000 0.523 1063 K N 5.817 126.219 120.400 0.005 0.000 2.167 1063 K HA 0.117 4.441 4.320 0.006 0.000 0.275 1063 K C -0.072 176.493 176.600 -0.057 0.000 1.103 1063 K CA -0.137 56.136 56.287 -0.023 0.000 0.963 1063 K CB 0.336 32.810 32.500 -0.043 0.000 1.243 1063 K HN 0.537 nan 8.250 nan 0.000 0.407 1064 S N 2.987 118.664 115.700 -0.039 0.000 2.488 1064 S HA 0.050 4.524 4.470 0.006 0.000 0.278 1064 S C 1.410 175.901 174.600 -0.181 0.000 1.259 1064 S CA -0.735 57.383 58.200 -0.138 0.000 1.061 1064 S CB 0.580 63.808 63.200 0.047 0.000 0.910 1064 S HN 0.339 nan 8.310 nan 0.000 0.491 1065 V N 5.052 124.811 119.914 -0.258 0.000 2.244 1065 V HA -0.212 3.912 4.120 0.006 0.000 0.248 1065 V C 2.401 178.400 176.094 -0.159 0.000 1.038 1065 V CA 2.475 64.663 62.300 -0.187 0.000 1.026 1065 V CB -1.397 30.311 31.823 -0.191 0.000 0.660 1065 V HN 1.052 nan 8.190 nan 0.000 0.472 1066 G N -0.211 108.492 108.800 -0.162 0.000 3.374 1066 G HA2 0.108 4.072 3.960 0.006 0.000 0.252 1066 G HA3 0.108 4.072 3.960 0.006 0.000 0.252 1066 G C 0.418 175.209 174.900 -0.182 0.000 1.326 1066 G CA -0.142 44.873 45.100 -0.142 0.000 1.133 1066 G HN 0.559 nan 8.290 nan 0.000 0.528 1067 K N -0.415 119.863 120.400 -0.204 0.000 3.244 1067 K HA -0.179 4.145 4.320 0.006 0.000 0.270 1067 K C -0.082 176.489 176.600 -0.048 0.000 1.016 1067 K CA 0.624 56.777 56.287 -0.224 0.000 0.754 1067 K CB -1.908 30.174 32.500 -0.697 0.000 1.326 1067 K HN 0.458 nan 8.250 nan 0.000 0.465 1068 I N 1.040 121.635 120.570 0.042 0.000 2.359 1068 I HA 0.072 4.246 4.170 0.006 0.000 0.294 1068 I C 0.863 177.150 176.117 0.285 0.000 0.987 1068 I CA -0.869 60.518 61.300 0.145 0.000 1.225 1068 I CB 1.402 39.500 38.000 0.163 0.000 1.366 1068 I HN 0.048 nan 8.210 nan 0.000 0.466 1069 E N 4.842 125.176 120.200 0.224 0.000 2.328 1069 E HA -0.111 4.242 4.350 0.006 0.000 0.265 1069 E C 1.030 177.835 176.600 0.342 0.000 1.057 1069 E CA 0.513 57.077 56.400 0.273 0.000 0.916 1069 E CB 0.328 30.157 29.700 0.215 0.000 0.993 1069 E HN 0.498 nan 8.360 nan 0.000 0.446 1070 H N 2.992 122.139 119.070 0.128 0.000 2.357 1070 H HA -0.219 4.340 4.556 0.006 0.000 0.296 1070 H C 1.696 177.013 175.328 -0.019 0.000 1.108 1070 H CA 2.563 58.469 56.048 -0.236 0.000 1.273 1070 H CB 0.232 29.778 29.762 -0.360 0.000 1.367 1070 H HN 0.535 nan 8.280 nan 0.000 0.498 1071 S N -0.922 114.894 115.700 0.194 0.000 2.436 1071 S HA -0.144 4.330 4.470 0.006 0.000 0.228 1071 S C 2.096 176.730 174.600 0.057 0.000 1.014 1071 S CA 0.613 58.907 58.200 0.156 0.000 0.950 1071 S CB -0.735 62.593 63.200 0.215 0.000 0.784 1071 S HN 0.512 nan 8.310 nan 0.000 0.504 1072 F N 2.121 122.075 119.950 0.007 0.000 2.113 1072 F HA 0.058 4.589 4.527 