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 3i8c_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 0.000 175.769 176.300 -0.886 0.000 1.140 1 M CA 0.000 54.967 55.300 -0.555 0.000 0.988 1 M CB 0.000 32.420 32.600 -0.300 0.000 1.302 2 S N 1.292 116.457 115.700 -0.892 0.000 2.472 2 S HA 0.845 5.304 4.470 -0.019 0.000 0.303 2 S C -1.650 172.428 174.600 -0.871 0.000 1.099 2 S CA -0.262 57.482 58.200 -0.760 0.000 1.077 2 S CB 0.933 63.882 63.200 -0.419 0.000 1.031 2 S HN 0.506 nan 8.310 nan 0.000 0.487 3 Y N 3.914 124.054 120.300 -0.266 0.000 2.681 3 Y HA 0.505 5.043 4.550 -0.019 0.000 0.347 3 Y C 0.209 176.063 175.900 -0.077 0.000 1.029 3 Y CA -1.184 56.816 58.100 -0.167 0.000 1.279 3 Y CB 0.634 39.033 38.460 -0.102 0.000 1.096 3 Y HN 0.585 nan 8.280 nan 0.000 0.580 4 N N 1.364 120.046 118.700 -0.029 0.000 2.380 4 N HA 0.399 5.128 4.740 -0.019 0.000 0.290 4 N C -1.838 173.714 175.510 0.071 0.000 1.236 4 N CA -0.862 52.126 53.050 -0.104 0.000 0.780 4 N CB 3.079 41.261 38.487 -0.507 0.000 1.438 4 N HN 0.511 nan 8.380 nan 0.000 0.491 5 Y N 0.530 120.824 120.300 -0.009 0.000 2.386 5 Y HA 0.438 4.976 4.550 -0.019 0.000 0.334 5 Y C -1.066 174.859 175.900 0.040 0.000 1.002 5 Y CA -0.806 57.318 58.100 0.040 0.000 1.068 5 Y CB 1.091 39.587 38.460 0.059 0.000 1.203 5 Y HN 0.295 nan 8.280 nan 0.000 0.443 6 V N 4.702 124.477 119.914 -0.232 0.000 2.604 6 V HA 0.946 5.055 4.120 -0.019 0.000 0.305 6 V C -1.183 174.767 176.094 -0.240 0.000 1.043 6 V CA -0.852 61.378 62.300 -0.116 0.000 0.888 6 V CB 0.945 32.666 31.823 -0.169 0.000 0.995 6 V HN 0.632 nan 8.190 nan 0.000 0.429 7 V N 1.253 121.126 119.914 -0.069 0.000 3.078 7 V HA 0.632 4.740 4.120 -0.019 0.000 0.311 7 V C 0.191 176.208 176.094 -0.128 0.000 1.138 7 V CA -0.605 61.630 62.300 -0.109 0.000 1.007 7 V CB 1.940 33.674 31.823 -0.148 0.000 1.045 7 V HN 0.919 nan 8.190 nan 0.000 0.432 8 T N 1.912 116.409 114.554 -0.096 0.000 2.856 8 T HA 0.541 4.880 4.350 -0.019 0.000 0.292 8 T C 0.908 175.536 174.700 -0.119 0.000 0.980 8 T CA 0.527 62.577 62.100 -0.084 0.000 1.091 8 T CB 1.596 70.475 68.868 0.017 0.000 0.936 8 T HN 1.048 nan 8.240 nan 0.000 0.503 9 A N 2.754 125.508 122.820 -0.109 0.000 2.108 9 A HA 0.330 4.638 4.320 -0.019 0.000 0.206 9 A C 0.804 178.415 177.584 0.045 0.000 1.212 9 A CA 0.285 52.346 52.037 0.040 0.000 0.843 9 A CB 0.226 19.209 19.000 -0.028 0.000 0.902 9 A HN 0.598 nan 8.150 nan 0.000 0.477 10 Q N 0.463 120.249 119.800 -0.024 0.000 2.268 10 Q HA 0.439 4.768 4.340 -0.019 0.000 0.266 10 Q C -1.405 174.584 176.000 -0.018 0.000 1.006 10 Q CA -0.345 55.447 55.803 -0.017 0.000 0.824 10 Q CB 1.046 29.758 28.738 -0.044 0.000 1.306 10 Q HN 0.262 nan 8.270 nan 0.000 0.424 11 K N 4.512 124.914 120.400 0.003 0.000 2.258 11 K HA 0.353 4.662 4.320 -0.019 0.000 0.264 11 K C -2.152 174.448 176.600 -0.000 0.000 1.007 11 K CA -1.606 54.687 56.287 0.010 0.000 0.941 11 K CB 0.237 32.746 32.500 0.015 0.000 0.966 11 K HN 0.557 nan 8.250 nan 0.000 0.480 12 P HA -0.094 nan 4.420 nan 0.000 0.266 12 P C 0.088 177.384 177.300 -0.006 0.000 1.193 12 P CA 0.391 63.489 63.100 -0.003 0.000 0.770 12 P CB 0.513 32.212 31.700 -0.002 0.000 0.836 13 T N -2.604 111.945 114.554 -0.008 0.000 3.004 13 T HA 0.399 4.737 4.350 -0.019 0.000 0.266 13 T C 0.756 175.460 174.700 0.006 0.000 0.986 13 T CA -0.136 61.965 62.100 0.000 0.000 0.902 13 T CB 0.033 68.899 68.868 -0.003 0.000 1.118 13 T HN 0.485 nan 8.240 nan 0.000 0.522 14 A N 1.322 124.139 122.820 -0.005 0.000 2.351 14 A HA 0.659 4.967 4.320 -0.019 0.000 0.257 14 A C -0.049 177.538 177.584 0.005 0.000 1.087 14 A CA -0.413 51.622 52.037 -0.004 0.000 0.798 14 A CB 0.517 19.506 19.000 -0.018 0.000 1.033 14 A HN 0.319 nan 8.150 nan 0.000 0.488 15 V N 3.317 123.242 119.914 0.019 0.000 2.350 15 V HA 0.162 4.270 4.120 -0.019 0.000 0.276 15 V C 0.310 176.414 176.094 0.017 0.000 1.028 15 V CA -0.445 61.878 62.300 0.038 0.000 0.860 15 V CB 0.972 32.854 31.823 0.098 0.000 0.990 15 V HN 0.969 nan 8.190 nan 0.000 0.453 16 N N 3.466 122.165 118.700 -0.002 0.000 2.415 16 N HA 0.189 4.918 4.740 -0.019 0.000 0.174 16 N C 0.596 176.099 175.510 -0.011 0.000 1.048 16 N CA 0.803 53.843 53.050 -0.018 0.000 0.895 16 N CB 1.005 39.466 38.487 -0.042 0.000 1.036 16 N HN 0.760 nan 8.380 nan 0.000 0.449 17 G N -0.425 108.373 108.800 -0.003 0.000 2.703 17 G HA2 0.532 4.481 3.960 -0.019 0.000 0.294 17 G HA3 0.532 4.481 3.960 -0.019 0.000 0.294 17 G C -1.353 173.553 174.900 0.010 0.000 1.451 17 G CA -0.508 44.590 45.100 -0.003 0.000 0.869 17 G HN 0.233 nan 8.290 nan 0.000 0.516 18 c N -0.930 117.682 118.600 0.019 0.000 3.241 18 c HA 0.893 5.451 4.570 -0.019 0.000 0.348 18 c C -1.034 173.058 174.090 0.003 0.000 1.180 18 c CA -0.988 55.346 56.329 0.008 0.000 1.273 18 c CB 1.045 43.606 42.510 0.085 0.000 1.620 18 c HN 1.402 nan 8.230 nan 0.000 0.510 19 V N 0.765 120.657 119.914 -0.036 0.000 3.120 19 V HA 0.852 4.961 4.120 -0.019 0.000 0.303 19 V C -0.674 175.389 176.094 -0.051 0.000 1.238 19 V CA 0.389 62.676 62.300 -0.022 0.000 1.008 19 V CB 2.464 34.270 31.823 -0.029 0.000 1.064 19 V HN 1.312 nan 8.190 nan 0.000 0.434 20 T N 2.956 117.493 114.554 -0.028 0.000 2.893 20 T HA 0.949 5.288 4.350 -0.019 0.000 0.291 20 T C -0.222 174.439 174.700 -0.065 0.000 1.028 20 T CA 0.463 62.526 62.100 -0.062 0.000 0.995 20 T CB 1.354 70.190 68.868 -0.054 0.000 1.051 20 T HN 1.817 nan 8.240 nan 0.000 0.470 21 G N 1.927 110.641 108.800 -0.144 0.000 2.333 21 G HA2 0.271 4.219 3.960 -0.019 0.000 0.288 21 G HA3 0.271 4.219 3.960 -0.019 0.000 0.288 21 G C -1.921 172.799 174.900 -0.299 0.000 1.286 21 G CA -0.825 44.148 45.100 -0.211 0.000 0.865 21 G HN 0.773 nan 8.290 nan 0.000 0.506 22 H N 0.234 119.350 119.070 0.076 0.000 2.741 22 H HA 0.511 5.055 4.556 -0.019 0.000 0.261 22 H C 0.173 175.567 175.328 0.110 0.000 1.365 22 H CA -0.434 55.654 56.048 0.066 0.000 1.266 22 H CB 0.811 30.598 29.762 0.040 0.000 1.485 22 H HN 0.383 nan 8.280 nan 0.000 0.529 23 F N 0.947 120.891 119.950 -0.009 0.000 2.680 23 F HA 0.074 4.590 4.527 -0.018 0.000 0.290 23 F C 1.543 177.319 175.800 -0.040 0.000 1.114 23 F CA 0.457 58.440 58.000 -0.029 0.000 1.333 23 F CB 0.563 39.515 39.000 -0.081 0.000 1.091 23 F HN 0.312 nan 8.300 nan 0.000 0.606 24 T N -0.204 114.260 114.554 -0.151 0.000 2.814 24 T HA 0.134 4.472 4.350 -0.019 0.000 0.254 24 T C 0.566 175.266 174.700 -0.001 0.000 1.037 24 T CA 1.188 63.143 62.100 -0.243 0.000 1.143 24 T CB -0.213 68.460 68.868 -0.324 0.000 0.866 24 T HN 0.126 nan 8.240 nan 0.000 0.431 25 S N -0.450 115.259 115.700 0.016 0.000 2.667 25 S HA 0.724 5.182 4.470 -0.019 0.000 0.292 25 S C 1.030 175.667 174.600 0.061 0.000 1.126 25 S CA -0.451 57.769 58.200 0.034 0.000 0.881 25 S CB 1.712 64.932 63.200 0.033 0.000 1.132 25 S HN 0.261 nan 8.310 nan 0.000 0.492 26 A N -0.013 122.820 122.820 0.022 0.000 2.067 26 A HA 0.154 4.463 4.320 -0.019 0.000 0.217 26 A C 0.268 177.815 177.584 -0.062 0.000 1.156 26 A CA 0.742 52.765 52.037 -0.024 0.000 0.683 26 A CB -0.494 18.472 19.000 -0.056 0.000 0.808 26 A HN 0.760 nan 8.150 nan 0.000 0.455 27 E N 0.978 121.182 120.200 0.008 0.000 2.092 27 E HA 0.619 4.958 4.350 -0.019 0.000 0.271 27 E C -1.492 175.171 176.600 0.105 0.000 0.919 27 E CA -0.586 55.844 56.400 0.050 0.000 0.760 27 E CB 0.853 30.565 29.700 0.020 0.000 1.106 27 E HN 0.090 nan 8.360 nan 0.000 0.408 28 D N 1.608 122.129 120.400 0.202 0.000 2.369 28 D HA 0.068 4.696 4.640 -0.019 0.000 0.164 28 D C -2.013 174.358 176.300 0.117 0.000 0.891 28 D CA -0.431 53.645 54.000 0.126 0.000 1.027 28 D CB 0.561 41.406 40.800 0.074 0.000 4.453 28 D HN 0.404 nan 8.370 nan 0.000 0.493 29 L N 3.166 124.383 121.223 -0.010 0.000 2.265 29 L HA 0.533 4.862 4.340 -0.019 0.000 0.289 29 L C -0.642 176.158 176.870 -0.117 0.000 1.033 29 L CA -0.226 54.524 54.840 -0.150 0.000 0.814 29 L CB 0.734 42.726 42.059 -0.110 0.000 1.203 29 L HN 0.233 nan 8.230 nan 0.000 0.423 30 N N 4.410 123.024 118.700 -0.143 0.000 2.443 30 N HA 0.415 5.143 4.740 -0.019 0.000 0.295 30 N C -1.164 174.280 175.510 -0.110 0.000 1.076 30 N CA -0.528 52.465 53.050 -0.096 0.000 0.919 30 N CB 2.430 40.879 38.487 -0.064 0.000 1.176 30 N HN 0.419 nan 8.380 nan 0.000 0.487 31 L N 2.409 123.578 121.223 -0.089 0.000 2.282 31 L HA 0.475 4.804 4.340 -0.019 0.000 0.288 31 L C -1.383 175.426 176.870 -0.103 0.000 1.033 31 L CA -0.526 54.234 54.840 -0.133 0.000 0.807 31 L CB 0.788 42.706 42.059 -0.235 0.000 1.209 31 L HN 0.282 nan 8.230 nan 0.000 0.423 32 L N 6.694 127.830 121.223 -0.146 0.000 2.287 32 L HA 0.555 4.883 4.340 -0.019 0.000 0.287 32 L C -0.537 176.246 176.870 -0.144 0.000 1.022 32 L CA 0.037 54.779 54.840 -0.163 0.000 0.814 32 L CB 1.340 43.268 42.059 -0.219 0.000 1.217 32 L HN 0.550 nan 8.230 nan 0.000 0.420 33 I N 3.098 123.596 120.570 -0.120 0.000 2.436 33 I HA 0.580 4.739 4.170 -0.019 0.000 0.289 33 I C -0.138 175.932 176.117 -0.078 0.000 1.010 33 I CA -0.604 60.641 61.300 -0.092 0.000 1.098 33 I CB 1.991 39.937 38.000 -0.090 0.000 1.266 33 I HN 0.663 nan 8.210 nan 0.000 0.434 34 A N 6.105 128.886 122.820 -0.065 0.000 2.260 34 A HA 0.576 4.885 4.320 -0.019 0.000 0.308 34 A C 0.167 177.721 177.584 -0.049 0.000 1.254 34 A CA -0.445 51.548 52.037 -0.075 0.000 0.874 34 A CB 0.823 19.772 19.000 -0.086 0.000 1.153 34 A HN 0.678 nan 8.150 nan 0.000 0.527 35 K N 1.268 121.635 120.400 -0.054 0.000 2.293 35 K HA 0.129 4.438 4.320 -0.019 0.000 0.198 35 K C 1.446 178.012 176.600 -0.056 0.000 1.066 35 K CA 1.439 57.702 56.287 -0.041 0.000 1.070 35 K CB -0.171 32.310 32.500 -0.033 0.000 1.374 35 K HN 0.711 nan 8.250 nan 0.000 0.461 36 N N -1.361 117.303 118.700 -0.059 0.000 2.984 36 N HA -0.029 4.700 4.740 -0.019 0.000 0.235 36 N C 0.224 175.674 175.510 -0.099 0.000 1.025 36 N CA 1.454 54.460 53.050 -0.073 0.000 1.173 36 N CB 0.027 38.483 38.487 -0.051 0.000 1.615 36 N HN 0.275 nan 8.380 nan 0.000 0.560 37 T N -1.034 113.470 114.554 -0.084 0.000 3.258 37 T HA 0.508 4.847 4.350 -0.019 0.000 0.263 37 T C 0.038 174.666 174.700 -0.121 0.000 0.983 37 T CA -0.462 61.552 62.100 -0.143 0.000 0.907 37 T CB 0.008 68.820 68.868 -0.094 0.000 1.096 37 T HN -0.038 nan 8.240 nan 0.000 0.556 38 R N 0.750 121.189 120.500 -0.103 0.000 2.604 38 R HA 0.581 4.910 4.340 -0.019 0.000 0.281 38 R C -1.924 174.313 176.300 -0.105 0.000 1.020 38 R CA -0.848 55.198 56.100 -0.090 0.000 0.899 38 R CB 2.414 32.680 30.300 -0.055 0.000 1.205 38 R HN 0.299 nan 8.270 nan 0.000 0.450 39 L N 1.849 123.003 121.223 -0.116 0.000 2.376 39 L HA 0.474 4.802 4.340 -0.019 0.000 0.275 39 L C -0.718 176.065 176.870 -0.145 0.000 0.987 39 L CA -0.152 54.608 54.840 -0.133 0.000 0.828 39 L CB 1.765 43.736 42.059 -0.147 0.000 1.249 39 L HN 0.547 nan 8.230 nan 0.000 0.409 40 E N 4.915 125.021 120.200 -0.157 0.000 2.183 40 E HA 0.601 4.940 4.350 -0.019 0.000 0.271 40 E C -1.202 175.216 176.600 -0.303 0.000 0.919 40 E CA -0.437 55.817 56.400 -0.242 0.000 0.781 40 E CB 2.091 31.699 29.700 -0.154 0.000 1.140 40 E HN 0.540 nan 8.360 nan 0.000 0.402 41 I N 3.516 123.804 120.570 -0.470 0.000 2.418 41 I HA 0.346 4.505 4.170 -0.019 0.000 0.287 41 I C -1.099 174.690 176.117 -0.547 0.000 1.008 41 I CA -0.643 60.432 61.300 -0.374 0.000 1.104 41 I CB 0.791 38.647 38.000 -0.239 0.000 1.264 41 I HN 0.470 nan 8.210 nan 0.000 0.438 42 Y N 4.397 124.589 120.300 -0.181 0.000 2.562 42 Y HA 0.655 5.195 4.550 -0.017 0.000 0.343 42 Y C -0.191 175.624 175.900 -0.143 0.000 1.025 42 Y CA -1.024 56.978 58.100 -0.163 0.000 1.082 42 Y CB 2.158 40.493 38.460 -0.208 0.000 1.264 42 Y HN 0.112 nan 8.280 nan 0.000 0.478 43 V N 2.928 122.876 119.914 0.056 0.000 2.417 43 V HA 0.354 4.462 4.120 -0.019 0.000 0.291 43 V C -0.549 175.554 176.094 0.015 0.000 1.024 43 V CA -1.032 61.272 62.300 0.005 0.000 0.861 43 V CB 1.434 33.251 31.823 -0.010 0.000 0.985 43 V HN 0.514 nan 8.190 nan 0.000 0.436 44 V N 4.955 124.858 119.914 -0.018 0.000 2.614 44 V HA 0.597 4.706 4.120 -0.019 0.000 0.291 44 V C 0.595 176.681 176.094 -0.014 0.000 1.049 44 V CA 0.154 62.435 62.300 -0.032 0.000 1.038 44 V CB 1.057 32.841 31.823 -0.066 0.000 0.980 44 V HN 1.120 nan 8.190 nan 0.000 0.481 45 T N 0.770 115.320 114.554 -0.007 0.000 2.754 45 T HA 0.664 5.003 4.350 -0.019 0.000 0.296 45 T C 0.987 175.690 174.700 0.004 0.000 1.205 45 T CA -0.073 62.030 62.100 0.005 0.000 1.009 45 T CB 1.636 70.515 68.868 0.019 0.000 1.368 45 T HN 0.712 nan 8.240 nan 0.000 0.509 46 A N 0.481 123.308 122.820 0.011 0.000 1.915 46 A HA -0.205 4.103 4.320 -0.019 0.000 0.220 46 A C 2.113 179.706 177.584 0.015 0.000 1.198 46 A CA 2.411 54.456 52.037 0.013 0.000 0.647 46 A CB -1.206 17.805 19.000 0.018 0.000 0.825 46 A HN 0.940 nan 8.150 nan 0.000 0.456 47 E N -0.618 119.595 120.200 0.022 0.000 2.150 47 E HA 0.154 4.493 4.350 -0.019 0.000 0.193 47 E C 1.162 177.778 176.600 0.025 0.000 0.985 47 E CA 1.362 57.778 56.400 0.026 0.000 0.814 47 E CB -0.111 29.610 29.700 0.035 0.000 0.752 47 E HN 0.731 nan 8.360 nan 0.000 0.466 48 G N 0.051 108.862 108.800 0.019 0.000 2.217 48 G HA2 -0.080 3.869 3.960 -0.019 0.000 0.126 48 G HA3 -0.080 3.869 3.960 -0.019 0.000 0.126 48 G C -1.456 173.447 174.900 0.004 0.000 1.293 48 G CA -0.204 44.906 45.100 0.015 0.000 1.219 48 G HN 0.060 nan 8.290 nan 0.000 0.477 49 L N 1.905 123.124 121.223 -0.008 0.000 2.278 49 L HA 0.563 4.891 4.340 -0.019 0.000 0.287 49 L C 0.991 177.909 176.870 0.081 0.000 1.072 49 L CA -0.267 54.556 54.840 -0.029 0.000 0.819 49 L CB 0.966 42.861 42.059 -0.273 0.000 1.176 49 L HN 0.596 nan 8.230 nan 0.000 0.435 50 R N 5.584 126.148 120.500 0.105 0.000 2.202 50 R HA 0.395 4.724 4.340 -0.019 0.000 0.334 50 R C -2.391 174.004 176.300 0.159 0.000 1.036 50 R CA -1.563 54.606 56.100 0.115 0.000 0.878 50 R CB 1.200 31.539 30.300 0.064 0.000 1.067 50 R HN 0.312 nan 8.270 nan 0.000 0.457 51 P HA 0.051 nan 4.420 nan 0.000 0.275 51 P C -0.309 176.935 177.300 -0.094 0.000 1.228 51 P CA -0.221 62.862 63.100 -0.028 0.000 0.786 51 P CB 1.270 32.983 31.700 0.021 0.000 0.927 52 V N 0.273 120.063 119.914 -0.207 0.000 3.154 52 V HA 0.252 4.360 4.120 -0.019 0.000 0.221 52 V C -0.121 175.921 176.094 -0.087 0.000 1.504 52 V CA 0.609 62.838 62.300 -0.117 0.000 1.243 52 V CB 0.246 31.988 31.823 -0.135 0.000 1.115 52 V HN 0.438 nan 8.190 nan 0.000 0.481 53 K N 1.157 121.461 120.400 -0.159 0.000 2.606 53 K HA 0.325 4.634 4.320 -0.019 0.000 0.259 53 K C -1.405 175.106 176.600 -0.148 0.000 1.001 53 K CA -0.052 56.187 56.287 -0.080 0.000 0.881 53 K CB 1.521 34.063 32.500 0.071 0.000 1.288 53 K HN 0.103 nan 8.250 nan 0.000 0.452 54 E N 4.491 124.614 120.200 -0.128 0.000 2.102 54 E HA 0.325 4.664 4.350 -0.019 0.000 0.263 54 E C -0.831 175.719 176.600 -0.083 0.000 0.894 54 E CA -0.611 55.710 56.400 -0.132 0.000 0.746 54 E CB 1.002 30.629 29.700 -0.123 0.000 1.129 54 E HN 0.482 nan 8.360 nan 0.000 0.416 55 V N 1.008 120.871 119.914 -0.084 0.000 2.881 55 V HA 0.908 5.016 4.120 -0.019 0.000 0.316 55 V C 0.445 176.478 176.094 -0.101 0.000 1.070 55 V CA -0.832 61.419 62.300 -0.081 0.000 0.976 55 V CB 1.709 33.487 31.823 -0.076 0.000 1.038 55 V HN 0.516 nan 8.190 nan 0.000 0.446 56 G N 2.041 110.774 108.800 -0.110 0.000 2.410 56 G HA2 0.675 4.624 3.960 -0.019 0.000 0.330 56 G HA3 0.675 4.624 3.960 -0.019 0.000 0.330 56 G C -0.792 173.963 174.900 -0.241 0.000 1.142 56 G CA -0.913 44.106 45.100 -0.135 0.000 0.902 56 G HN 0.713 nan 8.290 nan 0.000 0.491 57 M N 0.094 119.525 119.600 -0.281 0.000 2.662 57 M HA 0.298 4.767 4.480 -0.019 0.000 0.310 57 M C -1.062 174.931 176.300 -0.511 0.000 1.204 57 M CA -0.799 54.256 55.300 -0.409 0.000 0.891 57 M CB 2.555 34.951 32.600 -0.340 0.000 1.732 57 M HN 0.468 nan 8.290 nan 0.000 0.467 58 Y N 0.819 120.744 120.300 -0.625 0.000 2.880 58 Y HA 0.564 5.102 4.550 -0.019 0.000 0.386 58 Y C 0.701 175.725 175.900 -1.460 0.000 1.172 58 Y CA -0.737 56.628 58.100 -1.225 0.000 1.770 58 Y CB -0.463 37.670 38.460 -0.546 0.000 1.809 58 Y HN 0.721 nan 8.280 nan 0.000 0.472 59 G N -0.082 107.883 108.800 -1.392 0.000 2.451 59 G HA2 0.374 4.323 3.960 -0.019 0.000 0.292 59 G HA3 0.374 4.323 3.960 -0.019 0.000 0.292 59 G C -1.552 173.004 174.900 -0.573 0.000 1.427 59 G CA -1.268 43.284 45.100 -0.913 0.000 0.792 59 G HN 0.026 nan 8.290 nan 0.000 0.498 60 K N 0.956 121.232 120.400 -0.206 0.000 2.253 60 K HA 0.412 4.721 4.320 -0.019 0.000 0.277 60 K C 0.394 176.893 176.600 -0.168 0.000 1.053 60 K CA -0.430 55.773 56.287 -0.139 0.000 0.892 60 K CB 1.624 34.083 32.500 -0.068 0.000 1.102 60 K HN 0.370 nan 8.250 nan 0.000 0.469 61 I N 2.789 123.252 120.570 -0.179 0.000 2.742 61 I HA -0.137 4.022 4.170 -0.019 0.000 0.287 61 I C 1.064 177.093 176.117 -0.148 0.000 1.186 61 I CA 0.348 61.543 61.300 -0.176 0.000 1.417 61 I CB 0.628 38.528 38.000 -0.167 0.000 1.377 61 I HN 0.809 nan 8.210 nan 0.000 0.556 62 A N 6.444 129.170 122.820 -0.157 0.000 2.127 62 A HA 0.422 4.730 4.320 -0.019 0.000 0.204 62 A C 0.481 178.007 177.584 -0.097 0.000 1.243 62 A CA 0.231 52.191 52.037 -0.128 0.000 0.887 62 A CB 0.677 19.584 19.000 -0.155 0.000 0.933 62 A HN 0.468 nan 8.150 nan 0.000 0.479 63 V N 0.302 120.148 119.914 -0.113 0.000 2.686 63 V HA 0.568 4.676 4.120 -0.019 0.000 0.306 63 V C -0.816 175.216 176.094 -0.103 0.000 1.065 63 V CA -0.229 62.038 62.300 -0.054 0.000 0.894 63 V CB 1.662 33.505 31.823 0.033 0.000 1.004 63 V HN 0.490 nan 8.190 nan 0.000 0.424 64 M N 4.310 123.889 119.600 -0.034 0.000 2.122 64 M HA 0.603 5.071 4.480 -0.019 0.000 0.269 64 M C -1.660 174.665 176.300 0.042 0.000 0.954 64 M CA -0.137 55.133 55.300 -0.049 0.000 0.998 64 M CB 1.393 33.938 32.600 -0.090 0.000 1.755 64 M HN 0.591 nan 8.290 nan 0.000 0.459 65 E N 4.281 124.563 120.200 0.136 0.000 2.266 65 E HA 0.555 4.893 4.350 -0.019 0.000 0.268 65 E C -1.479 175.261 176.600 0.232 0.000 0.879 65 E CA -0.574 55.935 56.400 0.181 0.000 0.762 65 E CB 2.980 32.807 29.700 0.211 0.000 1.199 65 E HN 0.770 nan 8.360 nan 0.000 0.422 66 L N 3.410 124.760 121.223 0.211 0.000 2.309 66 L HA 0.606 4.934 4.340 -0.019 0.000 0.282 66 L C -0.341 176.767 176.870 0.397 0.000 1.036 66 L CA -0.784 54.215 54.840 0.264 0.000 0.806 66 L CB 0.542 42.680 42.059 0.130 0.000 1.220 66 L HN 0.531 nan 8.230 nan 0.000 0.429 67 F N 1.375 121.403 119.950 0.130 0.000 2.741 67 F HA 0.755 5.271 4.527 -0.019 0.000 0.313 67 F C -1.159 174.708 175.800 0.112 0.000 1.153 67 F CA -1.227 56.839 58.000 0.110 0.000 0.931 67 F CB 1.886 40.932 39.000 0.077 0.000 1.335 67 F HN 0.289 nan 8.300 nan 0.000 0.460 68 R N 2.258 122.708 120.500 -0.083 0.000 2.512 68 R HA 0.594 4.923 4.340 -0.019 0.000 0.291 68 R C -3.123 173.164 176.300 -0.021 0.000 1.097 68 R CA -1.490 54.503 56.100 -0.178 0.000 0.940 68 R CB 2.265 32.537 30.300 -0.047 0.000 1.198 68 R HN 0.575 nan 8.270 nan 0.000 0.429 69 P HA 0.323 nan 4.420 nan 0.000 0.310 69 P C -1.086 176.220 177.300 0.009 0.000 1.309 69 P CA -0.706 62.420 63.100 0.043 0.000 0.769 69 P CB 0.648 32.401 31.700 0.089 0.000 1.327 70 K N -0.451 119.962 120.400 0.021 0.000 2.326 70 K HA 0.339 4.647 4.320 -0.019 0.000 0.275 70 K C 1.266 177.867 176.600 0.001 0.000 1.018 70 K CA 0.527 56.822 56.287 0.013 0.000 0.962 70 K CB -0.692 31.818 32.500 0.018 0.000 0.953 70 K HN 0.898 nan 8.250 nan 0.000 0.475 71 G N 1.586 110.384 108.800 -0.003 0.000 2.168 71 G HA2 -0.243 3.705 3.960 -0.019 0.000 0.263 71 G HA3 -0.243 3.705 3.960 -0.019 0.000 0.263 71 G C -0.071 174.818 174.900 -0.018 0.000 0.977 71 G CA 0.140 45.235 45.100 -0.008 0.000 0.659 71 G HN 0.540 nan 8.290 nan 0.000 0.533 72 E N 0.716 120.901 120.200 -0.026 0.000 2.229 72 E HA 0.409 4.748 4.350 -0.019 0.000 0.283 72 E C 1.680 178.254 176.600 -0.042 0.000 1.030 72 E CA 0.419 56.793 56.400 -0.044 0.000 0.836 72 E CB 1.209 30.866 29.700 -0.072 0.000 1.068 72 E HN 0.398 nan 8.360 nan 0.000 0.401 73 S N 3.838 119.513 115.700 -0.043 0.000 2.348 73 S HA -0.147 4.311 4.470 -0.019 0.000 0.221 73 S C 0.941 175.517 174.600 -0.039 0.000 1.033 73 S CA 1.026 59.203 58.200 -0.039 0.000 1.010 73 S CB -0.079 63.098 63.200 -0.039 0.000 0.891 73 S HN 0.560 nan 8.310 nan 0.000 0.442 74 K N 0.338 120.712 120.400 -0.044 0.000 2.399 74 K HA 0.508 4.817 4.320 -0.019 0.000 0.260 74 K C -1.882 174.700 176.600 -0.029 0.000 1.049 74 K CA -0.929 55.343 56.287 -0.024 0.000 0.890 74 K CB 0.619 33.107 32.500 -0.021 0.000 1.430 74 K HN -0.182 nan 8.250 nan 0.000 0.459 75 D N 0.651 121.075 120.400 0.039 0.000 2.382 75 D HA 0.274 4.903 4.640 -0.019 0.000 0.240 75 D C -0.296 176.068 176.300 0.106 0.000 1.146 75 D CA 0.059 54.097 54.000 0.064 0.000 0.897 75 D CB 0.558 41.477 40.800 0.198 0.000 1.197 75 D HN 0.326 nan 8.370 nan 0.000 0.432 76 L N 1.099 122.307 121.223 -0.024 0.000 2.333 76 L HA 0.425 4.753 4.340 -0.019 0.000 0.269 76 L C -0.751 176.297 176.870 0.296 0.000 1.010 76 L CA -1.214 53.677 54.840 0.086 0.000 0.818 76 L CB 1.652 43.549 42.059 -0.271 0.000 1.306 76 L HN 0.108 nan 8.230 nan 0.000 0.430 77 L N 1.835 123.309 121.223 0.419 0.000 2.287 77 L HA 0.466 4.795 4.340 -0.019 0.000 0.287 77 L C -0.966 176.113 176.870 0.348 0.000 1.022 77 L CA -0.021 54.964 54.840 0.241 0.000 0.814 77 L CB 1.055 43.028 42.059 -0.144 0.000 1.217 77 L HN 0.313 nan 8.230 nan 0.000 0.420 78 F N 6.597 126.669 119.950 0.204 0.000 2.408 78 F HA 0.647 5.162 4.527 -0.019 0.000 0.344 78 F C -0.693 175.104 175.800 -0.004 0.000 1.112 78 F CA -0.712 57.338 58.000 0.083 0.000 1.096 78 F CB 0.708 39.678 39.000 -0.050 0.000 1.129 78 F HN 0.252 nan 8.300 nan 0.000 0.486 79 I N 7.895 127.882 120.570 -0.972 0.000 2.478 79 I HA 0.300 4.459 4.170 -0.019 0.000 0.287 79 I C -1.467 174.079 176.117 -0.951 0.000 1.042 79 I CA -0.802 60.038 61.300 -0.768 0.000 1.067 79 I CB 1.618 39.383 38.000 -0.392 0.000 1.233 79 I HN 0.486 nan 8.210 nan 0.000 0.431 80 L N 6.110 126.906 121.223 -0.712 0.000 2.333 80 L HA 0.569 4.898 4.340 -0.019 0.000 0.280 80 L C 0.123 176.832 176.870 -0.269 0.000 1.004 80 L CA 0.218 54.809 54.840 -0.416 0.000 0.820 80 L CB 1.835 43.754 42.059 -0.232 0.000 1.247 80 L HN 0.545 nan 8.230 nan 0.000 0.416 81 T N 3.670 118.091 114.554 -0.222 0.000 2.913 81 T HA 0.367 4.706 4.350 -0.019 0.000 0.287 81 T C 1.340 175.877 174.700 -0.271 0.000 1.008 81 T CA 0.283 62.263 62.100 -0.200 0.000 1.067 81 T CB 1.597 70.385 68.868 -0.133 0.000 0.996 81 T HN 0.793 nan 8.240 nan 0.000 0.513 82 A N 2.223 124.896 122.820 -0.246 0.000 2.076 82 A HA -0.072 4.237 4.320 -0.019 0.000 0.220 82 A C 1.610 178.915 177.584 -0.466 0.000 1.160 82 A CA 1.379 53.222 52.037 -0.322 0.000 0.653 82 A CB -0.293 18.630 19.000 -0.128 0.000 0.801 82 A HN 0.763 nan 8.150 nan 0.000 0.455 83 K N -1.617 118.639 120.400 -0.241 0.000 2.576 83 K HA 0.314 4.623 4.320 -0.019 0.000 0.209 83 K C -0.853 175.890 176.600 0.238 0.000 1.049 83 K CA -0.355 55.908 56.287 -0.040 0.000 1.140 83 K CB 0.066 32.567 32.500 0.001 0.000 0.871 83 K HN 0.446 nan 8.250 nan 0.000 0.479 84 Y N -1.920 118.412 120.300 0.054 0.000 4.668 84 Y HA -0.309 4.230 4.550 -0.019 0.000 0.234 84 Y C -0.578 175.337 175.900 0.027 0.000 1.056 84 Y CA -0.073 58.047 58.100 0.033 0.000 2.025 84 Y CB -2.924 35.567 38.460 0.052 0.000 1.613 84 Y HN 0.263 nan 8.280 nan 0.000 0.653 85 N N 1.346 120.113 118.700 0.111 0.000 2.452 85 N HA 0.458 5.187 4.740 -0.019 0.000 0.266 85 N C 0.108 175.600 175.510 -0.030 0.000 1.209 85 N CA 0.584 53.653 53.050 0.032 0.000 0.929 85 N CB 0.686 39.193 38.487 0.033 0.000 1.063 85 N HN 0.461 nan 8.380 nan 0.000 0.472 86 A N 1.577 124.391 122.820 -0.009 0.000 2.337 86 A HA 0.840 5.148 4.320 -0.019 0.000 0.331 86 A C -0.281 177.295 177.584 -0.012 0.000 1.137 86 A CA -0.675 51.334 52.037 -0.047 0.000 0.807 86 A CB 0.639 19.691 19.000 0.086 0.000 1.250 86 A HN 0.918 nan 8.150 nan 0.000 0.468 87 C N 0.040 119.286 119.300 -0.090 0.000 3.307 87 C HA 0.759 5.208 4.460 -0.019 0.000 0.333 87 C C -1.163 173.870 174.990 0.071 0.000 1.291 87 C CA -0.809 58.227 59.018 0.030 0.000 1.273 87 C CB -0.151 27.582 27.740 -0.011 0.000 1.580 87 C HN 0.804 nan 8.230 nan 0.000 0.481 88 I N 2.015 122.689 120.570 0.174 0.000 2.474 88 I HA 0.606 4.764 4.170 -0.019 0.000 0.294 88 I C -0.600 175.628 176.117 0.184 0.000 1.005 88 I CA -0.629 60.824 61.300 0.254 0.000 1.113 88 I CB 1.707 39.898 38.000 0.318 0.000 1.289 88 I HN 0.587 nan 8.210 nan 0.000 0.436 89 L N 5.480 126.837 121.223 0.224 0.000 2.362 89 L HA 0.587 4.916 4.340 -0.019 0.000 0.271 89 L C -0.470 176.599 176.870 0.332 0.000 1.002 89 L CA -0.628 54.349 54.840 0.229 0.000 0.818 89 L CB 2.329 44.508 42.059 0.200 0.000 1.298 89 L HN 0.566 nan 8.230 nan 0.000 0.420 90 E N 1.167 121.484 120.200 0.195 0.000 2.248 90 E HA 0.256 4.595 4.350 -0.019 0.000 0.267 90 E C -1.899 174.619 176.600 -0.137 0.000 0.877 90 E CA -0.755 55.651 56.400 0.011 0.000 0.759 90 E CB 2.447 32.124 29.700 -0.039 0.000 1.182 90 E HN 0.453 nan 8.360 nan 0.000 0.418 91 Y N 3.651 123.534 120.300 -0.695 0.000 2.365 91 Y HA 0.288 4.830 4.550 -0.013 0.000 0.340 91 Y C -0.750 174.942 175.900 -0.347 0.000 1.016 91 Y CA -0.247 57.464 58.100 -0.649 0.000 1.196 91 Y CB 0.684 38.456 38.460 -1.147 0.000 1.167 91 Y HN 0.318 nan 8.280 nan 0.000 0.509 92 K N 5.503 125.377 120.400 -0.875 0.000 2.559 92 K HA 0.279 4.588 4.320 -0.019 0.000 0.249 92 K C -1.485 174.733 176.600 -0.636 0.000 0.958 92 K CA -0.592 55.350 56.287 -0.576 0.000 0.901 92 K CB 1.007 33.312 32.500 -0.324 0.000 1.124 92 K HN 0.720 nan 8.250 nan 0.000 0.437 93 Q N 2.756 122.262 119.800 -0.489 0.000 2.368 93 Q HA 0.279 4.608 4.340 -0.019 0.000 0.256 93 Q C -0.890 175.003 176.000 -0.177 0.000 0.980 93 Q CA -0.315 55.304 55.803 -0.307 0.000 0.887 93 Q CB 1.092 29.727 28.738 -0.171 0.000 1.221 93 Q HN 0.616 nan 8.270 nan 0.000 0.458 94 S N 3.888 119.497 115.700 -0.152 0.000 4.085 94 S HA 0.226 4.685 4.470 -0.019 0.000 0.189 94 S C 1.019 175.572 174.600 -0.078 0.000 1.392 94 S CA 0.300 58.437 58.200 -0.104 0.000 0.972 94 S CB -0.284 62.860 63.200 -0.094 0.000 1.482 94 S HN 1.036 nan 8.310 nan 0.000 0.446 95 G N 2.950 111.708 108.800 -0.071 0.000 4.825 95 G HA2 -0.396 3.553 3.960 -0.019 0.000 0.224 95 G HA3 -0.396 3.553 3.960 -0.019 0.000 0.224 95 G C 0.977 175.850 174.900 -0.046 0.000 1.356 95 G CA 0.688 45.758 45.100 -0.051 0.000 0.966 95 G HN 0.629 nan 8.290 nan 0.000 0.690 96 E N 0.907 121.079 120.200 -0.047 0.000 2.490 96 E HA 0.384 4.722 4.350 -0.019 0.000 0.209 96 E C 0.829 177.403 176.600 -0.043 0.000 0.971 96 E CA 1.012 57.388 56.400 -0.040 0.000 0.988 96 E CB 0.303 29.984 29.700 -0.032 0.000 1.029 96 E HN 0.431 nan 8.360 nan 0.000 0.496 97 S N 1.408 117.072 115.700 -0.059 0.000 2.593 97 S HA 0.624 5.083 4.470 -0.019 0.000 0.297 97 S C -0.132 174.402 174.600 -0.111 0.000 1.112 97 S CA -0.812 57.346 58.200 -0.069 0.000 