0.006 0.000 0.297 1072 F C 2.244 178.021 175.800 -0.038 0.000 1.103 1072 F CA 1.288 59.290 58.000 0.002 0.000 1.248 1072 F CB -0.591 38.437 39.000 0.047 0.000 0.999 1072 F HN 0.399 nan 8.300 nan 0.000 0.475 1073 W N 1.742 122.874 121.300 -0.281 0.000 2.335 1073 W HA -0.218 4.446 4.660 0.007 0.000 0.311 1073 W C 1.161 177.354 176.519 -0.545 0.000 1.213 1073 W CA 1.055 58.150 57.345 -0.416 0.000 1.274 1073 W CB -0.234 29.062 29.460 -0.274 0.000 1.148 1073 W HN -0.135 nan 8.180 nan 0.000 0.498 1074 R N 1.233 121.253 120.500 -0.800 0.000 2.363 1074 R HA 0.117 4.461 4.340 0.006 0.000 0.236 1074 R C 0.017 175.952 176.300 -0.609 0.000 0.966 1074 R CA 0.087 55.586 56.100 -1.000 0.000 1.100 1074 R CB -0.484 29.355 30.300 -0.768 0.000 1.125 1074 R HN -0.103 nan 8.270 nan 0.000 0.514 1075 S N 1.440 116.856 115.700 -0.474 0.000 2.448 1075 S HA 0.152 4.626 4.470 0.006 0.000 0.279 1075 S C -0.177 174.362 174.600 -0.101 0.000 1.195 1075 S CA -0.607 57.460 58.200 -0.222 0.000 1.051 1075 S CB 0.147 63.194 63.200 -0.255 0.000 0.948 1075 S HN 0.311 nan 8.310 nan 0.000 0.493 1076 F N 4.880 124.768 119.950 -0.102 0.000 2.579 1076 F HA -0.022 4.509 4.527 0.006 0.000 0.397 1076 F C 0.372 176.194 175.800 0.036 0.000 1.027 1076 F CA 0.753 58.743 58.000 -0.017 0.000 1.217 1076 F CB 0.178 39.188 39.000 0.017 0.000 0.986 1076 F HN 0.709 nan 8.300 nan 0.000 0.551 1077 H N 4.132 123.093 119.070 -0.183 0.000 3.149 1077 H HA 0.334 4.893 4.556 0.006 0.000 0.334 1077 H C -1.017 174.233 175.328 -0.130 0.000 1.000 1077 H CA -0.212 55.805 56.048 -0.051 0.000 1.415 1077 H CB 1.042 30.713 29.762 -0.151 0.000 1.819 1077 H HN 0.650 nan 8.280 nan 0.000 0.486 1078 T N 1.147 115.365 114.554 -0.560 0.000 2.949 1078 T HA 0.256 4.609 4.350 0.006 0.000 0.287 1078 T C 0.379 174.704 174.700 -0.625 0.000 1.034 1078 T CA -1.065 60.740 62.100 -0.493 0.000 1.018 1078 T CB 1.644 70.426 68.868 -0.144 0.000 1.135 1078 T HN 0.548 nan 8.240 nan 0.000 0.532 1079 E N 0.728 120.744 120.200 -0.306 0.000 2.467 1079 E HA 0.183 4.537 4.350 0.006 0.000 0.321 1079 E C 0.631 177.200 176.600 -0.053 0.000 1.388 1079 E CA -0.208 56.126 56.400 -0.110 0.000 1.508 1079 E CB -0.925 28.771 29.700 -0.006 0.000 1.250 1079 E HN 0.755 nan 8.360 nan 0.000 0.500 1080 R N 0.654 121.121 120.500 -0.055 0.000 2.519 1080 R HA 0.081 4.425 4.340 0.006 0.000 0.050 1080 R C -0.740 175.575 176.300 0.025 0.000 0.501 1080 R CA -0.245 55.856 56.100 0.002 0.000 0.746 1080 R CB -0.788 29.518 30.300 0.010 0.000 0.882 1080 R HN 0.077 nan 8.270 nan 0.000 0.576 1081 K N 0.887 121.308 120.400 0.034 0.000 2.688 1081 K HA 0.255 4.579 4.320 0.006 0.000 0.270 1081 K C -1.955 174.747 176.600 0.169 0.000 1.013 1081 K CA -0.394 55.945 56.287 0.086 0.000 0.924 1081 K CB 2.002 34.547 32.500 0.075 0.000 1.378 1081 K HN 0.104 nan 8.250 nan 0.000 0.402 1082 T N 3.345 118.009 114.554 0.183 0.000 3.050 1082 T HA 0.333 4.686 4.350 0.006 0.000 0.310 1082 T C -1.530 173.258 174.700 0.146 0.000 0.978 1082 T CA -0.843 61.399 62.100 0.237 0.000 1.013 1082 T CB 1.142 70.169 68.868 0.266 0.000 1.000 1082 T HN 0.444 nan 8.240 nan 0.000 0.447 1083 E N 2.933 123.225 120.200 0.153 0.000 2.244 1083 E HA 0.507 4.860 4.350 0.006 0.000 0.266 1083 E C -2.704 173.960 176.600 0.107 0.000 0.914 1083 E CA -2.692 53.759 56.400 0.085 0.000 0.794 1083 E CB 1.660 31.357 29.700 -0.005 0.000 1.210 1083 E HN 0.246 nan 8.360 nan 0.000 0.414 1084 P HA 0.128 nan 4.420 nan 0.000 0.272 1084 P C -0.810 176.576 177.300 0.144 0.000 1.240 1084 P CA -0.221 62.938 63.100 0.097 0.000 0.791 1084 P CB 0.514 32.275 31.700 0.102 0.000 0.978 1085 A N 1.255 124.177 122.820 0.170 0.000 2.371 1085 A HA 0.568 4.892 4.320 0.006 0.000 0.257 1085 A C 0.290 178.069 177.584 0.324 0.000 1.089 1085 A CA 0.291 52.501 52.037 0.288 0.000 0.794 1085 A CB -0.474 18.754 19.000 0.381 0.000 1.029 1085 A HN 0.625 nan 8.150 nan 0.000 0.488 1086 T N -1.821 112.963 114.554 0.384 0.000 2.903 1086 T HA 0.600 4.954 4.350 0.006 0.000 0.299 1086 T C 0.714 175.631 174.700 0.360 0.000 1.093 1086 T CA 0.190 62.495 62.100 0.342 0.000 1.002 1086 T CB 1.290 70.287 68.868 0.216 0.000 1.127 1086 T HN 2.418 nan 8.240 nan 0.000 0.488 1087 G N 0.487 109.445 108.800 0.262 0.000 2.180 1087 G HA2 -0.212 3.752 3.960 0.006 0.000 0.263 1087 G HA3 -0.212 3.752 3.960 0.006 0.000 0.263 1087 G C -0.202 174.551 174.900 -0.244 0.000 0.989 1087 G CA 0.481 45.498 45.100 -0.139 0.000 0.692 1087 G HN 0.801 nan 8.290 nan 0.000 0.526 1088 F N -0.525 119.582 119.950 0.262 0.000 2.588 1088 F HA 0.718 5.249 4.527 0.007 0.000 0.310 1088 F C 0.305 176.152 175.800 0.078 0.000 1.082 1088 F CA -1.166 56.853 58.000 0.032 0.000 0.929 1088 F CB 1.806 40.605 39.000 -0.335 0.000 1.254 1088 F HN -0.020 nan 8.300 nan 0.000 0.455 1089 I N 1.890 122.543 120.570 0.138 0.000 2.498 1089 I HA 0.307 4.480 4.170 0.006 0.000 0.290 1089 I C -1.405 174.606 176.117 -0.176 0.000 1.032 1089 I CA -1.119 60.215 61.300 0.057 0.000 1.073 1089 I CB 1.965 40.038 38.000 0.121 0.000 1.251 1089 I HN 0.430 nan 8.210 nan 0.000 0.426 1090 D N 4.818 125.219 120.400 0.002 0.000 2.352 1090 D HA 0.149 4.793 4.640 0.006 0.000 0.245 1090 D C 1.327 177.513 176.300 -0.189 0.000 1.224 1090 D CA -0.594 53.371 54.000 -0.058 0.000 0.879 1090 D CB 1.351 42.296 40.800 0.242 0.000 1.057 1090 D HN 0.754 nan 8.370 nan 0.000 0.491 1091 G N 2.440 110.842 108.800 -0.662 0.000 2.532 1091 G HA2 -0.341 3.622 3.960 0.006 0.000 0.222 1091 G HA3 -0.341 3.622 3.960 0.006 0.000 0.222 1091 G C 1.088 176.010 174.900 0.037 0.000 1.102 1091 G CA 0.487 45.397 45.100 -0.317 0.000 0.742 1091 G HN 0.385 nan 8.290 nan 0.000 0.577 1092 D N -0.341 120.085 120.400 0.044 0.000 2.144 1092 D HA -0.051 4.593 4.640 0.006 0.000 0.200 1092 D C 2.340 178.756 176.300 0.194 0.000 0.978 1092 D CA 0.071 54.158 54.000 0.146 0.000 0.833 1092 D CB -0.128 40.786 40.800 0.190 0.000 0.961 1092 D HN 0.208 nan 8.370 nan 0.000 0.470 1093 L N 0.615 121.957 121.223 0.198 0.000 2.007 1093 L HA -0.132 4.212 4.340 0.006 0.000 0.205 1093 L C 2.047 179.007 176.870 0.151 0.000 1.073 1093 L CA 1.028 55.980 54.840 0.186 0.000 0.744 1093 L CB -0.536 41.587 42.059 0.106 0.000 0.898 1093 L HN -0.029 nan 8.230 nan 0.000 0.435 1094 I N 0.843 121.487 120.570 0.124 0.000 2.103 1094 I HA -0.382 3.791 4.170 0.006 0.000 0.241 1094 I C 2.511 178.745 176.117 0.195 0.000 1.036 1094 I CA 1.761 63.145 61.300 0.140 0.000 1.300 1094 I CB -1.420 36.707 38.000 0.211 0.000 1.010 1094 I HN 0.388 nan 8.210 nan 0.000 0.406 1095 E N 0.484 120.809 120.200 0.208 0.000 2.209 1095 E HA -0.165 4.189 4.350 0.006 0.000 0.196 1095 E C 2.176 178.896 176.600 0.201 0.000 0.993 1095 E CA 1.354 57.879 56.400 0.209 0.000 0.819 1095 E CB -0.076 29.741 29.700 0.195 0.000 0.745 1095 E HN 0.440 nan 8.360 nan 0.000 0.477 1096 S N 0.821 116.637 115.700 0.194 0.000 2.400 1096 S HA -0.258 4.215 4.470 0.006 0.000 0.234 1096 S C 1.456 176.167 174.600 0.185 0.000 1.049 1096 S CA 1.137 59.440 58.200 0.170 0.000 1.039 1096 S CB -0.452 62.857 63.200 0.181 0.000 0.856 1096 S HN 0.279 nan 8.310 nan 0.000 0.465 1097 F N 2.404 122.386 119.950 0.053 0.000 2.021 1097 F HA -0.258 4.273 4.527 0.007 0.000 0.297 1097 F C 2.036 177.848 175.800 0.020 0.000 1.152 1097 F CA 1.642 59.663 58.000 0.035 0.000 1.201 1097 F CB -0.932 38.092 39.000 0.041 0.000 0.951 1097 F HN 0.101 nan 8.300 nan 0.000 0.504 1098 L N -0.367 120.930 121.223 0.122 0.000 2.103 1098 L HA -0.285 4.059 4.340 0.006 0.000 0.215 1098 L C 1.195 178.018 176.870 -0.079 0.000 1.080 1098 L CA 1.770 56.600 54.840 -0.016 0.000 0.764 1098 L CB -1.060 41.023 42.059 0.040 0.000 0.890 1098 L HN 0.171 nan 8.230 nan 0.000 0.435 1099 D N -0.026 120.351 120.400 -0.038 0.000 2.346 1099 D HA 0.206 4.850 4.640 0.006 0.000 0.248 1099 D C 0.208 176.461 176.300 -0.079 0.000 1.173 1099 D CA 0.534 54.506 54.000 -0.047 0.000 0.878 1099 D CB -0.097 40.697 40.800 -0.010 0.000 0.919 1099 D HN 0.251 nan 8.370 nan 0.000 0.513 1100 I N 0.526 121.009 120.570 -0.144 0.000 2.441 1100 I HA 0.118 4.292 4.170 0.006 0.000 0.295 1100 I C 0.434 176.445 176.117 -0.177 0.000 0.994 1100 I CA -0.992 60.204 61.300 -0.174 0.000 1.144 1100 I CB 1.629 39.472 38.000 -0.262 0.000 1.314 1100 I HN -0.067 nan 8.210 nan 0.000 0.445 1101 S N 5.584 121.208 115.700 -0.126 0.000 2.563 1101 S HA 0.078 4.552 4.470 0.006 0.000 0.284 1101 S C 1.145 175.672 174.600 -0.122 0.000 1.331 1101 S CA -0.228 57.911 58.200 -0.102 0.000 1.047 1101 S CB 1.006 64.162 63.200 -0.073 0.000 0.859 1101 S HN 0.760 nan 8.310 nan 0.000 0.514 1102 R N 2.280 122.724 120.500 -0.092 0.000 2.105 1102 R HA -0.049 4.295 4.340 0.006 0.000 0.239 1102 R C -0.696 175.565 176.300 -0.065 0.000 1.135 1102 R CA 1.664 57.714 56.100 -0.083 0.000 0.967 1102 R CB -1.327 28.949 30.300 -0.041 0.000 0.861 1102 R HN 0.667 nan 8.270 nan 0.000 0.442 1103 P HA -0.204 nan 4.420 nan 0.000 0.215 1103 P C 0.383 177.660 177.300 -0.038 0.000 1.157 1103 P CA 1.486 64.565 63.100 -0.035 0.000 0.868 1103 P CB -0.091 31.590 31.700 -0.032 0.000 0.788 1104 K N -0.990 119.377 120.400 -0.055 0.000 2.283 1104 K HA -0.022 4.302 4.320 0.006 0.000 0.202 1104 K C 2.229 178.795 176.600 -0.056 0.000 1.048 1104 K CA 0.867 57.125 56.287 -0.048 0.000 0.948 1104 K CB -0.594 31.870 32.500 -0.059 0.000 0.742 1104 K HN 0.268 nan 8.250 nan 0.000 0.458 1105 M N 0.490 120.021 119.600 -0.115 0.000 2.160 1105 M HA -0.135 4.349 4.480 0.006 0.000 0.264 1105 M C 1.988 178.294 176.300 0.010 0.000 1.073 1105 M CA 1.230 56.432 55.300 -0.164 0.000 1.142 1105 M CB 0.139 32.553 32.600 -0.310 0.000 1.358 1105 M HN -0.030 nan 8.290 nan 0.000 0.422 1106 Q N 0.603 120.403 119.800 0.000 0.000 2.096 1106 Q HA -0.229 4.115 4.340 0.006 0.000 0.204 1106 Q C 1.687 177.711 176.000 0.041 0.000 0.982 1106 Q CA 1.829 57.649 55.803 0.029 0.000 0.850 1106 Q CB -0.628 28.116 28.738 0.011 0.000 0.901 1106 Q HN 0.644 nan 8.270 nan 0.000 0.422 1107 E N 0.066 120.283 120.200 0.029 0.000 2.147 1107 E HA -0.175 4.178 4.350 0.006 0.000 0.199 1107 E C 1.978 178.612 176.600 0.057 0.000 1.005 1107 E CA 1.551 57.971 56.400 0.034 0.000 0.810 1107 E CB -0.149 29.567 29.700 0.026 0.000 0.736 1107 E HN 0.144 nan 8.360 nan 0.000 0.460 1108 V N 1.000 120.973 119.914 0.099 0.000 2.759 1108 V HA -0.105 4.019 4.120 0.006 0.000 0.256 1108 V C 0.957 177.106 176.094 0.092 0.000 1.080 1108 V CA 0.801 63.183 62.300 0.138 0.000 1.101 1108 V CB -0.167 31.849 31.823 0.320 0.000 0.698 1108 V HN -0.005 nan 8.190 nan 0.000 0.477 1109 V N 0.152 120.115 119.914 0.081 0.000 2.328 1109 V HA 0.697 4.821 4.120 0.006 0.000 0.278 1109 V C 0.666 176.774 176.094 0.024 0.000 1.021 1109 V CA 0.509 62.834 62.300 0.041 0.000 0.838 1109 V CB 0.876 32.724 31.823 0.041 0.000 0.999 1109 V HN 0.231 nan 8.190 nan 0.000 0.447 1110 A N 4.482 127.308 122.820 0.011 0.000 2.312 1110 