1.043 97 S CB 1.060 64.221 63.200 -0.064 0.000 1.054 97 S HN 0.326 nan 8.310 nan 0.000 0.516 98 I N 0.642 121.146 120.570 -0.110 0.000 2.498 98 I HA 0.676 4.834 4.170 -0.019 0.000 0.290 98 I C -1.112 174.907 176.117 -0.162 0.000 1.032 98 I CA -0.740 60.458 61.300 -0.170 0.000 1.073 98 I CB 1.643 39.610 38.000 -0.055 0.000 1.251 98 I HN 0.397 nan 8.210 nan 0.000 0.426 99 D N 5.808 126.057 120.400 -0.251 0.000 2.990 99 D HA 0.468 5.097 4.640 -0.019 0.000 0.227 99 D C -0.862 175.328 176.300 -0.183 0.000 1.249 99 D CA -0.127 53.770 54.000 -0.173 0.000 0.891 99 D CB 3.293 44.000 40.800 -0.156 0.000 1.647 99 D HN 0.378 nan 8.370 nan 0.000 0.530 100 I N 2.430 122.962 120.570 -0.063 0.000 2.315 100 I HA 0.305 4.464 4.170 -0.019 0.000 0.291 100 I C 0.260 176.363 176.117 -0.023 0.000 1.006 100 I CA -0.230 61.078 61.300 0.013 0.000 1.265 100 I CB 1.189 39.259 38.000 0.116 0.000 1.387 100 I HN 0.224 nan 8.210 nan 0.000 0.475 101 I N 5.113 125.668 120.570 -0.025 0.000 2.525 101 I HA 0.325 4.484 4.170 -0.019 0.000 0.301 101 I C -0.209 175.905 176.117 -0.005 0.000 0.992 101 I CA -0.410 60.869 61.300 -0.037 0.000 1.162 101 I CB 1.672 39.636 38.000 -0.059 0.000 1.332 101 I HN 0.469 nan 8.210 nan 0.000 0.458 102 T N 6.696 121.233 114.554 -0.029 0.000 2.794 102 T HA 0.281 4.619 4.350 -0.019 0.000 0.304 102 T C 1.187 175.898 174.700 0.019 0.000 0.973 102 T CA -0.540 61.549 62.100 -0.020 0.000 0.972 102 T CB 0.390 69.194 68.868 -0.106 0.000 0.952 102 T HN 0.477 nan 8.240 nan 0.000 0.509 103 R N 1.598 122.135 120.500 0.063 0.000 2.148 103 R HA 0.274 4.603 4.340 -0.019 0.000 0.223 103 R C 0.810 177.180 176.300 0.115 0.000 1.088 103 R CA 0.308 56.455 56.100 0.080 0.000 0.985 103 R CB -0.050 30.303 30.300 0.089 0.000 0.880 103 R HN 0.700 nan 8.270 nan 0.000 0.451 104 A N 0.386 123.299 122.820 0.155 0.000 2.586 104 A HA 0.571 4.879 4.320 -0.019 0.000 0.291 104 A C -1.413 176.342 177.584 0.285 0.000 1.062 104 A CA -0.785 51.375 52.037 0.205 0.000 0.666 104 A CB 1.384 20.478 19.000 0.157 0.000 1.281 104 A HN 0.447 nan 8.150 nan 0.000 0.421 105 H N -0.816 118.278 119.070 0.039 0.000 3.020 105 H HA 0.709 5.255 4.556 -0.017 0.000 0.303 105 H C -0.636 174.696 175.328 0.007 0.000 1.332 105 H CA -0.296 55.764 56.048 0.020 0.000 1.282 105 H CB 0.779 30.537 29.762 -0.006 0.000 1.928 105 H HN 2.164 nan 8.280 nan 0.000 0.519 106 G N 0.672 109.408 108.800 -0.107 0.000 2.495 106 G HA2 0.188 4.136 3.960 -0.019 0.000 0.294 106 G HA3 0.188 4.136 3.960 -0.019 0.000 0.294 106 G C -1.801 173.063 174.900 -0.060 0.000 1.397 106 G CA -0.906 44.086 45.100 -0.179 0.000 0.790 106 G HN 0.704 nan 8.290 nan 0.000 0.486 107 N N 0.067 118.722 118.700 -0.075 0.000 2.425 107 N HA 0.320 5.048 4.740 -0.019 0.000 0.268 107 N C 0.867 176.386 175.510 0.015 0.000 0.991 107 N CA -0.108 52.925 53.050 -0.029 0.000 0.931 107 N CB 1.887 40.310 38.487 -0.106 0.000 1.130 107 N HN 0.842 nan 8.380 nan 0.000 0.493 108 V N 1.156 121.118 119.914 0.080 0.000 3.444 108 V HA 0.166 4.275 4.120 -0.019 0.000 0.308 108 V C 0.839 176.968 176.094 0.059 0.000 1.371 108 V CA -0.297 62.042 62.300 0.064 0.000 1.141 108 V CB -0.910 30.947 31.823 0.057 0.000 1.037 108 V HN 0.683 nan 8.190 nan 0.000 0.433 109 Q N 0.509 120.334 119.800 0.041 0.000 2.535 109 Q HA 0.385 4.714 4.340 -0.019 0.000 0.228 109 Q C -0.894 175.085 176.000 -0.035 0.000 1.062 109 Q CA 0.071 55.780 55.803 -0.156 0.000 0.967 109 Q CB 0.438 29.057 28.738 -0.199 0.000 1.273 109 Q HN 0.466 nan 8.270 nan 0.000 0.554 110 D N -0.578 119.792 120.400 -0.050 0.000 2.601 110 D HA 0.204 4.832 4.640 -0.019 0.000 0.230 110 D C 0.084 176.256 176.300 -0.213 0.000 1.106 110 D CA -0.732 53.187 54.000 -0.135 0.000 0.873 110 D CB 1.817 42.498 40.800 -0.198 0.000 1.515 110 D HN 0.535 nan 8.370 nan 0.000 0.468 111 R N 0.375 120.779 120.500 -0.160 0.000 2.093 111 R HA 0.097 4.426 4.340 -0.019 0.000 0.224 111 R C 0.524 176.707 176.300 -0.194 0.000 1.101 111 R CA 0.920 56.941 56.100 -0.131 0.000 0.979 111 R CB -0.240 30.012 30.300 -0.080 0.000 0.877 111 R HN 0.371 nan 8.270 nan 0.000 0.441 112 I N -0.438 119.983 120.570 -0.249 0.000 3.021 112 I HA 0.396 4.554 4.170 -0.019 0.000 0.303 112 I C 0.359 176.115 176.117 -0.602 0.000 1.044 112 I CA 0.452 61.573 61.300 -0.299 0.000 1.266 112 I CB 1.113 38.979 38.000 -0.223 0.000 1.447 112 I HN 0.354 nan 8.210 nan 0.000 0.593 113 G N 2.445 110.911 108.800 -0.556 0.000 3.435 113 G HA2 -0.084 3.865 3.960 -0.019 0.000 0.683 113 G HA3 -0.084 3.865 3.960 -0.019 0.000 0.683 113 G C -0.613 174.088 174.900 -0.331 0.000 1.189 113 G CA -0.990 43.585 45.100 -0.874 0.000 1.069 113 G HN 0.651 nan 8.290 nan 0.000 0.508 114 R N 3.600 124.084 120.500 -0.027 0.000 2.196 114 R HA 0.458 4.786 4.340 -0.019 0.000 0.340 114 R C -2.204 174.233 176.300 0.229 0.000 1.043 114 R CA -1.830 54.322 56.100 0.087 0.000 0.883 114 R CB 0.724 31.050 30.300 0.044 0.000 1.078 114 R HN 0.288 nan 8.270 nan 0.000 0.462 115 P HA -0.053 nan 4.420 nan 0.000 0.264 115 P C -0.319 177.054 177.300 0.122 0.000 1.193 115 P CA 0.101 63.355 63.100 0.256 0.000 0.763 115 P CB 1.040 32.877 31.700 0.229 0.000 0.810 116 S N 1.774 117.516 115.700 0.070 0.000 2.634 116 S HA 0.201 4.660 4.470 -0.019 0.000 0.261 116 S C 0.177 174.762 174.600 -0.026 0.000 1.271 116 S CA -0.519 57.693 58.200 0.021 0.000 0.985 116 S CB 0.330 63.535 63.200 0.008 0.000 0.968 116 S HN 0.367 nan 8.310 nan 0.000 0.568 117 E N 0.273 120.412 120.200 -0.102 0.000 2.324 117 E HA 0.300 4.638 4.350 -0.019 0.000 0.271 117 E C 0.071 176.619 176.600 -0.088 0.000 1.028 117 E CA 0.852 57.168 56.400 -0.140 0.000 0.890 117 E CB -0.421 29.045 29.700 -0.390 0.000 1.004 117 E HN 0.834 nan 8.360 nan 0.000 0.431 118 T N 1.993 116.529 114.554 -0.030 0.000 5.346 118 T HA -0.120 4.219 4.350 -0.019 0.000 0.270 118 T C 0.703 175.403 174.700 0.000 0.000 2.138 118 T CA 0.346 62.445 62.100 -0.001 0.000 3.645 118 T CB -2.368 66.508 68.868 0.013 0.000 0.789 118 T HN 1.390 nan 8.240 nan 0.000 1.070 119 G N 0.842 109.639 108.800 -0.004 0.000 2.668 119 G HA2 -0.178 3.771 3.960 -0.019 0.000 0.266 119 G HA3 -0.178 3.771 3.960 -0.019 0.000 0.266 119 G C -0.038 174.850 174.900 -0.020 0.000 1.328 119 G CA -0.203 44.893 45.100 -0.006 0.000 0.911 119 G HN 0.981 nan 8.290 nan 0.000 0.567 120 I N 0.313 120.859 120.570 -0.039 0.000 2.692 120 I HA 0.342 4.501 4.170 -0.019 0.000 0.284 120 I C 0.768 176.870 176.117 -0.025 0.000 1.159 120 I CA 0.508 61.776 61.300 -0.053 0.000 1.423 120 I CB 0.462 38.402 38.000 -0.101 0.000 1.380 120 I HN 0.380 nan 8.210 nan 0.000 0.580 121 I N 4.776 125.340 120.570 -0.011 0.000 2.533 121 I HA 0.528 4.686 4.170 -0.019 0.000 0.290 121 I C 0.141 176.268 176.117 0.016 0.000 1.056 121 I CA -0.394 60.914 61.300 0.012 0.000 1.057 121 I CB 2.005 40.020 38.000 0.027 0.000 1.240 121 I HN 0.617 nan 8.210 nan 0.000 0.423 122 G N 7.122 115.945 108.800 0.039 0.000 2.530 122 G HA2 0.798 4.747 3.960 -0.019 0.000 0.316 122 G HA3 0.798 4.747 3.960 -0.019 0.000 0.316 122 G C -0.882 174.037 174.900 0.032 0.000 1.298 122 G CA -0.499 44.632 45.100 0.052 0.000 0.948 122 G HN 0.638 nan 8.290 nan 0.000 0.486 123 I N -0.762 119.797 120.570 -0.018 0.000 2.934 123 I HA 0.753 4.911 4.170 -0.019 0.000 0.306 123 I C -1.278 174.881 176.117 0.069 0.000 1.110 123 I CA -1.573 59.736 61.300 0.014 0.000 1.019 123 I CB 2.660 40.626 38.000 -0.056 0.000 1.227 123 I HN 0.265 nan 8.210 nan 0.000 0.434 124 I N 2.866 123.514 120.570 0.130 0.000 2.498 124 I HA 0.241 4.399 4.170 -0.019 0.000 0.290 124 I C -0.293 175.889 176.117 0.108 0.000 1.032 124 I CA -0.529 60.801 61.300 0.049 0.000 1.073 124 I CB 1.920 39.794 38.000 -0.210 0.000 1.251 124 I HN 0.675 nan 8.210 nan 0.000 0.426 125 D N 7.867 128.118 120.400 -0.249 0.000 2.455 125 D HA 0.051 4.680 4.640 -0.019 0.000 0.241 125 D C -1.765 174.381 176.300 -0.257 0.000 1.138 125 D CA -1.129 52.513 54.000 -0.597 0.000 0.877 125 D CB 1.849 42.095 40.800 -0.923 0.000 1.187 125 D HN 0.209 nan 8.370 nan 0.000 0.451 126 P HA -0.152 nan 4.420 nan 0.000 0.216 126 P C 0.729 178.003 177.300 -0.043 0.000 1.150 126 P CA 1.346 64.342 63.100 -0.174 0.000 0.843 126 P CB 0.241 31.754 31.700 -0.313 0.000 0.787 127 E N -2.439 117.715 120.200 -0.076 0.000 2.216 127 E HA -0.026 4.313 4.350 -0.019 0.000 0.192 127 E C 0.348 176.950 176.600 0.003 0.000 0.988 127 E CA 0.621 57.008 56.400 -0.022 0.000 0.834 127 E CB -0.173 29.505 29.700 -0.037 0.000 0.772 127 E HN 0.073 nan 8.360 nan 0.000 0.479 128 C N 0.367 119.647 119.300 -0.034 0.000 4.627 128 C HA -0.106 4.342 4.460 -0.019 0.000 0.273 128 C C 1.592 176.571 174.990 -0.018 0.000 1.191 128 C CA -0.252 58.778 59.018 0.021 0.000 2.027 128 C CB -1.846 26.001 27.740 0.179 0.000 1.399 128 C HN 0.443 nan 8.230 nan 0.000 0.710 129 R N 0.098 120.547 120.500 -0.085 0.000 2.127 129 R HA -0.064 4.265 4.340 -0.019 0.000 0.238 129 R C 0.867 177.124 176.300 -0.072 0.000 1.134 129 R CA 2.068 58.129 56.100 -0.066 0.000 0.975 129 R CB -0.140 30.108 30.300 -0.086 0.000 0.865 129 R HN 0.853 nan 8.270 nan 0.000 0.447 130 M N -2.275 117.239 119.600 -0.143 0.000 3.767 130 M HA 0.487 4.955 4.480 -0.019 0.000 0.327 130 M C -1.343 174.824 176.300 -0.222 0.000 1.529 130 M CA -0.782 54.429 55.300 -0.148 0.000 0.871 130 M CB 1.841 34.391 32.600 -0.083 0.000 2.008 130 M HN -0.275 nan 8.290 nan 0.000 0.485 131 I N 0.286 120.732 120.570 -0.206 0.000 2.569 131 I HA 0.727 4.885 4.170 -0.019 0.000 0.290 131 I C -0.698 175.336 176.117 -0.140 0.000 1.088 131 I CA -0.845 60.295 61.300 -0.266 0.000 1.047 131 I CB 2.336 39.973 38.000 -0.605 0.000 1.237 131 I HN 0.895 nan 8.210 nan 0.000 0.421 132 G N 5.883 114.679 108.800 -0.008 0.000 2.461 132 G HA2 0.750 4.698 3.960 -0.019 0.000 0.323 132 G HA3 0.750 4.698 3.960 -0.019 0.000 0.323 132 G C -1.459 173.271 174.900 -0.284 0.000 1.229 132 G CA -0.294 44.702 45.100 -0.173 0.000 0.941 132 G HN 0.234 nan 8.290 nan 0.000 0.477 133 L N 1.209 122.092 121.223 -0.566 0.000 2.371 133 L HA 0.690 5.018 4.340 -0.019 0.000 0.262 133 L C -0.142 176.546 176.870 -0.302 0.000 1.006 133 L CA -1.062 53.592 54.840 -0.309 0.000 0.818 133 L CB 2.350 44.262 42.059 -0.244 0.000 1.354 133 L HN 0.462 nan 8.230 nan 0.000 0.415 134 R N 3.111 123.554 120.500 -0.094 0.000 2.607 134 R HA 0.333 4.662 4.340 -0.019 0.000 0.278 134 R C -0.579 175.670 176.300 -0.085 0.000 1.637 134 R CA -0.273 55.818 56.100 -0.015 0.000 1.325 134 R CB 0.555 30.913 30.300 0.097 0.000 1.211 134 R HN 0.525 nan 8.270 nan 0.000 0.565 135 L N 2.047 123.148 121.223 -0.204 0.000 2.416 135 L HA 0.264 4.592 4.340 -0.019 0.000 0.216 135 L C 0.104 176.595 176.870 -0.630 0.000 1.098 135 L CA 0.804 55.377 54.840 -0.445 0.000 0.840 135 L CB -0.586 41.058 42.059 -0.692 0.000 0.981 135 L HN 0.341 nan 8.230 nan 0.000 0.462 136 Y N -0.911 119.409 120.300 0.033 0.000 2.553 136 Y HA 0.357 4.896 4.550 -0.019 0.000 0.347 136 Y C 0.170 176.079 175.900 0.015 0.000 1.019 136 Y CA -1.537 56.571 58.100 0.014 0.000 1.032 136 Y CB 1.307 39.754 38.460 -0.020 0.000 1.284 136 Y HN -0.123 nan 8.280 nan 0.000 0.466 137 D N 0.392 120.901 120.400 0.182 0.000 2.382 137 D HA 0.241 4.870 4.640 -0.019 0.000 0.240 137 D C 1.194 177.553 176.300 0.098 0.000 1.146 137 D CA 1.794 55.857 54.000 0.105 0.000 0.897 137 D CB 1.090 41.935 40.800 0.075 0.000 1.197 137 D HN 0.891 nan 8.370 nan 0.000 0.432 138 G N 0.421 109.263 108.800 0.071 0.000 2.412 138 G HA2 -0.300 3.648 3.960 -0.019 0.000 0.252 138 G HA3 -0.300 3.648 3.960 -0.019 0.000 0.252 138 G C 0.359 175.292 174.900 0.055 0.000 1.038 138 G CA 0.492 45.623 45.100 0.051 0.000 0.628 138 G HN 0.439 nan 8.290 nan 0.000 0.531 139 L N -0.889 120.388 121.223 0.090 0.000 2.334 139 L HA 0.840 5.169 4.340 -0.019 0.000 0.270 139 L C -0.580 176.385 176.870 0.158 0.000 1.018 139 L CA -1.225 53.672 54.840 0.095 0.000 0.811 139 L CB 1.878 43.996 42.059 0.098 0.000 1.271 139 L HN 0.140 nan 8.230 nan 0.000 0.443 140 F N 2.379 122.282 119.950 -0.079 0.000 2.941 140 F HA 0.376 4.892 4.527 -0.018 0.000 0.359 140 F C -0.257 175.447 175.800 -0.160 0.000 1.231 140 F CA -0.892 57.048 58.000 -0.100 0.000 1.089 140 F CB 0.924 39.886 39.000 -0.063 0.000 1.407 140 F HN 0.228 nan 8.300 nan 0.000 0.538 141 K N 3.676 123.702 120.400 -0.624 0.000 2.258 141 K HA 0.736 5.045 4.320 -0.019 0.000 0.264 141 K C -1.554 174.510 176.600 -0.893 0.000 1.007 141 K CA -0.165 55.763 56.287 -0.598 0.000 0.941 141 K CB 1.103 33.386 32.500 -0.361 0.000 0.966 141 K HN 0.422 nan 8.250 nan 0.000 0.480 142 V N 5.207 124.636 119.914 -0.808 0.000 2.711 142 V HA 0.379 4.487 4.120 -0.019 0.000 0.304 142 V C -0.863 174.874 176.094 -0.595 0.000 1.097 142 V CA -0.705 61.134 62.300 -0.767 0.000 0.906 142 V CB 1.691 32.896 31.823 -1.031 0.000 1.015 142 V HN 0.678 nan 8.190 nan 0.000 0.427 143 I N 6.214 126.580 120.570 -0.341 0.000 2.437 143 I HA 0.379 4.537 4.170 -0.019 0.000 0.279 143 I C -2.612 173.430 176.117 -0.125 0.000 1.028 143 I CA -1.910 59.270 61.300 -0.199 0.000 1.142 143 I CB 2.404 40.295 38.000 -0.182 0.000 1.266 143 I HN 0.401 nan 8.210 nan 0.000 0.461 144 P HA 0.222 nan 4.420 nan 0.000 0.276 144 P C -0.652 176.647 177.300 -0.001 0.000 1.235 144 P CA -0.142 62.967 63.100 0.015 0.000 0.772 144 P CB 0.625 32.382 31.700 0.095 0.000 0.871 145 L N 3.855 125.072 121.223 -0.011 0.000 2.305 145 L HA 0.418 4.747 4.340 -0.019 0.000 0.281 145 L C 0.698 177.595 176.870 0.045 0.000 1.085 145 L CA 0.343 55.198 54.840 0.026 0.000 0.813 145 L CB 0.481 42.572 42.059 0.052 0.000 1.157 145 L HN 0.343 nan 8.230 nan 0.000 0.436 146 D N 0.780 121.212 120.400 0.054 0.000 2.825 146 D HA 0.224 4.852 4.640 -0.019 0.000 0.327 146 D C 0.394 176.725 176.300 0.051 0.000 1.277 146 D CA -0.707 53.320 54.000 0.046 0.000 0.950 146 D CB 1.502 42.324 40.800 0.036 0.000 1.438 146 D HN 0.226 nan 8.370 nan 0.000 0.526 147 R N 0.387 120.911 120.500 0.039 0.000 2.115 147 R HA -0.013 4.316 4.340 -0.019 0.000 0.226 147 R C 0.324 176.646 176.300 0.038 0.000 1.100 147 R CA 1.529 57.650 56.100 0.036 0.000 0.980 147 R CB -0.267 30.048 30.300 0.025 0.000 0.875 147 R HN 0.500 nan 8.270 nan 0.000 0.445 148 D N -0.596 119.824 120.400 0.034 0.000 2.306 148 D HA -0.031 4.598 4.640 -0.019 0.000 0.282 148 D C 0.606 176.928 176.300 0.037 0.000 1.195 148 D CA -0.431 53.587 54.000 0.031 0.000 0.955 148 D CB -0.561 40.252 40.800 0.022 0.000 0.921 148 D HN -0.137 nan 8.370 nan 0.000 0.269 149 N N -0.141 118.577 118.700 0.029 0.000 2.654 149 N HA -0.238 4.491 4.740 -0.019 0.000 0.248 149 N C 0.317 175.844 175.510 0.027 0.000 1.116 149 N CA 0.290 53.355 53.050 0.026 0.000 0.730 149 N CB -0.383 38.123 38.487 0.031 0.000 1.040 149 N HN 0.279 nan 8.380 nan 0.000 0.548 150 K N -0.085 120.332 120.400 0.029 0.000 2.360 150 K HA -0.133 4.176 4.320 -0.019 0.000 0.201 150 K C 0.462 177.065 176.600 0.005 0.000 1.046 150 K CA 1.179 57.491 56.287 0.042 0.000 0.940 150 K CB 0.041 32.569 32.500 0.047 0.000 0.748 150 K HN 0.526 nan 8.250 nan 0.000 0.465 151 E N 0.391 120.564 120.200 -0.044 0.000 2.569 151 E HA 0.145 4.484 4.350 -0.019 0.000 0.205 151 E C -0.551 175.999 176.600 -0.083 0.000 1.006 151 E CA -0.171 56.150 56.400 -0.132 0.000 0.985 151 E CB 0.135 29.752 29.700 -0.138 0.000 1.060 151 E HN 0.101 nan 8.360 nan 0.000 0.460 152 L N 1.604 122.812 121.223 -0.025 0.000 3.879 152 L HA -0.268 4.061 4.340 -0.019 0.000 0.481 152 L C -0.332 176.526 176.870 -0.019 0.000 1.232 152 L CA 0.569 55.407 54.840 -0.004 0.000 0.736 152 L CB -1.127 40.949 42.059 0.029 0.000 1.511 152 L HN 0.178 nan 8.230 nan 0.000 0.830 153 K N 1.286 121.679 120.400 -0.012 0.000 2.298 153 K HA 0.694 5.003 4.320 -0.019 0.000 0.280 153 K C 0.388 176.991 176.600 0.006 0.000 1.032 153 K CA 0.425 56.710 56.287 -0.004 0.000 0.958 153 K CB 1.546 34.052 32.500 0.009 0.000 0.978 153 K HN 0.363 nan 8.250 nan 0.000 0.472 154 A N 3.400 126.216 122.820 -0.006 0.000 2.422 154 A HA 0.658 4.966 4.320 -0.019 0.000 0.302 154 A C -0.681 176.904 177.584 0.001 0.000 1.041 154 A CA -0.956 51.044 52.037 -0.062 0.000 0.708 154 A CB 0.594 19.503 19.000 -0.151 0.000 1.257 154 A HN 0.606 nan 8.150 nan 0.000 0.414 155 F N 1.205 121.113 119.950 -0.070 0.000 2.378 155 F HA 0.654 5.169 4.527 -0.019 0.000 0.325 155 F C 0.152 175.894 175.800 -0.097 0.000 1.097 155 F CA -1.062 56.894 58.000 -0.075 0.000 1.079 155 F CB 0.915 39.874 39.000 -0.069 0.000 1.240 155 F HN 0.454 nan 8.300 nan 0.000 0.519 156 N N 1.091 119.798 118.700 0.012 0.000 2.459 156 N HA 0.628 5.356 4.740 -0.019 0.000 0.288 156 N C -1.185 174.342 175.510 0.028 0.000 1.186 156 N CA -0.479 52.526 53.050 -0.073 0.000 0.917 156 N CB 2.102 40.568 38.487 -0.035 0.000 1.219 156 N HN 0.593 nan 8.380 nan 0.000 0.525 157 I N 0.654 121.188 120.570 -0.060 0.000 2.865 157 I HA 0.309 4.468 4.170 -0.019 0.000 0.302 157 I C 0.075 176.086 176.117 -0.176 0.000 1.140 157 I CA -0.772 60.440 61.300 -0.146 0.000 1.021 157 I CB 2.788 40.568 38.000 -0.366 0.000 1.233 157 I HN 0.188 nan 8.210 nan 0.000 0.427 158 R N 4.157 124.542 120.500 -0.192 0.000 2.308 158 R HA 0.532 4.861 4.340 -0.019 0.000 0.305 158 R C -1.304 174.937 176.300 -0.099 0.000 1.053 158 R CA -0.533 55.501 56.100 -0.110 0.000 0.957 158 R CB 1.039 31.297 30.300 -0.069 0.000 1.022 158 R HN 0.531 nan 8.270 nan 0.000 0.461 159 L N 4.337 125.558 121.223 -0.003 0.000 2.298 159 L HA 0.168 4.496 4.340 -0.019 0.000 0.284 159 L C 1.216 178.116 176.870 0.048 0.000 1.013 159 L CA -0.451 54.432 54.840 0.071 0.000 0.824 159 L CB 1.636 43.728 42.059 0.056 0.000 1.221 159 L HN 0.624 nan 8.230 nan 0.000 0.418 160 E N 1.949 122.190 120.200 0.068 0.000 2.130 160 E HA -0.192 4.147 4.350 -0.019 0.000 0.196 160 E C -0.045 176.556 176.600 0.002 0.000 0.998 160 E CA 1.273 57.694 56.400 0.034 0.000 0.806 160 E CB 0.050 29.776 29.700 0.044 0.000 0.738 160 E HN 0.564 nan 8.360 nan 0.000 0.459 161 E N 0.385 120.572 120.200 -0.023 0.000 2.052 161 E HA 0.146 4.485 4.350 -0.019 0.000 0.283 161 E C 0.793 177.415 176.600 0.037 0.000 1.071 161 E CA -0.043 56.310 56.400 -0.078 0.000 0.851 161 E CB 0.791 30.315 29.700 -0.294 0.000 1.066 161 E HN 0.042 nan 8.360 nan 0.000 0.396 162 L N 1.996 123.273 121.223 0.090 0.000 2.418 162 L HA 0.016 4.345 4.340 -0.019 0.000 0.218 162 L C 0.856 177.830 176.870 0.175 0.000 1.125 162 L CA 0.551 55.461 54.840 0.117 0.000 0.835 162 L CB 0.202 42.328 42.059 0.113 0.000 0.953 162 L HN 0.615 nan 8.230 nan 0.000 0.454 163 H N 0.499 119.658 119.070 0.148 0.000 2.336 163 H HA 0.286 4.830 4.556 -0.019 0.000 0.230 163 H C -0.883 174.581 175.328 0.228 0.000 1.426 163 H CA -0.298 55.850 56.048 0.166 0.000 1.359 163 H CB 0.344 30.201 29.762 0.157 0.000 1.555 163 H HN -0.212 nan 8.280 nan 0.000 0.512 164 V N 3.979 124.037 119.914 0.241 0.000 2.775 164 V HA -0.015 4.094 4.120 -0.019 0.000 0.299 164 V C 1.333 177.542 176.094 0.192 0.000 1.062 164 V CA 0.004 62.472 62.300 0.280 0.000 1.063 164 V CB 1.277 33.184 31.823 0.139 0.000 0.994 164 V HN 0.543 nan 8.190 nan 0.000 0.483 165 I N 1.285 121.992 120.570 0.228 0.000 3.136 165 I HA 0.326 4.485 4.170 -0.019 0.000 0.262 165 I C 0.450 176.636 176.117 0.115 0.000 1.132 165 I CA 0.901 62.296 61.300 0.158 0.000 1.450 165 I CB -0.066 38.026 38.000 0.154 0.000 1.315 165 I HN 0.669 nan 8.210 nan 0.000 0.460 166 D N -0.471 120.007 120.400 0.130 0.000 2.654 166 D HA 0.566 5.194 4.640 -0.019 0.000 0.231 166 D C -1.369 175.001 176.300 0.116 0.000 1.239 166 D CA -0.118 53.944 54.000 0.103 0.000 0.790 166 D CB 2.658 43.513 40.800 0.092 0.000 1.480 166 D HN -0.190 nan 8.370 nan 0.000 0.442 167 V N 1.746 121.702 119.914 0.071 0.000 3.012 167 V HA 0.701 4.809 4.120 -0.019 0.000 0.307 167 V C -0.614 175.468 176.094 -0.020 0.000 1.166 167 V CA -0.906 61.409 62.300 0.024 0.000 0.974 167 V CB 2.252 34.039 31.823 -0.059 0.000 1.040 167 V HN 0.505 nan 8.190 nan 0.000 0.428 168 K N 1.646 122.009 120.400 -0.061 0.000 2.555 168 K HA 0.590 4.898 4.320 -0.019 0.000 0.279 168 K C -1.454 175.060 176.600 -0.143 0.000 0.986 168 K CA -0.588 55.654 56.287 -0.075 0.000 0.880 168 K CB 2.611 35.147 32.500 0.060 0.000 1.474 168 K HN 0.503 nan 8.250 nan 0.000 0.433 169 F N 1.339 121.295 119.950 0.010 0.000 2.429 169 F HA 0.273 4.788 4.527 -0.019 0.000 0.348 169 F C 0.872 176.647 175.800 -0.041 0.000 1.109 169 F CA -0.762 57.219 58.000 -0.030 0.000 1.232 169 F CB 0.580 39.540 39.000 -0.066 0.000 1.157 169 F HN 0.056 nan 8.300 nan 0.000 0.564 170 L N 3.752 125.098 121.223 0.205 0.000 2.326 170 L HA 0.259 4.587 4.340 -0.019 0.000 0.278 170 L C -0.438 176.514 176.870 0.137 0.000 1.092 170 L CA -0.695 54.255 54.840 0.184 0.000 0.810 170 L CB 0.387 42.551 42.059 0.176 0.000 1.153 170 L HN 0.501 nan 8.230 nan 0.000 0.439 171 Y N 0.730 121.142 120.300 0.186 0.000 2.357 171 Y HA 0.283 4.822 4.550 -0.019 0.000 0.340 171 Y C 1.320 177.317 175.900 0.161 0.000 1.260 171 Y CA 0.802 58.999 58.100 0.163 0.000 1.425 171 Y CB 0.819 39.382 38.460 0.172 0.000 1.326 171 Y HN 0.770 nan 8.280 nan 0.000 0.580 172 G N 0.757 109.751 108.800 0.324 0.000 2.351 172 G HA2 -0.235 3.713 3.960 -0.019 0.000 0.297 172 G HA3 -0.235 3.713 3.960 -0.019 0.000 0.297 172 G C -0.860 174.144 174.900 0.173 0.000 1.054 172 G CA -0.235 45.000 45.100 0.226 0.000 1.123 172 G HN 0.684 nan 8.290 nan 0.000 0.512 173 C N 0.687 120.063 119.300 0.126 0.000 2.563 173 C HA 0.601 5.049 4.460 -0.019 0.000 0.314 173 C C 1.422 176.448 174.990 0.061 0.000 1.199 173 C CA -0.891 58.182 59.018 0.092 0.000 1.564 173 C CB 1.898 29.680 27.740 0.071 0.000 2.173 173 C HN 0.689 nan 8.230 nan 0.000 0.485 174 Q N 1.808 121.642 119.800 0.058 0.000 1.809 174 Q HA 0.027 4.356 4.340 -0.019 0.000 0.269 174 Q C 0.999 177.017 176.000 0.029 0.000 0.984 174 Q CA 1.138 56.967 55.803 0.044 0.000 0.885 174 Q CB -0.983 27.782 28.738 0.045 0.000 0.933 174 Q HN 0.875 nan 8.270 nan 0.000 0.422 175 A N 2.312 125.150 122.820 0.030 0.000 2.354 175 A HA 0.382 4.690 4.320 -0.019 0.000 0.269 175 A C -2.138 175.457 177.584 0.019 0.000 1.109 175 A CA -1.325 50.729 52.037 0.027 0.000 0.800 175 A CB -0.459 18.567 19.000 0.043 0.000 1.045 175 A HN 0.085 nan 8.150 nan 0.000 0.489 176 P HA -0.046 nan 4.420 nan 0.000 0.261 176 P C -0.476 176.890 177.300 0.110 0.000 1.140 176 P CA 1.269 64.351 63.100 -0.031 0.000 0.757 176 P CB 0.011 31.699 31.700 -0.020 0.000 0.735 177 T N 3.844 118.515 114.554 0.196 0.000 3.011 177 T HA 0.542 4.881 4.350 -0.019 0.000 0.303 177 T C 0.416 175.269 174.700 0.255 0.000 0.997 177 T CA -0.674 61.529 62.100 0.171 0.000 1.007 177 T CB 0.526 69.391 68.868 -0.005 0.000 1.017 177 T HN 0.285 nan 8.240 nan 0.000 0.443 178 I N -0.572 120.048 120.570 0.084 0.000 3.110 178 I HA 0.890 5.049 4.170 -0.019 0.000 0.314 178 I C -0.033 176.019 176.117 -0.108 0.000 1.020 178 I CA -0.744 60.479 61.300 -0.128 0.000 1.169 178 I CB 1.173 38.954 38.000 -0.365 0.000 1.437 178 I HN 0.782 nan 8.210 nan 0.000 0.595 179 C N 4.589 123.856 119.300 -0.054 0.000 2.989 179 C HA 0.739 5.187 4.460 -0.019 0.000 0.397 179 C C -1.129 173.909 174.990 0.080 0.000 1.022 179 C CA -0.690 58.300 59.018 -0.045 0.000 1.232 179 C CB 0.342 28.038 27.740 -0.073 0.000 1.638 179 C HN 0.876 nan 8.230 nan 0.000 0.534 180 F N 3.874 123.734 119.950 -0.151 0.000 2.619 180 F HA 0.815 5.330 4.527 -0.019 0.000 0.308 180 F C -1.315 174.477 175.800 -0.015 0.000 1.097 180 F CA -1.072 56.885 58.000 -0.073 0.000 0.953 180 F CB 1.130 40.089 39.000 -0.067 0.000 1.287 180 F HN 0.328 nan 8.300 nan 0.000 0.446 181 V N 3.703 123.660 119.914 0.072 0.000 2.407 181 V HA 0.382 4.490 4.120 -0.019 0.000 0.278 181 V C -0.692 175.525 176.094 0.206 0.000 1.037 181 V CA -0.613 61.670 62.300 -0.028 0.000 0.900 181 V CB 0.617 32.414 31.823 -0.044 0.000 0.983 181 V HN 0.811 nan 8.190 nan 0.000 0.459 182 Y N 2.026 122.405 120.300 0.131 0.000 2.598 182 Y HA 0.760 5.299 4.550 -0.019 0.000 0.340 182 Y C -0.319 175.696 175.900 0.192 0.000 1.038 182 Y CA -1.303 56.946 58.100 0.248 0.000 1.100 182 Y CB 1.439 40.107 38.460 0.347 0.000 1.281 182 Y HN 0.538 nan 8.280 nan 0.000 0.488 183 Q N 2.094 122.077 119.800 0.305 0.000 2.282 183 Q HA 0.431 4.760 4.340 -0.019 0.000 0.260 183 Q C -1.792 174.338 176.000 0.216 0.000 0.964 183 Q CA -0.751 55.111 55.803 0.099 0.000 0.880 183 Q CB 1.637 30.295 28.738 -0.133 0.000 1.286 183 Q HN 0.958 nan 8.270 nan 0.000 0.445 184 D N 2.928 123.447 120.400 0.198 0.000 2.614 184 D HA 0.443 5.072 4.640 -0.019 0.000 0.264 184 D C -1.926 174.433 176.300 0.097 0.000 1.092 184 D CA -1.310 52.792 54.000 0.170 0.000 1.071 184 D CB 0.566 41.498 40.800 0.221 0.000 1.443 184 D HN 0.282 nan 8.370 nan 0.000 0.528 185 P HA -0.342 nan 4.420 nan 0.000 0.224 185 P C 0.987 178.319 177.300 0.053 0.000 1.153 185 P CA 1.883 65.014 63.100 0.052 0.000 0.947 185 P CB 0.107 31.831 31.700 0.041 0.000 0.790 186 Q N -0.913 118.945 119.800 0.095 0.000 2.472 186 Q HA 0.268 4.596 4.340 -0.019 0.000 0.208 186 Q C 1.246 177.264 176.000 0.030 0.000 0.958 186 Q CA 0.859 56.710 55.803 0.080 0.000 0.932 186 Q CB 0.163 28.993 28.738 0.152 0.000 1.007 186 Q HN 0.513 nan 8.270 nan 0.000 0.508 187 G N -0.695 108.115 108.800 0.017 0.000 2.366 187 G HA2 0.068 4.016 3.960 -0.019 0.000 0.190 187 G HA3 0.068 4.016 3.960 -0.019 0.000 0.190 187 G C -1.461 173.273 174.900 -0.278 0.000 1.299 187 G CA -1.105 43.896 45.100 -0.166 0.000 1.056 187 G HN 0.033 nan 8.290 nan 0.000 0.468 188 R N -0.395 119.783 120.500 -0.535 0.000 2.803 188 R HA 0.774 5.103 4.340 -0.019 0.000 0.276 188 R C -1.112 174.652 176.300 -0.893 0.000 0.978 188 R CA -0.726 55.059 56.100 -0.526 0.000 0.939 188 R CB 1.932 32.064 30.300 -0.280 0.000 1.179 188 R HN 0.731 nan 8.270 nan 0.000 0.472 189 H N -1.136 117.592 119.070 -0.571 0.000 3.008 189 H HA 0.483 5.027 4.556 -0.019 0.000 0.354 189 H C -1.558 173.394 175.328 -0.627 0.000 1.252 189 H CA -0.769 54.927 56.048 -0.586 0.000 1.117 189 H CB 1.884 31.219 29.762 -0.712 0.000 1.857 189 H HN 0.219 nan 8.280 nan 0.000 0.547 190 V N 0.897 120.617 119.914 -0.324 0.000 2.680 190 V HA 0.674 4.783 4.120 -0.019 0.000 0.309 190 V C -1.032 174.827 176.094 -0.392 0.000 1.052 190 V CA -0.373 61.702 62.300 -0.375 0.000 0.908 190 V CB 1.616 33.215 31.823 -0.373 0.000 1.001 190 V HN 0.778 nan 8.190 nan 0.000 0.431 191 K N 2.453 122.451 120.400 -0.671 0.000 2.556 191 K HA 0.779 5.088 4.320 -0.019 0.000 0.274 191 K C -1.117 174.989 176.600 -0.823 0.000 0.966 191 K CA -0.406 55.411 56.287 -0.783 0.000 0.865 191 K CB 2.506 34.428 32.500 -0.963 0.000 1.444 191 K HN 0.887 nan 8.250 nan 0.000 0.433 192 T N -1.457 112.655 114.554 -0.737 0.000 2.901 192 T HA 0.639 4.978 4.350 -0.019 0.000 0.293 192 T C -1.194 173.101 174.700 -0.675 0.000 1.084 192 T CA -0.762 60.956 62.100 -0.636 0.000 1.008 192 T CB 0.975 69.383 68.868 -0.766 0.000 1.170 192 T