A HA 0.478 4.802 4.320 0.006 0.000 0.215 1110 A C 0.557 178.139 177.584 -0.003 0.000 1.256 1110 A CA 0.417 52.458 52.037 0.006 0.000 0.966 1110 A CB 0.177 19.182 19.000 0.007 0.000 1.053 1110 A HN 0.880 nan 8.150 nan 0.000 0.510 1123 E N 0.444 120.602 120.200 -0.071 0.000 2.394 1123 E HA 0.746 5.100 4.350 0.006 0.000 0.266 1123 E C -1.856 174.703 176.600 -0.068 0.000 1.065 1123 E CA -0.912 55.453 56.400 -0.059 0.000 0.885 1123 E CB 2.485 32.155 29.700 -0.049 0.000 1.659 1123 E HN 0.798 nan 8.360 nan 0.000 0.462 1124 A N 0.729 123.517 122.820 -0.053 0.000 2.456 1124 A HA 0.561 4.884 4.320 0.006 0.000 0.288 1124 A C -0.539 177.027 177.584 -0.031 0.000 1.042 1124 A CA -0.371 51.635 52.037 -0.051 0.000 0.738 1124 A CB 1.690 20.663 19.000 -0.045 0.000 1.266 1124 A HN 0.449 nan 8.150 nan 0.000 0.407 1125 T N 0.696 115.234 114.554 -0.027 0.000 2.281 1125 T HA 0.713 5.067 4.350 0.006 0.000 0.180 1125 T C 1.381 176.090 174.700 0.015 0.000 0.683 1125 T CA 1.181 63.277 62.100 -0.007 0.000 1.735 1125 T CB 0.381 69.244 68.868 -0.009 0.000 3.036 1125 T HN 1.694 nan 8.240 nan 0.000 0.399 1126 A N 0.276 123.117 122.820 0.035 0.000 2.264 1126 A HA 0.254 4.578 4.320 0.006 0.000 0.150 1126 A C -0.178 177.461 177.584 0.092 0.000 1.931 1126 A CA 0.839 52.912 52.037 0.060 0.000 1.453 1126 A CB 0.219 19.242 19.000 0.039 0.000 1.599 1126 A HN 0.627 nan 8.150 nan 0.000 0.338 1127 D N -1.243 119.204 120.400 0.078 0.000 2.656 1127 D HA 0.033 4.676 4.640 0.006 0.000 0.384 1127 D C 0.254 176.591 176.300 0.062 0.000 1.347 1127 D CA 0.619 54.674 54.000 0.092 0.000 0.970 1127 D CB -1.004 39.835 40.800 0.064 0.000 1.549 1127 D HN 0.066 nan 8.370 nan 0.000 0.401 1128 D N 0.441 120.862 120.400 0.036 0.000 2.263 1128 D HA -0.068 4.575 4.640 0.006 0.000 0.208 1128 D C 1.643 177.949 176.300 0.012 0.000 0.971 1128 D CA 0.839 54.846 54.000 0.011 0.000 0.867 1128 D CB 0.223 41.013 40.800 -0.017 0.000 0.929 1128 D HN 0.159 nan 8.370 nan 0.000 0.492 1129 L N -0.032 121.210 121.223 0.031 0.000 2.168 1129 L HA 0.084 4.428 4.340 0.006 0.000 0.203 1129 L C 2.448 179.372 176.870 0.090 0.000 1.078 1129 L CA 0.419 55.259 54.840 -0.001 0.000 0.780 1129 L CB -0.849 41.147 42.059 -0.105 0.000 0.939 1129 L HN 0.134 nan 8.230 nan 0.000 0.451 1130 I N 0.848 121.556 120.570 0.230 0.000 2.285 1130 I HA -0.426 3.747 4.170 0.006 0.000 0.253 1130 I C 2.699 178.882 176.117 0.109 0.000 1.104 1130 I CA 1.737 63.170 61.300 0.223 0.000 1.372 1130 I CB 0.012 38.099 38.000 0.145 0.000 1.057 1130 I HN 0.291 nan 8.210 nan 0.000 0.431 1131 K N -0.185 120.257 120.400 0.070 0.000 2.137 1131 K HA -0.072 4.252 4.320 0.006 0.000 0.202 1131 K C 1.972 178.609 176.600 0.061 0.000 1.052 1131 K CA 1.100 57.413 56.287 0.044 0.000 0.961 1131 K CB 0.056 32.573 32.500 0.028 0.000 0.741 1131 K HN 0.186 nan 8.250 nan 0.000 0.452 1132 V N 1.318 121.274 119.914 0.070 0.000 2.407 1132 V HA -0.198 3.926 4.120 0.006 0.000 0.248 1132 V C 2.321 178.493 176.094 0.131 0.000 1.055 1132 V CA 1.351 63.729 62.300 0.130 0.000 1.049 1132 V CB 0.098 31.964 31.823 0.071 0.000 0.662 1132 V HN 0.182 nan 8.190 nan 0.000 0.455 1133 V N -0.572 119.396 119.914 0.091 0.000 2.379 1133 V HA -0.199 3.925 4.120 0.006 0.000 0.245 1133 V C 2.345 178.491 176.094 0.087 0.000 1.044 1133 V CA 1.787 64.149 62.300 0.103 0.000 1.036 1133 V CB -0.472 31.430 31.823 0.132 0.000 0.664 1133 V HN 0.604 nan 8.190 nan 0.000 0.453 1134 E N -0.008 120.231 120.200 0.066 0.000 2.049 1134 E HA -0.323 4.031 4.350 0.006 0.000 0.198 1134 E C 2.216 178.817 176.600 0.002 0.000 1.007 1134 E CA 1.695 58.108 56.400 0.023 0.000 0.809 1134 E CB -0.194 29.508 29.700 0.004 0.000 0.749 1134 E HN 0.622 nan 8.360 nan 0.000 0.450 1135 E N 0.216 120.423 120.200 0.012 0.000 2.333 1135 E HA -0.206 4.148 4.350 0.006 0.000 0.200 1135 E C 1.839 178.401 176.600 -0.062 0.000 1.010 1135 E CA 0.598 56.987 56.400 -0.018 0.000 0.841 1135 E CB 0.105 29.812 29.700 0.012 0.000 0.757 1135 E HN 0.217 nan 8.360 nan 0.000 0.508 1136 L N -0.701 120.496 121.223 -0.044 0.000 2.189 1136 L HA -0.060 4.283 4.340 0.006 0.000 0.199 1136 L C 2.622 179.480 176.870 -0.021 0.000 1.074 1136 L CA 1.151 55.942 54.840 -0.081 0.000 0.783 1136 L CB -0.614 41.399 42.059 -0.077 0.000 0.955 1136 L HN 0.168 nan 8.230 nan 0.000 0.460 1137 T N -1.721 112.844 114.554 0.018 0.000 2.837 1137 T HA -0.318 4.036 4.350 0.006 0.000 0.266 1137 T C 1.701 176.271 174.700 -0.217 0.000 1.077 1137 T CA 1.388 63.459 62.100 -0.049 0.000 1.133 1137 T CB -0.530 68.314 68.868 -0.040 0.000 0.830 1137 T HN 0.273 nan 8.240 nan 0.000 0.512 1138 R N 0.195 120.612 120.500 -0.138 0.000 2.356 1138 R HA 0.378 4.721 4.340 0.006 0.000 0.234 1138 R C 1.385 177.610 176.300 -0.124 0.000 0.929 1138 R CA 0.018 56.028 56.100 -0.150 0.000 1.084 1138 R CB -0.182 30.057 30.300 -0.101 0.000 1.105 1138 R HN 0.538 nan 8.270 nan 0.000 0.515 1139 I N 0.176 120.695 120.570 -0.084 0.000 3.578 1139 I HA -0.051 4.123 4.170 0.006 0.000 0.295 1139 I C 1.045 177.202 176.117 0.068 0.000 1.280 1139 I CA 0.465 61.761 61.300 -0.007 0.000 1.347 1139 I CB -0.268 37.752 38.000 0.033 0.000 1.051 1139 I HN 0.176 nan 8.210 nan 0.000 0.460 1140 H N 0.000 119.066 119.070 -0.007 0.000 2.539 1140 H HA 0.000 4.560 4.556 0.006 0.000 0.296 1140 H CA 0.000 56.041 56.048 -0.011 0.000 1.023 1140 H CB 0.000 29.758 29.762 -0.007 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496