HN 0.481 nan 8.240 nan 0.000 0.509 193 Y N -0.688 119.426 120.300 -0.311 0.000 2.436 193 Y HA 0.346 4.884 4.550 -0.019 0.000 0.327 193 Y C 0.071 175.847 175.900 -0.207 0.000 1.138 193 Y CA -1.251 56.643 58.100 -0.343 0.000 1.042 193 Y CB 1.916 39.896 38.460 -0.801 0.000 1.302 193 Y HN 0.688 nan 8.280 nan 0.000 0.439 194 E N 1.598 121.845 120.200 0.079 0.000 2.392 194 E HA 0.397 4.736 4.350 -0.019 0.000 0.256 194 E C -1.091 175.626 176.600 0.195 0.000 1.145 194 E CA -0.464 55.997 56.400 0.101 0.000 0.929 194 E CB 1.462 31.209 29.700 0.079 0.000 0.998 194 E HN 0.199 nan 8.360 nan 0.000 0.442 195 V N 1.917 121.965 119.914 0.224 0.000 2.376 195 V HA 0.128 4.237 4.120 -0.019 0.000 0.287 195 V C -0.351 175.865 176.094 0.202 0.000 1.015 195 V CA -0.472 62.010 62.300 0.303 0.000 0.834 195 V CB 1.570 33.649 31.823 0.426 0.000 1.001 195 V HN 0.501 nan 8.190 nan 0.000 0.428 196 S N 4.729 120.531 115.700 0.170 0.000 2.422 196 S HA 0.478 4.937 4.470 -0.019 0.000 0.298 196 S C 0.986 175.640 174.600 0.090 0.000 1.118 196 S CA -0.701 57.560 58.200 0.101 0.000 1.083 196 S CB 0.676 63.914 63.200 0.063 0.000 0.971 196 S HN 0.652 nan 8.310 nan 0.000 0.478 197 L N 3.466 124.741 121.223 0.086 0.000 2.375 197 L HA 0.351 4.680 4.340 -0.019 0.000 0.215 197 L C 2.327 179.129 176.870 -0.113 0.000 1.108 197 L CA 0.078 54.949 54.840 0.051 0.000 0.830 197 L CB -0.399 41.770 42.059 0.183 0.000 0.959 197 L HN 0.473 nan 8.230 nan 0.000 0.457 198 R N 1.353 121.817 120.500 -0.059 0.000 2.096 198 R HA -0.160 4.168 4.340 -0.019 0.000 0.240 198 R C 2.027 178.247 176.300 -0.134 0.000 1.139 198 R CA 2.147 58.199 56.100 -0.079 0.000 0.952 198 R CB -0.054 30.221 30.300 -0.041 0.000 0.854 198 R HN 0.581 nan 8.270 nan 0.000 0.436 199 E N 0.216 120.342 120.200 -0.124 0.000 2.501 199 E HA 0.005 4.344 4.350 -0.019 0.000 0.201 199 E C -0.463 176.010 176.600 -0.213 0.000 1.016 199 E CA -0.026 56.285 56.400 -0.147 0.000 0.920 199 E CB 0.479 30.128 29.700 -0.085 0.000 1.023 199 E HN -0.019 nan 8.360 nan 0.000 0.474 200 K N 1.802 122.016 120.400 -0.311 0.000 3.311 200 K HA -0.251 4.058 4.320 -0.019 0.000 0.270 200 K C 0.105 176.630 176.600 -0.126 0.000 0.927 200 K CA 1.266 57.310 56.287 -0.404 0.000 0.706 200 K CB -1.250 30.671 32.500 -0.965 0.000 1.418 200 K HN 0.682 nan 8.250 nan 0.000 0.459 201 E N -0.892 119.278 120.200 -0.050 0.000 3.868 201 E HA 0.460 4.799 4.350 -0.019 0.000 0.331 201 E C 0.874 177.434 176.600 -0.068 0.000 0.699 201 E CA -0.726 55.632 56.400 -0.069 0.000 1.672 201 E CB 0.197 29.882 29.700 -0.026 0.000 2.271 201 E HN 0.142 nan 8.360 nan 0.000 0.482 202 F N -0.808 119.094 119.950 -0.081 0.000 2.370 202 F HA 0.123 4.638 4.527 -0.019 0.000 0.356 202 F C -0.095 175.672 175.800 -0.055 0.000 0.820 202 F CA -0.128 57.777 58.000 -0.158 0.000 1.018 202 F CB 0.803 39.479 39.000 -0.541 0.000 1.050 202 F HN 0.283 nan 8.300 nan 0.000 0.646 203 N N 1.092 119.890 118.700 0.164 0.000 3.558 203 N HA -0.248 4.481 4.740 -0.019 0.000 0.226 203 N C -0.809 174.794 175.510 0.155 0.000 0.886 203 N CA 1.162 54.285 53.050 0.123 0.000 0.948 203 N CB -0.354 38.196 38.487 0.106 0.000 0.896 203 N HN 0.143 nan 8.380 nan 0.000 0.604 204 K N -0.393 120.076 120.400 0.115 0.000 2.324 204 K HA 0.600 4.909 4.320 -0.019 0.000 0.253 204 K C -0.265 176.351 176.600 0.028 0.000 0.932 204 K CA -0.286 56.063 56.287 0.103 0.000 0.799 204 K CB 1.540 34.081 32.500 0.068 0.000 1.154 204 K HN 0.549 nan 8.250 nan 0.000 0.425 205 G N 2.033 110.802 108.800 -0.052 0.000 2.572 205 G HA2 0.219 4.167 3.960 -0.019 0.000 0.261 205 G HA3 0.219 4.167 3.960 -0.019 0.000 0.261 205 G C -1.851 172.949 174.900 -0.167 0.000 1.197 205 G CA -1.156 43.830 45.100 -0.190 0.000 0.870 205 G HN 0.440 nan 8.290 nan 0.000 0.548 206 P HA 0.125 nan 4.420 nan 0.000 0.245 206 P C -0.757 176.633 177.300 0.150 0.000 1.212 206 P CA 0.313 63.401 63.100 -0.021 0.000 0.774 206 P CB 0.027 31.757 31.700 0.050 0.000 0.999 207 W N -1.394 119.884 121.300 -0.036 0.000 3.097 207 W HA 0.616 5.264 4.660 -0.019 0.000 0.335 207 W C -0.462 176.016 176.519 -0.068 0.000 1.114 207 W CA -1.736 55.585 57.345 -0.040 0.000 1.231 207 W CB 0.450 29.895 29.460 -0.024 0.000 1.388 207 W HN -0.443 nan 8.180 nan 0.000 0.485 208 K N 2.063 122.586 120.400 0.205 0.000 2.443 208 K HA -0.125 4.184 4.320 -0.019 0.000 0.268 208 K C 0.380 177.031 176.600 0.085 0.000 0.971 208 K CA 0.610 56.952 56.287 0.092 0.000 0.902 208 K CB 0.383 32.926 32.500 0.072 0.000 0.950 208 K HN 0.694 nan 8.250 nan 0.000 0.525 209 Q N 1.935 121.741 119.800 0.009 0.000 2.303 209 Q HA 0.121 4.450 4.340 -0.019 0.000 0.257 209 Q C -0.859 175.144 176.000 0.004 0.000 0.941 209 Q CA -0.542 55.245 55.803 -0.026 0.000 0.931 209 Q CB 1.166 29.875 28.738 -0.049 0.000 1.215 209 Q HN 0.305 nan 8.270 nan 0.000 0.437 210 E N 2.991 123.189 120.200 -0.003 0.000 2.243 210 E HA 0.368 4.706 4.350 -0.019 0.000 0.260 210 E C -0.437 176.140 176.600 -0.037 0.000 0.985 210 E CA -0.983 55.413 56.400 -0.007 0.000 0.858 210 E CB 0.868 30.588 29.700 0.032 0.000 1.210 210 E HN 0.647 nan 8.360 nan 0.000 0.411 211 N N 0.218 118.884 118.700 -0.058 0.000 2.424 211 N HA 0.318 5.047 4.740 -0.019 0.000 0.257 211 N C -0.006 175.427 175.510 -0.128 0.000 1.250 211 N CA -0.072 52.888 53.050 -0.149 0.000 0.946 211 N CB 1.135 39.527 38.487 -0.158 0.000 1.175 211 N HN 0.305 nan 8.380 nan 0.000 0.477 212 V N -2.834 116.964 119.914 -0.193 0.000 3.206 212 V HA 0.447 4.556 4.120 -0.019 0.000 0.305 212 V C -0.400 175.615 176.094 -0.132 0.000 1.257 212 V CA -1.223 61.018 62.300 -0.098 0.000 1.057 212 V CB 1.557 33.312 31.823 -0.113 0.000 1.075 212 V HN 0.749 nan 8.190 nan 0.000 0.443 213 E N 1.786 121.944 120.200 -0.070 0.000 2.415 213 E HA 0.472 4.810 4.350 -0.019 0.000 0.262 213 E C 1.362 177.904 176.600 -0.097 0.000 1.038 213 E CA 0.087 56.440 56.400 -0.077 0.000 0.921 213 E CB 1.129 30.805 29.700 -0.041 0.000 0.950 213 E HN 1.373 nan 8.360 nan 0.000 0.438 214 A N 3.201 125.965 122.820 -0.093 0.000 2.030 214 A HA -0.311 3.998 4.320 -0.019 0.000 0.226 214 A C 1.492 179.044 177.584 -0.052 0.000 1.282 214 A CA 2.220 54.212 52.037 -0.075 0.000 0.691 214 A CB -0.569 18.398 19.000 -0.054 0.000 0.829 214 A HN 0.707 nan 8.150 nan 0.000 0.497 215 E N -1.099 119.078 120.200 -0.040 0.000 2.624 215 E HA 0.429 4.768 4.350 -0.019 0.000 0.210 215 E C 0.254 176.844 176.600 -0.017 0.000 0.997 215 E CA 0.410 56.797 56.400 -0.021 0.000 0.999 215 E CB -0.183 29.509 29.700 -0.013 0.000 1.040 215 E HN 0.595 nan 8.360 nan 0.000 0.469 216 A N 1.679 124.480 122.820 -0.032 0.000 2.573 216 A HA 0.102 4.411 4.320 -0.019 0.000 0.250 216 A C 1.279 178.862 177.584 -0.002 0.000 1.049 216 A CA 1.023 53.044 52.037 -0.027 0.000 0.767 216 A CB 0.052 19.019 19.000 -0.055 0.000 0.965 216 A HN 0.199 nan 8.150 nan 0.000 0.514 217 S N 1.765 117.473 115.700 0.013 0.000 2.684 217 S HA 0.352 4.811 4.470 -0.019 0.000 0.268 217 S C 0.260 174.893 174.600 0.055 0.000 1.075 217 S CA -0.240 57.983 58.200 0.039 0.000 1.184 217 S CB 0.092 63.318 63.200 0.043 0.000 1.129 217 S HN 0.619 nan 8.310 nan 0.000 0.630 218 M N 2.175 121.801 119.600 0.042 0.000 2.393 218 M HA 0.541 5.010 4.480 -0.019 0.000 0.299 218 M C -1.679 174.628 176.300 0.012 0.000 1.103 218 M CA -0.564 54.776 55.300 0.066 0.000 0.910 218 M CB 2.390 35.049 32.600 0.099 0.000 1.659 218 M HN -0.082 nan 8.290 nan 0.000 0.445 219 V N 4.509 124.443 119.914 0.033 0.000 2.357 219 V HA 0.519 4.627 4.120 -0.019 0.000 0.284 219 V C -0.236 175.841 176.094 -0.029 0.000 1.018 219 V CA -0.466 61.834 62.300 -0.001 0.000 0.841 219 V CB 1.652 33.495 31.823 0.034 0.000 0.991 219 V HN 0.711 nan 8.190 nan 0.000 0.437 220 I N 3.884 124.378 120.570 -0.126 0.000 2.377 220 I HA 0.678 4.836 4.170 -0.019 0.000 0.293 220 I C 0.441 176.558 176.117 -0.001 0.000 0.987 220 I CA -0.565 60.644 61.300 -0.152 0.000 1.185 220 I CB 1.871 39.597 38.000 -0.456 0.000 1.341 220 I HN 0.644 nan 8.210 nan 0.000 0.455 221 A N 6.901 129.807 122.820 0.144 0.000 2.253 221 A HA 0.602 4.910 4.320 -0.019 0.000 0.316 221 A C -0.375 177.426 177.584 0.362 0.000 1.327 221 A CA -0.493 51.710 52.037 0.276 0.000 0.917 221 A CB 0.364 19.567 19.000 0.338 0.000 1.162 221 A HN 0.473 nan 8.150 nan 0.000 0.535 222 V N 5.358 125.434 119.914 0.269 0.000 2.488 222 V HA 0.259 4.368 4.120 -0.019 0.000 0.277 222 V C -1.770 174.336 176.094 0.020 0.000 1.046 222 V CA -1.364 61.035 62.300 0.166 0.000 0.986 222 V CB 0.713 32.660 31.823 0.207 0.000 0.989 222 V HN 0.811 nan 8.190 nan 0.000 0.475 223 P HA 0.072 nan 4.420 nan 0.000 0.272 223 P C 0.960 178.114 177.300 -0.244 0.000 1.240 223 P CA -0.145 62.381 63.100 -0.955 0.000 0.791 223 P CB 1.121 32.374 31.700 -0.745 0.000 0.978 224 E N 1.499 121.603 120.200 -0.161 0.000 2.181 224 E HA -0.238 4.101 4.350 -0.019 0.000 0.225 224 E C -0.664 176.037 176.600 0.168 0.000 1.073 224 E CA 2.549 59.022 56.400 0.121 0.000 0.916 224 E CB -1.456 28.330 29.700 0.144 0.000 0.793 224 E HN 0.463 nan 8.360 nan 0.000 0.472 225 P HA -0.162 nan 4.420 nan 0.000 0.218 225 P C 0.955 178.302 177.300 0.078 0.000 1.146 225 P CA 1.481 64.662 63.100 0.136 0.000 0.813 225 P CB -0.142 31.659 31.700 0.167 0.000 0.778 226 F N -0.327 119.641 119.950 0.029 0.000 2.315 226 F HA 0.372 4.888 4.527 -0.019 0.000 0.284 226 F C 1.852 177.729 175.800 0.129 0.000 1.049 226 F CA 0.938 58.975 58.000 0.063 0.000 1.323 226 F CB -1.183 37.855 39.000 0.064 0.000 1.113 226 F HN 0.023 nan 8.300 nan 0.000 0.544 227 G N -0.074 108.945 108.800 0.364 0.000 2.888 227 G HA2 0.338 4.287 3.960 -0.019 0.000 0.441 227 G HA3 0.338 4.287 3.960 -0.019 0.000 0.441 227 G C 0.279 175.381 174.900 0.337 0.000 1.461 227 G CA -0.270 45.024 45.100 0.323 0.000 0.897 227 G HN 1.416 nan 8.290 nan 0.000 0.547 228 G N -1.434 107.535 108.800 0.282 0.000 2.627 228 G HA2 0.531 4.480 3.960 -0.019 0.000 0.214 228 G HA3 0.531 4.480 3.960 -0.019 0.000 0.214 228 G C 0.047 174.991 174.900 0.074 0.000 1.331 228 G CA 0.912 46.063 45.100 0.085 0.000 0.891 228 G HN 2.980 nan 8.290 nan 0.000 0.539 229 A N -0.928 121.772 122.820 -0.200 0.000 2.455 229 A HA 0.804 5.113 4.320 -0.019 0.000 0.300 229 A C -0.567 176.942 177.584 -0.124 0.000 1.040 229 A CA -0.378 51.619 52.037 -0.067 0.000 0.697 229 A CB 1.295 20.334 19.000 0.064 0.000 1.265 229 A HN 1.319 nan 8.150 nan 0.000 0.407 230 I N 2.383 122.929 120.570 -0.040 0.000 2.354 230 I HA 0.393 4.552 4.170 -0.019 0.000 0.292 230 I C -1.092 174.998 176.117 -0.045 0.000 0.989 230 I CA -0.577 60.709 61.300 -0.023 0.000 1.188 230 I CB 1.631 39.561 38.000 -0.117 0.000 1.342 230 I HN 0.436 nan 8.210 nan 0.000 0.457 231 I N 7.596 128.175 120.570 0.015 0.000 2.404 231 I HA 0.426 4.584 4.170 -0.019 0.000 0.293 231 I C -0.211 175.892 176.117 -0.023 0.000 0.992 231 I CA -0.413 60.884 61.300 -0.005 0.000 1.149 231 I CB 1.428 39.444 38.000 0.028 0.000 1.315 231 I HN 0.309 nan 8.210 nan 0.000 0.446 232 I N 4.963 125.509 120.570 -0.040 0.000 2.404 232 I HA 0.701 4.860 4.170 -0.019 0.000 0.293 232 I C 0.646 176.747 176.117 -0.025 0.000 0.992 232 I CA -0.114 61.160 61.300 -0.043 0.000 1.149 232 I CB 1.710 39.680 38.000 -0.051 0.000 1.315 232 I HN 0.713 nan 8.210 nan 0.000 0.446 233 G N 4.069 112.850 108.800 -0.031 0.000 3.107 233 G HA2 0.403 4.352 3.960 -0.019 0.000 0.232 233 G HA3 0.403 4.352 3.960 -0.019 0.000 0.232 233 G C -0.958 173.923 174.900 -0.032 0.000 1.339 233 G CA -0.388 44.696 45.100 -0.026 0.000 1.033 233 G HN 0.380 nan 8.290 nan 0.000 0.567 234 Q N 0.165 119.948 119.800 -0.028 0.000 2.340 234 Q HA 0.215 4.544 4.340 -0.019 0.000 0.249 234 Q C 0.695 176.669 176.000 -0.043 0.000 0.957 234 Q CA 0.493 56.277 55.803 -0.032 0.000 0.882 234 Q CB 1.355 30.081 28.738 -0.021 0.000 1.235 234 Q HN 0.850 nan 8.270 nan 0.000 0.439 235 E N -0.950 119.218 120.200 -0.054 0.000 3.343 235 E HA -0.273 4.066 4.350 -0.019 0.000 0.281 235 E C -0.446 176.112 176.600 -0.069 0.000 0.914 235 E CA 1.720 58.084 56.400 -0.061 0.000 0.884 235 E CB -1.324 28.352 29.700 -0.040 0.000 1.445 235 E HN 0.333 nan 8.360 nan 0.000 0.468 236 S N -0.806 114.853 115.700 -0.069 0.000 2.556 236 S HA 0.778 5.237 4.470 -0.019 0.000 0.271 236 S C -0.898 173.659 174.600 -0.072 0.000 1.135 236 S CA -0.729 57.430 58.200 -0.067 0.000 0.858 236 S CB 1.308 64.484 63.200 -0.041 0.000 1.114 236 S HN 0.335 nan 8.310 nan 0.000 0.468 237 I N 2.157 122.679 120.570 -0.080 0.000 2.934 237 I HA 0.628 4.787 4.170 -0.019 0.000 0.306 237 I C -0.558 175.511 176.117 -0.079 0.000 1.110 237 I CA -0.695 60.557 61.300 -0.080 0.000 1.019 237 I CB 2.748 40.684 38.000 -0.107 0.000 1.227 237 I HN 0.961 nan 8.210 nan 0.000 0.434 238 T N 0.335 114.858 114.554 -0.052 0.000 2.821 238 T HA 0.527 4.866 4.350 -0.019 0.000 0.306 238 T C -1.506 173.193 174.700 -0.002 0.000 1.313 238 T CA -0.839 61.210 62.100 -0.085 0.000 1.012 238 T CB 2.144 71.019 68.868 0.012 0.000 1.298 238 T HN 0.510 nan 8.240 nan 0.000 0.502 239 Y N 0.715 120.837 120.300 -0.297 0.000 2.457 239 Y HA 0.622 5.161 4.550 -0.019 0.000 0.343 239 Y C -0.976 174.700 175.900 -0.374 0.000 0.994 239 Y CA -0.692 57.286 58.100 -0.204 0.000 1.031 239 Y CB 1.733 40.071 38.460 -0.203 0.000 1.246 239 Y HN 0.872 nan 8.280 nan 0.000 0.449 240 H N 4.642 123.280 119.070 -0.721 0.000 2.717 240 H HA 0.451 4.996 4.556 -0.019 0.000 0.366 240 H C -1.228 173.469 175.328 -1.052 0.000 1.132 240 H CA -0.989 54.688 56.048 -0.618 0.000 1.180 240 H CB 2.426 31.999 29.762 -0.315 0.000 1.678 240 H HN 0.686 nan 8.280 nan 0.000 0.537 241 N N 0.006 118.187 118.700 -0.866 0.000 3.265 241 N HA 0.111 4.840 4.740 -0.019 0.000 0.235 241 N C 0.730 175.702 175.510 -0.897 0.000 1.343 241 N CA 0.492 52.885 53.050 -1.096 0.000 0.904 241 N CB 1.358 39.562 38.487 -0.471 0.000 1.492 241 N HN 0.847 nan 8.380 nan 0.000 0.504 242 G N 1.741 110.041 108.800 -0.834 0.000 2.699 242 G HA2 -0.346 3.603 3.960 -0.019 0.000 0.408 242 G HA3 -0.346 3.603 3.960 -0.019 0.000 0.408 242 G C 0.174 174.933 174.900 -0.235 0.000 1.112 242 G CA 1.402 46.328 45.100 -0.290 0.000 0.885 242 G HN 0.759 nan 8.290 nan 0.000 0.690 243 D N 0.811 121.143 120.400 -0.114 0.000 2.363 243 D HA 0.164 4.792 4.640 -0.019 0.000 0.214 243 D C 0.819 177.087 176.300 -0.054 0.000 1.093 243 D CA 0.140 54.100 54.000 -0.067 0.000 0.837 243 D CB 0.491 41.278 40.800 -0.023 0.000 0.948 243 D HN 0.226 nan 8.370 nan 0.000 0.507 244 K N 1.074 121.424 120.400 -0.084 0.000 2.276 244 K HA 0.125 4.434 4.320 -0.019 0.000 0.285 244 K C -1.282 175.322 176.600 0.006 0.000 1.062 244 K CA -0.436 55.842 56.287 -0.015 0.000 0.918 244 K CB 0.359 32.878 32.500 0.032 0.000 1.055 244 K HN -0.113 nan 8.250 nan 0.000 0.477 245 Y N 5.345 125.573 120.300 -0.121 0.000 2.327 245 Y HA 0.419 4.958 4.550 -0.019 0.000 0.325 245 Y C -1.888 173.939 175.900 -0.121 0.000 0.999 245 Y CA -0.898 57.081 58.100 -0.202 0.000 1.195 245 Y CB 0.754 39.078 38.460 -0.228 0.000 1.132 245 Y HN 0.471 nan 8.280 nan 0.000 0.455 246 L N 5.977 126.862 121.223 -0.565 0.000 2.341 246 L HA 0.959 5.287 4.340 -0.019 0.000 0.278 246 L C -0.722 175.759 176.870 -0.647 0.000 1.005 246 L CA -0.929 53.613 54.840 -0.496 0.000 0.818 246 L CB 1.794 43.693 42.059 -0.266 0.000 1.259 246 L HN 0.823 nan 8.230 nan 0.000 0.418 247 A N 4.677 127.174 122.820 -0.539 0.000 2.486 247 A HA 0.857 5.166 4.320 -0.019 0.000 0.300 247 A C -1.171 176.288 177.584 -0.208 0.000 1.048 247 A CA -0.474 51.322 52.037 -0.401 0.000 0.696 247 A CB 1.807 20.534 19.000 -0.456 0.000 1.278 247 A HN 0.701 nan 8.150 nan 0.000 0.405 248 I N -1.388 119.091 120.570 -0.152 0.000 2.769 248 I HA 0.884 5.043 4.170 -0.019 0.000 0.298 248 I C -0.263 175.801 176.117 -0.089 0.000 1.128 248 I CA -0.938 60.295 61.300 -0.110 0.000 1.031 248 I CB 2.576 40.510 38.000 -0.110 0.000 1.235 248 I HN 0.779 nan 8.210 nan 0.000 0.423 249 A N 5.659 128.436 122.820 -0.072 0.000 3.204 249 A HA 0.624 4.932 4.320 -0.019 0.000 0.327 249 A C -2.667 174.880 177.584 -0.062 0.000 0.998 249 A CA -1.168 50.831 52.037 -0.062 0.000 0.891 249 A CB -0.355 18.619 19.000 -0.043 0.000 1.061 249 A HN 0.604 nan 8.150 nan 0.000 0.478 250 P HA 0.312 nan 4.420 nan 0.000 0.287 250 P C -2.419 174.841 177.300 -0.067 0.000 1.294 250 P CA -1.321 61.735 63.100 -0.073 0.000 0.776 250 P CB 1.550 33.190 31.700 -0.101 0.000 0.889 251 P HA -0.092 nan 4.420 nan 0.000 0.219 251 P C 1.650 178.936 177.300 -0.024 0.000 1.146 251 P CA 0.774 63.858 63.100 -0.027 0.000 0.808 251 P CB 0.005 31.699 31.700 -0.010 0.000 0.779 252 I N 0.053 120.611 120.570 -0.019 0.000 2.361 252 I HA -0.188 3.970 4.170 -0.019 0.000 0.251 252 I C 1.802 177.913 176.117 -0.011 0.000 1.133 252 I CA 1.437 62.753 61.300 0.027 0.000 1.413 252 I CB -0.111 37.940 38.000 0.085 0.000 1.073 252 I HN -0.091 nan 8.210 nan 0.000 0.424 253 I N -2.045 118.418 120.570 -0.177 0.000 3.578 253 I HA -0.107 4.052 4.170 -0.019 0.000 0.295 253 I C 2.114 178.170 176.117 -0.102 0.000 1.280 253 I CA 0.613 61.755 61.300 -0.263 0.000 1.347 253 I CB -0.411 37.332 38.000 -0.429 0.000 1.051 253 I HN 0.065 nan 8.210 nan 0.000 0.460 254 K N 1.442 121.806 120.400 -0.059 0.000 2.147 254 K HA -0.235 4.074 4.320 -0.019 0.000 0.205 254 K C 2.207 178.802 176.600 -0.010 0.000 1.049 254 K CA 1.534 57.801 56.287 -0.033 0.000 0.936 254 K CB -0.088 32.397 32.500 -0.025 0.000 0.722 254 K HN 0.393 nan 8.250 nan 0.000 0.446 255 Q N 0.101 119.908 119.800 0.012 0.000 2.152 255 Q HA -0.129 4.199 4.340 -0.019 0.000 0.206 255 Q C 0.079 176.088 176.000 0.015 0.000 0.985 255 Q CA 1.493 57.311 55.803 0.024 0.000 0.863 255 Q CB 0.114 28.884 28.738 0.055 0.000 0.904 255 Q HN 0.232 nan 8.270 nan 0.000 0.422 256 S N -2.551 113.163 115.700 0.023 0.000 2.587 256 S HA 0.346 4.805 4.470 -0.019 0.000 0.269 256 S C -1.197 173.414 174.600 0.019 0.000 1.154 256 S CA -0.802 57.404 58.200 0.010 0.000 0.824 256 S CB 1.427 64.631 63.200 0.007 0.000 1.118 256 S HN 0.091 nan 8.310 nan 0.000 0.462 257 T N 2.968 117.527 114.554 0.009 0.000 2.869 257 T HA 0.443 4.782 4.350 -0.019 0.000 0.295 257 T C 0.424 175.147 174.700 0.038 0.000 0.987 257 T CA -0.166 61.942 62.100 0.012 0.000 1.109 257 T CB 0.023 68.897 68.868 0.009 0.000 0.932 257 T HN 0.506 nan 8.240 nan 0.000 0.518 258 I N 2.211 122.801 120.570 0.034 0.000 2.823 258 I HA 0.217 4.376 4.170 -0.019 0.000 0.290 258 I C 1.000 177.159 176.117 0.070 0.000 1.091 258 I CA 0.108 61.448 61.300 0.066 0.000 1.365 258 I CB 0.908 38.935 38.000 0.046 0.000 1.427 258 I HN 0.407 nan 8.210 nan 0.000 0.583 259 V N 2.340 122.310 119.914 0.093 0.000 3.410 259 V HA 0.026 4.135 4.120 -0.019 0.000 0.257 259 V C -0.615 175.518 176.094 0.064 0.000 1.757 259 V CA 0.210 62.554 62.300 0.073 0.000 1.047 259 V CB 0.556 32.410 31.823 0.051 0.000 0.915 259 V HN 1.003 nan 8.190 nan 0.000 0.371 260 C N -0.162 119.186 119.300 0.080 0.000 3.318 260 C HA 0.986 5.435 4.460 -0.019 0.000 0.322 260 C C -0.653 174.405 174.990 0.113 0.000 1.398 260 C CA -0.357 58.669 59.018 0.013 0.000 1.339 260 C CB 1.143 28.874 27.740 -0.014 0.000 1.668 260 C HN 0.774 nan 8.230 nan 0.000 0.462 261 H N -0.429 118.702 119.070 0.102 0.000 2.967 261 H HA 0.836 5.380 4.556 -0.019 0.000 0.318 261 H C -1.282 174.148 175.328 0.171 0.000 1.375 261 H CA -0.371 55.760 56.048 0.137 0.000 1.132 261 H CB 1.038 30.875 29.762 0.124 0.000 1.848 261 H HN 0.992 nan 8.280 nan 0.000 0.524 262 N N -0.239 118.715 118.700 0.424 0.000 2.635 262 N HA 0.184 4.913 4.740 -0.019 0.000 0.260 262 N C -1.780 173.844 175.510 0.191 0.000 1.078 262 N CA -0.772 52.452 53.050 0.291 0.000 1.012 262 N CB 1.942 40.534 38.487 0.176 0.000 1.677 262 N HN 0.863 nan 8.380 nan 0.000 0.514 263 R N 2.871 123.377 120.500 0.010 0.000 2.449 263 R HA 0.283 4.612 4.340 -0.019 0.000 0.296 263 R C -0.040 176.069 176.300 -0.318 0.000 1.047 263 R CA -0.158 55.612 56.100 -0.550 0.000 1.018 263 R CB 0.414 30.467 30.300 -0.413 0.000 0.962 263 R HN 0.455 nan 8.270 nan 0.000 0.428 264 V N 2.729 122.378 119.914 -0.441 0.000 2.326 264 V HA -0.015 4.094 4.120 -0.019 0.000 0.238 264 V C 0.318 176.200 176.094 -0.353 0.000 1.038 264 V CA 1.104 63.156 62.300 -0.414 0.000 1.032 264 V CB -0.205 31.289 31.823 -0.548 0.000 0.675 264 V HN 0.774 nan 8.190 nan 0.000 0.467 265 D N 0.705 120.899 120.400 -0.343 0.000 2.225 265 D HA 0.231 4.859 4.640 -0.019 0.000 0.248 265 D C -1.782 174.400 176.300 -0.196 0.000 1.096 265 D CA -1.586 52.285 54.000 -0.217 0.000 0.863 265 D CB 1.595 42.288 40.800 -0.178 0.000 1.156 265 D HN 0.046 nan 8.370 nan 0.000 0.450 266 P HA -0.216 nan 4.420 nan 0.000 0.218 266 P C 1.209 178.441 177.300 -0.112 0.000 1.150 266 P CA 1.207 64.263 63.100 -0.074 0.000 0.841 266 P CB 0.202 31.901 31.700 -0.002 0.000 0.784 267 N N -0.940 117.709 118.700 -0.085 0.000 2.354 267 N HA -0.057 4.672 4.740 -0.019 0.000 0.179 267 N C 1.166 176.462 175.510 -0.356 0.000 1.021 267 N CA 1.465 54.492 53.050 -0.038 0.000 0.887 267 N CB -0.952 37.638 38.487 0.172 0.000 0.974 267 N HN 0.166 nan 8.380 nan 0.000 0.437 268 G N 0.638 109.196 108.800 -0.403 0.000 2.303 268 G HA2 -0.276 3.673 3.960 -0.019 0.000 0.260 268 G HA3 -0.276 3.673 3.960 -0.019 0.000 0.260 268 G C 0.717 175.239 174.900 -0.630 0.000 1.106 268 G CA 0.585 45.353 45.100 -0.554 0.000 0.900 268 G HN 0.621 nan 8.290 nan 0.000 0.495 269 S N -1.146 114.347 115.700 -0.345 0.000 2.406 269 S HA 0.154 4.612 4.470 -0.019 0.000 0.228 269 S C 1.107 175.664 174.600 -0.071 0.000 1.020 269 S CA 0.915 59.054 58.200 -0.102 0.000 0.965 269 S CB 0.388 63.615 63.200 0.046 0.000 0.798 269 S HN 0.713 nan 8.310 nan 0.000 0.488 270 R N -0.181 120.237 120.500 -0.137 0.000 2.621 270 R HA 0.653 4.981 4.340 -0.019 0.000 0.292 270 R C -1.909 174.293 176.300 -0.163 0.000 0.969 270 R CA -0.558 55.489 56.100 -0.090 0.000 0.887 270 R CB 1.471 31.682 30.300 -0.147 0.000 1.180 270 R HN 0.225 nan 8.270 nan 0.000 0.450 271 Y N 1.053 121.301 120.300 -0.088 0.000 2.553 271 Y HA 0.422 4.961 4.550 -0.019 0.000 0.347 271 Y C -0.228 175.675 175.900 0.005 0.000 1.019 271 Y CA -0.870 57.209 58.100 -0.036 0.000 1.032 271 Y CB 1.808 40.256 38.460 -0.021 0.000 1.284 271 Y HN 0.270 nan 8.280 nan 0.000 0.466 272 L N 3.663 125.012 121.223 0.209 0.000 2.334 272 L HA 0.572 4.900 4.340 -0.019 0.000 0.277 272 L C -0.941 176.064 176.870 0.225 0.000 1.075 272 L CA -0.568 54.377 54.840 0.175 0.000 0.804 272 L CB 0.904 43.048 42.059 0.141 0.000 1.174 272 L HN 0.397 nan 8.230 nan 0.000 0.438 273 L N 2.264 123.620 121.223 0.221 0.000 2.409 273 L HA 0.561 4.890 4.340 -0.019 0.000 0.272 273 L C 0.043 177.062 176.870 0.249 0.000 0.980 273 L CA -0.588 54.401 54.840 0.248 0.000 0.826 273 L CB 1.920 44.125 42.059 0.242 0.000 1.268 273 L HN 0.633 nan 8.230 nan 0.000 0.407 274 G N 0.708 109.621 108.800 0.188 0.000 2.335 274 G HA2 0.394 4.342 3.960 -0.019 0.000 0.314 274 G HA3 0.394 4.342 3.960 -0.019 0.000 0.314 274 G C -1.004 173.984 174.900 0.146 0.000 1.129 274 G CA -0.187 44.995 45.100 0.137 0.000 0.912 274 G HN 0.480 nan 8.290 nan 0.000 0.443 275 D N 1.965 122.458 120.400 0.154 0.000 2.329 275 D HA 0.134 4.763 4.640 -0.019 0.000 0.246 275 D C 1.431 177.761 176.300 0.050 0.000 1.111 275 D CA -0.763 53.317 54.000 0.134 0.000 0.941 275 D CB 1.246 42.149 40.800 0.172 0.000 1.169 275 D HN 0.149 nan 8.370 nan 0.000 0.441 276 M N 1.531 121.142 119.600 0.018 0.000 2.549 276 M HA -0.074 4.395 4.480 -0.019 0.000 0.260 276 M C 0.945 177.202 176.300 -0.071 0.000 1.076 276 M CA 1.262 56.541 55.300 -0.034 0.000 1.090 276 M CB -0.218 32.338 32.600 -0.074 0.000 1.418 276 M HN 0.418 nan 8.290 nan 0.000 0.486 277 E N -0.757 119.417 120.200 -0.043 0.000 2.230 277 E HA 0.067 4.405 4.350 -0.019 0.000 0.192 277 E C 1.460 178.041 176.600 -0.031 0.000 0.987 277 E CA 1.059 57.427 56.400 -0.053 0.000 0.841 277 E CB 0.131 29.816 29.700 -0.025 0.000 0.783 277 E HN 0.647 nan 8.360 nan 0.000 0.481 278 G N 1.481 110.268 108.800 -0.022 0.000 2.211 278 G HA2 -0.217 3.731 3.960 -0.019 0.000 0.201 278 G HA3 -0.217 3.731 3.960 -0.019 0.000 0.201 278 G C 0.301 175.161 174.900 -0.066 0.000 0.997 278 G CA -0.241 44.842 45.100 -0.029 0.000 0.652 278 G HN 0.100 nan 8.290 nan 0.000 0.500 279 R N -0.305 120.136 120.500 -0.097 0.000 2.594 279 R HA 0.561 4.890 4.340 -0.019 0.000 0.272 279 R C -0.543 175.572 176.300 -0.307 0.000 1.074 279 R CA -0.271 55.679 56.100 -0.250 0.000 1.105 279 R CB 1.044 31.129 30.300 -0.358 0.000 1.008 279 R HN 0.244 nan 8.270 nan 0.000 0.472 280 L N 3.363 124.340 121.223 -0.411 0.000 2.349 280 L HA 0.464 4.793 4.340 -0.019 0.000 0.278 280 L C -1.480 175.168 176.870 -0.369 0.000 0.996 280 L CA -0.253 54.436 54.840 -0.250 0.000 0.825 280 L CB 1.056 43.052 42.059 -0.105 0.000 1.243 280 L HN 0.417 nan 8.230 nan 0.000 0.412 281 F N 4.367 124.334 119.950 0.029 0.000 2.541 281 F HA 0.696 5.212 4.527 -0.019 0.000 0.331 281 F C 0.090 175.899 175.800 0.016 0.000 1.057 281 F CA -0.719 57.292 58.000 0.019 0.000 0.975 281 F CB 1.866 40.874 39.000 0.014 0.000 1.246 281 F HN 0.424 nan 8.300 nan 0.000 0.484 282 M N 3.000 122.726 119.600 0.209 0.000 2.311 282 M HA 0.487 4.956 4.480 -0.019 0.000 0.325 282 M C -2.022 174.331 176.300 0.087 0.000 1.061 282 M CA -0.335 55.027 55.300 0.104 0.000 0.957 282 M CB 1.475 34.084 32.600 0.015 0.000 1.646 282 M HN 0.542 nan 8.290 nan 0.000 0.434 283 L N 6.288 127.558 121.223 0.079 0.000 2.313 283 L HA 0.657 4.985 4.340 -0.019 0.000 0.283 283 L C -1.982 174.910 176.870 0.037 0.000 1.013 283 L CA -0.762 54.100 54.840 0.038 0.000 0.816 283 L CB 1.113 43.185 42.059 0.021 0.000 1.236 283 L HN 0.785 nan 8.230 nan 0.000 0.419 284 L N 5.519 126.741 121.223 -0.002 0.000 2.362 284 L HA 0.530 4.858 4.340 -0.019 0.000 0.271 284 L C -0.716 176.143 176.870 -0.018 0.000 1.002 284 L CA -0.327 54.510 54.840 -0.006 0.000 0.818 284 L CB 2.053 44.100 42.059 -0.020 0.000 1.298 284 L HN 0.459 nan 8.230 nan 0.000 0.420 285 L N 2.474 123.701 121.223 0.006 0.000 2.318 285 L HA 0.405 4.733 4.340 -0.019 0.000 0.277 285 L C 0.014 176.922 176.870 0.062 0.000 1.008 285 L CA -0.355 54.497 54.840 0.021 0.000 0.846 285 L CB 1.390 43.487 42.059 0.064 0.000 1.220 285 L HN 0.652 nan 8.230 nan 0.000 0.423 286 E N 4.662 124.859 120.200 -0.004 0.000 2.104 286 E HA 0.107 4.446 4.350 -0.019 0.000 0.278 286 E C -0.228 176.356 176.600 -0.027 0.000 1.127 286 E CA -0.136 56.257 56.400 -0.012 0.000 0.897 286 E CB 0.733 30.409 29.700 -0.040 0.000 1.043 286 E HN 0.457 nan 8.360 nan 0.000 0.410 287 K N 2.603 122.995 120.400 -0.013 0.000 2.181 287 K HA 0.089 4.398 4.320 -0.019 0.000 0.239 287 K C 0.155 176.685 176.600 -0.116 0.000 1.073 287 K CA 0.185 56.401 56.287 -0.118 0.000 0.839 287 K CB 0.368 32.777 32.500 -0.151 0.000 1.116 287 K HN 0.431 nan 8.250 nan 0.000 0.518 288 E N 0.468 120.579 120.200 -0.147 0.000 2.677 288 E HA 0.031 4.369 4.350 -0.019 0.000 0.330 288 E C -1.966 174.567 176.600 -0.111 0.000 0.933 288 E CA -0.126 56.208 56.400 -0.110 0.000 0.797 288 E CB 1.317 30.956 29.700 -0.101 0.000 1.326 288 E HN 0.485 nan 8.360 nan 0.000 0.404 289 E N 2.806 122.955 120.200 -0.085 0.000 2.249 289 E HA 0.245 4.584 4.350 -0.019 0.000 0.280 289 E C -1.018 175.547 176.600 -0.058 0.000 1.016 289 E CA -0.512 55.843 56.400 -0.075 0.000 0.830 289 E CB 1.125 30.788 29.700 -0.061 0.000 1.081 289 E HN 0.431 nan 8.360 nan 0.000 0.395 290 Q N 4.806 124.574 119.800 -0.054 0.000 2.330 290 Q HA 0.269 4.597 4.340 -0.019 0.000 0.269 290 Q C 0.396 176.376 176.000 -0.033 0.000 1.022 290 Q CA -0.560 55.220 55.803 -0.039 0.000 0.796 290 Q CB 1.547 30.263 28.738 -0.037 0.000 1.271 290 Q HN 0.667 nan 8.270 nan 0.000 0.450 291 M N 1.472 121.056 119.600 -0.026 0.000 6.234 291 M HA -0.258 4.210 4.480 -0.019 0.000 0.342 291 M C 0.614 176.903 176.300 -0.019 0.000 0.936 291 M CA 2.436 57.724 55.300 -0.021 0.000 1.030 291 M CB -0.515 32.075 32.600 -0.016 0.000 1.151 291 M HN 0.980 nan 8.290 nan 0.000 0.931 292 D N 0.897 121.288 120.400 -0.014 0.000 2.688 292 D HA 0.332 4.961 4.640 -0.019 0.000 0.228 292 D C -0.206 176.087 176.300 -0.012 0.000 1.116 292 D CA 0.258 54.251 54.000 -0.011 0.000 1.023 292 D CB -0.512 40.285 40.800 -0.007 0.000 1.100 292 D HN 0.496 nan 8.370 nan 0.000 0.487 293 G N 0.072 108.862 108.800 -0.017 0.000 2.702 293 G HA2 0.375 4.323 3.960 -0.019 0.000 0.296 293 G HA3 0.375 4.323 3.960 -0.019 0.000 0.296 293 G C -0.559 174.323 174.900 -0.030 0.000 1.463 293 G CA -0.810 44.279 45.100 -0.019 0.000 0.890 293 G HN 0.108 nan 8.290 nan 0.000 0.534 294 T N 0.881 115.419 114.554 -0.028 0.000 2.932 294 T HA 0.361 4.700 4.350 -0.019 0.000 0.312 294 T C 1.187 175.841 174.700 -0.077 0.000 1.071 294 T CA -0.040 62.035 62.100 -0.041 0.000 1.128 294 T CB 1.132 69.988 68.868 -0.020 0.000 0.984 294 T HN 1.217 nan 8.240 nan 0.000 0.549 295 V N 1.412 121.251 119.914 -0.124 0.000 2.694 295 V HA 0.327 4.435 4.120 -0.019 0.000 0.306 295 V C 0.778 176.737 176.094 -0.225 0.000 1.054 295 V CA -0.507 61.670 62.300 -0.204 0.000 1.161 295 V CB 0.137 31.767 31.823 -0.322 0.000 0.916 295 V HN 0.998 nan 8.190 nan 0.000 0.490 296 T N 3.934 118.367 114.554 -0.202 0.000 2.864 296 T HA 0.776 5.114 4.350 -0.019 0.000 0.276 296 T C -0.687 173.877 174.700 -0.227 0.000 1.006 296 T CA -0.661 61.335 62.100 -0.173 0.000 0.970 296 T CB 1.182 69.986 68.868 -0.106 0.000 1.420 296 T HN 0.562 nan 8.240 nan 0.000 0.601 297 L N 1.177 122.293 121.223 -0.179 0.000 2.371 297 L HA 0.638 4.967 4.340 -0.019 0.000 0.262 297 L C 0.436 177.214 176.870 -0.153 0.000 1.006 297 L CA -0.613 54.116 54.840 -0.186 0.000 0.818 297 L CB 2.095 44.002 42.059 -0.253 0.000 1.354 297 L HN 0.601 nan 8.230 nan 0.000 0.415 298 K N 0.329 120.650 120.400 -0.133 0.000 2.273 298 K HA 0.305 4.614 4.320 -0.019 0.000 0.206 298 K C -0.483 176.043 176.600 -0.124 0.000 1.072 298 K CA 0.758 56.978 56.287 -0.111 0.000 0.953 298 K CB 0.394 32.843 32.500 -0.084 0.000 1.043 298 K HN 0.621 nan 8.250 nan 0.000 0.477 299 D N -0.953 119.374 120.400 -0.123 0.000 2.599 299 D HA 0.374 5.003 4.640 -0.019 0.000 0.252 299 D C -1.629 174.598 176.300 -0.122 0.000 1.232 299 D CA -0.600 53.327 54.000 -0.122 0.000 0.819 299 D CB 1.278 42.024 40.800 -0.089 0.000 1.401 299 D HN 0.077 nan 8.370 nan 0.000 0.429 300 L N -0.144 121.004 121.223 -0.125 0.000 2.408 300 L HA 0.832 5.161 4.340 -0.019 0.000 0.268 300 L C -0.785 176.033 176.870 -0.087 0.000 0.986 300 L CA -0.941 53.836 54.840 -0.106 0.000 0.820 300 L CB 2.118 44.099 42.059 -0.131 0.000 1.303 300 L HN 0.488 nan 8.230 nan 0.000 0.411 301 R N 1.944 122.405 120.500 -0.065 0.000 2.888 301 R HA 0.862 5.191 4.340 -0.019 0.000 0.264 301 R C -1.950 174.324 176.300 -0.044 0.000 1.045 301 R CA -0.855 55.211 56.100 -0.056 0.000 0.962 301 R CB 2.285 32.559 30.300 -0.044 0.000 1.210 301 R HN 0.502 nan 8.270 nan 0.000 0.479 302 V N 1.293 121.183 119.914 -0.040 0.000 2.487 302 V HA 0.343 4.452 4.120 -0.019 0.000 0.298 302 V C -0.633 175.490 176.094 0.048 0.000 1.028 302 V CA -0.609 61.681 62.300 -0.017 0.000 0.860 302 V CB 1.681 33.443 31.823 -0.102 0.000 0.991 302 V HN 0.740 nan 8.190 nan 0.000 0.427 303 E N 3.646 123.903 120.200 0.096 0.000 2.165 303 E HA 0.368 4.707 4.350 -0.019 0.000 0.266 303 E C -1.000 175.721 176.600 0.201 0.000 0.889 303 E CA -0.965 55.495 56.400 0.100 0.000 0.756 303 E CB 2.307 31.999 29.700 -0.013 0.000 1.131 303 E HN 0.483 nan 8.360 nan 0.000 0.411 304 L N 4.800 126.163 121.223 0.234 0.000 2.462 304 L HA 0.025 4.354 4.340 -0.019 0.000 0.272 304 L C 0.009 176.906 176.870 0.045 0.000 1.166 304 L CA 0.774 55.671 54.840 0.096 0.000 0.880 304 L CB 0.225 42.334 42.059 0.084 0.000 1.142 304 L HN 0.744 nan 8.230 nan 0.000 0.473 305 L N 4.619 125.818 121.223 -0.040 0.000 2.575 305 L HA 0.448 4.777 4.340 -0.019 0.000 0.228 305 L C 1.004 177.929 176.870 0.092 0.000 1.075 305 L CA 0.616 55.500 54.840 0.073 0.000 0.867 305 L CB 0.077 42.140 42.059 0.007 0.000 1.097 305 L HN 0.925 nan 8.230 nan 0.000 0.485 306 G N 0.803 109.572 108.800 -0.052 0.000 2.347 306 G HA2 0.033 3.982 3.960 -0.019 0.000 0.224 306 G HA3 0.033 3.982 3.960 -0.019 0.000 0.224 306 G C -1.487 173.344 174.900 -0.116 0.000 1.318 306 G CA -0.332 44.735 45.100 -0.055 0.000 1.016 306 G HN 0.064 nan 8.290 nan 0.000 0.469 307 E N -0.461 119.690 120.200 -0.081 0.000 2.343 307 E HA 0.600 4.938 4.350 -0.019 0.000 0.286 307 E C -0.147 176.417 176.600 -0.060 0.000 0.915 307 E CA 0.048 56.399 56.400 -0.081 0.000 0.784 307 E CB 1.501 31.162 29.700 -0.065 0.000 1.251 307 E HN 0.977 nan 8.360 nan 0.000 0.407 308 T N 0.571 115.089 114.554 -0.060 0.000 2.768 308 T HA 0.628 4.966 4.350 -0.019 0.000 0.268 308 T C 0.150 174.823 174.700 -0.045 0.000 0.969 308 T CA -0.695 61.372 62.100 -0.056 0.000 1.008 308 T CB 0.855 69.686 68.868 -0.062 0.000 1.371 308 T HN 0.348 nan 8.240 nan 0.000 0.587 309 S N 0.754 116.422 115.700 -0.053 0.000 2.614 309 S HA 0.390 4.849 4.470 -0.019 0.000 0.265 309 S C 0.656 175.240 174.600 -0.027 0.000 1.303 309 S CA -0.948 57.230 58.200 -0.036 0.000 1.000 309 S CB -0.141 63.028 63.200 -0.051 0.000 0.935 309 S HN 0.609 nan 8.310 nan 0.000 0.551 310 I N 1.577 122.147 120.570 -0.000 0.000 2.845 310 I HA 0.008 4.167 4.170 -0.019 0.000 0.290 310 I C 0.735 176.848 176.117 -0.006 0.000 1.202 310 I CA 0.145 61.452 61.300 0.011 0.000 1.406 310 I CB -1.581 36.450 38.000 0.053 0.000 1.383 310 I HN 0.661 nan 8.210 nan 0.000 0.549 311 A N 6.963 129.778 122.820 -0.009 0.000 2.276 311 A HA 0.254 4.562 4.320 -0.019 0.000 0.300 311 A C 1.125 178.707 177.584 -0.004 0.000 1.235 311 A CA -0.506 51.519 52.037 -0.020 0.000 0.867 311 A CB 0.728 19.720 19.000 -0.014 0.000 1.137 311 A HN 0.807 nan 8.150 nan 0.000 0.527 312 E N 0.842 121.037 120.200 -0.009 0.000 2.086 312 E HA -0.012 4.327 4.350 -0.019 0.000 0.190 312 E C -0.166 176.433 176.600 -0.002 0.000 0.975 312 E CA 0.844 57.244 56.400 -0.001 0.000 0.813 312 E CB 0.375 30.076 29.700 0.000 0.000 0.768 312 E HN 0.661 nan 8.360 nan 0.000 0.457 313 c N 1.122 119.722 118.600 0.000 0.000 2.482 313 c HA 0.569 5.127 4.570 -0.019 0.000 0.317 313 c C -1.499 172.608 174.090 0.029 0.000 1.197 313 c CA -0.797 55.547 56.329 0.025 0.000 1.432 313 c CB 0.168 42.720 42.510 0.070 0.000 2.062 313 c HN 0.135 nan 8.230 nan 0.000 0.471 314 L N 4.477 125.731 121.223 0.051 0.000 2.410 314 L HA 0.736 5.065 4.340 -0.019 0.000 0.270 314 L C -0.028 176.917 176.870 0.125 0.000 0.983 314 L CA 0.209 55.097 54.840 0.079 0.000 0.822 314 L CB 2.224 44.328 42.059 0.074 0.000 1.285 314 L HN 0.754 nan 8.230 nan 0.000 0.409 315 T N 2.591 117.245 114.554 0.167 0.000 3.050 315 T HA 0.238 4.576 4.350 -0.019 0.000 0.310 315 T C -0.987 173.810 174.700 0.161 0.000 0.978 315 T CA -0.424 61.772 62.100 0.159 0.000 1.013 315 T CB 0.527 69.481 68.868 0.143 0.000 1.000 315 T HN 0.258 nan 8.240 nan 0.000 0.447 316 Y N 4.630 124.960 120.300 0.051 0.000 2.526 316 Y HA 0.369 4.908 4.550 -0.019 0.000 0.330 316 Y C -0.034 175.882 175.900 0.027 0.000 1.156 316 Y CA -0.057 58.063 58.100 0.033 0.000 1.419 316 Y CB 0.237 38.698 38.460 0.002 0.000 1.250 316 Y HN 0.611 nan 8.280 nan 0.000 0.540 317 L N 3.076 123.858 121.223 -0.736 0.000 2.665 317 L HA 0.177 4.506 4.340 -0.019 0.000 0.201 317 L C 1.125 177.579 176.870 -0.694 0.000 1.805 317 L CA -0.796 53.741 54.840 -0.504 0.000 3.015 317 L CB -0.156 41.737 42.059 -0.276 0.000 2.866 317 L HN 0.526 nan 8.230 nan 0.000 0.765 318 D N 0.477 120.634 120.400 -0.405 0.000 1.852 318 D HA -0.060 4.569 4.640 -0.019 0.000 0.277 318 D C 0.154 176.332 176.300 -0.203 0.000 1.056 318 D CA 1.146 55.011 54.000 -0.226 0.000 0.962 318 D CB -0.041 40.695 40.800 -0.107 0.000 1.390 318 D HN 0.277 nan 8.370 nan 0.000 0.518 319 N N -0.396 118.257 118.700 -0.078 0.000 2.696 319 N HA 0.341 5.070 4.740 -0.019 0.000 0.246 319 N C 0.380 175.949 175.510 0.098 0.000 1.057 319 N CA 0.208 53.308 53.050 0.082 0.000 0.867 319 N CB 1.582 40.108 38.487 0.064 0.000 1.141 319 N HN 0.444 nan 8.380 nan 0.000 0.517 320 G N 0.536 109.488 108.800 0.253 0.000 2.189 320 G HA2 -0.311 3.638 3.960 -0.019 0.000 0.267 320 G HA3 -0.311 3.638 3.960 -0.019 0.000 0.267 320 G C 0.257 175.223 174.900 0.109 0.000 0.975 320 G CA 0.699 45.947 45.100 0.247 0.000 0.644 320 G HN 0.455 nan 8.290 nan 0.000 0.537 321 V N -0.997 118.883 119.914 -0.057 0.000 2.530 321 V HA 0.721 4.830 4.120 -0.019 0.000 0.282 321 V C 0.533 176.561 176.094 -0.110 0.000 1.048 321 V CA -1.007 61.248 62.300 -0.075 0.000 0.997 321 V CB 1.769 33.537 31.823 -0.091 0.000 0.987 321 V HN 0.407 nan 8.190 nan 0.000 0.477 322 V N 5.457 125.381 119.914 0.016 0.000 2.531 322 V HA 0.418 4.527 4.120 -0.019 0.000 0.301 322 V C -0.517 175.633 176.094 0.094 0.000 1.034 322 V CA -0.438 61.902 62.300 0.067 0.000 0.865 322 V CB 1.655 33.547 31.823 0.114 0.000 0.995 322 V HN 0.807 nan 8.190 nan 0.000 0.424 323 F N 5.734 125.678 119.950 -0.010 0.000 2.396 323 F HA 0.647 5.163 4.527 -0.018 0.000 0.343 323 F C -0.134 175.683 175.800 0.029 0.000 1.104 323 F CA -0.250 57.757 58.000 0.012 0.000 1.161 323 F CB 1.309 40.292 39.000 -0.029 0.000 1.146 323 F HN 0.240 nan 8.300 nan 0.000 0.522 324 V N 6.132 125.505 119.914 -0.901 0.000 2.325 324 V HA 0.418 4.527 4.120 -0.019 0.000 0.280 324 V C 0.303 175.916 176.094 -0.802 0.000 1.016 324 V CA -0.676 61.272 62.300 -0.585 0.000 0.818 324 V CB 1.013 32.656 31.823 -0.301 0.000 1.019 324 V HN 1.010 nan 8.190 nan 0.000 0.434 325 G N 2.648 111.140 108.800 -0.515 0.000 2.333 325 G HA2 0.498 4.447 3.960 -0.019 0.000 0.290 325 G HA3 0.498 4.447 3.960 -0.019 0.000 0.290 325 G C -0.170 174.669 174.900 -0.101 0.000 1.150 325 G CA -0.077 44.899 45.100 -0.206 0.000 0.895 325 G HN 0.654 nan 8.290 nan 0.000 0.444 326 S N 1.115 116.773 115.700 -0.070 0.000 2.566 326 S HA 0.645 5.104 4.470 -0.019 0.000 0.298 326 S C 0.966 175.558 174.600 -0.013 0.000 1.083 326 S CA -0.815 57.361 58.200 -0.039 0.000 0.978 326 S CB 1.515 64.686 63.200 -0.048 0.000 1.073 326 S HN 0.817 nan 8.310 nan 0.000 0.491 327 R N 2.345 122.840 120.500 -0.009 0.000 2.492 327 R HA 0.407 4.736 4.340 -0.019 0.000 0.219 327 R C 1.207 177.495 176.300 -0.019 0.000 0.886 327 R CA -0.077 56.015 56.100 -0.013 0.000 1.003 327 R CB -0.516 29.775 30.300 -0.015 0.000 1.345 327 R HN 0.515 nan 8.270 nan 0.000 0.631 328 L N 1.242 122.464 121.223 -0.003 0.000 2.376 328 L HA 0.232 4.561 4.340 -0.019 0.000 0.219 328 L C 0.883 177.737 176.870 -0.026 0.000 1.133 328 L CA 0.937 55.773 54.840 -0.006 0.000 0.816 328 L CB -0.162 41.938 42.059 0.068 0.000 0.933 328 L HN 0.434 nan 8.230 nan 0.000 0.449 329 G N -1.773 107.014 108.800 -0.021 0.000 2.788 329 G HA2 0.295 4.244 3.960 -0.019 0.000 0.293 329 G HA3 0.295 4.244 3.960 -0.019 0.000 0.293 329 G C -1.690 173.190 174.900 -0.033 0.000 1.392 329 G CA -0.578 44.502 45.100 -0.035 0.000 0.810 329 G HN -0.209 nan 8.290 nan 0.000 0.508 330 D N 0.630 121.006 120.400 -0.041 0.000 2.424 330 D HA 0.417 5.046 4.640 -0.019 0.000 0.244 330 D C 0.651 176.942 176.300 -0.016 0.000 1.134 330 D CA 0.478 54.464 54.000 -0.024 0.000 0.881 330 D CB 1.366 42.139 40.800 -0.046 0.000 1.191 330 D HN 0.147 nan 8.370 nan 0.000 0.445 331 S N 1.153 116.885 115.700 0.052 0.000 2.585 331 S HA 0.292 4.751 4.470 -0.019 0.000 0.273 331 S C 0.062 174.717 174.600 0.092 0.000 1.339 331 S CA -0.536 57.701 58.200 0.060 0.000 1.028 331 S CB 0.661 63.961 63.200 0.168 0.000 0.906 331 S HN 0.483 nan 8.310 nan 0.000 0.528 332 Q N 1.245 121.000 119.800 -0.075 0.000 2.482 332 Q HA 0.571 4.899 4.340 -0.019 0.000 0.286 332 Q C -2.051 173.881 176.000 -0.112 0.000 1.007 332 Q CA -1.002 54.672 55.803 -0.215 0.000 0.801 332 Q CB 0.860 29.462 28.738 -0.227 0.000 1.455 332 Q HN 0.426 nan 8.270 nan 0.000 0.398 333 L N 1.658 122.805 121.223 -0.127 0.000 2.309 333 L HA 0.694 5.022 4.340 -0.019 0.000 0.282 333 L C -1.213 175.634 176.870 -0.040 0.000 1.036 333 L CA -0.652 54.211 54.840 0.039 0.000 0.806 333 L CB 1.755 43.882 42.059 0.114 0.000 1.220 333 L HN 0.655 nan 8.230 nan 0.000 0.429 334 V N 4.079 123.991 119.914 -0.004 0.000 2.760 334 V HA 0.487 4.596 4.120 -0.019 0.000 0.309 334 V C -0.718 175.386 176.094 0.015 0.000 1.077 334 V CA -0.960 61.333 62.300 -0.012 0.000 0.910 334 V CB 2.373 34.183 31.823 -0.022 0.000 1.008 334 V HN 0.745 nan 8.190 nan 0.000 0.424 335 K N 4.470 124.881 120.400 0.017 0.000 2.185 335 K HA 0.667 4.975 4.320 -0.019 0.000 0.269 335 K C -1.342 175.294 176.600 0.060 0.000 0.987 335 K CA -0.205 56.105 56.287 0.037 0.000 0.865 335 K CB 1.152 33.668 32.500 0.027 0.000 1.090 335 K HN 0.601 nan 8.250 nan 0.000 0.450 336 L N 4.546 125.822 121.223 0.089 0.000 2.287 336 L HA 0.437 4.766 4.340 -0.019 0.000 0.287 336 L C -0.516 176.421 176.870 0.111 0.000 1.022 336 L CA -0.653 54.252 54.840 0.109 0.000 0.814 336 L CB 1.566 43.699 42.059 0.123 0.000 1.217 336 L HN 0.778 nan 8.230 nan 0.000 0.420 337 N N 0.729 119.512 118.700 0.139 0.000 2.335 337 N HA 0.289 5.018 4.740 -0.019 0.000 0.304 337 N C 0.807 176.433 175.510 0.193 0.000 1.135 337 N CA -0.813 52.319 53.050 0.138 0.000 0.817 337 N CB 2.504 41.059 38.487 0.114 0.000 1.294 337 N HN 0.237 nan 8.380 nan 0.000 0.497 338 V N -0.671 119.324 119.914 0.135 0.000 2.594 338 V HA -0.116 3.993 4.120 -0.019 0.000 0.253 338 V C -0.000 176.245 176.094 0.251 0.000 1.069 338 V CA 1.418 63.795 62.300 0.130 0.000 1.082 338 V CB -0.539 31.330 31.823 0.076 0.000 0.680 338 V HN 0.664 nan 8.190 nan 0.000 0.469 339 D N 0.613 121.143 120.400 0.217 0.000 2.308 339 D HA 0.384 5.013 4.640 -0.019 0.000 0.242 339 D C 0.130 176.416 176.300 -0.025 0.000 1.059 339 D CA 0.095 54.180 54.000 0.142 0.000 0.830 339 D CB 1.947 42.781 40.800 0.057 0.000 1.161 339 D HN 0.370 nan 8.370 nan 0.000 0.494 340 S N 2.059 117.539 115.700 -0.366 0.000 2.576 340 S HA 0.110 4.569 4.470 -0.019 0.000 0.272 340 S C 0.544 174.977 174.600 -0.277 0.000 1.352 340 S CA -0.431 57.376 58.200 -0.655 0.000 1.021 340 S CB 0.803 63.481 63.200 -0.869 0.000 0.887 340 S HN 0.533 nan 8.310 nan 0.000 0.542 341 N N 0.390 118.952 118.700 -0.230 0.000 2.547 341 N HA 0.246 4.975 4.740 -0.019 0.000 0.301 341 N C -0.733 174.700 175.510 -0.128 0.000 1.328 341 N CA -0.819 52.151 53.050 -0.134 0.000 0.932 341 N CB -0.099 38.332 38.487 -0.094 0.000 1.104 341 N HN 0.777 nan 8.380 nan 0.000 0.548 342 E N -0.829 119.318 120.200 -0.088 0.000 2.259 342 E HA 0.099 4.438 4.350 -0.019 0.000 0.281 342 E C -0.210 176.345 176.600 -0.075 0.000 1.037 342 E CA -0.306 56.049 56.400 -0.074 0.000 0.854 342 E CB 1.592 31.261 29.700 -0.053 0.000 1.051 342 E HN 0.858 nan 8.360 nan 0.000 0.409 343 Q N 1.963 121.719 119.800 -0.074 0.000 5.729 343 Q HA -0.157 4.172 4.340 -0.019 0.000 0.277 343 Q C 0.583 176.529 176.000 -0.091 0.000 0.982 343 Q CA 1.383 57.144 55.803 -0.071 0.000 0.819 343 Q CB -1.643 27.055 28.738 -0.066 0.000 0.574 343 Q HN 1.301 nan 8.270 nan 0.000 1.031 344 G N 0.557 109.274 108.800 -0.138 0.000 2.255 344 G HA2 -0.221 3.728 3.960 -0.019 0.000 0.239 344 G HA3 -0.221 3.728 3.960 -0.019 0.000 0.239 344 G C -0.378 174.367 174.900 -0.259 0.000 1.083 344 G CA 0.709 45.682 45.100 -0.211 0.000 0.826 344 G HN 0.721 nan 8.290 nan 0.000 0.493 345 S N -0.644 114.913 115.700 -0.238 0.000 2.429 345 S HA 0.615 5.074 4.470 -0.019 0.000 0.302 345 S C 1.064 175.533 174.600 -0.219 0.000 1.115 345 S CA -0.585 57.520 58.200 -0.157 0.000 1.095 345 S CB 0.538 63.686 63.200 -0.087 0.000 0.987 345 S HN 0.325 nan 8.310 nan 0.000 0.474 346 Y N 3.262 123.547 120.300 -0.025 0.000 2.578 346 Y HA 0.223 4.762 4.550 -0.019 0.000 0.297 346 Y C 0.587 176.480 175.900 -0.013 0.000 1.176 346 Y CA -0.027 58.065 58.100 -0.014 0.000 1.315 346 Y CB 0.311 38.766 38.460 -0.009 0.000 1.031 346 Y HN 0.360 nan 8.280 nan 0.000 0.524 347 V N 0.824 120.790 119.914 0.086 0.000 2.459 347 V HA 0.414 4.522 4.120 -0.019 0.000 0.295 347 V C -0.408 175.691 176.094 0.008 0.000 1.029 347 V CA -1.006 61.322 62.300 0.047 0.000 0.874 347 V CB 1.907 33.742 31.823 0.021 0.000 0.985 347 V HN -0.220 nan 8.190 nan 0.000 0.438 348 V N 3.857 123.776 119.914 0.008 0.000 2.525 348 V HA 0.677 4.785 4.120 -0.019 0.000 0.299 348 V C 0.341 176.423 176.094 -0.021 0.000 1.034 348 V CA -0.770 61.523 62.300 -0.011 0.000 0.863 348 V CB 1.835 33.655 31.823 -0.006 0.000 0.999 348 V HN 0.996 nan 8.190 nan 0.000 0.423 349 A N 5.154 127.951 122.820 -0.037 0.000 2.425 349 A HA 0.606 4.915 4.320 -0.019 0.000 0.249 349 A C 0.686 178.234 177.584 -0.060 0.000 1.084 349 A CA 0.068 52.070 52.037 -0.059 0.000 0.781 349 A CB 0.408 19.360 19.000 -0.079 0.000 1.019 349 A HN 0.924 nan 8.150 nan 0.000 0.490 350 M N 0.219 119.776 119.600 -0.071 0.000 2.730 350 M HA 0.256 4.724 4.480 -0.019 0.000 0.258 350 M C 0.618 176.852 176.300 -0.110 0.000 1.279 350 M CA 0.862 56.124 55.300 -0.065 0.000 1.183 350 M CB 0.495 33.075 32.600 -0.034 0.000 1.291 350 M HN 0.762 nan 8.290 nan 0.000 0.518 351 E N -0.354 119.730 120.200 -0.193 0.000 2.390 351 E HA 0.379 4.717 4.350 -0.019 0.000 0.277 351 E C -1.450 174.786 176.600 -0.607 0.000 0.939 351 E CA -0.219 55.969 56.400 -0.352 0.000 0.769 351 E CB 2.975 32.473 29.700 -0.336 0.000 1.251 351 E HN -0.158 nan 8.360 nan 0.000 0.450 352 T N 2.364 116.511 114.554 -0.679 0.000 2.841 352 T HA 0.518 4.857 4.350 -0.019 0.000 0.285 352 T C -1.201 173.111 174.700 -0.645 0.000 0.991 352 T CA -0.444 61.300 62.100 -0.593 0.000 0.966 352 T CB 0.150 68.850 68.868 -0.280 0.000 0.962 352 T HN 0.204 nan 8.240 nan 0.000 0.438 353 F N 2.179 122.110 119.950 -0.031 0.000 2.443 353 F HA 0.452 4.968 4.527 -0.018 0.000 0.335 353 F C 1.278 177.059 175.800 -0.033 0.000 1.104 353 F CA -1.168 56.822 58.000 -0.016 0.000 1.013 353 F CB 1.314 40.325 39.000 0.018 0.000 1.136 353 F HN 0.402 nan 8.300 nan 0.000 0.470 354 T N -0.337 114.290 114.554 0.120 0.000 2.794 354 T HA 0.244 4.582 4.350 -0.019 0.000 0.296 354 T C -0.451 174.271 174.700 0.036 0.000 0.949 354 T CA -0.717 61.400 62.100 0.030 0.000 1.101 354 T CB 0.799 69.656 68.868 -0.019 0.000 0.905 354 T HN 0.475 nan 8.240 nan 0.000 0.516 355 N N 2.894 121.597 118.700 0.005 0.000 2.417 355 N HA 0.264 4.993 4.740 -0.019 0.000 0.274 355 N C 0.650 176.135 175.510 -0.041 0.000 0.987 355 N CA -1.122 51.924 53.050 -0.008 0.000 0.912 355 N CB 0.884 39.366 38.487 -0.009 0.000 1.177 355 N HN 0.679 nan 8.380 nan 0.000 0.490 356 L N 2.434 123.629 121.223 -0.048 0.000 2.622 356 L HA 0.187 4.516 4.340 -0.019 0.000 0.233 356 L C 1.380 178.208 176.870 -0.070 0.000 1.156 356 L CA 0.396 55.195 54.840 -0.069 0.000 0.866 356 L CB -1.314 40.702 42.059 -0.072 0.000 0.980 356 L HN 0.853 nan 8.230 nan 0.000 0.448 357 G N 0.504 109.270 108.800 -0.058 0.000 2.693 357 G HA2 -0.226 3.723 3.960 -0.019 0.000 0.226 357 G HA3 -0.226 3.723 3.960 -0.019 0.000 0.226 357 G C -2.729 172.133 174.900 -0.063 0.000 1.354 357 G CA -0.913 44.148 45.100 -0.064 0.000 0.873 357 G HN 0.072 nan 8.290 nan 0.000 0.562 358 P HA 0.388 nan 4.420 nan 0.000 0.275 358 P C 0.226 177.481 177.300 -0.074 0.000 1.276 358 P CA -0.048 63.008 63.100 -0.073 0.000 0.782 358 P CB 0.196 31.838 31.700 -0.098 0.000 0.851 359 I N 3.943 124.481 120.570 -0.053 0.000 2.436 359 I HA -0.008 4.150 4.170 -0.019 0.000 0.289 359 I C 1.511 177.604 176.117 -0.040 0.000 1.083 359 I CA 0.095 61.361 61.300 -0.057 0.000 1.372 359 I CB 0.873 38.844 38.000 -0.048 0.000 1.408 359 I HN 0.173 nan 8.210 nan 0.000 0.516 360 V N 4.644 124.526 119.914 -0.053 0.000 3.212 360 V HA 0.134 4.243 4.120 -0.019 0.000 0.244 360 V C 0.123 176.209 176.094 -0.013 0.000 1.151 360 V CA 0.999 63.279 62.300 -0.034 0.000 1.119 360 V CB 0.267 32.051 31.823 -0.065 0.000 0.838 360 V HN 0.822 nan 8.190 nan 0.000 0.470 361 D N -0.992 119.391 120.400 -0.030 0.000 2.639 361 D HA 0.570 5.199 4.640 -0.019 0.000 0.271 361 D C -0.896 175.382 176.300 -0.037 0.000 1.254 361 D CA -0.432 53.560 54.000 -0.013 0.000 0.810 361 D CB 1.826 42.628 40.800 0.004 0.000 1.351 361 D HN 0.143 nan 8.370 nan 0.000 0.427 362 M N -0.382 119.205 119.600 -0.022 0.000 2.880 362 M HA 0.746 5.215 4.480 -0.019 0.000 0.269 362 M C -1.346 174.948 176.300 -0.010 0.000 1.248 362 M CA -0.809 54.464 55.300 -0.045 0.000 0.821 362 M CB 2.054 34.622 32.600 -0.054 0.000 1.650 362 M HN 0.709 nan 8.290 nan 0.000 0.479 363 C N -0.767 118.518 119.300 -0.025 0.000 3.295 363 C HA 0.908 5.357 4.460 -0.019 0.000 0.341 363 C C -1.254 173.747 174.990 0.018 0.000 1.418 363 C CA -0.762 58.275 59.018 0.032 0.000 1.240 363 C CB 1.307 29.104 27.740 0.095 0.000 1.562 363 C HN 0.906 nan 8.230 nan 0.000 0.457 364 V N 1.101 121.051 119.914 0.061 0.000 2.459 364 V HA 0.814 4.922 4.120 -0.019 0.000 0.295 364 V C -0.550 175.575 176.094 0.051 0.000 1.029 364 V CA -0.313 62.014 62.300 0.045 0.000 0.874 364 V CB 1.392 33.248 31.823 0.055 0.000 0.985 364 V HN 0.896 nan 8.190 nan 0.000 0.438 365 V N 3.044 122.956 119.914 -0.003 0.000 2.610 365 V HA 0.250 4.359 4.120 -0.019 0.000 0.288 365 V C -0.752 175.290 176.094 -0.087 0.000 1.055 365 V CA -0.707 61.530 62.300 -0.104 0.000 0.902 365 V CB 1.812 33.386 31.823 -0.415 0.000 1.030 365 V HN 0.869 nan 8.190 nan 0.000 0.448 366 D N 5.108 125.489 120.400 -0.032 0.000 2.821 366 D HA 0.073 4.702 4.640 -0.019 0.000 0.224 366 D C 1.646 177.936 176.300 -0.016 0.000 1.071 366 D CA 0.360 54.358 54.000 -0.004 0.000 1.182 366 D CB 0.017 40.830 40.800 0.022 0.000 1.161 366 D HN 0.474 nan 8.370 nan 0.000 0.449 367 L N 0.979 122.175 121.223 -0.045 0.000 2.179 367 L HA -0.316 4.013 4.340 -0.019 0.000 0.246 367 L C 2.122 178.999 176.870 0.013 0.000 1.120 367 L CA 1.933 56.747 54.840 -0.044 0.000 0.846 367 L CB -0.776 41.307 42.059 0.040 0.000 0.958 367 L HN 0.352 nan 8.230 nan 0.000 0.444 368 E N 1.837 122.069 120.200 0.054 0.000 2.385 368 E HA -0.152 4.186 4.350 -0.019 0.000 0.201 368 E C 0.278 176.914 176.600 0.061 0.000 1.250 368 E CA 0.042 56.488 56.400 0.077 0.000 1.104 368 E CB -0.829 28.919 29.700 0.081 0.000 1.174 368 E HN 0.403 nan 8.360 nan 0.000 0.461 369 R N 0.635 121.167 120.500 0.053 0.000 3.038 369 R HA -0.265 4.064 4.340 -0.019 0.000 0.242 369 R C 0.183 176.507 176.300 0.039 0.000 0.866 369 R CA 0.938 57.068 56.100 0.050 0.000 0.601 369 R CB -0.959 29.376 30.300 0.058 0.000 1.107 369 R HN 0.498 nan 8.270 nan 0.000 0.492 370 Q N -1.286 118.534 119.800 0.033 0.000 2.462 370 Q HA 0.151 4.480 4.340 -0.019 0.000 0.224 370 Q C 1.432 177.442 176.000 0.018 0.000 0.911 370 Q CA 0.813 56.631 55.803 0.024 0.000 0.925 370 Q CB 0.885 29.637 28.738 0.023 0.000 1.063 370 Q HN 0.773 nan 8.270 nan 0.000 0.572 371 G N 0.983 109.794 108.800 0.019 0.000 2.336 371 G HA2 -0.194 3.755 3.960 -0.019 0.000 0.194 371 G HA3 -0.194 3.755 3.960 -0.019 0.000 0.194 371 G C -0.318 174.590 174.900 0.013 0.000 0.999 371 G CA 0.009 45.118 45.100 0.015 0.000 0.669 371 G HN 0.305 nan 8.290 nan 0.000 0.482 372 Q N 1.195 121.002 119.800 0.013 0.000 2.278 372 Q HA 0.649 4.978 4.340 -0.019 0.000 0.257 372 Q C 0.503 176.513 176.000 0.017 0.000 0.928 372 Q CA -0.211 55.599 55.803 0.012 0.000 0.932 372 Q CB 1.395 30.137 28.738 0.007 0.000 1.221 372 Q HN 0.699 nan 8.270 nan 0.000 0.434 373 G N 2.733 111.545 108.800 0.019 0.000 2.441 373 G HA2 0.282 4.230 3.960 -0.019 0.000 0.243 373 G HA3 0.282 4.230 3.960 -0.019 0.000 0.243 373 G C -0.577 174.332 174.900 0.014 0.000 1.281 373 G CA -0.546 44.565 45.100 0.019 0.000 0.854 373 G HN 0.562 nan 8.290 nan 0.000 0.560 374 Q N -0.331 119.476 119.800 0.011 0.000 2.301 374 Q HA 0.511 4.840 4.340 -0.019 0.000 0.267 374 Q C -1.068 174.927 176.000 -0.009 0.000 1.035 374 Q CA -0.848 54.959 55.803 0.008 0.000 0.856 374 Q CB 2.797 31.551 28.738 0.027 0.000 1.337 374 Q HN 0.415 nan 8.270 nan 0.000 0.450 375 L N 0.966 122.169 121.223 -0.032 0.000 2.346 375 L HA 0.539 4.868 4.340 -0.019 0.000 0.274 375 L C -1.420 175.389 176.870 -0.102 0.000 1.007 375 L CA -0.658 54.150 54.840 -0.054 0.000 0.818 375 L CB 2.019 44.047 42.059 -0.052 0.000 1.284 375 L HN 0.338 nan 8.230 nan 0.000 0.424 376 V N 3.053 122.884 119.914 -0.138 0.000 2.444 376 V HA 0.596 4.705 4.120 -0.019 0.000 0.294 376 V C -0.154 175.811 176.094 -0.215 0.000 1.022 376 V CA -0.300 61.860 62.300 -0.234 0.000 0.850 376 V CB 1.788 33.371 31.823 -0.400 0.000 0.992 376 V HN 0.890 nan 8.190 nan 0.000 0.426 377 T N 1.021 115.452 114.554 -0.204 0.000 2.856 377 T HA 0.449 4.788 4.350 -0.019 0.000 0.283 377 T C -0.275 174.322 174.700 -0.170 0.000 1.008 377 T CA -0.614 61.389 62.100 -0.161 0.000 0.997 377 T CB 1.280 70.068 68.868 -0.134 0.000 0.992 377 T HN 0.562 nan 8.240 nan 0.000 0.454 378 C N 3.585 122.802 119.300 -0.138 0.000 2.464 378 C HA 0.654 5.102 4.460 -0.019 0.000 0.370 378 C C 0.853 175.765 174.990 -0.130 0.000 1.267 378 C CA -0.373 58.565 59.018 -0.135 0.000 1.781 378 C CB -1.360 26.314 27.740 -0.110 0.000 2.431 378 C HN 0.951 nan 8.230 nan 0.000 0.556 379 S N 1.591 117.204 115.700 -0.144 0.000 2.607 379 S HA 0.923 5.381 4.470 -0.019 0.000 0.303 379 S C 0.349 174.859 174.600 -0.150 0.000 1.086 379 S CA 0.498 58.615 58.200 -0.137 0.000 0.995 379 S CB 1.744 64.864 63.200 -0.133 0.000 1.084 379 S HN 1.514 nan 8.310 nan 0.000 0.507 380 G N 0.539 109.254 108.800 -0.142 0.000 2.725 380 G HA2 0.382 4.331 3.960 -0.019 0.000 0.220 380 G HA3 0.382 4.331 3.960 -0.019 0.000 0.220 380 G C -0.514 174.254 174.900 -0.221 0.000 1.357 380 G CA -0.244 44.766 45.100 -0.150 0.000 0.866 380 G HN 1.580 nan 8.290 nan 0.000 0.548 381 A N -1.635 121.029 122.820 -0.260 0.000 2.606 381 A HA 1.042 5.350 4.320 -0.019 0.000 0.293 381 A C 0.299 177.657 177.584 -0.377 0.000 1.082 381 A CA 0.440 52.144 52.037 -0.555 0.000 0.685 381 A CB 0.379 18.833 19.000 -0.910 0.000 1.284 381 A HN 2.346 nan 8.150 nan 0.000 0.408 382 F N 0.037 119.961 119.950 -0.045 0.000 1.402 382 F HA -0.419 4.097 4.527 -0.019 0.000 0.075 382 F C 2.355 178.145 175.800 -0.016 0.000 0.149 382 F CA 1.609 59.593 58.000 -0.025 0.000 0.312 382 F CB -0.592 38.398 39.000 -0.016 0.000 0.822 382 F HN 0.838 nan 8.300 nan 0.000 0.661 383 K N 0.933 121.484 120.400 0.250 0.000 2.211 383 K HA -0.199 4.109 4.320 -0.019 0.000 0.204 383 K C 1.023 177.669 176.600 0.076 0.000 1.047 383 K CA 2.129 58.516 56.287 0.167 0.000 0.935 383 K CB -0.428 32.169 32.500 0.160 0.000 0.728 383 K HN 0.618 nan 8.250 nan 0.000 0.452 384 E N 1.305 121.531 120.200 0.044 0.000 2.511 384 E HA 0.018 4.356 4.350 -0.019 0.000 0.196 384 E C 0.917 177.445 176.600 -0.119 0.000 1.066 384 E CA 0.535 56.909 56.400 -0.043 0.000 0.871 384 E CB -0.258 29.430 29.700 -0.020 0.000 0.863 384 E HN 0.469 nan 8.360 nan 0.000 0.520 385 G N 1.449 110.174 108.800 -0.126 0.000 2.554 385 G HA2 0.244 4.192 3.960 -0.019 0.000 0.238 385 G HA3 0.244 4.192 3.960 -0.019 0.000 0.238 385 G C 0.109 174.888 174.900 -0.202 0.000 1.259 385 G CA 0.470 45.471 45.100 -0.165 0.000 0.843 385 G HN 0.216 nan 8.290 nan 0.000 0.582 386 S N 0.175 115.762 115.700 -0.189 0.000 2.636 386 S HA 0.582 5.040 4.470 -0.019 0.000 0.266 386 S C -1.067 173.419 174.600 -0.190 0.000 1.147 386 S CA -1.045 57.032 58.200 -0.205 0.000 0.815 386 S CB 0.817 63.888 63.200 -0.216 0.000 1.119 386 S HN 0.608 nan 8.310 nan 0.000 0.470 387 L N 1.009 122.107 121.223 -0.209 0.000 2.334 387 L HA 0.737 5.066 4.340 -0.019 0.000 0.272 387 L C -0.095 176.613 176.870 -0.270 0.000 1.020 387 L CA -1.010 53.684 54.840 -0.243 0.000 0.812 387 L CB 1.419 43.306 42.059 -0.288 0.000 1.264 387 L HN 0.637 nan 8.230 nan 0.000 0.439 388 R N 2.621 122.959 120.500 -0.270 0.000 2.514 388 R HA 0.510 4.839 4.340 -0.019 0.000 0.296 388 R C -1.451 174.689 176.300 -0.267 0.000 1.012 388 R CA -0.766 55.179 56.100 -0.258 0.000 0.897 388 R CB 2.186 32.368 30.300 -0.198 0.000 1.184 388 R HN 0.393 nan 8.270 nan 0.000 0.440 389 I N 4.118 124.514 120.570 -0.290 0.000 2.336 389 I HA 0.421 4.579 4.170 -0.019 0.000 0.292 389 I C 0.238 176.258 176.117 -0.160 0.000 0.991 389 I CA -0.229 60.932 61.300 -0.231 0.000 1.227 389 I CB 1.129 38.980 38.000 -0.248 0.000 1.366 389 I HN 0.413 nan 8.210 nan 0.000 0.466 390 I N 6.311 126.816 120.570 -0.109 0.000 2.411 390 I HA 0.471 4.629 4.170 -0.019 0.000 0.284 390 I C -0.245 175.852 176.117 -0.033 0.000 1.012 390 I CA -0.619 60.629 61.300 -0.087 0.000 1.119 390 I CB 1.167 39.110 38.000 -0.094 0.000 1.261 390 I HN 0.470 nan 8.210 nan 0.000 0.448 391 R N 5.686 126.186 120.500 -0.000 0.000 2.451 391 R HA 0.336 4.665 4.340 -0.019 0.000 0.307 391 R C -0.844 175.479 176.300 0.037 0.000 0.965 391 R CA -0.619 55.503 56.100 0.037 0.000 0.865 391 R CB 1.620 31.973 30.300 0.090 0.000 1.174 391 R HN 0.701 nan 8.270 nan 0.000 0.455 392 N N 1.516 120.224 118.700 0.015 0.000 2.458 392 N HA 0.217 4.946 4.740 -0.019 0.000 0.258 392 N C -0.315 175.197 175.510 0.003 0.000 1.219 392 N CA 1.436 54.487 53.050 0.003 0.000 0.902 392 N CB 0.494 38.975 38.487 -0.010 0.000 1.076 392 N HN 0.827 nan 8.380 nan 0.000 0.455 393 G N 2.129 110.927 108.800 -0.003 0.000 2.712 393 G HA2 -0.144 3.804 3.960 -0.019 0.000 0.686 393 G HA3 -0.144 3.804 3.960 -0.019 0.000 0.686 393 G C -0.672 174.218 174.900 -0.016 0.000 1.181 393 G CA -0.860 44.231 45.100 -0.016 0.000 0.762 393 G HN 0.592 nan 8.290 nan 0.000 0.641 394 I N 1.932 122.490 120.570 -0.020 0.000 2.337 394 I HA 0.524 4.683 4.170 -0.019 0.000 0.291 394 I C 1.298 177.375 176.117 -0.066 0.000 1.046 394 I CA 0.189 61.476 61.300 -0.023 0.000 1.324 394 I CB 1.137 39.173 38.000 0.060 0.000 1.409 394 I HN 0.751 nan 8.210 nan 0.000 0.494 395 G N 7.214 115.946 108.800 -0.113 0.000 2.434 395 G HA2 0.722 4.671 3.960 -0.019 0.000 0.330 395 G HA3 0.722 4.671 3.960 -0.019 0.000 0.330 395 G C -0.738 173.995 174.900 -0.278 0.000 1.155 395 G CA -0.393 44.608 45.100 -0.166 0.000 0.917 395 G HN 0.532 nan 8.290 nan 0.000 0.493 396 I N -1.214 119.165 120.570 -0.318 0.000 2.865 396 I HA 0.506 4.665 4.170 -0.019 0.000 0.302 396 I C -1.311 174.551 176.117 -0.425 0.000 1.140 396 I CA -1.338 59.702 61.300 -0.434 0.000 1.021 396 I CB 1.868 39.733 38.000 -0.225 0.000 1.233 396 I HN 0.569 nan 8.210 nan 0.000 0.427 397 H N 4.404 123.466 119.070 -0.013 0.000 2.581 397 H HA 0.337 4.882 4.556 -0.019 0.000 0.308 397 H C -0.582 174.796 175.328 0.082 0.000 1.040 397 H CA -0.555 55.526 56.048 0.055 0.000 1.231 397 H CB 0.774 30.605 29.762 0.117 0.000 1.396 397 H HN 0.625 nan 8.280 nan 0.000 0.467 398 E N 3.575 123.888 120.200 0.188 0.000 2.166 398 E HA 0.089 4.428 4.350 -0.019 0.000 0.279 398 E C -0.220 176.562 176.600 0.302 0.000 1.095 398 E CA -0.294 56.199 56.400 0.155 0.000 0.888 398 E CB 0.644 30.389 29.700 0.075 0.000 1.041 398 E HN 0.686 nan 8.360 nan 0.000 0.414 399 H N 2.618 121.759 119.070 0.118 0.000 2.287 399 H HA 0.138 4.683 4.556 -0.019 0.000 0.309 399 H C 0.675 176.116 175.328 0.188 0.000 1.059 399 H CA 0.355 56.521 56.048 0.198 0.000 1.357 399 H CB 0.411 30.406 29.762 0.388 0.000 1.409 399 H HN 0.633 nan 8.280 nan 0.000 0.515 400 A N 0.180 123.156 122.820 0.259 0.000 2.284 400 A HA 0.542 4.851 4.320 -0.019 0.000 0.317 400 A C -0.432 177.189 177.584 0.063 0.000 1.120 400 A CA -0.411 51.709 52.037 0.138 0.000 0.900 400 A CB 1.522 20.565 19.000 0.071 0.000 1.319 400 A HN 0.194 nan 8.150 nan 0.000 0.494 401 S N -0.191 115.534 115.700 0.042 0.000 2.385 401 S HA 0.445 4.904 4.470 -0.019 0.000 0.191 401 S C -1.576 173.034 174.600 0.017 0.000 1.196 401 S CA -0.331 57.883 58.200 0.023 0.000 1.178 401 S CB -0.453 62.765 63.200 0.031 0.000 1.258 401 S HN 0.454 nan 8.310 nan 0.000 0.430 402 I N 3.557 124.130 120.570 0.005 0.000 2.359 402 I HA 0.297 4.456 4.170 -0.019 0.000 0.284 402 I C -0.828 175.298 176.117 0.015 0.000 1.018 402 I CA -0.544 60.764 61.300 0.013 0.000 1.173 402 I CB 1.348 39.354 38.000 0.011 0.000 1.326 402 I HN 0.363 nan 8.210 nan 0.000 0.462 403 D N 8.168 128.581 120.400 0.022 0.000 2.357 403 D HA 0.158 4.787 4.640 -0.019 0.000 0.265 403 D C -0.281 176.044 176.300 0.041 0.000 1.334 403 D CA 0.438 54.452 54.000 0.022 0.000 0.984 403 D CB 0.159 40.974 40.800 0.024 0.000 1.077 403 D HN 0.356 nan 8.370 nan 0.000 0.514 404 L N 3.851 125.092 121.223 0.030 0.000 2.457 404 L HA 0.291 4.620 4.340 -0.019 0.000 0.252 404 L C -2.342 174.517 176.870 -0.019 0.000 1.132 404 L CA -1.987 52.889 54.840 0.060 0.000 0.938 404 L CB 1.424 43.530 42.059 0.079 0.000 1.246 404 L HN 0.008 nan 8.230 nan 0.000 0.476 405 P HA 0.162 nan 4.420 nan 0.000 0.266 405 P C 0.691 177.919 177.300 -0.120 0.000 1.419 405 P CA 0.435 63.518 63.100 -0.029 0.000 1.112 405 P CB 0.901 32.618 31.700 0.028 0.000 1.438 406 G N 2.827 111.427 108.800 -0.333 0.000 4.432 406 G HA2 -0.096 3.853 3.960 -0.019 0.000 0.158 406 G HA3 -0.096 3.853 3.960 -0.019 0.000 0.158 406 G C -0.119 174.412 174.900 -0.616 0.000 1.637 406 G CA -0.529 44.193 45.100 -0.630 0.000 0.900 406 G HN 0.369 nan 8.290 nan 0.000 0.292 407 I N 2.483 122.569 120.570 -0.808 0.000 2.952 407 I HA -0.175 3.984 4.170 -0.019 0.000 0.203 407 I C 0.448 176.445 176.117 -0.202 0.000 0.938 407 I CA 0.823 61.855 61.300 -0.446 0.000 2.583 407 I CB 0.131 38.001 38.000 -0.216 0.000 0.745 407 I HN 0.149 nan 8.210 nan 0.000 0.362 408 K N 5.431 125.660 120.400 -0.285 0.000 2.618 408 K HA 0.463 4.771 4.320 -0.019 0.000 0.207 408 K C 0.422 176.477 176.600 -0.908 0.000 1.058 408 K CA 0.190 56.238 56.287 -0.398 0.000 1.086 408 K CB 1.155 33.571 32.500 -0.139 0.000 0.827 408 K HN 0.925 nan 8.250 nan 0.000 0.481 409 G N 0.842 109.091 108.800 -0.918 0.000 2.359 409 G HA2 0.355 4.304 3.960 -0.019 0.000 0.293 409 G HA3 0.355 4.304 3.960 -0.019 0.000 0.293 409 G C -2.235 172.215 174.900 -0.750 0.000 1.300 409 G CA -0.987 43.477 45.100 -1.061 0.000 0.888 409 G HN 0.094 nan 8.290 nan 0.000 0.541 410 L N -4.665 115.912 121.223 -1.076 0.000 3.546 410 L HA 0.663 4.992 4.340 -0.019 0.000 0.258 410 L C -1.255 175.112 176.870 -0.839 0.000 0.984 410 L CA -1.145 53.279 54.840 -0.693 0.000 1.078 410 L CB 0.275 42.127 42.059 -0.345 0.000 1.801 410 L HN 0.831 nan 8.230 nan 0.000 0.497 411 W N 0.764 121.942 121.300 -0.204 0.000 2.850 411 W HA 0.684 5.333 4.660 -0.019 0.000 0.349 411 W C -2.324 174.075 176.519 -0.200 0.000 1.133 411 W CA -1.625 55.576 57.345 -0.240 0.000 1.117 411 W CB 1.755 31.016 29.460 -0.331 0.000 1.442 411 W HN 0.293 nan 8.180 nan 0.000 0.575 412 P HA 0.188 nan 4.420 nan 0.000 0.280 412 P C -0.999 176.309 177.300 0.014 0.000 1.278 412 P CA 0.026 62.981 63.100 -0.241 0.000 0.787 412 P CB 0.443 31.817 31.700 -0.545 0.000 1.163 413 L N -0.301 121.017 121.223 0.158 0.000 3.138 413 L HA 0.243 4.571 4.340 -0.019 0.000 0.248 413 L C -1.351 175.787 176.870 0.447 0.000 0.954 413 L CA -0.236 54.795 54.840 0.317 0.000 1.147 413 L CB 0.526 42.701 42.059 0.193 0.000 1.648 413 L HN 0.264 nan 8.230 nan 0.000 0.567 414 R N 2.201 122.923 120.500 0.369 0.000 2.198 414 R HA 0.556 4.885 4.340 -0.019 0.000 0.339 414 R C 0.484 176.805 176.300 0.036 0.000 1.020 414 R CA -0.212 55.922 56.100 0.056 0.000 0.864 414 R CB 1.324 31.468 30.300 -0.260 0.000 1.105 414 R HN 0.500 nan 8.270 nan 0.000 0.463 415 S N 2.499 118.217 115.700 0.031 0.000 3.305 415 S HA -0.016 4.443 4.470 -0.019 0.000 0.248 415 S C -0.638 173.954 174.600 -0.014 0.000 1.288 415 S CA -0.024 58.181 58.200 0.008 0.000 1.249 415 S CB -0.830 62.378 63.200 0.014 0.000 1.116 415 S HN 0.684 nan 8.310 nan 0.000 0.465 416 D N -0.124 120.261 120.400 -0.025 0.000 2.706 416 D HA 0.206 4.835 4.640 -0.019 0.000 0.229 416 D C -2.834 173.443 176.300 -0.038 0.000 1.145 416 D CA -0.993 52.987 54.000 -0.032 0.000 0.746 416 D CB 1.099 41.877 40.800 -0.038 0.000 2.093 416 D HN -0.078 nan 8.370 nan 0.000 0.473 417 P HA 0.107 nan 4.420 nan 0.000 0.242 417 P C 0.244 177.527 177.300 -0.029 0.000 1.197 417 P CA 0.722 63.810 63.100 -0.021 0.000 0.765 417 P CB 0.208 31.901 31.700 -0.012 0.000 0.936 418 N N -0.534 118.141 118.700 -0.040 0.000 3.046 418 N HA -0.009 4.720 4.740 -0.019 0.000 0.240 418 N C 0.355 175.829 175.510 -0.060 0.000 1.017 418 N CA -0.103 52.922 53.050 -0.040 0.000 1.126 418 N CB -0.660 37.809 38.487 -0.029 0.000 1.642 418 N HN -0.115 nan 8.380 nan 0.000 0.548 419 R N 1.099 121.556 120.500 -0.071 0.000 2.698 419 R HA 0.137 4.466 4.340 -0.019 0.000 0.266 419 R C 0.090 176.291 176.300 -0.165 0.000 1.026 419 R CA -0.061 55.984 56.100 -0.091 0.000 1.102 419 R CB 0.287 30.540 30.300 -0.079 0.000 0.978 419 R HN 0.207 nan 8.270 nan 0.000 0.436 420 E N 0.880 120.989 120.200 -0.152 0.000 2.338 420 E HA -0.094 4.245 4.350 -0.019 0.000 0.197 420 E C 0.654 176.965 176.600 -0.481 0.000 1.007 420 E CA 1.202 57.470 56.400 -0.220 0.000 0.849 420 E CB -0.238 29.422 29.700 -0.067 0.000 0.774 420 E HN 0.805 nan 8.360 nan 0.000 0.506 421 T N -0.738 113.616 114.554 -0.333 0.000 2.910 421 T HA 0.285 4.623 4.350 -0.019 0.000 0.293 421 T C -0.428 174.042 174.700 -0.383 0.000 1.015 421 T CA -0.579 61.366 62.100 -0.258 0.000 1.094 421 T CB 0.389 69.237 68.868 -0.034 0.000 0.968 421 T HN -0.105 nan 8.240 nan 0.000 0.521 422 Y N 2.119 122.448 120.300 0.049 0.000 2.328 422 Y HA 0.349 4.888 4.550 -0.019 0.000 0.333 422 Y C 0.465 176.394 175.900 0.050 0.000 0.958 422 Y CA -1.617 56.511 58.100 0.047 0.000 1.167 422 Y CB 1.382 39.871 38.460 0.048 0.000 1.151 422 Y HN 0.793 nan 8.280 nan 0.000 0.470 423 D N -0.320 120.173 120.400 0.154 0.000 2.427 423 D HA 0.154 4.783 4.640 -0.019 0.000 0.224 423 D C -0.378 175.984 176.300 0.104 0.000 1.157 423 D CA -0.130 53.940 54.000 0.118 0.000 0.828 423 D CB 0.182 41.027 40.800 0.076 0.000 0.974 423 D HN 0.356 nan 8.370 nan 0.000 0.498 424 T N 0.021 114.650 114.554 0.125 0.000 2.923 424 T HA 0.491 4.830 4.350 -0.019 0.000 0.311 424 T C -1.430 173.328 174.700 0.096 0.000 1.183 424 T CA -0.726 61.432 62.100 0.097 0.000 1.020 424 T CB 2.074 70.995 68.868 0.088 0.000 1.165 424 T HN 0.042 nan 8.240 nan 0.000 0.482 425 L N 3.012 124.277 121.223 0.070 0.000 2.415 425 L HA 0.640 4.968 4.340 -0.019 0.000 0.268 425 L C -1.082 175.838 176.870 0.083 0.000 0.984 425 L CA -0.521 54.351 54.840 0.054 0.000 0.853 425 L CB 1.299 43.354 42.059 -0.007 0.000 1.215 425 L HN 0.523 nan 8.230 nan 0.000 0.419 426 V N 5.888 125.884 119.914 0.138 0.000 2.461 426 V HA 0.359 4.467 4.120 -0.019 0.000 0.275 426 V C -0.202 175.986 176.094 0.158 0.000 1.047 426 V CA -0.424 61.982 62.300 0.177 0.000 0.955 426 V CB 1.220 33.197 31.823 0.255 0.000 0.988 426 V HN 0.633 nan 8.190 nan 0.000 0.471 427 L N 2.990 124.288 121.223 0.124 0.000 2.372 427 L HA 0.666 4.995 4.340 -0.019 0.000 0.273 427 L C 0.076 177.008 176.870 0.105 0.000 0.989 427 L CA -0.188 54.681 54.840 0.048 0.000 0.841 427 L CB 1.528 43.609 42.059 0.036 0.000 1.225 427 L HN 0.398 nan 8.230 nan 0.000 0.414 428 S N 2.301 118.040 115.700 0.064 0.000 2.561 428 S HA 0.386 4.845 4.470 -0.019 0.000 0.294 428 S C -0.487 174.161 174.600 0.080 0.000 1.294 428 S CA 0.400 58.654 58.200 0.091 0.000 1.055 428 S CB 0.019 63.260 63.200 0.068 0.000 0.819 428 S HN 0.516 nan 8.310 nan 0.000 0.503 429 F N 2.719 122.661 119.950 -0.014 0.000 2.675 429 F HA 0.449 4.964 4.527 -0.019 0.000 0.324 429 F C -0.211 175.598 175.800 0.015 0.000 1.106 429 F CA -1.086 56.912 58.000 -0.003 0.000 0.970 429 F CB 1.182 40.182 39.000 0.001 0.000 1.385 429 F HN 0.246 nan 8.300 nan 0.000 0.489 430 V N 3.625 123.749 119.914 0.350 0.000 2.501 430 V HA 0.130 4.239 4.120 -0.019 0.000 0.225 430 V C 1.028 177.267 176.094 0.242 0.000 1.267 430 V CA 1.584 64.045 62.300 0.269 0.000 1.385 430 V CB -1.417 30.567 31.823 0.268 0.000 1.360 430 V HN 1.151 nan 8.190 nan 0.000 0.489 431 G N 2.535 111.433 108.800 0.164 0.000 2.162 431 G HA2 -0.248 3.701 3.960 -0.019 0.000 0.260 431 G HA3 -0.248 3.701 3.960 -0.019 0.000 0.260 431 G C 0.075 175.010 174.900 0.058 0.000 0.976 431 G CA 0.560 45.714 45.100 0.090 0.000 0.655 431 G HN 0.594 nan 8.290 nan 0.000 0.533 432 Q N -1.404 118.460 119.800 0.106 0.000 2.892 432 Q HA 0.755 5.084 4.340 -0.019 0.000 0.307 432 Q C -0.980 175.063 176.000 0.070 0.000 1.039 432 Q CA -0.565 55.257 55.803 0.033 0.000 0.792 432 Q CB 1.996 30.689 28.738 -0.076 0.000 1.504 432 Q HN 0.194 nan 8.270 nan 0.000 0.487 433 T N 1.110 115.676 114.554 0.019 0.000 3.109 433 T HA 0.445 4.783 4.350 -0.019 0.000 0.311 433 T C -1.033 173.680 174.700 0.021 0.000 1.011 433 T CA -0.780 61.357 62.100 0.062 0.000 1.026 433 T CB 1.116 70.013 68.868 0.048 0.000 1.047 433 T HN 0.241 nan 8.240 nan 0.000 0.448 434 R N 1.608 122.136 120.500 0.047 0.000 2.720 434 R HA 0.830 5.158 4.340 -0.019 0.000 0.272 434 R C -0.755 175.594 176.300 0.081 0.000 0.991 434 R CA -0.725 55.387 56.100 0.020 0.000 1.010 434 R CB 2.089 32.365 30.300 -0.041 0.000 1.141 434 R HN 0.417 nan 8.270 nan 0.000 0.494 435 V N 2.495 122.449 119.914 0.067 0.000 2.715 435 V HA 0.505 4.613 4.120 -0.019 0.000 0.310 435 V C -0.024 176.107 176.094 0.062 0.000 1.054 435 V CA -0.845 61.506 62.300 0.086 0.000 0.928 435 V CB 2.128 34.003 31.823 0.086 0.000 1.007 435 V HN 0.530 nan 8.190 nan 0.000 0.437 436 L N 4.209 125.471 121.223 0.064 0.000 2.470 436 L HA 0.414 4.743 4.340 -0.019 0.000 0.253 436 L C -0.269 176.630 176.870 0.049 0.000 1.163 436 L CA -0.131 54.739 54.840 0.049 0.000 0.932 436 L CB 1.112 43.195 42.059 0.040 0.000 1.213 436 L HN 0.541 nan 8.230 nan 0.000 0.485 437 M N 2.887 122.513 119.600 0.043 0.000 2.239 437 M HA 0.239 4.708 4.480 -0.019 0.000 0.348 437 M C -0.436 175.893 176.300 0.048 0.000 1.239 437 M CA 0.314 55.639 55.300 0.042 0.000 1.114 437 M CB 0.929 33.546 32.600 0.028 0.000 1.641 437 M HN 0.344 nan 8.290 nan 0.000 0.453 438 L N 3.173 124.432 121.223 0.059 0.000 2.341 438 L HA 0.310 4.639 4.340 -0.019 0.000 0.278 438 L C 0.734 177.644 176.870 0.065 0.000 1.005 438 L CA -0.216 54.667 54.840 0.072 0.000 0.818 438 L CB 1.345 43.465 42.059 0.101 0.000 1.259 438 L HN 0.649 nan 8.230 nan 0.000 0.418 439 N N 2.218 120.955 118.700 0.061 0.000 2.523 439 N HA 0.099 4.828 4.740 -0.019 0.000 0.208 439 N C 0.950 176.495 175.510 0.058 0.000 1.313 439 N CA 0.709 53.789 53.050 0.049 0.000 0.853 439 N CB 0.196 38.707 38.487 0.040 0.000 1.090 439 N HN 0.925 nan 8.380 nan 0.000 0.463 440 G N 1.677 110.526 108.800 0.081 0.000 4.492 440 G HA2 -0.346 3.603 3.960 -0.019 0.000 0.265 440 G HA3 -0.346 3.603 3.960 -0.019 0.000 0.265 440 G C 0.619 175.614 174.900 0.159 0.000 1.702 440 G CA 0.223 45.379 45.100 0.093 0.000 1.266 440 G HN 0.509 nan 8.290 nan 0.000 0.643 441 E N 1.382 121.650 120.200 0.114 0.000 2.481 441 E HA 0.464 4.802 4.350 -0.019 0.000 0.198 441 E C 0.705 177.448 176.600 0.238 0.000 1.027 441 E CA 0.553 57.049 56.400 0.160 0.000 0.900 441 E CB 0.543 30.166 29.700 -0.128 0.000 0.993 441 E HN 0.568 nan 8.360 nan 0.000 0.482 442 E N 1.219 121.510 120.200 0.151 0.000 2.197 442 E HA 0.266 4.604 4.350 -0.019 0.000 0.281 442 E C -0.891 175.772 176.600 0.105 0.000 0.995 442 E CA -0.779 55.689 56.400 0.113 0.000 0.808 442 E CB 1.547 31.287 29.700 0.067 0.000 1.093 442 E HN -0.006 nan 8.360 nan 0.000 0.394 443 V N 4.518 124.484 119.914 0.088 0.000 2.461 443 V HA 0.259 4.368 4.120 -0.019 0.000 0.275 443 V C 0.106 176.227 176.094 0.046 0.000 1.047 443 V CA 0.129 62.465 62.300 0.059 0.000 0.955 443 V CB 1.060 32.911 31.823 0.047 0.000 0.988 443 V HN 0.681 nan 8.190 nan 0.000 0.471 444 E N 3.932 124.156 120.200 0.040 0.000 2.343 444 E HA 0.351 4.690 4.350 -0.019 0.000 0.286 444 E C -1.243 175.375 176.600 0.029 0.000 0.915 444 E CA -0.629 55.790 56.400 0.032 0.000 0.784 444 E CB 1.993 31.712 29.700 0.033 0.000 1.251 444 E HN 0.917 nan 8.360 nan 0.000 0.407 445 E N 2.696 122.909 120.200 0.023 0.000 2.129 445 E HA 0.488 4.827 4.350 -0.019 0.000 0.268 445 E C -0.336 176.272 176.600 0.014 0.000 0.900 445 E CA -0.609 55.803 56.400 0.021 0.000 0.755 445 E CB 1.745 31.455 29.700 0.016 0.000 1.117 445 E HN 0.471 nan 8.360 nan 0.000 0.410 446 T N 0.433 114.997 114.554 0.017 0.000 2.598 446 T HA 0.475 4.814 4.350 -0.019 0.000 0.254 446 T C -0.063 174.646 174.700 0.014 0.000 0.889 446 T CA -0.816 61.291 62.100 0.011 0.000 1.091 446 T CB 0.658 69.532 68.868 0.009 0.000 1.437 446 T HN 0.599 nan 8.240 nan 0.000 0.542 447 E N -0.354 119.852 120.200 0.010 0.000 2.284 447 E HA 0.797 5.136 4.350 -0.019 0.000 0.255 447 E C -1.265 175.338 176.600 0.004 0.000 1.052 447 E CA -1.056 55.352 56.400 0.013 0.000 0.904 447 E CB 1.121 30.826 29.700 0.008 0.000 1.217 447 E HN 0.493 nan 8.360 nan 0.000 0.438 448 L N -0.014 121.213 121.223 0.006 0.000 2.710 448 L HA 0.281 4.609 4.340 -0.019 0.000 0.260 448 L C -1.320 175.527 176.870 -0.038 0.000 0.993 448 L CA -0.771 54.036 54.840 -0.055 0.000 0.877 448 L CB 2.317 44.293 42.059 -0.138 0.000 1.461 448 L HN 0.623 nan 8.230 nan 0.000 0.413 449 M N 1.525 121.065 119.600 -0.100 0.000 2.248 449 M HA 0.261 4.730 4.480 -0.019 0.000 0.337 449 M C 1.407 177.724 176.300 0.029 0.000 1.121 449 M CA 0.578 55.853 55.300 -0.041 0.000 1.155 449 M CB -0.385 32.178 32.600 -0.061 0.000 1.514 449 M HN 0.854 nan 8.290 nan 0.000 0.452 450 G N 2.060 110.934 108.800 0.123 0.000 2.309 450 G HA2 -0.266 3.683 3.960 -0.019 0.000 0.286 450 G HA3 -0.266 3.683 3.960 -0.019 0.000 0.286 450 G C -0.507 174.694 174.900 0.502 0.000 1.002 450 G CA 0.261 45.504 45.100 0.239 0.000 0.786 450 G HN 0.553 nan 8.290 nan 0.000 0.511 451 F N -0.072 119.885 119.950 0.011 0.000 2.553 451 F HA 0.469 4.985 4.527 -0.019 0.000 0.335 451 F C 0.481 176.284 175.800 0.005 0.000 1.148 451 F CA -1.771 56.235 58.000 0.011 0.000 0.963 451 F CB 1.722 40.733 39.000 0.017 0.000 1.217 451 F HN 0.157 nan 8.300 nan 0.000 0.441 452 V N 1.053 121.018 119.914 0.085 0.000 2.686 452 V HA 0.221 4.330 4.120 -0.019 0.000 0.295 452 V C 0.533 176.646 176.094 0.033 0.000 1.055 452 V CA -0.319 62.006 62.300 0.042 0.000 1.050 452 V CB 1.005 32.826 31.823 -0.003 0.000 0.984 452 V HN 0.777 nan 8.190 nan 0.000 0.482 453 D N 1.208 121.622 120.400 0.023 0.000 2.388 453 D HA -0.067 4.562 4.640 -0.019 0.000 0.208 453 D C 0.974 177.260 176.300 -0.023 0.000 1.035 453 D CA 0.623 54.625 54.000 0.003 0.000 0.875 453 D CB 0.003 40.805 40.800 0.003 0.000 0.984 453 D HN 0.684 nan 8.370 nan 0.000 0.508 454 D N -0.067 120.322 120.400 -0.020 0.000 2.463 454 D HA 0.018 4.647 4.640 -0.019 0.000 0.224 454 D C -0.227 176.056 176.300 -0.028 0.000 1.174 454 D CA -0.193 53.791 54.000 -0.026 0.000 0.829 454 D CB 0.027 40.815 40.800 -0.019 0.000 0.993 454 D HN 0.147 nan 8.370 nan 0.000 0.497 455 Q N 1.010 120.788 119.800 -0.037 0.000 2.285 455 Q HA 0.145 4.473 4.340 -0.019 0.000 0.269 455 Q C -0.858 175.088 176.000 -0.090 0.000 1.030 455 Q CA -0.551 55.214 55.803 -0.063 0.000 0.788 455 Q CB 2.927 31.625 28.738 -0.067 0.000 1.266 455 Q HN 0.305 nan 8.270 nan 0.000 0.438 456 Q N 1.246 120.971 119.800 -0.125 0.000 2.304 456 Q HA 0.045 4.374 4.340 -0.019 0.000 0.301 456 Q C -0.920 174.905 176.000 -0.292 0.000 1.063 456 Q CA 0.860 56.561 55.803 -0.169 0.000 0.947 456 Q CB 0.606 29.212 28.738 -0.221 0.000 1.201 456 Q HN 0.374 nan 8.270 nan 0.000 0.389 457 T N 5.871 120.341 114.554 -0.141 0.000 2.756 457 T HA 0.285 4.623 4.350 -0.019 0.000 0.290 457 T C -0.295 174.487 174.700 0.136 0.000 0.985 457 T CA -0.484 61.566 62.100 -0.082 0.000 0.955 457 T CB 0.333 69.200 68.868 -0.001 0.000 0.930 457 T HN 0.469 nan 8.240 nan 0.000 0.451 458 F N 2.247 122.284 119.950 0.145 0.000 2.797 458 F HA 0.516 5.032 4.527 -0.018 0.000 0.302 458 F C 0.223 176.224 175.800 0.335 0.000 1.130 458 F CA -0.891 57.262 58.000 0.255 0.000 1.387 458 F CB -0.434 38.663 39.000 0.161 0.000 1.107 458 F HN 0.481 nan 8.300 nan 0.000 0.577 459 F N -2.953 116.842 119.950 -0.258 0.000 2.829 459 F HA 0.324 4.839 4.527 -0.019 0.000 0.319 459 F C -0.278 174.703 175.800 -1.365 0.000 1.153 459 F CA -1.284 55.852 58.000 -1.439 0.000 0.912 459 F CB 0.711 39.305 39.000 -0.677 0.000 1.292 459 F HN -0.328 nan 8.300 nan 0.000 0.447 460 C N 1.608 119.837 119.300 -1.784 0.000 4.183 460 C HA 0.441 4.890 4.460 -0.019 0.000 0.332 460 C C 1.245 175.979 174.990 -0.426 0.000 2.007 460 C CA -0.086 58.498 59.018 -0.723 0.000 1.657 460 C CB -0.460 27.110 27.740 -0.283 0.000 3.022 460 C HN 1.368 nan 8.230 nan 0.000 0.579 461 G N 1.834 110.300 108.800 -0.558 0.000 2.512 461 G HA2 -0.329 3.620 3.960 -0.019 0.000 0.936 461 G HA3 -0.329 3.620 3.960 -0.019 0.000 0.936 461 G C 0.017 174.946 174.900 0.049 0.000 1.344 461 G CA 1.217 46.336 45.100 0.031 0.000 0.883 461 G HN 0.685 nan 8.290 nan 0.000 0.560 462 N N -0.969 117.795 118.700 0.107 0.000 2.820 462 N HA 0.297 5.026 4.740 -0.019 0.000 0.209 462 N C -0.393 175.177 175.510 0.100 0.000 1.406 462 N CA -0.070 53.050 53.050 0.118 0.000 0.916 462 N CB 0.999 39.575 38.487 0.149 0.000 1.532 462 N HN 0.702 nan 8.380 nan 0.000 0.559 463 V N 0.096 120.061 119.914 0.084 0.000 2.540 463 V HA 0.547 4.655 4.120 -0.019 0.000 0.297 463 V C 1.130 177.275 176.094 0.085 0.000 1.024 463 V CA -0.526 61.809 62.300 0.058 0.000 1.105 463 V CB 0.295 32.132 31.823 0.023 0.000 0.938 463 V HN 0.307 nan 8.190 nan 0.000 0.482 464 A N 3.390 126.273 122.820 0.105 0.000 2.364 464 A HA 0.430 4.738 4.320 -0.019 0.000 0.258 464 A C 0.890 178.646 177.584 0.286 0.000 1.131 464 A CA 0.617 52.761 52.037 0.178 0.000 0.800 464 A CB -0.667 18.467 19.000 0.223 0.000 1.086 464 A HN 1.775 nan 8.150 nan 0.000 0.508 465 H N -1.856 117.222 119.070 0.013 0.000 2.976 465 H HA -0.120 4.425 4.556 -0.019 0.000 0.273 465 H C 0.076 175.418 175.328 0.022 0.000 1.259 465 H CA 1.002 57.061 56.048 0.018 0.000 1.122 465 H CB -2.517 27.255 29.762 0.016 0.000 1.298 465 H HN 0.763 nan 8.280 nan 0.000 0.379 466 Q N -0.988 118.867 119.800 0.092 0.000 2.453 466 Q HA -0.251 4.078 4.340 -0.019 0.000 0.330 466 Q C -0.374 175.668 176.000 0.070 0.000 1.417 466 Q CA 1.376 57.215 55.803 0.060 0.000 0.902 466 Q CB -0.767 27.991 28.738 0.034 0.000 1.154 466 Q HN 0.837 nan 8.270 nan 0.000 0.395 467 Q N -0.507 119.343 119.800 0.084 0.000 2.377 467 Q HA 0.721 5.050 4.340 -0.019 0.000 0.279 467 Q C -0.956 175.106 176.000 0.103 0.000 1.049 467 Q CA -1.029 54.825 55.803 0.085 0.000 0.825 467 Q CB 1.666 30.459 28.738 0.091 0.000 1.401 467 Q HN 0.236 nan 8.270 nan 0.000 0.404 468 L N 1.739 123.039 121.223 0.128 0.000 2.307 468 L HA 0.605 4.934 4.340 -0.019 0.000 0.284 468 L C -0.201 176.906 176.870 0.395 0.000 1.023 468 L CA -1.032 53.946 54.840 0.230 0.000 0.810 468 L CB 1.401 43.549 42.059 0.148 0.000 1.231 468 L HN 0.584 nan 8.230 nan 0.000 0.423 469 I N 3.216 123.961 120.570 0.291 0.000 2.437 469 I HA 0.274 4.432 4.170 -0.019 0.000 0.298 469 I C -0.709 175.288 176.117 -0.200 0.000 0.984 469 I CA -0.041 61.316 61.300 0.095 0.000 1.214 469 I CB 1.851 39.864 38.000 0.022 0.000 1.365 469 I HN 0.841 nan 8.210 nan 0.000 0.469 470 Q N 8.232 127.773 119.800 -0.431 0.000 2.891 470 Q HA 0.381 4.710 4.340 -0.019 0.000 0.242 470 Q C -1.176 174.639 176.000 -0.309 0.000 0.959 470 Q CA -0.532 54.877 55.803 -0.658 0.000 0.707 470 Q CB 0.991 28.926 28.738 -1.338 0.000 1.283 470 Q HN 0.611 nan 8.270 nan 0.000 0.480 471 I N 1.867 122.327 120.570 -0.184 0.000 2.618 471 I HA 0.071 4.230 4.170 -0.019 0.000 0.284 471 I C 0.670 176.747 176.117 -0.067 0.000 1.146 471 I CA 0.610 61.863 61.300 -0.078 0.000 1.425 471 I CB 0.962 38.944 38.000 -0.029 0.000 1.383 471 I HN 0.418 nan 8.210 nan 0.000 0.562 472 T N 2.798 117.314 114.554 -0.063 0.000 2.773 472 T HA 0.263 4.602 4.350 -0.019 0.000 0.278 472 T C 1.139 175.748 174.700 -0.151 0.000 1.011 472 T CA -0.323 61.672 62.100 -0.176 0.000 1.014 472 T CB 1.641 70.413 68.868 -0.160 0.000 1.293 472 T HN 0.627 nan 8.240 nan 0.000 0.554 473 S N 0.718 116.214 115.700 -0.340 0.000 2.365 473 S HA -0.110 4.349 4.470 -0.019 0.000 0.221 473 S C 2.140 176.779 174.600 0.065 0.000 1.037 473 S CA 1.674 59.811 58.200 -0.104 0.000 1.060 473 S CB -0.977 62.151 63.200 -0.119 0.000 0.974 473 S HN 0.795 nan 8.310 nan 0.000 0.427 474 A N 1.496 124.327 122.820 0.018 0.000 1.823 474 A HA 0.105 4.414 4.320 -0.019 0.000 0.214 474 A C 1.233 178.877 177.584 0.101 0.000 1.227 474 A CA 1.382 53.453 52.037 0.056 0.000 0.616 474 A CB -0.786 18.227 19.000 0.022 0.000 0.874 474 A HN 0.676 nan 8.150 nan 0.000 0.455 475 S N -1.254 114.491 115.700 0.076 0.000 2.561 475 S HA 0.466 4.925 4.470 -0.019 0.000 0.303 475 S C -0.497 174.161 174.600 0.097 0.000 1.110 475 S CA -0.096 58.181 58.200 0.128 0.000 1.034 475 S CB 1.240 64.493 63.200 0.088 0.000 1.010 475 S HN 1.519 nan 8.310 nan 0.000 0.482 476 V N 4.989 124.985 119.914 0.135 0.000 2.416 476 V HA 0.215 4.324 4.120 -0.019 0.000 0.260 476 V C 0.459 176.592 176.094 0.065 0.000 1.018 476 V CA 0.095 62.421 62.300 0.043 0.000 1.120 476 V CB -1.225 30.564 31.823 -0.056 0.000 1.081 476 V HN 0.893 nan 8.190 nan 0.000 0.474 477 R N 4.455 124.960 120.500 0.009 0.000 2.574 477 R HA 0.751 5.079 4.340 -0.019 0.000 0.266 477 R C -0.899 175.444 176.300 0.071 0.000 1.157 477 R CA -0.779 55.344 56.100 0.039 0.000 1.187 477 R CB 0.689 30.994 30.300 0.009 0.000 1.179 477 R HN 0.655 nan 8.270 nan 0.000 0.600 478 L N -0.086 121.212 121.223 0.124 0.000 2.513 478 L HA 0.434 4.763 4.340 -0.019 0.000 0.261 478 L C -1.590 175.389 176.870 0.182 0.000 0.945 478 L CA -0.500 54.429 54.840 0.149 0.000 0.848 478 L CB 2.462 44.583 42.059 0.102 0.000 1.334 478 L HN 0.318 nan 8.230 nan 0.000 0.407 479 V N 1.958 121.987 119.914 0.193 0.000 3.049 479 V HA 0.727 4.836 4.120 -0.019 0.000 0.309 479 V C -0.321 175.810 176.094 0.062 0.000 1.148 479 V CA -0.591 61.773 62.300 0.106 0.000 0.990 479 V CB 2.271 34.109 31.823 0.026 0.000 1.039 479 V HN 0.783 nan 8.190 nan 0.000 0.430 480 S N 0.360 116.074 115.700 0.024 0.000 2.739 480 S HA 0.445 4.903 4.470 -0.019 0.000 0.306 480 S C 0.277 174.877 174.600 0.001 0.000 1.115 480 S CA -0.596 57.619 58.200 0.025 0.000 0.985 480 S CB 1.880 65.098 63.200 0.030 0.000 1.133 480 S HN 0.772 nan 8.310 nan 0.000 0.541 481 Q N 0.427 120.234 119.800 0.011 0.000 2.349 481 Q HA 0.132 4.461 4.340 -0.019 0.000 0.209 481 Q C 1.247 177.246 176.000 -0.001 0.000 0.920 481 Q CA 0.702 56.506 55.803 0.000 0.000 0.901 481 Q CB 0.040 28.783 28.738 0.008 0.000 1.021 481 Q HN 0.584 nan 8.270 nan 0.000 0.519 482 E N 0.741 120.946 120.200 0.008 0.000 2.021 482 E HA -0.034 4.304 4.350 -0.019 0.000 0.191 482 E C -0.476 176.126 176.600 0.004 0.000 0.971 482 E CA 0.721 57.125 56.400 0.007 0.000 0.825 482 E CB -1.387 28.321 29.700 0.012 0.000 0.788 482 E HN 0.213 nan 8.360 nan 0.000 0.460 483 P HA -0.135 nan 4.420 nan 0.000 0.213 483 P C 0.032 177.331 177.300 -0.002 0.000 1.170 483 P CA 1.357 64.461 63.100 0.008 0.000 0.893 483 P CB 0.020 31.730 31.700 0.017 0.000 0.784 484 K N -1.793 118.602 120.400 -0.007 0.000 3.585 484 K HA -0.065 4.244 4.320 -0.019 0.000 0.275 484 K C -0.403 176.182 176.600 -0.026 0.000 1.026 484 K CA 0.638 56.907 56.287 -0.031 0.000 0.800 484 K CB -1.599 30.875 32.500 -0.043 0.000 1.401 484 K HN 0.303 nan 8.250 nan 0.000 0.453 485 A N 0.523 123.341 122.820 -0.004 0.000 4.616 485 A HA 0.660 4.969 4.320 -0.019 0.000 0.148 485 A C -1.080 176.528 177.584 0.041 0.000 0.866 485 A CA -0.192 51.852 52.037 0.012 0.000 1.392 485 A CB 0.190 19.197 19.000 0.012 0.000 2.279 485 A HN 0.562 nan 8.150 nan 0.000 1.006 486 L N 1.676 122.925 121.223 0.043 0.000 3.064 486 L HA 0.351 4.680 4.340 -0.019 0.000 0.233 486 L C 1.117 178.019 176.870 0.053 0.000 1.333 486 L CA 0.314 55.188 54.840 0.056 0.000 1.140 486 L CB -0.202 41.883 42.059 0.044 0.000 1.519 486 L HN 0.439 nan 8.230 nan 0.000 0.493 487 V N -0.793 119.156 119.914 0.057 0.000 2.277 487 V HA -0.276 3.833 4.120 -0.019 0.000 0.255 487 V C 1.347 177.476 176.094 0.058 0.000 1.074 487 V CA 1.980 64.314 62.300 0.056 0.000 1.058 487 V CB -0.708 31.153 31.823 0.063 0.000 0.656 487 V HN 0.669 nan 8.190 nan 0.000 0.449 488 S N -2.645 113.097 115.700 0.069 0.000 2.672 488 S HA 0.614 5.072 4.470 -0.019 0.000 0.271 488 S C -1.438 173.209 174.600 0.078 0.000 1.171 488 S CA -0.593 57.649 58.200 0.070 0.000 0.817 488 S CB 2.170 65.418 63.200 0.080 0.000 1.150 488 S HN 0.547 nan 8.310 nan 0.000 0.478 489 E N 0.364 120.614 120.200 0.083 0.000 2.683 489 E HA 0.237 4.575 4.350 -0.019 0.000 0.339 489 E C -2.104 174.563 176.600 0.112 0.000 0.921 489 E CA -0.257 56.198 56.400 0.092 0.000 0.786 489 E CB 0.496 30.228 29.700 0.053 0.000 1.363 489 E HN 0.547 nan 8.360 nan 0.000 0.401 490 W N 4.171 125.454 121.300 -0.028 0.000 2.237 490 W HA 0.574 5.223 4.660 -0.018 0.000 0.335 490 W C -0.422 176.064 176.519 -0.055 0.000 1.230 490 W CA 0.148 57.463 57.345 -0.049 0.000 1.253 490 W CB 1.120 30.546 29.460 -0.057 0.000 1.129 490 W HN 0.431 nan 8.180 nan 0.000 0.590 491 K N 2.437 122.595 120.400 -0.403 0.000 2.542 491 K HA 0.105 4.414 4.320 -0.019 0.000 0.259 491 K C -1.013 175.117 176.600 -0.784 0.000 0.932 491 K CA -0.673 55.436 56.287 -0.296 0.000 0.820 491 K CB 1.630 33.994 32.500 -0.226 0.000 1.345 491 K HN 0.344 nan 8.250 nan 0.000 0.432 492 E N 5.281 125.321 120.200 -0.267 0.000 2.299 492 E HA 0.063 4.402 4.350 -0.019 0.000 0.272 492 E C -1.671 174.778 176.600 -0.251 0.000 1.043 492 E CA -1.727 54.547 56.400 -0.211 0.000 0.895 492 E CB 0.751 30.555 29.700 0.173 0.000 1.011 492 E HN 0.375 nan 8.360 nan 0.000 0.432 493 P HA -0.272 nan 4.420 nan 0.000 0.211 493 P C 0.827 178.055 177.300 -0.120 0.000 1.038 493 P CA 1.407 64.371 63.100 -0.226 0.000 0.988 493 P CB 0.110 31.706 31.700 -0.173 0.000 0.758 494 Q N -0.949 118.821 119.800 -0.050 0.000 2.557 494 Q HA 0.177 4.505 4.340 -0.019 0.000 0.217 494 Q C 0.376 176.366 176.000 -0.016 0.000 0.978 494 Q CA 0.812 56.599 55.803 -0.026 0.000 0.950 494 Q CB -0.594 28.149 28.738 0.008 0.000 0.991 494 Q HN 0.391 nan 8.270 nan 0.000 0.533 495 A N 0.887 123.694 122.820 -0.022 0.000 2.620 495 A HA -0.187 4.122 4.320 -0.019 0.000 0.289 495 A C -0.451 177.150 177.584 0.029 0.000 1.424 495 A CA 0.773 52.808 52.037 -0.004 0.000 0.727 495 A CB -1.575 17.418 19.000 -0.012 0.000 1.116 495 A HN 0.231 nan 8.150 nan 0.000 0.404 496 K N 0.715 121.151 120.400 0.061 0.000 2.443 496 K HA 0.358 4.667 4.320 -0.019 0.000 0.252 496 K C -0.258 176.417 176.600 0.126 0.000 0.933 496 K CA -1.020 55.319 56.287 0.087 0.000 0.792 496 K CB 1.050 33.608 32.500 0.097 0.000 1.185 496 K HN 0.587 nan 8.250 nan 0.000 0.425 497 N N 2.500 121.272 118.700 0.121 0.000 2.407 497 N HA -0.008 4.720 4.740 -0.019 0.000 0.250 497 N C 0.029 175.655 175.510 0.193 0.000 1.236 497 N CA 0.516 53.659 53.050 0.157 0.000 0.879 497 N CB 0.432 39.015 38.487 0.161 0.000 1.088 497 N HN 0.397 nan 8.380 nan 0.000 0.450 498 I N 1.169 121.876 120.570 0.229 0.000 2.648 498 I HA -0.125 4.034 4.170 -0.019 0.000 0.284 498 I C 1.799 178.048 176.117 0.221 0.000 1.153 498 I CA 0.118 61.551 61.300 0.221 0.000 1.426 498 I CB 0.621 38.752 38.000 0.219 0.000 1.381 498 I HN 0.586 nan 8.210 nan 0.000 0.571 499 S N 4.482 120.245 115.700 0.105 0.000 2.427 499 S HA 0.153 4.612 4.470 -0.019 0.000 0.224 499 S C 0.516 175.023 174.600 -0.155 0.000 1.047 499 S CA -0.043 58.163 58.200 0.009 0.000 0.953 499 S CB 0.363 63.571 63.200 0.014 0.000 0.824 499 S HN 0.373 nan 8.310 nan 0.000 0.502 500 V N 2.115 121.980 119.914 -0.081 0.000 2.445 500 V HA 0.748 4.857 4.120 -0.019 0.000 0.283 500 V C 0.092 176.146 176.094 -0.066 0.000 1.014 500 V CA -0.722 61.516 62.300 -0.103 0.000 0.852 500 V CB 0.755 32.560 31.823 -0.029 0.000 1.021 500 V HN 0.679 nan 8.190 nan 0.000 0.435 501 A N 4.283 127.065 122.820 -0.064 0.000 2.272 501 A HA 0.971 5.280 4.320 -0.019 0.000 0.275 501 A C 0.280 177.734 177.584 -0.217 0.000 1.096 501 A CA 0.326 52.290 52.037 -0.121 0.000 0.822 501 A CB 0.915 19.883 19.000 -0.053 0.000 1.088 501 A HN 1.736 nan 8.150 nan 0.000 0.495 502 S N -1.810 113.582 115.700 -0.514 0.000 2.714 502 S HA 0.519 4.978 4.470 -0.019 0.000 0.297 502 S C -0.694 173.542 174.600 -0.606 0.000 0.993 502 S CA -0.410 57.486 58.200 -0.507 0.000 0.844 502 S CB 0.011 63.097 63.200 -0.190 0.000 1.043 502 S HN 2.740 nan 8.310 nan 0.000 0.457 503 C N 0.821 119.794 119.300 -0.545 0.000 2.986 503 C HA 0.759 5.208 4.460 -0.019 0.000 0.326 503 C C -0.058 174.863 174.990 -0.114 0.000 1.335 503 C CA -0.086 58.719 59.018 -0.356 0.000 1.223 503 C CB 0.140 27.614 27.740 -0.444 0.000 1.354 503 C HN 1.382 nan 8.230 nan 0.000 0.447 504 N N 0.500 119.162 118.700 -0.063 0.000 2.085 504 N HA 0.438 5.167 4.740 -0.019 0.000 0.129 504 N C 0.459 175.997 175.510 0.046 0.000 1.439 504 N CA 0.903 53.971 53.050 0.031 0.000 1.090 504 N CB -0.083 38.409 38.487 0.008 0.000 1.171 504 N HN 0.739 nan 8.380 nan 0.000 0.332 505 S N -1.900 113.814 115.700 0.025 0.000 2.733 505 S HA 0.408 4.867 4.470 -0.019 0.000 0.247 505 S C 0.158 174.761 174.600 0.006 0.000 1.043 505 S CA -0.329 57.894 58.200 0.037 0.000 1.066 505 S CB 0.072 63.309 63.200 0.062 0.000 1.045 505 S HN 0.489 nan 8.310 nan 0.000 0.586 506 S N 0.144 115.824 115.700 -0.033 0.000 2.761 506 S HA 0.277 4.736 4.470 -0.019 0.000 0.273 506 S C 0.136 174.668 174.600 -0.112 0.000 1.073 506 S CA -0.317 57.840 58.200 -0.071 0.000 1.048 506 S CB 0.812 63.992 63.200 -0.033 0.000 0.955 506 S HN 0.289 nan 8.310 nan 0.000 0.500 507 Q N 1.093 120.820 119.800 -0.121 0.000 2.215 507 Q HA 0.711 5.040 4.340 -0.019 0.000 0.256 507 Q C -1.442 174.408 176.000 -0.249 0.000 0.972 507 Q CA -0.325 55.360 55.803 -0.197 0.000 0.889 507 Q CB 1.735 30.343 28.738 -0.217 0.000 1.281 507 Q HN 0.094 nan 8.270 nan 0.000 0.456 508 V N 2.085 121.793 119.914 -0.343 0.000 2.808 508 V HA 0.630 4.738 4.120 -0.019 0.000 0.308 508 V C -1.327 174.521 176.094 -0.409 0.000 1.099 508 V CA -0.747 61.347 62.300 -0.343 0.000 0.920 508 V CB 2.214 33.880 31.823 -0.262 0.000 1.014 508 V HN 0.556 nan 8.190 nan 0.000 0.425 509 V N 4.743 124.456 119.914 -0.335 0.000 2.711 509 V HA 0.620 4.729 4.120 -0.019 0.000 0.304 509 V C -0.227 175.756 176.094 -0.184 0.000 1.097 509 V CA -0.478 61.687 62.300 -0.225 0.000 0.906 509 V CB 2.142 33.855 31.823 -0.184 0.000 1.015 509 V HN 0.817 nan 8.190 nan 0.000 0.427 510 V N 1.764 121.607 119.914 -0.118 0.000 3.302 510 V HA 1.119 5.228 4.120 -0.019 0.000 0.304 510 V C 0.060 176.159 176.094 0.008 0.000 1.209 510 V CA -0.567 61.688 62.300 -0.075 0.000 1.032 510 V CB 1.765 33.532 31.823 -0.093 0.000 1.219 510 V HN 1.435 nan 8.190 nan 0.000 0.469 511 A N -1.191 121.652 122.820 0.038 0.000 2.604 511 A HA 0.747 5.056 4.320 -0.019 0.000 0.295 511 A C -0.363 177.269 177.584 0.080 0.000 1.067 511 A CA 0.163 52.225 52.037 0.042 0.000 0.683 511 A CB 1.660 20.664 19.000 0.007 0.000 1.281 511 A HN 1.074 nan 8.150 nan 0.000 0.407 512 V N 0.364 120.325 119.914 0.078 0.000 3.523 512 V HA 0.452 4.561 4.120 -0.019 0.000 0.255 512 V C 1.386 177.501 176.094 0.035 0.000 1.226 512 V CA 1.812 64.174 62.300 0.104 0.000 1.092 512 V CB 0.458 32.389 31.823 0.181 0.000 0.817 512 V HN 1.548 nan 8.190 nan 0.000 0.458 513 G N -0.268 108.528 108.800 -0.006 0.000 3.249 513 G HA2 0.089 4.038 3.960 -0.019 0.000 0.124 513 G HA3 0.089 4.038 3.960 -0.019 0.000 0.124 513 G C 0.717 175.591 174.900 -0.043 0.000 1.128 513 G CA -0.036 45.037 45.100 -0.044 0.000 1.461 513 G HN 0.080 nan 8.290 nan 0.000 0.683 514 R N 0.670 121.131 120.500 -0.065 0.000 2.335 514 R HA 0.530 4.858 4.340 -0.019 0.000 0.210 514 R C 0.917 177.126 176.300 -0.153 0.000 0.892 514 R CA 0.461 56.513 56.100 -0.079 0.000 1.048 514 R CB 1.096 31.345 30.300 -0.085 0.000 1.067 514 R HN 0.418 nan 8.270 nan 0.000 0.524 515 A N 1.992 124.720 122.820 -0.154 0.000 2.454 515 A HA 0.327 4.636 4.320 -0.019 0.000 0.260 515 A C -0.230 177.142 177.584 -0.354 0.000 1.106 515 A CA 0.189 52.064 52.037 -0.270 0.000 0.780 515 A CB 0.156 19.077 19.000 -0.132 0.000 1.044 515 A HN 0.178 nan 8.150 nan 0.000 0.498 516 L N 3.266 124.109 121.223 -0.634 0.000 2.372 516 L HA 0.405 4.734 4.340 -0.019 0.000 0.274 516 L C -0.617 175.950 176.870 -0.505 0.000 0.988 516 L CA -0.373 54.178 54.840 -0.482 0.000 0.833 516 L CB 1.089 42.870 42.059 -0.463 0.000 1.236 516 L HN 0.869 nan 8.230 nan 0.000 0.410 517 Y N 2.147 122.482 120.300 0.059 0.000 2.803 517 Y HA 0.429 4.968 4.550 -0.018 0.000 0.427 517 Y C -0.394 175.675 175.900 0.282 0.000 1.339 517 Y CA -0.185 58.026 58.100 0.186 0.000 1.702 517 Y CB 0.786 39.302 38.460 0.092 0.000 1.659 517 Y HN 0.410 nan 8.280 nan 0.000 0.721 518 Y N 0.730 121.178 120.300 0.246 0.000 2.132 518 Y HA 0.351 4.889 4.550 -0.019 0.000 0.315 518 Y C -2.330 173.582 175.900 0.020 0.000 1.344 518 Y CA -1.137 57.033 58.100 0.117 0.000 1.491 518 Y CB -0.031 38.552 38.460 0.205 0.000 1.284 518 Y HN 0.431 nan 8.280 nan 0.000 0.394 519 L N 3.643 125.103 121.223 0.395 0.000 2.283 519 L HA 0.827 5.155 4.340 -0.019 0.000 0.259 519 L C -1.519 175.498 176.870 0.246 0.000 1.027 519 L CA -1.353 53.620 54.840 0.221 0.000 0.828 519 L CB 2.282 44.254 42.059 -0.144 0.000 1.380 519 L HN 0.600 nan 8.230 nan 0.000 0.425 520 Q N 0.763 120.668 119.800 0.175 0.000 2.331 520 Q HA 0.543 4.871 4.340 -0.019 0.000 0.272 520 Q C -0.912 175.079 176.000 -0.014 0.000 1.062 520 Q CA -0.629 55.222 55.803 0.080 0.000 0.806 520 Q CB 2.877 31.713 28.738 0.164 0.000 1.312 520 Q HN 0.489 nan 8.270 nan 0.000 0.431 521 I N 2.041 122.528 120.570 -0.139 0.000 2.330 521 I HA 0.103 4.262 4.170 -0.019 0.000 0.280 521 I C 0.054 176.035 176.117 -0.226 0.000 1.069 521 I CA -0.074 61.152 61.300 -0.122 0.000 1.873 521 I CB -1.222 36.716 38.000 -0.104 0.000 1.476 521 I HN 0.572 nan 8.210 nan 0.000 0.813 522 H N 4.053 123.067 119.070 -0.092 0.000 2.690 522 H HA 0.152 4.697 4.556 -0.019 0.000 0.365 522 H C -1.906 173.389 175.328 -0.055 0.000 1.142 522 H CA -1.413 54.563 56.048 -0.121 0.000 1.417 522 H CB 0.681 30.416 29.762 -0.045 0.000 1.446 522 H HN 0.077 nan 8.280 nan 0.000 0.599 523 P HA -0.157 nan 4.420 nan 0.000 0.241 523 P C -0.173 177.202 177.300 0.125 0.000 1.093 523 P CA 1.050 64.267 63.100 0.195 0.000 0.843 523 P CB -0.300 31.537 31.700 0.229 0.000 0.760 524 Q N -0.533 119.330 119.800 0.105 0.000 2.502 524 Q HA -0.247 4.081 4.340 -0.019 0.000 0.273 524 Q C -0.046 175.998 176.000 0.073 0.000 1.127 524 Q CA 1.202 57.055 55.803 0.084 0.000 0.952 524 Q CB -1.539 27.245 28.738 0.077 0.000 1.333 524 Q HN 0.697 nan 8.270 nan 0.000 0.494 525 E N -1.309 118.935 120.200 0.074 0.000 2.392 525 E HA 0.542 4.881 4.350 -0.019 0.000 0.281 525 E C -1.321 175.333 176.600 0.090 0.000 1.088 525 E CA -0.926 55.522 56.400 0.080 0.000 0.850 525 E CB 0.538 30.284 29.700 0.077 0.000 1.267 525 E HN 0.099 nan 8.360 nan 0.000 0.438 526 L N 1.222 122.512 121.223 0.110 0.000 2.288 526 L HA 0.533 4.861 4.340 -0.019 0.000 0.283 526 L C 0.292 177.271 176.870 0.181 0.000 1.072 526 L CA -0.580 54.341 54.840 0.135 0.000 0.862 526 L CB 0.546 42.708 42.059 0.171 0.000 1.245 526 L HN 0.380 nan 8.230 nan 0.000 0.432 527 R N 2.599 123.198 120.500 0.164 0.000 2.254 527 R HA 0.257 4.585 4.340 -0.019 0.000 0.318 527 R C -0.172 176.228 176.300 0.167 0.000 1.031 527 R CA -0.349 55.845 56.100 0.157 0.000 0.905 527 R CB 1.027 31.400 30.300 0.121 0.000 1.050 527 R HN 0.575 nan 8.270 nan 0.000 0.456 528 Q N 3.256 123.167 119.800 0.185 0.000 2.317 528 Q HA 0.281 4.609 4.340 -0.019 0.000 0.229 528 Q C 0.025 176.075 176.000 0.083 0.000 0.984 528 Q CA -0.221 55.698 55.803 0.192 0.000 0.911 528 Q CB 0.961 29.892 28.738 0.322 0.000 1.217 528 Q HN 0.657 nan 8.270 nan 0.000 0.501 529 I N -1.215 119.386 120.570 0.050 0.000 2.412 529 I HA 0.149 4.308 4.170 -0.019 0.000 0.300 529 I C 0.266 176.426 176.117 0.072 0.000 0.466 529 I CA -0.587 60.673 61.300 -0.066 0.000 3.225 529 I CB -0.004 37.733 38.000 -0.439 0.000 1.540 529 I HN 0.442 nan 8.210 nan 0.000 0.543 530 S N -0.306 115.450 115.700 0.094 0.000 2.626 530 S HA 0.262 4.721 4.470 -0.019 0.000 0.257 530 S C -0.795 174.010 174.600 0.342 0.000 1.288 530 S CA 0.183 58.548 58.200 0.274 0.000 0.980 530 S CB 0.522 64.037 63.200 0.525 0.000 0.975 530 S HN 0.454 nan 8.310 nan 0.000 0.577 531 H N -1.344 117.754 119.070 0.046 0.000 3.064 531 H HA 0.572 5.117 4.556 -0.018 0.000 0.352 531 H C -1.293 173.743 175.328 -0.488 0.000 1.260 531 H CA -0.154 55.764 56.048 -0.216 0.000 1.160 531 H CB 1.613 31.328 29.762 -0.079 0.000 1.879 531 H HN 0.572 nan 8.280 nan 0.000 0.544 532 T N 2.010 115.747 114.554 -1.361 0.000 2.907 532 T HA 0.195 4.534 4.350 -0.019 0.000 0.344 532 T C -1.388 172.760 174.700 -0.919 0.000 1.675 532 T CA -0.852 60.665 62.100 -0.971 0.000 1.076 532 T CB 1.967 70.272 68.868 -0.939 0.000 1.483 532 T HN 0.605 nan 8.240 nan 0.000 0.487 533 E N 1.490 121.386 120.200 -0.505 0.000 2.222 533 E HA 0.679 5.018 4.350 -0.019 0.000 0.267 533 E C -0.959 175.502 176.600 -0.231 0.000 0.963 533 E CA -0.864 55.338 56.400 -0.330 0.000 0.837 533 E CB 0.920 30.503 29.700 -0.195 0.000 1.183 533 E HN 0.375 nan 8.360 nan 0.000 0.403 534 M N 2.215 121.712 119.600 -0.171 0.000 2.530 534 M HA 0.209 4.678 4.480 -0.019 0.000 0.307 534 M C 0.828 177.045 176.300 -0.137 0.000 1.161 534 M CA -0.614 54.613 55.300 -0.121 0.000 0.903 534 M CB 1.618 34.176 32.600 -0.069 0.000 1.711 534 M HN 0.601 nan 8.290 nan 0.000 0.451 535 E N 1.490 121.586 120.200 -0.173 0.000 2.170 535 E HA -0.217 4.122 4.350 -0.019 0.000 0.229 535 E C 0.147 176.409 176.600 -0.563 0.000 1.074 535 E CA 1.918 58.078 56.400 -0.400 0.000 0.930 535 E CB -0.051 29.401 29.700 -0.415 0.000 0.806 535 E HN 0.598 nan 8.360 nan 0.000 0.478 536 H N -0.888 118.186 119.070 0.006 0.000 2.908 536 H HA 0.332 4.877 4.556 -0.019 0.000 0.350 536 H C -0.196 175.152 175.328 0.034 0.000 1.217 536 H CA -0.853 55.212 56.048 0.028 0.000 1.168 536 H CB 0.614 30.425 29.762 0.082 0.000 1.891 536 H HN -0.050 nan 8.280 nan 0.000 0.566 537 E N 1.210 121.508 120.200 0.164 0.000 2.608 537 E HA 0.016 4.355 4.350 -0.019 0.000 0.259 537 E C -0.398 176.348 176.600 0.244 0.000 0.951 537 E CA -0.002 56.419 56.400 0.034 0.000 0.945 537 E CB 0.675 30.128 29.700 -0.412 0.000 0.916 537 E HN 0.136 nan 8.360 nan 0.000 0.477 538 V N 4.137 124.145 119.914 0.157 0.000 2.446 538 V HA -0.003 4.106 4.120 -0.019 0.000 0.276 538 V C 1.033 177.317 176.094 0.316 0.000 1.030 538 V CA 0.660 63.074 62.300 0.189 0.000 1.033 538 V CB 0.747 32.620 31.823 0.084 0.000 0.993 538 V HN 0.850 nan 8.190 nan 0.000 0.477 539 A N 4.845 127.867 122.820 0.338 0.000 1.878 539 A HA 0.141 4.450 4.320 -0.019 0.000 0.213 539 A C 1.017 178.678 177.584 0.128 0.000 1.192 539 A CA 1.258 53.441 52.037 0.245 0.000 0.619 539 A CB -0.048 18.899 19.000 -0.088 0.000 0.837 539 A HN 1.036 nan 8.150 nan 0.000 0.446 540 C N -3.610 115.741 119.300 0.086 0.000 3.312 540 C HA 0.792 5.241 4.460 -0.019 0.000 0.332 540 C C -1.122 173.903 174.990 0.057 0.000 1.340 540 C CA -1.367 57.689 59.018 0.064 0.000 1.265 540 C CB 0.463 28.238 27.740 0.057 0.000 1.563 540 C HN 0.359 nan 8.230 nan 0.000 0.471 541 L N 1.033 122.286 121.223 0.049 0.000 2.424 541 L HA 0.775 5.104 4.340 -0.019 0.000 0.258 541 L C -1.415 175.479 176.870 0.040 0.000 0.995 541 L CA 0.013 54.874 54.840 0.036 0.000 0.821 541 L CB 2.121 44.186 42.059 0.010 0.000 1.383 541 L HN 0.911 nan 8.230 nan 0.000 0.410 542 D N 1.856 122.276 120.400 0.033 0.000 2.936 542 D HA 0.629 5.258 4.640 -0.019 0.000 0.238 542 D C -1.493 174.810 176.300 0.006 0.000 1.248 542 D CA -0.266 53.756 54.000 0.037 0.000 0.903 542 D CB 1.792 42.633 40.800 0.068 0.000 1.544 542 D HN 0.347 nan 8.370 nan 0.000 0.543 543 I N 0.259 120.820 120.570 -0.016 0.000 2.582 543 I HA 0.852 5.011 4.170 -0.019 0.000 0.292 543 I C -1.039 175.067 176.117 -0.017 0.000 1.066 543 I CA -0.420 60.854 61.300 -0.042 0.000 1.053 543 I CB 2.477 40.410 38.000 -0.112 0.000 1.241 543 I HN 0.236 nan 8.210 nan 0.000 0.421 544 T N 3.870 118.419 114.554 -0.008 0.000 3.579 544 T HA 0.392 4.731 4.350 -0.019 0.000 0.360 544 T C -3.079 171.626 174.700 0.009 0.000 1.285 544 T CA -0.806 61.299 62.100 0.009 0.000 1.127 544 T CB 1.647 70.535 68.868 0.032 0.000 1.244 544 T HN 0.550 nan 8.240 nan 0.000 0.476 545 P HA 0.316 nan 4.420 nan 0.000 0.271 545 P C -0.006 177.314 177.300 0.035 0.000 1.233 545 P CA -0.352 62.755 63.100 0.012 0.000 0.764 545 P CB 0.948 32.653 31.700 0.010 0.000 0.825 546 L N 3.148 124.405 121.223 0.056 0.000 2.511 546 L HA 0.242 4.570 4.340 -0.019 0.000 0.184 546 L C 2.562 179.507 176.870 0.125 0.000 1.382 546 L CA 1.048 55.961 54.840 0.122 0.000 3.034 546 L CB -1.163 41.035 42.059 0.232 0.000 2.913 546 L HN 0.387 nan 8.230 nan 0.000 1.071 547 G N -0.404 108.523 108.800 0.212 0.000 2.439 547 G HA2 -0.168 3.781 3.960 -0.019 0.000 0.212 547 G HA3 -0.168 3.781 3.960 -0.019 0.000 0.212 547 G C 0.655 175.606 174.900 0.085 0.000 1.199 547 G CA 0.832 46.021 45.100 0.148 0.000 0.807 547 G HN 0.676 nan 8.290 nan 0.000 0.537 548 D N -0.222 120.219 120.400 0.069 0.000 2.342 548 D HA 0.217 4.846 4.640 -0.019 0.000 0.221 548 D C 0.413 176.729 176.300 0.028 0.000 1.101 548 D CA 0.073 54.098 54.000 0.041 0.000 0.837 548 D CB 0.250 41.067 40.800 0.029 0.000 0.938 548 D HN 0.249 nan 8.370 nan 0.000 0.508 549 S N -0.330 115.388 115.700 0.030 0.000 2.668 549 S HA 0.338 4.796 4.470 -0.019 0.000 0.277 549 S C -1.011 173.605 174.600 0.026 0.000 1.170 549 S CA -1.121 57.093 58.200 0.023 0.000 0.994 549 S CB 0.834 64.042 63.200 0.013 0.000 1.051 549 S HN 0.089 nan 8.310 nan 0.000 0.484 550 N N 2.082 120.799 118.700 0.029 0.000 2.408 550 N HA 0.403 5.132 4.740 -0.019 0.000 0.257 550 N C 1.267 176.794 175.510 0.029 0.000 1.064 550 N CA 0.376 53.444 53.050 0.030 0.000 0.952 550 N CB 1.309 39.816 38.487 0.033 0.000 1.093 550 N HN 1.134 nan 8.380 nan 0.000 0.490 551 G N 1.981 110.794 108.800 0.023 0.000 4.236 551 G HA2 -0.339 3.609 3.960 -0.019 0.000 0.222 551 G HA3 -0.339 3.609 3.960 -0.019 0.000 0.222 551 G C 0.177 175.077 174.900 -0.001 0.000 1.354 551 G CA 0.036 45.144 45.100 0.014 0.000 0.966 551 G HN 0.515 nan 8.290 nan 0.000 0.624 552 L N 2.474 123.705 121.223 0.013 0.000 2.530 552 L HA 0.601 4.929 4.340 -0.019 0.000 0.273 552 L C 0.675 177.547 176.870 0.003 0.000 1.141 552 L CA 0.808 55.659 54.840 0.018 0.000 0.905 552 L CB 1.115 43.201 42.059 0.045 0.000 1.202 552 L HN 0.330 nan 8.230 nan 0.000 0.473 553 S N 6.283 121.970 115.700 -0.023 0.000 2.429 553 S HA 0.538 4.997 4.470 -0.019 0.000 0.302 553 S C -1.933 172.641 174.600 -0.044 0.000 1.115 553 S CA -1.441 56.737 58.200 -0.038 0.000 1.095 553 S CB 0.973 64.134 63.200 -0.065 0.000 0.987 553 S HN 0.474 nan 8.310 nan 0.000 0.474 554 P HA 0.045 nan 4.420 nan 0.000 0.317 554 P C 0.101 177.358 177.300 -0.071 0.000 1.427 554 P CA -0.154 62.914 63.100 -0.052 0.000 0.820 554 P CB 0.026 31.692 31.700 -0.057 0.000 1.894 555 L N -1.997 119.183 121.223 -0.073 0.000 2.456 555 L HA 0.394 4.723 4.340 -0.019 0.000 0.246 555 L C 0.285 177.116 176.870 -0.065 0.000 1.238 555 L CA -0.190 54.605 54.840 -0.075 0.000 0.826 555 L CB -0.538 41.484 42.059 -0.062 0.000 1.150 555 L HN 0.278 nan 8.230 nan 0.000 0.514 556 C N -0.653 118.614 119.300 -0.055 0.000 3.336 556 C HA 0.958 5.407 4.460 -0.019 0.000 0.339 556 C C -0.813 174.173 174.990 -0.005 0.000 1.468 556 C CA 0.181 59.179 59.018 -0.033 0.000 1.287 556 C CB 1.503 29.210 27.740 -0.055 0.000 1.682 556 C HN 1.280 nan 8.230 nan 0.000 0.451 557 A N 1.523 124.350 122.820 0.013 0.000 2.549 557 A HA 0.898 5.207 4.320 -0.019 0.000 0.297 557 A C -1.519 176.087 177.584 0.036 0.000 1.061 557 A CA -0.326 51.728 52.037 0.028 0.000 0.690 557 A CB 1.260 20.288 19.000 0.047 0.000 1.287 557 A HN 1.188 nan 8.150 nan 0.000 0.402 558 I N 0.401 120.993 120.570 0.037 0.000 2.841 558 I HA 0.688 4.847 4.170 -0.019 0.000 0.298 558 I C -0.141 176.000 176.117 0.040 0.000 1.304 558 I CA -0.476 60.850 61.300 0.044 0.000 1.019 558 I CB 2.311 40.341 38.000 0.050 0.000 1.282 558 I HN 0.902 nan 8.210 nan 0.000 0.432 559 G N 6.852 115.680 108.800 0.047 0.000 2.478 559 G HA2 0.593 4.542 3.960 -0.019 0.000 0.317 559 G HA3 0.593 4.542 3.960 -0.019 0.000 0.317 559 G C -0.911 174.022 174.900 0.055 0.000 1.259 559 G CA -0.475 44.643 45.100 0.031 0.000 0.933 559 G HN 0.443 nan 8.290 nan 0.000 0.478 560 L N 0.610 121.862 121.223 0.049 0.000 2.544 560 L HA 0.518 4.847 4.340 -0.019 0.000 0.256 560 L C 0.261 177.189 176.870 0.097 0.000 1.097 560 L CA -0.785 54.131 54.840 0.125 0.000 0.812 560 L CB 1.783 43.926 42.059 0.139 0.000 1.440 560 L HN 0.744 nan 8.230 nan 0.000 0.496 561 W N -1.145 120.137 121.300 -0.031 0.000 2.518 561 W HA 0.170 4.819 4.660 -0.018 0.000 0.352 561 W C 1.129 177.595 176.519 -0.090 0.000 0.952 561 W CA 0.015 57.338 57.345 -0.036 0.000 1.624 561 W CB 0.950 30.418 29.460 0.014 0.000 1.135 561 W HN 0.445 nan 8.180 nan 0.000 0.540 562 T N -1.567 112.978 114.554 -0.015 0.000 3.336 562 T HA -0.093 4.246 4.350 -0.019 0.000 0.273 562 T C 1.155 175.743 174.700 -0.187 0.000 0.932 562 T CA 0.853 62.916 62.100 -0.061 0.000 0.995 562 T CB -0.109 68.706 68.868 -0.089 0.000 1.213 562 T HN 0.035 nan 8.240 nan 0.000 0.502 563 D N 1.767 121.926 120.400 -0.402 0.000 2.349 563 D HA 0.047 4.676 4.640 -0.019 0.000 0.224 563 D C 0.401 176.596 176.300 -0.175 0.000 1.029 563 D CA -0.028 53.802 54.000 -0.282 0.000 0.879 563 D CB -0.782 39.807 40.800 -0.352 0.000 0.906 563 D HN 0.426 nan 8.370 nan 0.000 0.528 564 I N 0.866 121.341 120.570 -0.158 0.000 4.803 564 I HA -0.279 3.879 4.170 -0.019 0.000 0.126 564 I C -0.097 175.946 176.117 -0.123 0.000 1.178 564 I CA 0.931 62.152 61.300 -0.132 0.000 2.663 564 I CB -1.297 36.636 38.000 -0.111 0.000 1.913 564 I HN 0.383 nan 8.210 nan 0.000 0.326 565 S N 3.686 119.324 115.700 -0.104 0.000 2.547 565 S HA 0.968 5.426 4.470 -0.019 0.000 0.270 565 S C -0.819 173.742 174.600 -0.065 0.000 1.150 565 S CA -0.208 57.934 58.200 -0.097 0.000 0.850 565 S CB 2.258 65.405 63.200 -0.088 0.000 1.118 565 S HN 1.366 nan 8.310 nan 0.000 0.461 566 A N 2.368 125.140 122.820 -0.080 0.000 2.435 566 A HA 1.007 5.316 4.320 -0.019 0.000 0.304 566 A C -0.513 177.015 177.584 -0.093 0.000 1.064 566 A CA -1.000 51.005 52.037 -0.053 0.000 0.727 566 A CB 1.363 20.355 19.000 -0.013 0.000 1.284 566 A HN 1.165 nan 8.150 nan 0.000 0.415 567 R N 1.548 122.011 120.500 -0.061 0.000 2.710 567 R HA 0.608 4.937 4.340 -0.019 0.000 0.270 567 R C -1.642 174.635 176.300 -0.038 0.000 1.021 567 R CA -0.743 55.309 56.100 -0.081 0.000 0.889 567 R CB 0.846 31.107 30.300 -0.065 0.000 1.243 567 R HN 0.484 nan 8.270 nan 0.000 0.464 568 I N 2.106 122.652 120.570 -0.040 0.000 2.412 568 I HA 0.540 4.698 4.170 -0.019 0.000 0.296 568 I C -0.259 175.854 176.117 -0.006 0.000 0.987 568 I CA -0.976 60.318 61.300 -0.010 0.000 1.180 568 I CB 0.949 38.953 38.000 0.005 0.000 1.340 568 I HN 0.536 nan 8.210 nan 0.000 0.455 569 L N 4.630 125.849 121.223 -0.008 0.000 2.503 569 L HA 0.573 4.901 4.340 -0.019 0.000 0.248 569 L C -0.028 176.810 176.870 -0.053 0.000 1.126 569 L CA -0.566 54.266 54.840 -0.013 0.000 0.929 569 L CB 1.604 43.675 42.059 0.020 0.000 1.544 569 L HN 0.524 nan 8.230 nan 0.000 0.404 570 K N -0.758 119.588 120.400 -0.090 0.000 2.296 570 K HA 0.505 4.814 4.320 -0.019 0.000 0.243 570 K C 0.036 176.455 176.600 -0.300 0.000 1.082 570 K CA -0.625 55.576 56.287 -0.143 0.000 0.929 570 K CB 1.419 33.860 32.500 -0.099 0.000 1.353 570 K HN 0.380 nan 8.250 nan 0.000 0.536 571 L N 1.362 122.425 121.223 -0.268 0.000 2.035 571 L HA 0.178 4.507 4.340 -0.019 0.000 0.207 571 L C -1.485 175.112 176.870 -0.455 0.000 1.173 571 L CA 0.785 55.446 54.840 -0.298 0.000 0.852 571 L CB -0.866 41.144 42.059 -0.082 0.000 0.946 571 L HN 0.536 nan 8.230 nan 0.000 0.483 572 P HA 0.010 nan 4.420 nan 0.000 0.231 572 P C 1.435 178.738 177.300 0.006 0.000 1.168 572 P CA 1.254 64.300 63.100 -0.089 0.000 0.779 572 P CB -0.057 31.617 31.700 -0.043 0.000 0.844 573 S N -0.691 114.959 115.700 -0.083 0.000 2.341 573 S HA -0.042 4.417 4.470 -0.019 0.000 0.216 573 S C 0.670 175.438 174.600 0.280 0.000 1.034 573 S CA 0.356 58.608 58.200 0.087 0.000 0.964 573 S CB -1.342 61.869 63.200 0.017 0.000 0.882 573 S HN 0.073 nan 8.310 nan 0.000 0.469 574 F N 2.077 122.030 119.950 0.004 0.000 2.852 574 F HA -0.117 4.398 4.527 -0.019 0.000 0.289 574 F C -0.066 175.722 175.800 -0.020 0.000 0.780 574 F CA 0.457 58.450 58.000 -0.013 0.000 1.431 574 F CB -2.379 36.601 39.000 -0.033 0.000 1.567 574 F HN 0.435 nan 8.300 nan 0.000 0.437 575 E N 2.088 122.338 120.200 0.084 0.000 2.259 575 E HA 0.324 4.662 4.350 -0.019 0.000 0.281 575 E C 0.122 176.741 176.600 0.032 0.000 1.037 575 E CA -0.748 55.682 56.400 0.051 0.000 0.854 575 E CB 2.122 31.837 29.700 0.026 0.000 1.051 575 E HN 0.360 nan 8.360 nan 0.000 0.409 576 L N 4.949 126.189 121.223 0.028 0.000 2.360 576 L HA 0.145 4.474 4.340 -0.019 0.000 0.276 576 L C -0.696 176.175 176.870 0.002 0.000 1.121 576 L CA 0.052 54.899 54.840 0.012 0.000 0.845 576 L CB 0.325 42.386 42.059 0.004 0.000 1.143 576 L HN 0.654 nan 8.230 nan 0.000 0.452 577 L N 4.078 125.301 121.223 -0.001 0.000 2.793 577 L HA 0.359 4.688 4.340 -0.019 0.000 0.188 577 L C 0.293 177.174 176.870 0.018 0.000 1.949 577 L CA -0.386 54.462 54.840 0.014 0.000 2.556 577 L CB -0.442 41.630 42.059 0.023 0.000 2.898 577 L HN 0.682 nan 8.230 nan 0.000 0.621 578 H N 0.190 119.231 119.070 -0.048 0.000 2.730 578 H HA 0.392 4.937 4.556 -0.018 0.000 0.376 578 H C -0.639 174.641 175.328 -0.081 0.000 1.299 578 H CA -0.002 56.007 56.048 -0.066 0.000 1.447 578 H CB 0.534 30.249 29.762 -0.078 0.000 1.493 578 H HN 0.458 nan 8.280 nan 0.000 0.619 579 K N 0.570 120.234 120.400 -1.227 0.000 2.499 579 K HA 0.518 4.826 4.320 -0.019 0.000 0.284 579 K C -1.466 174.638 176.600 -0.827 0.000 1.039 579 K CA -1.205 54.611 56.287 -0.786 0.000 0.873 579 K CB 1.360 33.644 32.500 -0.360 0.000 1.545 579 K HN 0.468 nan 8.250 nan 0.000 0.402 580 E N 0.372 120.311 120.200 -0.434 0.000 2.293 580 E HA 0.409 4.748 4.350 -0.019 0.000 0.270 580 E C -1.692 174.772 176.600 -0.227 0.000 0.879 580 E CA -0.673 55.537 56.400 -0.316 0.000 0.756 580 E CB 2.024 31.522 29.700 -0.338 0.000 1.208 580 E HN 0.618 nan 8.360 nan 0.000 0.428 581 M N 5.428 124.916 119.600 -0.186 0.000 3.234 581 M HA 0.378 4.846 4.480 -0.019 0.000 0.211 581 M C -1.311 174.887 176.300 -0.170 0.000 1.149 581 M CA -0.378 54.831 55.300 -0.152 0.000 1.050 581 M CB -0.222 32.312 32.600 -0.110 0.000 1.281 581 M HN 0.502 nan 8.290 nan 0.000 0.574 582 L N -0.176 120.901 121.223 -0.243 0.000 2.517 582 L HA 0.284 4.613 4.340 -0.019 0.000 0.294 582 L C 1.139 177.899 176.870 -0.183 0.000 1.264 582 L CA 0.050 54.685 54.840 -0.341 0.000 0.839 582 L CB -0.593 41.151 42.059 -0.525 0.000 1.098 582 L HN 0.509 nan 8.230 nan 0.000 0.525 583 G N -0.602 108.123 108.800 -0.125 0.000 2.543 583 G HA2 0.591 4.540 3.960 -0.019 0.000 0.267 583 G HA3 0.591 4.540 3.960 -0.019 0.000 0.267 583 G C 0.191 175.086 174.900 -0.009 0.000 1.406 583 G CA -0.347 44.730 45.100 -0.038 0.000 1.048 583 G HN 1.167 nan 8.290 nan 0.000 0.548 584 G N -1.377 107.428 108.800 0.009 0.000 2.804 584 G HA2 -0.127 3.822 3.960 -0.019 0.000 0.230 584 G HA3 -0.127 3.822 3.960 -0.019 0.000 0.230 584 G C 0.300 175.193 174.900 -0.011 0.000 1.386 584 G CA 0.384 45.491 45.100 0.012 0.000 0.875 584 G HN 0.675 nan 8.290 nan 0.000 0.557 585 E N -0.791 119.403 120.200 -0.010 0.000 2.562 585 E HA 0.218 4.557 4.350 -0.019 0.000 0.214 585 E C 0.643 177.216 176.600 -0.045 0.000 0.979 585 E CA -0.155 56.232 56.400 -0.020 0.000 1.002 585 E CB 0.941 30.640 29.700 -0.001 0.000 1.048 585 E HN 0.410 nan 8.360 nan 0.000 0.488 586 I N 3.370 123.911 120.570 -0.048 0.000 2.359 586 I HA 0.289 4.447 4.170 -0.019 0.000 0.294 586 I C 0.845 176.888 176.117 -0.123 0.000 0.987 586 I CA -0.891 60.362 61.300 -0.078 0.000 1.225 586 I CB 1.015 38.995 38.000 -0.034 0.000 1.366 586 I HN -0.020 nan 8.210 nan 0.000 0.466 587 I N 6.050 126.478 120.570 -0.238 0.000 2.834 587 I HA 0.465 4.624 4.170 -0.019 0.000 0.305 587 I C -2.277 173.724 176.117 -0.192 0.000 1.008 587 I CA -2.136 58.977 61.300 -0.311 0.000 1.273 587 I CB 1.004 38.591 38.000 -0.688 0.000 1.432 587 I HN 0.301 nan 8.210 nan 0.000 0.557 588 P HA 0.128 nan 4.420 nan 0.000 0.279 588 P C -0.034 177.229 177.300 -0.062 0.000 1.318 588 P CA -0.248 62.822 63.100 -0.051 0.000 0.819 588 P CB 0.961 32.654 31.700 -0.012 0.000 0.927 589 R N 2.410 122.888 120.500 -0.037 0.000 2.189 589 R HA 0.025 4.354 4.340 -0.019 0.000 0.223 589 R C 0.346 176.663 176.300 0.028 0.000 1.092 589 R CA 1.002 57.092 56.100 -0.015 0.000 0.989 589 R CB -0.185 30.113 30.300 -0.004 0.000 0.876 589 R HN 0.468 nan 8.270 nan 0.000 0.457 590 S N -1.241 114.486 115.700 0.044 0.000 2.651 590 S HA 0.687 5.146 4.470 -0.019 0.000 0.279 590 S C -1.587 173.063 174.600 0.084 0.000 1.148 590 S CA -0.701 57.541 58.200 0.070 0.000 0.837 590 S CB 1.153 64.398 63.200 0.076 0.000 1.138 590 S HN 0.102 nan 8.310 nan 0.000 0.478 591 I N 2.359 122.988 120.570 0.097 0.000 2.414 591 I HA 0.336 4.495 4.170 -0.019 0.000 0.234 591 I C -2.125 174.058 176.117 0.109 0.000 1.388 591 I CA 0.213 61.579 61.300 0.111 0.000 1.372 591 I CB -0.174 37.885 38.000 0.098 0.000 1.770 591 I HN 0.632 nan 8.210 nan 0.000 0.402 592 L N 5.828 127.123 121.223 0.120 0.000 2.286 592 L HA 0.742 5.070 4.340 -0.019 0.000 0.265 592 L C 0.111 177.059 176.870 0.129 0.000 1.012 592 L CA -0.974 53.934 54.840 0.113 0.000 0.818 592 L CB 2.043 44.167 42.059 0.109 0.000 1.337 592 L HN 0.592 nan 8.230 nan 0.000 0.438 593 M N -0.016 119.655 119.600 0.118 0.000 2.724 593 M HA 0.899 5.368 4.480 -0.019 0.000 0.310 593 M C -0.695 175.676 176.300 0.118 0.000 1.217 593 M CA -0.307 55.080 55.300 0.145 0.000 0.894 593 M CB 2.254 34.936 32.600 0.136 0.000 1.719 593 M HN 0.678 nan 8.290 nan 0.000 0.479 594 T N -2.295 112.354 114.554 0.159 0.000 2.654 594 T HA 0.669 5.007 4.350 -0.019 0.000 0.303 594 T C -0.699 174.089 174.700 0.146 0.000 1.656 594 T CA -0.573 61.557 62.100 0.050 0.000 0.971 594 T CB 1.646 70.453 68.868 -0.101 0.000 1.811 594 T HN 0.857 nan 8.240 nan 0.000 0.483 595 T N -0.935 113.540 114.554 -0.132 0.000 2.598 595 T HA 0.812 5.150 4.350 -0.019 0.000 0.289 595 T C -0.876 173.554 174.700 -0.450 0.000 1.056 595 T CA -0.435 61.663 62.100 -0.003 0.000 1.088 595 T CB 1.320 70.019 68.868 -0.281 0.000 1.519 595 T HN 0.678 nan 8.240 nan 0.000 0.488 596 F N -0.429 119.561 119.950 0.067 0.000 1.731 596 F HA 0.223 4.738 4.527 -0.020 0.000 0.250 596 F C 1.291 177.082 175.800 -0.015 0.000 1.219 596 F CA -0.378 57.624 58.000 0.005 0.000 1.314 596 F CB 0.579 39.572 39.000 -0.011 0.000 1.890 596 F HN 0.508 nan 8.300 nan 0.000 0.277 597 E N -0.592 119.722 120.200 0.189 0.000 3.596 597 E HA 0.315 4.654 4.350 -0.019 0.000 0.188 597 E C -0.035 176.634 176.600 0.115 0.000 1.232 597 E CA 0.432 56.903 56.400 0.118 0.000 1.460 597 E CB 0.435 30.207 29.700 0.121 0.000 1.513 597 E HN -0.037 nan 8.360 nan 0.000 0.530 598 S N 0.208 116.034 115.700 0.209 0.000 2.399 598 S HA 0.622 5.081 4.470 -0.019 0.000 0.198 598 S C -0.925 173.862 174.600 0.312 0.000 1.294 598 S CA -0.348 58.024 58.200 0.286 0.000 1.237 598 S CB 0.830 64.231 63.200 0.334 0.000 1.286 598 S HN 0.093 nan 8.310 nan 0.000 0.404 599 S N 1.341 117.061 115.700 0.033 0.000 2.604 599 S HA 0.264 4.722 4.470 -0.019 0.000 0.296 599 S C -1.665 172.649 174.600 -0.477 0.000 1.097 599 S CA -0.595 57.491 58.200 -0.190 0.000 0.883 599 S CB 0.620 63.665 63.200 -0.258 0.000 1.081 599 S HN 0.571 nan 8.310 nan 0.000 0.448 600 H N 2.282 121.173 119.070 -0.298 0.000 2.481 600 H HA 0.474 5.018 4.556 -0.020 0.000 0.339 600 H C -1.129 174.028 175.328 -0.286 0.000 1.131 600 H CA 0.117 56.056 56.048 -0.182 0.000 1.301 600 H CB 0.952 30.684 29.762 -0.050 0.000 1.476 600 H HN 0.543 nan 8.280 nan 0.000 0.529 601 Y N 0.914 121.346 120.300 0.220 0.000 2.477 601 Y HA 0.302 4.840 4.550 -0.020 0.000 0.347 601 Y C -0.365 175.653 175.900 0.196 0.000 0.981 601 Y CA -0.917 57.309 58.100 0.211 0.000 1.033 601 Y CB 2.116 40.706 38.460 0.217 0.000 1.245 601 Y HN 0.400 nan 8.280 nan 0.000 0.455 602 L N 4.600 126.056 121.223 0.388 0.000 2.362 602 L HA 0.870 5.198 4.340 -0.019 0.000 0.275 602 L C -2.089 175.001 176.870 0.366 0.000 0.998 602 L CA -0.687 54.346 54.840 0.321 0.000 0.820 602 L CB 1.151 43.368 42.059 0.264 0.000 1.270 602 L HN 0.570 nan 8.230 nan 0.000 0.415 603 L N 4.714 126.114 121.223 0.296 0.000 2.371 603 L HA 0.701 5.029 4.340 -0.019 0.000 0.262 603 L C -0.888 176.133 176.870 0.253 0.000 1.006 603 L CA -0.567 54.448 54.840 0.292 0.000 0.818 603 L CB 1.756 43.954 42.059 0.232 0.000 1.354 603 L HN 0.679 nan 8.230 nan 0.000 0.415 604 C N 1.760 121.226 119.300 0.277 0.000 2.478 604 C HA 0.877 5.325 4.460 -0.019 0.000 0.334 604 C C 0.264 175.389 174.990 0.226 0.000 1.106 604 C CA -0.446 58.717 59.018 0.241 0.000 1.363 604 C CB -0.231 27.669 27.740 0.266 0.000 1.941 604 C HN 1.032 nan 8.230 nan 0.000 0.436 605 A N 6.478 129.385 122.820 0.145 0.000 2.354 605 A HA 0.732 5.041 4.320 -0.019 0.000 0.269 605 A C -0.323 177.318 177.584 0.095 0.000 1.109 605 A CA -0.153 51.944 52.037 0.100 0.000 0.800 605 A CB 0.409 19.441 19.000 0.052 0.000 1.045 605 A HN 0.945 nan 8.150 nan 0.000 0.489 606 L N 1.473 122.747 121.223 0.084 0.000 2.347 606 L HA 0.589 4.918 4.340 -0.019 0.000 0.268 606 L C 1.596 178.470 176.870 0.006 0.000 1.019 606 L CA -0.506 54.366 54.840 0.052 0.000 0.806 606 L CB 1.159 43.276 42.059 0.097 0.000 1.339 606 L HN 0.786 nan 8.230 nan 0.000 0.463 607 G N -0.778 108.012 108.800 -0.017 0.000 2.880 607 G HA2 -0.115 3.833 3.960 -0.019 0.000 0.209 607 G HA3 -0.115 3.833 3.960 -0.019 0.000 0.209 607 G C 0.693 175.580 174.900 -0.022 0.000 1.157 607 G CA 0.271 45.354 45.100 -0.029 0.000 0.779 607 G HN 0.794 nan 8.290 nan 0.000 0.539 608 D N -0.481 119.912 120.400 -0.012 0.000 2.340 608 D HA 0.189 4.817 4.640 -0.019 0.000 0.220 608 D C 1.709 177.996 176.300 -0.022 0.000 1.039 608 D CA 0.730 54.723 54.000 -0.012 0.000 0.866 608 D CB -0.171 40.630 40.800 0.001 0.000 0.913 608 D HN 0.399 nan 8.370 nan 0.000 0.523 609 G N 0.287 109.070 108.800 -0.029 0.000 2.345 609 G HA2 -0.217 3.731 3.960 -0.019 0.000 0.218 609 G HA3 -0.217 3.731 3.960 -0.019 0.000 0.218 609 G C 0.677 175.546 174.900 -0.051 0.000 1.058 609 G CA 0.284 45.358 45.100 -0.042 0.000 0.632 609 G HN 0.817 nan 8.290 nan 0.000 0.508 610 A N 0.034 122.817 122.820 -0.062 0.000 2.409 610 A HA 0.704 5.013 4.320 -0.019 0.000 0.246 610 A C 0.118 177.618 177.584 -0.141 0.000 1.099 610 A CA 1.229 53.191 52.037 -0.124 0.000 0.789 610 A CB 0.611 19.499 19.000 -0.188 0.000 1.053 610 A HN 1.792 nan 8.150 nan 0.000 0.503 611 L N -0.517 120.563 121.223 -0.240 0.000 2.513 611 L HA 0.716 5.045 4.340 -0.019 0.000 0.261 611 L C -1.796 174.934 176.870 -0.233 0.000 0.945 611 L CA -0.577 54.190 54.840 -0.121 0.000 0.848 611 L CB 1.544 43.635 42.059 0.054 0.000 1.334 611 L HN 0.646 nan 8.230 nan 0.000 0.407 612 F N 3.776 123.811 119.950 0.142 0.000 2.480 612 F HA 0.618 5.133 4.527 -0.021 0.000 0.329 612 F C -0.690 175.093 175.800 -0.030 0.000 1.091 612 F CA -0.501 57.488 58.000 -0.018 0.000 0.972 612 F CB 1.611 40.633 39.000 0.036 0.000 1.150 612 F HN 0.334 nan 8.300 nan 0.000 0.467 613 Y N 0.367 120.441 120.300 -0.377 0.000 2.477 613 Y HA 0.839 5.379 4.550 -0.016 0.000 0.347 613 Y C -1.709 173.762 175.900 -0.715 0.000 0.981 613 Y CA -2.786 55.111 58.100 -0.339 0.000 1.033 613 Y CB 1.179 39.559 38.460 -0.134 0.000 1.245 613 Y HN 0.452 nan 8.280 nan 0.000 0.455 614 F N 0.590 120.728 119.950 0.313 0.000 2.628 614 F HA 0.694 5.207 4.527 -0.024 0.000 0.309 614 F C 0.319 176.281 175.800 0.269 0.000 1.108 614 F CA -1.285 56.849 58.000 0.224 0.000 0.971 614 F CB 2.544 41.636 39.000 0.153 0.000 1.279 614 F HN 0.920 nan 8.300 nan 0.000 0.441 615 G N 1.861 110.893 108.800 0.388 0.000 2.389 615 G HA2 0.644 4.592 3.960 -0.019 0.000 0.317 615 G HA3 0.644 4.592 3.960 -0.019 0.000 0.317 615 G C -1.564 173.420 174.900 0.140 0.000 1.137 615 G CA -0.333 44.895 45.100 0.213 0.000 0.870 615 G HN 0.475 nan 8.290 nan 0.000 0.496 616 L N 0.370 121.637 121.223 0.073 0.000 2.177 616 L HA 0.677 5.006 4.340 -0.019 0.000 0.255 616 L C -0.841 176.047 176.870 0.029 0.000 1.065 616 L CA -1.115 53.764 54.840 0.064 0.000 0.982 616 L CB 2.183 44.295 42.059 0.089 0.000 1.559 616 L HN 0.533 nan 8.230 nan 0.000 0.492 617 N N 0.953 119.647 118.700 -0.010 0.000 2.500 617 N HA 0.315 5.044 4.740 -0.019 0.000 0.291 617 N C 0.644 176.076 175.510 -0.130 0.000 1.092 617 N CA -0.233 52.788 53.050 -0.048 0.000 0.890 617 N CB 1.757 40.224 38.487 -0.034 0.000 1.466 617 N HN 0.629 nan 8.380 nan 0.000 0.507 618 I N -0.850 119.560 120.570 -0.265 0.000 2.315 618 I HA -0.264 3.895 4.170 -0.019 0.000 0.251 618 I C 1.556 177.579 176.117 -0.157 0.000 1.125 618 I CA 1.308 62.411 61.300 -0.328 0.000 1.392 618 I CB -0.135 37.585 38.000 -0.467 0.000 1.065 618 I HN 0.358 nan 8.210 nan 0.000 0.424 619 E N 1.274 121.413 120.200 -0.102 0.000 2.034 619 E HA -0.087 4.251 4.350 -0.019 0.000 0.192 619 E C 2.140 178.709 176.600 -0.052 0.000 0.963 619 E CA 1.577 57.939 56.400 -0.063 0.000 0.831 619 E CB -0.861 28.813 29.700 -0.043 0.000 0.801 619 E HN 0.487 nan 8.360 nan 0.000 0.463 620 T N -0.241 114.286 114.554 -0.045 0.000 2.508 620 T HA 0.117 4.455 4.350 -0.019 0.000 0.249 620 T C 0.936 175.616 174.700 -0.033 0.000 1.173 620 T CA 2.080 64.159 62.100 -0.036 0.000 1.275 620 T CB -0.578 68.269 68.868 -0.035 0.000 0.883 620 T HN 0.523 nan 8.240 nan 0.000 0.394 621 G N 1.071 109.852 108.800 -0.031 0.000 2.768 621 G HA2 0.291 4.240 3.960 -0.019 0.000 0.666 621 G HA3 0.291 4.240 3.960 -0.019 0.000 0.666 621 G C -1.155 173.736 174.900 -0.015 0.000 1.162 621 G CA -0.249 44.841 45.100 -0.016 0.000 1.226 621 G HN 0.663 nan 8.290 nan 0.000 0.535 622 L N 0.734 121.935 121.223 -0.036 0.000 2.251 622 L HA 0.785 5.113 4.340 -0.019 0.000 0.244 622 L C 0.977 177.747 176.870 -0.167 0.000 1.095 622 L CA -0.969 53.792 54.840 -0.133 0.000 0.910 622 L CB 1.439 43.417 42.059 -0.136 0.000 1.516 622 L HN 0.557 nan 8.230 nan 0.000 0.429 623 L N -0.845 120.111 121.223 -0.445 0.000 2.636 623 L HA 0.430 4.759 4.340 -0.019 0.000 0.163 623 L C 0.580 177.395 176.870 -0.091 0.000 1.052 623 L CA 1.094 55.734 54.840 -0.333 0.000 1.170 623 L CB 0.814 42.596 42.059 -0.461 0.000 1.864 623 L HN 0.994 nan 8.230 nan 0.000 0.472 624 S N -2.225 113.499 115.700 0.040 0.000 4.319 624 S HA 0.166 4.625 4.470 -0.019 0.000 0.257 624 S C -1.642 173.164 174.600 0.343 0.000 0.986 624 S CA -0.728 57.611 58.200 0.232 0.000 1.189 624 S CB 0.233 63.647 63.200 0.356 0.000 1.909 624 S HN 0.455 nan 8.310 nan 0.000 0.462 625 D N 1.675 122.325 120.400 0.417 0.000 2.454 625 D HA 0.461 5.090 4.640 -0.019 0.000 0.225 625 D C -0.585 175.622 176.300 -0.155 0.000 1.081 625 D CA -0.163 53.916 54.000 0.131 0.000 0.864 625 D CB 0.975 41.796 40.800 0.034 0.000 1.040 625 D HN 0.419 nan 8.370 nan 0.000 0.517 626 R N 3.205 123.753 120.500 0.080 0.000 2.288 626 R HA 0.252 4.580 4.340 -0.019 0.000 0.330 626 R C -0.496 175.623 176.300 -0.302 0.000 1.069 626 R CA 0.158 56.213 56.100 -0.074 0.000 0.941 626 R CB 0.071 30.527 30.300 0.260 0.000 0.998 626 R HN 0.340 nan 8.270 nan 0.000 0.452 627 K N 3.308 123.301 120.400 -0.680 0.000 2.522 627 K HA 0.314 4.623 4.320 -0.019 0.000 0.275 627 K C -1.243 175.029 176.600 -0.547 0.000 1.006 627 K CA -1.052 54.883 56.287 -0.588 0.000 0.890 627 K CB 2.173 34.314 32.500 -0.600 0.000 1.475 627 K HN 0.235 nan 8.250 nan 0.000 0.441 628 K N 2.236 122.490 120.400 -0.245 0.000 2.675 628 K HA 0.180 4.489 4.320 -0.019 0.000 0.224 628 K C -0.091 176.432 176.600 -0.128 0.000 1.003 628 K CA -0.387 55.696 56.287 -0.340 0.000 1.034 628 K CB 0.910 33.193 32.500 -0.363 0.000 1.218 628 K HN 0.580 nan 8.250 nan 0.000 0.507 629 V N 0.109 120.030 119.914 0.012 0.000 3.923 629 V HA 0.288 4.397 4.120 -0.019 0.000 0.264 629 V C 0.985 177.059 176.094 -0.034 0.000 0.897 629 V CA 0.476 62.788 62.300 0.021 0.000 0.882 629 V CB 0.621 32.504 31.823 0.100 0.000 1.206 629 V HN 0.743 nan 8.190 nan 0.000 0.396 630 T N -3.034 111.523 114.554 0.006 0.000 3.154 630 T HA 0.272 4.611 4.350 -0.019 0.000 0.258 630 T C 0.977 175.660 174.700 -0.029 0.000 0.899 630 T CA 0.523 62.610 62.100 -0.023 0.000 0.908 630 T CB -0.424 68.436 68.868 -0.013 0.000 1.260 630 T HN 0.615 nan 8.240 nan 0.000 0.521 631 L N 0.657 121.868 121.223 -0.020 0.000 5.334 631 L HA -0.259 4.070 4.340 -0.019 0.000 0.053 631 L C 1.587 178.411 176.870 -0.076 0.000 2.649 631 L CA 1.452 56.248 54.840 -0.073 0.000 1.695 631 L CB -2.034 39.952 42.059 -0.122 0.000 2.744 631 L HN 0.496 nan 8.230 nan 0.000 0.899 632 G N -1.553 107.193 108.800 -0.090 0.000 2.553 632 G HA2 0.355 4.304 3.960 -0.019 0.000 0.278 632 G HA3 0.355 4.304 3.960 -0.019 0.000 0.278 632 G C 0.925 175.791 174.900 -0.057 0.000 1.349 632 G CA 0.516 45.569 45.100 -0.078 0.000 1.037 632 G HN 0.795 nan 8.290 nan 0.000 0.508 633 T N -2.880 111.644 114.554 -0.050 0.000 3.040 633 T HA 0.135 4.474 4.350 -0.019 0.000 0.252 633 T C 0.883 175.560 174.700 -0.038 0.000 1.064 633 T CA 0.471 62.548 62.100 -0.037 0.000 1.110 633 T CB 0.100 68.950 68.868 -0.030 0.000 0.921 633 T HN 0.287 nan 8.240 nan 0.000 0.480 634 Q N 2.140 121.912 119.800 -0.048 0.000 2.256 634 Q HA 0.443 4.772 4.340 -0.019 0.000 0.232 634 Q C -2.438 173.531 176.000 -0.051 0.000 0.965 634 Q CA -2.730 53.044 55.803 -0.048 0.000 0.908 634 Q CB 0.499 29.202 28.738 -0.059 0.000 1.209 634 Q HN 0.230 nan 8.270 nan 0.000 0.489 635 P HA -0.094 nan 4.420 nan 0.000 0.271 635 P C -0.645 176.623 177.300 -0.054 0.000 1.197 635 P CA 0.565 63.643 63.100 -0.038 0.000 0.777 635 P CB 0.318 32.002 31.700 -0.026 0.000 0.827 636 T N 0.594 115.125 114.554 -0.038 0.000 2.937 636 T HA 0.356 4.695 4.350 -0.019 0.000 0.297 636 T C -0.643 174.049 174.700 -0.015 0.000 0.991 636 T CA -0.445 61.625 62.100 -0.051 0.000 0.990 636 T CB 0.936 69.771 68.868 -0.056 0.000 0.991 636 T HN 0.049 nan 8.240 nan 0.000 0.440 637 V N 4.740 124.646 119.914 -0.013 0.000 2.328 637 V HA 0.443 4.552 4.120 -0.019 0.000 0.278 637 V C 0.037 176.177 176.094 0.076 0.000 1.021 637 V CA -0.923 61.406 62.300 0.049 0.000 0.838 637 V CB 0.617 32.483 31.823 0.072 0.000 0.999 637 V HN 0.741 nan 8.190 nan 0.000 0.447 638 L N 5.209 126.482 121.223 0.082 0.000 2.349 638 L HA 0.683 5.012 4.340 -0.019 0.000 0.275 638 L C 0.277 177.222 176.870 0.125 0.000 1.115 638 L CA 0.156 55.051 54.840 0.093 0.000 0.820 638 L CB 0.851 42.959 42.059 0.081 0.000 1.135 638 L HN 0.652 nan 8.230 nan 0.000 0.445 639 R N 0.940 121.535 120.500 0.158 0.000 2.929 639 R HA 0.683 5.012 4.340 -0.019 0.000 0.259 639 R C -1.488 174.908 176.300 0.160 0.000 1.141 639 R CA -0.571 55.615 56.100 0.143 0.000 0.991 639 R CB 1.996 32.358 30.300 0.103 0.000 1.287 639 R HN 0.495 nan 8.270 nan 0.000 0.450 640 T N 1.388 116.018 114.554 0.126 0.000 3.071 640 T HA 0.576 4.914 4.350 -0.019 0.000 0.311 640 T C -1.600 173.138 174.700 0.063 0.000 1.042 640 T CA -0.469 61.658 62.100 0.044 0.000 1.028 640 T CB 0.311 69.145 68.868 -0.058 0.000 1.068 640 T HN 0.358 nan 8.240 nan 0.000 0.451 641 F N 0.880 120.823 119.950 -0.010 0.000 2.538 641 F HA 0.758 5.273 4.527 -0.019 0.000 0.325 641 F C 0.157 175.961 175.800 0.008 0.000 1.066 641 F CA -1.682 56.303 58.000 -0.025 0.000 0.946 641 F CB 1.027 39.999 39.000 -0.047 0.000 1.199 641 F HN 0.454 nan 8.300 nan 0.000 0.473 642 R N 2.216 122.809 120.500 0.155 0.000 2.343 642 R HA 0.369 4.698 4.340 -0.019 0.000 0.326 642 R C -0.034 176.396 176.300 0.216 0.000 1.055 642 R CA 0.569 56.738 56.100 0.115 0.000 0.961 642 R CB 0.542 30.904 30.300 0.104 0.000 0.978 642 R HN 1.074 nan 8.270 nan 0.000 0.443 643 S N 5.353 121.150 115.700 0.161 0.000 3.541 643 S HA 0.276 4.735 4.470 -0.019 0.000 0.180 643 S C 0.900 175.590 174.600 0.150 0.000 0.887 643 S CA -0.139 58.200 58.200 0.232 0.000 1.264 643 S CB -0.425 62.974 63.200 0.331 0.000 0.873 643 S HN 0.616 nan 8.310 nan 0.000 0.809 644 L N 0.212 121.516 121.223 0.135 0.000 2.727 644 L HA 0.613 4.942 4.340 -0.019 0.000 0.210 644 L C 2.087 179.007 176.870 0.083 0.000 1.934 644 L CA 0.095 54.997 54.840 0.102 0.000 2.874 644 L CB -0.619 41.500 42.059 0.101 0.000 2.806 644 L HN 0.623 nan 8.230 nan 0.000 0.676 645 S N -0.694 115.054 115.700 0.080 0.000 2.399 645 S HA -0.155 4.304 4.470 -0.019 0.000 0.231 645 S C 1.441 176.090 174.600 0.083 0.000 1.022 645 S CA 1.256 59.499 58.200 0.072 0.000 0.983 645 S CB -1.208 62.034 63.200 0.070 0.000 0.803 645 S HN 0.843 nan 8.310 nan 0.000 0.480 646 T N 1.036 115.659 114.554 0.115 0.000 3.268 646 T HA 0.299 4.638 4.350 -0.019 0.000 0.258 646 T C 0.365 175.189 174.700 0.207 0.000 0.966 646 T CA 0.041 62.260 62.100 0.198 0.000 0.952 646 T CB -0.859 68.143 68.868 0.223 0.000 1.132 646 T HN 0.518 nan 8.240 nan 0.000 0.536 647 T N 1.821 116.398 114.554 0.038 0.000 2.657 647 T HA -0.073 4.266 4.350 -0.019 0.000 0.245 647 T C 0.133 174.671 174.700 -0.269 0.000 1.021 647 T CA 0.319 62.340 62.100 -0.131 0.000 1.155 647 T CB -0.236 68.559 68.868 -0.121 0.000 1.022 647 T HN 0.610 nan 8.240 nan 0.000 0.477 648 N N 2.137 120.360 118.700 -0.795 0.000 2.879 648 N HA 0.526 5.254 4.740 -0.019 0.000 0.329 648 N C -0.933 174.181 175.510 -0.660 0.000 1.337 648 N CA -0.856 51.836 53.050 -0.596 0.000 0.844 648 N CB 1.535 39.659 38.487 -0.605 0.000 1.236 648 N HN 0.500 nan 8.380 nan 0.000 0.601 649 V N 1.556 121.401 119.914 -0.115 0.000 2.347 649 V HA 0.315 4.424 4.120 -0.019 0.000 0.280 649 V C -0.715 175.546 176.094 0.279 0.000 1.021 649 V CA -0.610 61.752 62.300 0.103 0.000 0.847 649 V CB 0.198 32.063 31.823 0.070 0.000 0.990 649 V HN 0.462 nan 8.190 nan 0.000 0.444 650 F N 4.292 124.377 119.950 0.226 0.000 2.420 650 F HA 0.757 5.273 4.527 -0.018 0.000 0.342 650 F C 0.417 176.171 175.800 -0.077 0.000 1.113 650 F CA -0.543 57.476 58.000 0.031 0.000 1.059 650 F CB 1.150 40.132 39.000 -0.030 0.000 1.128 650 F HN 0.534 nan 8.300 nan 0.000 0.475 651 A N 5.775 128.213 122.820 -0.638 0.000 2.249 651 A HA 0.495 4.803 4.320 -0.019 0.000 0.314 651 A C -1.015 176.312 177.584 -0.429 0.000 1.290 651 A CA -0.499 51.288 52.037 -0.417 0.000 0.893 651 A CB -0.130 18.606 19.000 -0.439 0.000 1.165 651 A HN 0.860 nan 8.150 nan 0.000 0.530 652 C N 2.549 121.813 119.300 -0.059 0.000 2.349 652 C HA 0.716 5.165 4.460 -0.019 0.000 0.348 652 C C 1.008 175.928 174.990 -0.117 0.000 1.223 652 C CA 0.102 59.123 59.018 0.006 0.000 1.746 652 C CB -0.915 26.847 27.740 0.036 0.000 2.360 652 C HN 0.925 nan 8.230 nan 0.000 0.533 653 S N 1.181 116.796 115.700 -0.143 0.000 2.656 653 S HA 0.313 4.771 4.470 -0.019 0.000 0.273 653 S C 0.600 175.124 174.600 -0.126 0.000 1.168 653 S CA -0.444 57.672 58.200 -0.141 0.000 0.817 653 S CB 1.043 64.147 63.200 -0.160 0.000 1.146 653 S HN 0.805 nan 8.310 nan 0.000 0.475 654 D N 0.786 121.122 120.400 -0.108 0.000 2.310 654 D HA -0.099 4.530 4.640 -0.019 0.000 0.212 654 D C 0.667 176.911 176.300 -0.093 0.000 0.965 654 D CA 0.531 54.477 54.000 -0.091 0.000 0.879 654 D CB 0.027 40.784 40.800 -0.073 0.000 0.921 654 D HN 0.334 nan 8.370 nan 0.000 0.510 655 R N 1.464 121.896 120.500 -0.113 0.000 2.402 655 R HA 0.247 4.576 4.340 -0.019 0.000 0.290 655 R C -2.851 173.337 176.300 -0.186 0.000 1.321 655 R CA -1.722 54.302 56.100 -0.126 0.000 1.283 655 R CB 1.380 31.614 30.300 -0.109 0.000 1.111 655 R HN -0.094 nan 8.270 nan 0.000 0.578 656 P HA 0.064 nan 4.420 nan 0.000 0.265 656 P C -0.922 176.120 177.300 -0.429 0.000 1.193 656 P CA 0.207 63.110 63.100 -0.328 0.000 0.765 656 P CB 1.185 32.770 31.700 -0.192 0.000 0.823 657 T N 1.977 116.132 114.554 -0.665 0.000 2.912 657 T HA 0.344 4.683 4.350 -0.019 0.000 0.299 657 T C -0.463 173.783 174.700 -0.756 0.000 1.052 657 T CA -0.467 61.281 62.100 -0.586 0.000 0.996 657 T CB 1.608 70.151 68.868 -0.541 0.000 1.070 657 T HN 0.063 nan 8.240 nan 0.000 0.465 658 V N 3.386 122.983 119.914 -0.528 0.000 2.547 658 V HA 0.559 4.668 4.120 -0.019 0.000 0.299 658 V C -0.521 175.294 176.094 -0.465 0.000 1.040 658 V CA -0.797 61.198 62.300 -0.508 0.000 0.913 658 V CB 1.544 33.070 31.823 -0.496 0.000 0.992 658 V HN 0.736 nan 8.190 nan 0.000 0.449 659 I N 5.728 126.039 120.570 -0.432 0.000 2.359 659 I HA 0.394 4.553 4.170 -0.019 0.000 0.284 659 I C -0.567 175.372 176.117 -0.296 0.000 1.018 659 I CA -0.162 60.945 61.300 -0.322 0.000 1.173 659 I CB 0.679 38.499 38.000 -0.300 0.000 1.326 659 I HN 0.544 nan 8.210 nan 0.000 0.462 660 Y N 3.113 123.335 120.300 -0.130 0.000 3.214 660 Y HA 0.479 5.017 4.550 -0.020 0.000 0.404 660 Y C 0.745 176.361 175.900 -0.473 0.000 1.177 660 Y CA -0.405 57.565 58.100 -0.216 0.000 1.288 660 Y CB 0.318 38.728 38.460 -0.083 0.000 1.262 660 Y HN 0.340 nan 8.280 nan 0.000 0.883 661 S N -0.983 114.642 115.700 -0.124 0.000 2.603 661 S HA 0.366 4.824 4.470 -0.019 0.000 0.274 661 S C -0.362 174.179 174.600 -0.098 0.000 1.168 661 S CA -0.812 57.238 58.200 -0.251 0.000 0.963 661 S CB 1.917 64.906 63.200 -0.352 0.000 1.078 661 S HN 0.469 nan 8.310 nan 0.000 0.477 662 S N 2.256 117.911 115.700 -0.075 0.000 3.164 662 S HA 0.136 4.595 4.470 -0.019 0.000 0.198 662 S C 1.723 176.327 174.600 0.006 0.000 1.108 662 S CA 0.778 58.964 58.200 -0.024 0.000 1.501 662 S CB -0.500 62.691 63.200 -0.014 0.000 0.788 662 S HN 0.830 nan 8.310 nan 0.000 0.552 663 N N 0.737 119.456 118.700 0.031 0.000 2.061 663 N HA -0.180 4.549 4.740 -0.019 0.000 0.193 663 N C 1.272 176.862 175.510 0.134 0.000 1.030 663 N CA 2.404 55.491 53.050 0.062 0.000 0.856 663 N CB -0.308 38.207 38.487 0.047 0.000 1.023 663 N HN 0.720 nan 8.380 nan 0.000 0.424 664 H N -1.835 117.253 119.070 0.029 0.000 3.749 664 H HA 0.268 4.813 4.556 -0.019 0.000 0.266 664 H C -0.048 175.328 175.328 0.080 0.000 1.123 664 H CA -0.329 55.754 56.048 0.059 0.000 1.189 664 H CB 0.324 30.127 29.762 0.069 0.000 1.731 664 H HN 0.038 nan 8.280 nan 0.000 0.863 665 K N 0.752 121.200 120.400 0.080 0.000 3.029 665 K HA 0.423 4.732 4.320 -0.019 0.000 0.347 665 K C -0.272 176.263 176.600 -0.108 0.000 0.994 665 K CA -0.175 56.138 56.287 0.043 0.000 1.278 665 K CB 0.489 33.008 32.500 0.031 0.000 1.270 665 K HN 0.018 nan 8.250 nan 0.000 0.550 666 L N 0.941 122.098 121.223 -0.110 0.000 2.562 666 L HA 0.254 4.582 4.340 -0.019 0.000 0.266 666 L C -0.866 175.996 176.870 -0.013 0.000 0.949 666 L CA -0.800 53.940 54.840 -0.167 0.000 0.879 666 L CB 2.009 43.953 42.059 -0.192 0.000 1.278 666 L HN 0.185 nan 8.230 nan 0.000 0.404 667 V N 2.033 121.980 119.914 0.055 0.000 3.083 667 V HA 0.310 4.419 4.120 -0.019 0.000 0.306 667 V C -0.496 175.795 176.094 0.329 0.000 1.077 667 V CA 0.044 62.451 62.300 0.179 0.000 1.073 667 V CB 1.531 33.481 31.823 0.211 0.000 1.081 667 V HN 0.517 nan 8.190 nan 0.000 0.474 668 F N 0.814 120.741 119.950 -0.038 0.000 2.566 668 F HA 0.370 4.888 4.527 -0.016 0.000 0.352 668 F C 0.422 176.185 175.800 -0.062 0.000 1.534 668 F CA -0.249 57.698 58.000 -0.089 0.000 1.097 668 F CB 0.872 39.783 39.000 -0.148 0.000 1.488 668 F HN 0.385 nan 8.300 nan 0.000 0.562 669 S N 0.367 116.096 115.700 0.048 0.000 2.565 669 S HA 0.360 4.818 4.470 -0.019 0.000 0.290 669 S C 0.094 174.658 174.600 -0.061 0.000 1.150 669 S CA -0.837 57.376 58.200 0.022 0.000 1.058 669 S CB 1.042 64.284 63.200 0.070 0.000 1.032 669 S HN 0.229 nan 8.310 nan 0.000 0.510 670 N N 1.099 119.757 118.700 -0.071 0.000 2.395 670 N HA 0.091 4.820 4.740 -0.019 0.000 0.246 670 N C -0.757 174.696 175.510 -0.096 0.000 1.246 670 N CA 0.232 53.220 53.050 -0.103 0.000 0.879 670 N CB 0.499 38.936 38.487 -0.082 0.000 1.098 670 N HN 0.264 nan 8.380 nan 0.000 0.444 671 V N 2.818 122.648 119.914 -0.138 0.000 2.398 671 V HA 0.136 4.244 4.120 -0.019 0.000 0.286 671 V C 0.238 176.280 176.094 -0.087 0.000 1.026 671 V CA -0.893 61.339 62.300 -0.113 0.000 0.868 671 V CB 1.221 32.951 31.823 -0.155 0.000 0.982 671 V HN 0.490 nan 8.190 nan 0.000 0.443 672 N N 6.087 124.746 118.700 -0.069 0.000 2.971 672 N HA 0.357 5.086 4.740 -0.019 0.000 0.294 672 N C -0.775 174.702 175.510 -0.055 0.000 1.210 672 N CA 0.309 53.325 53.050 -0.058 0.000 1.157 672 N CB 0.055 38.512 38.487 -0.050 0.000 1.450 672 N HN 0.543 nan 8.380 nan 0.000 0.527 673 L N 0.325 121.516 121.223 -0.054 0.000 2.424 673 L HA 0.287 4.616 4.340 -0.019 0.000 0.258 673 L C 1.241 178.083 176.870 -0.046 0.000 0.995 673 L CA -0.778 54.034 54.840 -0.046 0.000 0.821 673 L CB 2.339 44.377 42.059 -0.035 0.000 1.383 673 L HN 0.013 nan 8.230 nan 0.000 0.410 674 K N 1.337 121.713 120.400 -0.041 0.000 1.971 674 K HA -0.075 4.234 4.320 -0.019 0.000 0.221 674 K C 0.118 176.688 176.600 -0.049 0.000 1.050 674 K CA 1.833 58.096 56.287 -0.040 0.000 0.967 674 K CB 0.140 32.618 32.500 -0.035 0.000 0.733 674 K HN 0.608 nan 8.250 nan 0.000 0.445 675 E N -1.463 118.706 120.200 -0.052 0.000 2.472 675 E HA 0.252 4.590 4.350 -0.019 0.000 0.290 675 E C -1.930 174.631 176.600 -0.065 0.000 1.059 675 E CA -0.605 55.756 56.400 -0.064 0.000 0.861 675 E CB 1.520 31.178 29.700 -0.070 0.000 1.213 675 E HN -0.037 nan 8.360 nan 0.000 0.425 676 V N 4.145 124.020 119.914 -0.066 0.000 2.577 676 V HA 0.321 4.430 4.120 -0.019 0.000 0.303 676 V C 0.455 176.457 176.094 -0.152 0.000 1.042 676 V CA -0.796 61.466 62.300 -0.064 0.000 0.872 676 V CB 1.632 33.501 31.823 0.076 0.000 0.998 676 V HN 0.676 nan 8.190 nan 0.000 0.423 677 N N 2.357 120.894 118.700 -0.271 0.000 2.245 677 N HA 0.123 4.852 4.740 -0.019 0.000 0.185 677 N C -0.372 174.560 175.510 -0.964 0.000 1.036 677 N CA 1.312 53.994 53.050 -0.614 0.000 0.857 677 N CB 0.243 38.349 38.487 -0.634 0.000 1.015 677 N HN 0.678 nan 8.380 nan 0.000 0.436 678 Y N -0.894 119.334 120.300 -0.121 0.000 2.609 678 Y HA 0.614 5.153 4.550 -0.019 0.000 0.342 678 Y C 0.080 175.833 175.900 -0.245 0.000 1.058 678 Y CA -1.168 56.826 58.100 -0.177 0.000 1.055 678 Y CB 1.803 40.117 38.460 -0.243 0.000 1.292 678 Y HN -0.182 nan 8.280 nan 0.000 0.476 679 M N 2.816 122.324 119.600 -0.153 0.000 2.389 679 M HA 0.641 5.109 4.480 -0.019 0.000 0.291 679 M C -2.252 173.863 176.300 -0.309 0.000 1.128 679 M CA -0.637 54.462 55.300 -0.335 0.000 0.942 679 M CB 1.316 33.510 32.600 -0.677 0.000 1.783 679 M HN 0.978 nan 8.290 nan 0.000 0.501 680 C N 1.949 121.073 119.300 -0.293 0.000 3.170 680 C HA 0.906 5.354 4.460 -0.019 0.000 0.319 680 C C -2.906 171.970 174.990 -0.189 0.000 1.260 680 C CA -1.370 57.515 59.018 -0.222 0.000 1.374 680 C CB 1.583 29.184 27.740 -0.231 0.000 1.739 680 C HN 0.725 nan 8.230 nan 0.000 0.479 681 P HA 0.488 nan 4.420 nan 0.000 0.270 681 P C -0.658 176.545 177.300 -0.161 0.000 1.221 681 P CA 0.223 63.272 63.100 -0.086 0.000 0.788 681 P CB 0.349 32.033 31.700 -0.026 0.000 0.904 682 L N 1.221 122.383 121.223 -0.102 0.000 2.999 682 L HA 0.509 4.837 4.340 -0.019 0.000 0.274 682 L C -0.592 176.338 176.870 0.101 0.000 1.044 682 L CA -0.144 54.635 54.840 -0.102 0.000 0.943 682 L CB 2.010 44.006 42.059 -0.104 0.000 1.522 682 L HN 0.260 nan 8.230 nan 0.000 0.400 683 N N -0.529 118.317 118.700 0.243 0.000 2.058 683 N HA 0.085 4.813 4.740 -0.019 0.000 0.221 683 N C -0.898 174.759 175.510 0.246 0.000 1.418 683 N CA 0.536 53.750 53.050 0.273 0.000 0.826 683 N CB 0.402 39.085 38.487 0.326 0.000 1.175 683 N HN 0.515 nan 8.380 nan 0.000 0.563 684 S N 0.475 116.332 115.700 0.262 0.000 2.563 684 S HA -0.024 4.435 4.470 -0.019 0.000 0.269 684 S C -0.224 174.471 174.600 0.157 0.000 1.364 684 S CA 0.180 58.507 58.200 0.213 0.000 1.010 684 S CB 0.200 63.544 63.200 0.241 0.000 0.877 684 S HN 0.336 nan 8.310 nan 0.000 0.549 685 D N 0.917 121.380 120.400 0.106 0.000 2.508 685 D HA 0.436 5.065 4.640 -0.019 0.000 0.224 685 D C 0.717 177.046 176.300 0.050 0.000 1.171 685 D CA 0.135 54.172 54.000 0.062 0.000 1.006 685 D CB -0.295 40.526 40.800 0.035 0.000 1.073 685 D HN 0.676 nan 8.370 nan 0.000 0.513 686 G N 0.634 109.446 108.800 0.019 0.000 3.578 686 G HA2 -0.121 3.827 3.960 -0.019 0.000 0.220 686 G HA3 -0.121 3.827 3.960 -0.019 0.000 0.220 686 G C -0.362 174.290 174.900 -0.413 0.000 0.933 686 G CA -0.647 44.377 45.100 -0.126 0.000 0.847 686 G HN 0.274 nan 8.290 nan 0.000 0.612 687 Y N 0.532 120.887 120.300 0.092 0.000 2.882 687 Y HA 0.318 4.856 4.550 -0.019 0.000 0.251 687 Y C -2.472 173.490 175.900 0.102 0.000 0.961 687 Y CA -1.241 56.933 58.100 0.123 0.000 1.175 687 Y CB 0.886 39.410 38.460 0.106 0.000 1.155 687 Y HN 0.058 nan 8.280 nan 0.000 0.568 688 P HA -0.091 nan 4.420 nan 0.000 0.313 688 P C 0.339 177.725 177.300 0.143 0.000 1.332 688 P CA 0.120 63.310 63.100 0.150 0.000 0.777 688 P CB 0.447 32.210 31.700 0.105 0.000 1.599 689 D N -0.106 120.364 120.400 0.116 0.000 3.797 689 D HA -0.089 4.540 4.640 -0.019 0.000 0.274 689 D C 0.024 176.368 176.300 0.073 0.000 1.541 689 D CA 0.993 55.052 54.000 0.099 0.000 1.311 689 D CB -0.529 40.327 40.800 0.094 0.000 1.237 689 D HN -0.009 nan 8.370 nan 0.000 0.657 690 S N 1.980 117.711 115.700 0.053 0.000 2.618 690 S HA 0.824 5.283 4.470 -0.019 0.000 0.284 690 S C -0.321 174.246 174.600 -0.055 0.000 1.102 690 S CA -0.743 57.453 58.200 -0.007 0.000 0.984 690 S CB 0.896 64.096 63.200 0.000 0.000 1.280 690 S HN 0.451 nan 8.310 nan 0.000 0.525 691 L N 0.535 121.684 121.223 -0.123 0.000 3.481 691 L HA 0.331 4.660 4.340 -0.019 0.000 0.267 691 L C -0.957 175.782 176.870 -0.218 0.000 0.972 691 L CA -0.623 54.109 54.840 -0.181 0.000 1.150 691 L CB 1.103 43.026 42.059 -0.227 0.000 1.902 691 L HN 0.724 nan 8.230 nan 0.000 0.561 692 A N 3.669 126.352 122.820 -0.229 0.000 2.302 692 A HA 0.937 5.246 4.320 -0.019 0.000 0.285 692 A C -0.865 176.565 177.584 -0.258 0.000 1.105 692 A CA -0.184 51.718 52.037 -0.225 0.000 0.816 692 A CB 1.073 19.948 19.000 -0.209 0.000 1.067 692 A HN 0.535 nan 8.150 nan 0.000 0.489 693 L N 0.706 121.798 121.223 -0.219 0.000 2.639 693 L HA 0.574 4.902 4.340 -0.019 0.000 0.264 693 L C -0.066 176.715 176.870 -0.148 0.000 0.948 693 L CA 0.242 54.951 54.840 -0.218 0.000 0.912 693 L CB 1.758 43.672 42.059 -0.242 0.000 1.294 693 L HN 0.894 nan 8.230 nan 0.000 0.412 694 A N 3.198 125.946 122.820 -0.120 0.000 2.337 694 A HA 0.924 5.233 4.320 -0.019 0.000 0.329 694 A C -0.625 176.904 177.584 -0.091 0.000 1.146 694 A CA -0.505 51.481 52.037 -0.084 0.000 0.800 694 A CB 1.073 20.045 19.000 -0.047 0.000 1.220 694 A HN 0.726 nan 8.150 nan 0.000 0.472 695 N N 0.939 119.589 118.700 -0.083 0.000 3.091 695 N HA 0.137 4.866 4.740 -0.019 0.000 0.329 695 N C 0.552 176.014 175.510 -0.079 0.000 1.430 695 N CA -0.519 52.476 53.050 -0.092 0.000 0.755 695 N CB 0.248 38.689 38.487 -0.077 0.000 1.626 695 N HN 0.453 nan 8.380 nan 0.000 0.614 696 N N -0.135 118.520 118.700 -0.074 0.000 2.225 696 N HA -0.273 4.456 4.740 -0.019 0.000 0.198 696 N C -0.378 175.099 175.510 -0.054 0.000 0.959 696 N CA 2.699 55.713 53.050 -0.059 0.000 0.915 696 N CB -0.181 38.279 38.487 -0.045 0.000 1.072 696 N HN 0.715 nan 8.380 nan 0.000 0.620 697 S N -2.349 113.324 115.700 -0.045 0.000 2.446 697 S HA 0.570 5.029 4.470 -0.019 0.000 0.230 697 S C -1.164 173.419 174.600 -0.027 0.000 1.051 697 S CA -0.482 57.697 58.200 -0.035 0.000 1.113 697 S CB 1.074 64.265 63.200 -0.014 0.000 1.184 697 S HN 0.154 nan 8.310 nan 0.000 0.435 698 T N 2.923 117.457 114.554 -0.034 0.000 3.153 698 T HA 0.093 4.432 4.350 -0.019 0.000 0.427 698 T C -1.343 173.331 174.700 -0.044 0.000 1.464 698 T CA -0.781 61.303 62.100 -0.027 0.000 1.005 698 T CB 0.056 68.911 68.868 -0.021 0.000 1.594 698 T HN 1.020 nan 8.240 nan 0.000 0.444 699 L N 3.937 125.134 121.223 -0.042 0.000 2.357 699 L HA 0.910 5.238 4.340 -0.019 0.000 0.273 699 L C 0.402 177.229 176.870 -0.073 0.000 1.080 699 L CA 0.433 55.233 54.840 -0.068 0.000 0.803 699 L CB 1.380 43.396 42.059 -0.071 0.000 1.174 699 L HN 0.960 nan 8.230 nan 0.000 0.443 700 T N 2.606 117.098 114.554 -0.102 0.000 2.792 700 T HA 0.731 5.070 4.350 -0.019 0.000 0.303 700 T C -1.013 173.597 174.700 -0.150 0.000 1.310 700 T CA -0.770 61.270 62.100 -0.099 0.000 1.007 700 T CB 1.540 70.363 68.868 -0.074 0.000 1.335 700 T HN 0.734 nan 8.240 nan 0.000 0.504 701 I N -1.789 118.690 120.570 -0.151 0.000 2.731 701 I HA 0.859 5.018 4.170 -0.019 0.000 0.289 701 I C -0.333 175.603 176.117 -0.301 0.000 1.399 701 I CA -0.636 60.541 61.300 -0.205 0.000 1.048 701 I CB 1.174 39.027 38.000 -0.244 0.000 1.345 701 I HN 1.373 nan 8.210 nan 0.000 0.425 702 G N 3.011 111.629 108.800 -0.304 0.000 2.356 702 G HA2 0.570 4.519 3.960 -0.019 0.000 0.294 702 G HA3 0.570 4.519 3.960 -0.019 0.000 0.294 702 G C -0.806 174.010 174.900 -0.139 0.000 1.423 702 G CA 0.088 44.970 45.100 -0.363 0.000 0.806 702 G HN 1.028 nan 8.290 nan 0.000 0.527 703 T N -1.895 112.672 114.554 0.020 0.000 2.852 703 T HA 0.774 5.112 4.350 -0.019 0.000 0.281 703 T C 0.112 174.840 174.700 0.046 0.000 0.993 703 T CA -0.610 61.536 62.100 0.076 0.000 0.933 703 T CB 1.066 70.014 68.868 0.134 0.000 1.187 703 T HN 0.521 nan 8.240 nan 0.000 0.559 704 I N 0.778 121.378 120.570 0.050 0.000 2.892 704 I HA 0.491 4.650 4.170 -0.019 0.000 0.306 704 I C -0.246 175.898 176.117 0.045 0.000 1.078 704 I CA -0.867 60.432 61.300 -0.001 0.000 1.032 704 I CB 1.914 39.909 38.000 -0.008 0.000 1.229 704 I HN 0.725 nan 8.210 nan 0.000 0.435 705 D N 1.779 122.171 120.400 -0.014 0.000 2.478 705 D HA 0.198 4.826 4.640 -0.019 0.000 0.269 705 D C 0.820 177.105 176.300 -0.025 0.000 1.232 705 D CA -0.393 53.570 54.000 -0.062 0.000 1.059 705 D CB 0.931 41.622 40.800 -0.182 0.000 1.104 705 D HN 0.521 nan 8.370 nan 0.000 0.566 706 E N -0.569 119.589 120.200 -0.070 0.000 1.905 706 E HA -0.142 4.196 4.350 -0.019 0.000 0.218 706 E C 1.302 177.790 176.600 -0.187 0.000 0.928 706 E CA 2.897 59.268 56.400 -0.048 0.000 0.928 706 E CB 0.105 29.822 29.700 0.029 0.000 0.815 706 E HN 0.608 nan 8.360 nan 0.000 0.590 707 I N -5.555 114.854 120.570 -0.269 0.000 2.822 707 I HA 0.006 4.165 4.170 -0.019 0.000 0.267 707 I C -0.331 175.600 176.117 -0.310 0.000 0.962 707 I CA -0.576 60.354 61.300 -0.618 0.000 1.796 707 I CB -0.434 36.746 38.000 -1.367 0.000 2.069 707 I HN 0.203 nan 8.210 nan 0.000 0.337 708 Q N 3.693 123.357 119.800 -0.227 0.000 3.322 708 Q HA -0.242 4.087 4.340 -0.019 0.000 0.397 708 Q C 1.114 177.080 176.000 -0.056 0.000 1.138 708 Q CA 1.532 57.272 55.803 -0.105 0.000 1.076 708 Q CB 0.516 29.221 28.738 -0.055 0.000 1.246 708 Q HN 0.469 nan 8.270 nan 0.000 0.551 709 K N 2.769 123.149 120.400 -0.033 0.000 2.206 709 K HA -0.212 4.096 4.320 -0.019 0.000 0.211 709 K C -0.065 176.526 176.600 -0.015 0.000 1.047 709 K CA 1.765 58.040 56.287 -0.020 0.000 0.933 709 K CB -0.096 32.390 32.500 -0.023 0.000 0.721 709 K HN 0.572 nan 8.250 nan 0.000 0.471 710 L N -0.291 120.926 121.223 -0.010 0.000 2.362 710 L HA 0.333 4.662 4.340 -0.019 0.000 0.271 710 L C -0.412 176.483 176.870 0.041 0.000 1.002 710 L CA -1.340 53.505 54.840 0.008 0.000 0.818 710 L CB 1.504 43.556 42.059 -0.011 0.000 1.298 710 L HN -0.007 nan 8.230 nan 0.000 0.420 711 H N 2.377 121.422 119.070 -0.042 0.000 2.502 711 H HA 0.602 5.147 4.556 -0.019 0.000 0.327 711 H C -1.064 174.239 175.328 -0.042 0.000 1.099 711 H CA -0.212 55.813 56.048 -0.039 0.000 1.323 711 H CB 1.094 30.840 29.762 -0.026 0.000 1.450 711 H HN 0.456 nan 8.280 nan 0.000 0.502 712 I N 5.738 125.926 120.570 -0.638 0.000 2.382 712 I HA 0.289 4.448 4.170 -0.019 0.000 0.285 712 I C 0.394 176.119 176.117 -0.654 0.000 1.007 712 I CA -0.641 60.363 61.300 -0.494 0.000 1.142 712 I CB 1.189 39.019 38.000 -0.284 0.000 1.289 712 I HN 0.534 nan 8.210 nan 0.000 0.453 713 R N 3.637 123.857 120.500 -0.466 0.000 2.652 713 R HA 0.563 4.891 4.340 -0.019 0.000 0.272 713 R C -0.510 175.642 176.300 -0.248 0.000 1.162 713 R CA 0.096 56.026 56.100 -0.284 0.000 1.199 713 R CB 0.897 31.111 30.300 -0.144 0.000 1.166 713 R HN 0.565 nan 8.270 nan 0.000 0.597 714 T N 0.005 114.442 114.554 -0.196 0.000 2.906 714 T HA 0.556 4.894 4.350 -0.019 0.000 0.295 714 T C -1.499 173.082 174.700 -0.198 0.000 1.075 714 T CA -0.600 61.391 62.100 -0.182 0.000 1.005 714 T CB 1.958 70.754 68.868 -0.120 0.000 1.136 714 T HN 0.287 nan 8.240 nan 0.000 0.498 715 V N 2.656 122.453 119.914 -0.194 0.000 3.566 715 V HA 0.222 4.331 4.120 -0.019 0.000 0.254 715 V C -2.925 173.050 176.094 -0.198 0.000 0.864 715 V CA -1.328 60.867 62.300 -0.174 0.000 1.124 715 V CB 1.268 32.950 31.823 -0.234 0.000 0.884 715 V HN 0.642 nan 8.190 nan 0.000 0.504 716 P HA 0.302 nan 4.420 nan 0.000 0.271 716 P C 0.760 177.757 177.300 -0.505 0.000 1.233 716 P CA 0.281 63.105 63.100 -0.459 0.000 0.764 716 P CB 0.916 32.274 31.700 -0.571 0.000 0.825 717 L N 2.745 123.701 121.223 -0.445 0.000 2.463 717 L HA 0.063 4.391 4.340 -0.019 0.000 0.219 717 L C 0.531 177.316 176.870 -0.141 0.000 1.088 717 L CA 0.279 54.984 54.840 -0.224 0.000 0.849 717 L CB -0.374 41.599 42.059 -0.143 0.000 1.012 717 L HN 0.457 nan 8.230 nan 0.000 0.468 718 Y N -0.330 119.955 120.300 -0.024 0.000 4.916 718 Y HA -0.362 4.177 4.550 -0.019 0.000 0.247 718 Y C 0.991 176.891 175.900 0.001 0.000 0.962 718 Y CA 1.064 59.159 58.100 -0.009 0.000 1.933 718 Y CB -1.583 36.874 38.460 -0.006 0.000 1.451 718 Y HN 0.515 nan 8.280 nan 0.000 0.539 719 E N 0.242 120.473 120.200 0.051 0.000 2.437 719 E HA 0.712 5.050 4.350 -0.019 0.000 0.253 719 E C -0.725 175.836 176.600 -0.065 0.000 0.905 719 E CA -0.452 55.964 56.400 0.028 0.000 0.871 719 E CB 1.693 31.410 29.700 0.029 0.000 1.649 719 E HN 0.010 nan 8.360 nan 0.000 0.422 720 S N 1.368 117.000 115.700 -0.113 0.000 2.498 720 S HA 0.468 4.927 4.470 -0.019 0.000 0.324 720 S C -2.359 172.134 174.600 -0.178 0.000 1.071 720 S CA -1.362 56.718 58.200 -0.200 0.000 1.113 720 S CB 0.975 63.969 63.200 -0.343 0.000 0.976 720 S HN 0.349 nan 8.310 nan 0.000 0.462 721 P HA 0.400 nan 4.420 nan 0.000 0.274 721 P C -0.098 177.128 177.300 -0.124 0.000 1.246 721 P CA -0.577 62.447 63.100 -0.127 0.000 0.795 721 P CB 1.067 32.693 31.700 -0.123 0.000 1.006 722 R N -0.284 120.163 120.500 -0.087 0.000 2.716 722 R HA 0.265 4.593 4.340 -0.019 0.000 0.186 722 R C 0.354 176.642 176.300 -0.020 0.000 0.830 722 R CA 0.436 56.501 56.100 -0.059 0.000 1.059 722 R CB 0.198 30.471 30.300 -0.046 0.000 1.531 722 R HN 0.420 nan 8.270 nan 0.000 0.633 723 K N 0.740 121.134 120.400 -0.010 0.000 2.444 723 K HA 0.542 4.851 4.320 -0.019 0.000 0.252 723 K C -1.147 175.453 176.600 0.000 0.000 0.993 723 K CA -0.734 55.561 56.287 0.013 0.000 0.847 723 K CB 2.655 35.182 32.500 0.045 0.000 1.340 723 K HN -0.018 nan 8.250 nan 0.000 0.446 724 I N 0.231 120.814 120.570 0.023 0.000 2.644 724 I HA 0.332 4.491 4.170 -0.019 0.000 0.291 724 I C -1.663 174.523 176.117 0.115 0.000 1.180 724 I CA -0.421 60.892 61.300 0.022 0.000 1.040 724 I CB 1.362 39.320 38.000 -0.070 0.000 1.255 724 I HN 0.528 nan 8.210 nan 0.000 0.422 725 C N 6.245 125.672 119.300 0.211 0.000 2.441 725 C HA 0.446 4.895 4.460 -0.019 0.000 0.318 725 C C -0.898 174.463 174.990 0.618 0.000 1.222 725 C CA -0.530 58.708 59.018 0.367 0.000 1.474 725 C CB 1.320 29.286 27.740 0.377 0.000 2.125 725 C HN 0.625 nan 8.230 nan 0.000 0.479 726 Y N 3.204 123.763 120.300 0.431 0.000 2.367 726 Y HA 0.423 4.962 4.550 -0.019 0.000 0.342 726 Y C 0.241 176.242 175.900 0.169 0.000 0.979 726 Y CA 0.000 58.310 58.100 0.350 0.000 1.161 726 Y CB 0.550 39.229 38.460 0.365 0.000 1.155 726 Y HN 0.721 nan 8.280 nan 0.000 0.503 727 Q N 6.070 125.669 119.800 -0.334 0.000 2.466 727 Q HA 0.127 4.456 4.340 -0.019 0.000 0.242 727 Q C 0.870 176.421 176.000 -0.750 0.000 1.046 727 Q CA -0.257 55.259 55.803 -0.478 0.000 0.841 727 Q CB 0.763 29.228 28.738 -0.455 0.000 1.193 727 Q HN 0.916 nan 8.270 nan 0.000 0.508 728 E N 3.359 123.048 120.200 -0.852 0.000 2.072 728 E HA -0.153 4.186 4.350 -0.019 0.000 0.190 728 E C 1.519 177.920 176.600 -0.331 0.000 0.982 728 E CA 1.792 57.739 56.400 -0.755 0.000 0.803 728 E CB 0.057 29.507 29.700 -0.417 0.000 0.755 728 E HN 0.628 nan 8.360 nan 0.000 0.453 729 V N 0.396 120.158 119.914 -0.254 0.000 2.317 729 V HA -0.233 3.875 4.120 -0.019 0.000 0.251 729 V C 2.040 178.055 176.094 -0.133 0.000 1.065 729 V CA 2.435 64.637 62.300 -0.163 0.000 1.049 729 V CB -1.027 30.700 31.823 -0.159 0.000 0.651 729 V HN 0.212 nan 8.190 nan 0.000 0.450 730 S N -0.419 115.187 115.700 -0.156 0.000 2.575 730 S HA 0.147 4.606 4.470 -0.019 0.000 0.215 730 S C 0.771 175.345 174.600 -0.044 0.000 0.966 730 S CA 0.319 58.488 58.200 -0.052 0.000 0.911 730 S CB -0.143 63.078 63.200 0.034 0.000 0.780 730 S HN 0.723 nan 8.310 nan 0.000 0.514 731 Q N -0.047 119.671 119.800 -0.137 0.000 2.434 731 Q HA -0.204 4.124 4.340 -0.019 0.000 0.299 731 Q C 0.206 176.118 176.000 -0.147 0.000 1.286 731 Q CA 1.044 56.781 55.803 -0.110 0.000 0.872 731 Q CB -2.786 25.954 28.738 0.005 0.000 1.193 731 Q HN 0.905 nan 8.270 nan 0.000 0.466 732 C N -3.566 115.615 119.300 -0.199 0.000 3.318 732 C HA 0.879 5.328 4.460 -0.019 0.000 0.329 732 C C -0.263 174.621 174.990 -0.178 0.000 1.449 732 C CA -1.315 57.585 59.018 -0.197 0.000 1.397 732 C CB 1.607 29.303 27.740 -0.073 0.000 1.810 732 C HN 0.201 nan 8.230 nan 0.000 0.449 733 F N 0.463 120.508 119.950 0.159 0.000 2.508 733 F HA 0.643 5.159 4.527 -0.019 0.000 0.325 733 F C 0.930 176.733 175.800 0.004 0.000 1.090 733 F CA -0.088 58.023 58.000 0.184 0.000 0.945 733 F CB 2.185 41.290 39.000 0.174 0.000 1.156 733 F HN 1.026 nan 8.300 nan 0.000 0.463 734 G N 1.582 110.446 108.800 0.106 0.000 2.356 734 G HA2 0.591 4.540 3.960 -0.019 0.000 0.322 734 G HA3 0.591 4.540 3.960 -0.019 0.000 0.322 734 G C -1.684 173.135 174.900 -0.134 0.000 1.125 734 G CA -0.537 44.320 45.100 -0.405 0.000 0.885 734 G HN 0.488 nan 8.290 nan 0.000 0.467 735 V N 3.378 123.204 119.914 -0.146 0.000 2.668 735 V HA 0.349 4.458 4.120 -0.019 0.000 0.304 735 V C -0.107 175.947 176.094 -0.066 0.000 1.071 735 V CA -0.640 61.618 62.300 -0.071 0.000 0.894 735 V CB 1.752 33.548 31.823 -0.044 0.000 1.008 735 V HN 0.660 nan 8.190 nan 0.000 0.425 736 L N 4.388 125.594 121.223 -0.027 0.000 2.350 736 L HA 0.772 5.100 4.340 -0.019 0.000 0.275 736 L C 0.401 177.256 176.870 -0.025 0.000 1.099 736 L CA 0.102 54.955 54.840 0.022 0.000 0.808 736 L CB 1.703 43.802 42.059 0.066 0.000 1.149 736 L HN 0.850 nan 8.230 nan 0.000 0.442 737 S N 0.824 116.501 115.700 -0.038 0.000 2.638 737 S HA 0.773 5.231 4.470 -0.019 0.000 0.274 737 S C -0.805 173.665 174.600 -0.218 0.000 1.157 737 S CA -0.720 57.414 58.200 -0.109 0.000 0.826 737 S CB 2.126 65.282 63.200 -0.073 0.000 1.139 737 S HN 0.631 nan 8.310 nan 0.000 0.474 738 S N 0.391 115.944 115.700 -0.246 0.000 2.546 738 S HA 0.750 5.209 4.470 -0.019 0.000 0.272 738 S C -0.994 173.538 174.600 -0.113 0.000 1.140 738 S CA -0.935 57.057 58.200 -0.346 0.000 0.920 738 S CB 1.324 64.172 63.200 -0.587 0.000 1.083 738 S HN 1.207 nan 8.310 nan 0.000 0.476 739 R N 2.712 123.200 120.500 -0.020 0.000 2.807 739 R HA 0.753 5.082 4.340 -0.019 0.000 0.276 739 R C -1.235 175.121 176.300 0.093 0.000 0.979 739 R CA -0.996 55.134 56.100 0.050 0.000 0.928 739 R CB 1.082 31.410 30.300 0.047 0.000 1.191 739 R HN 0.578 nan 8.270 nan 0.000 0.471 740 I N 1.090 121.726 120.570 0.109 0.000 2.488 740 I HA 0.295 4.454 4.170 -0.019 0.000 0.299 740 I C 0.041 176.202 176.117 0.075 0.000 0.984 740 I CA -0.300 61.062 61.300 0.103 0.000 1.250 740 I CB 1.707 39.763 38.000 0.094 0.000 1.389 740 I HN 0.670 nan 8.210 nan 0.000 0.488 741 E N 3.206 123.448 120.200 0.070 0.000 2.433 741 E HA 0.605 4.944 4.350 -0.019 0.000 0.273 741 E C -1.580 175.046 176.600 0.044 0.000 0.950 741 E CA -0.838 55.592 56.400 0.051 0.000 0.796 741 E CB 2.889 32.621 29.700 0.052 0.000 1.330 741 E HN 0.348 nan 8.360 nan 0.000 0.455 742 V N -1.162 118.771 119.914 0.033 0.000 2.864 742 V HA 0.432 4.541 4.120 -0.019 0.000 0.314 742 V C -0.054 176.057 176.094 0.028 0.000 1.073 742 V CA -0.981 61.337 62.300 0.029 0.000 0.956 742 V CB 1.483 33.318 31.823 0.020 0.000 1.023 742 V HN 0.836 nan 8.190 nan 0.000 0.435 743 Q N 1.556 121.373 119.800 0.029 0.000 2.498 743 Q HA 0.022 4.351 4.340 -0.019 0.000 0.299 743 Q C -0.793 175.220 176.000 0.021 0.000 1.178 743 Q CA 0.739 56.558 55.803 0.026 0.000 0.997 743 Q CB 0.421 29.174 28.738 0.026 0.000 1.306 743 Q HN 0.858 nan 8.270 nan 0.000 0.468 744 D N 0.049 120.461 120.400 0.020 0.000 2.494 744 D HA 0.230 4.859 4.640 -0.019 0.000 0.256 744 D C 0.666 176.975 176.300 0.015 0.000 1.197 744 D CA 0.602 54.612 54.000 0.016 0.000 1.096 744 D CB 0.830 41.639 40.800 0.016 0.000 1.191 744 D HN 0.787 nan 8.370 nan 0.000 0.608 745 T N -3.102 111.459 114.554 0.013 0.000 3.003 745 T HA 0.043 4.382 4.350 -0.019 0.000 0.261 745 T C 1.290 175.997 174.700 0.012 0.000 1.003 745 T CA 0.273 62.380 62.100 0.012 0.000 0.917 745 T CB -0.101 68.773 68.868 0.010 0.000 1.084 745 T HN 0.173 nan 8.240 nan 0.000 0.522 746 S N 0.668 116.376 115.700 0.013 0.000 2.593 746 S HA 0.456 4.914 4.470 -0.019 0.000 0.217 746 S C 2.127 176.737 174.600 0.016 0.000 0.966 746 S CA 0.533 58.741 58.200 0.014 0.000 0.914 746 S CB -0.725 62.483 63.200 0.014 0.000 0.776 746 S HN 1.046 nan 8.310 nan 0.000 0.523 747 G N 1.208 110.018 108.800 0.017 0.000 2.609 747 G HA2 -0.266 3.682 3.960 -0.019 0.000 0.235 747 G HA3 -0.266 3.682 3.960 -0.019 0.000 0.235 747 G C 0.739 175.653 174.900 0.023 0.000 1.177 747 G CA 0.161 45.273 45.100 0.020 0.000 0.707 747 G HN 1.308 nan 8.290 nan 0.000 0.513 748 G N 0.650 109.463 108.800 0.022 0.000 2.760 748 G HA2 0.483 4.431 3.960 -0.019 0.000 0.236 748 G HA3 0.483 4.431 3.960 -0.019 0.000 0.236 748 G C 0.553 175.468 174.900 0.025 0.000 1.243 748 G CA 1.294 46.408 45.100 0.024 0.000 0.850 748 G HN 1.559 nan 8.290 nan 0.000 0.595 749 T N -1.709 112.861 114.554 0.028 0.000 2.875 749 T HA 0.580 4.918 4.350 -0.019 0.000 0.284 749 T C 1.108 175.823 174.700 0.026 0.000 0.995 749 T CA 0.007 62.125 62.100 0.030 0.000 1.060 749 T CB 1.721 70.613 68.868 0.039 0.000 0.967 749 T HN 0.604 nan 8.240 nan 0.000 0.476 750 T N 0.313 114.881 114.554 0.024 0.000 3.480 750 T HA 0.713 5.051 4.350 -0.019 0.000 0.229 750 T C 0.796 175.508 174.700 0.019 0.000 0.944 750 T CA 0.136 62.247 62.100 0.018 0.000 1.388 750 T CB -0.449 68.427 68.868 0.014 0.000 1.180 750 T HN 1.764 nan 8.240 nan 0.000 0.414 751 A N -0.383 122.449 122.820 0.020 0.000 2.625 751 A HA 0.417 4.725 4.320 -0.019 0.000 0.330 751 A C -0.522 177.070 177.584 0.014 0.000 0.829 751 A CA -0.412 51.637 52.037 0.020 0.000 0.560 751 A CB -0.703 18.306 19.000 0.016 0.000 1.504 751 A HN 0.417 nan 8.150 nan 0.000 0.428 752 L N -0.341 120.891 121.223 0.014 0.000 2.840 752 L HA 0.445 4.774 4.340 -0.019 0.000 0.249 752 L C 0.881 177.749 176.870 -0.003 0.000 1.119 752 L CA 0.812 55.656 54.840 0.007 0.000 0.930 752 L CB 0.177 42.242 42.059 0.009 0.000 1.295 752 L HN 0.917 nan 8.230 nan 0.000 0.534 753 R N -0.251 120.247 120.500 -0.003 0.000 2.741 753 R HA 0.457 4.785 4.340 -0.019 0.000 0.276 753 R C -3.152 173.130 176.300 -0.030 0.000 1.028 753 R CA -1.313 54.771 56.100 -0.027 0.000 0.865 753 R CB 0.437 30.717 30.300 -0.033 0.000 1.268 753 R HN -0.338 nan 8.270 nan 0.000 0.475 754 P HA 0.274 nan 4.420 nan 0.000 0.287 754 P C -0.791 176.484 177.300 -0.041 0.000 1.294 754 P CA -0.265 62.799 63.100 -0.061 0.000 0.776 754 P CB 1.589 33.233 31.700 -0.094 0.000 0.889 755 S N 1.613 117.327 115.700 0.024 0.000 2.647 755 S HA 0.529 4.987 4.470 -0.019 0.000 0.284 755 S C 1.525 176.187 174.600 0.104 0.000 1.134 755 S CA -0.107 58.150 58.200 0.094 0.000 1.027 755 S CB 0.517 63.757 63.200 0.066 0.000 1.180 755 S HN 0.480 nan 8.310 nan 0.000 0.521 756 A N 0.670 123.553 122.820 0.106 0.000 2.081 756 A HA 0.060 4.368 4.320 -0.019 0.000 0.214 756 A C 2.034 179.631 177.584 0.023 0.000 1.158 756 A CA 0.990 53.070 52.037 0.072 0.000 0.724 756 A CB -0.868 18.167 19.000 0.058 0.000 0.826 756 A HN 0.672 nan 8.150 nan 0.000 0.463 757 S N -0.060 115.645 115.700 0.007 0.000 2.428 757 S HA -0.134 4.325 4.470 -0.019 0.000 0.230 757 S C 1.855 176.438 174.600 -0.027 0.000 1.014 757 S CA 1.687 59.871 58.200 -0.026 0.000 0.957 757 S CB -0.858 62.327 63.200 -0.025 0.000 0.784 757 S HN 0.749 nan 8.310 nan 0.000 0.499 758 T N -1.508 113.042 114.554 -0.006 0.000 3.040 758 T HA 0.153 4.491 4.350 -0.019 0.000 0.252 758 T C 1.386 176.085 174.700 -0.002 0.000 1.064 758 T CA 0.020 62.115 62.100 -0.007 0.000 1.110 758 T CB -0.129 68.738 68.868 -0.002 0.000 0.921 758 T HN 0.138 nan 8.240 nan 0.000 0.480 759 Q N 1.409 121.214 119.800 0.008 0.000 2.280 759 Q HA 0.537 4.866 4.340 -0.019 0.000 0.202 759 Q C 0.741 176.755 176.000 0.023 0.000 0.903 759 Q CA -0.111 55.701 55.803 0.014 0.000 0.948 759 Q CB -0.176 28.573 28.738 0.019 0.000 1.058 759 Q HN 0.741 nan 8.270 nan 0.000 0.493 760 A N 0.655 123.483 122.820 0.013 0.000 2.555 760 A HA 0.036 4.345 4.320 -0.019 0.000 0.233 760 A C 1.233 178.840 177.584 0.040 0.000 1.060 760 A CA -0.010 52.036 52.037 0.015 0.000 0.759 760 A CB 0.204 19.188 19.000 -0.026 0.000 0.995 760 A HN 0.426 nan 8.150 nan 0.000 0.506 761 L N 1.264 122.524 121.223 0.062 0.000 2.201 761 L HA -0.053 4.276 4.340 -0.019 0.000 0.212 761 L C 1.267 178.196 176.870 0.098 0.000 1.105 761 L CA 1.480 56.366 54.840 0.077 0.000 0.775 761 L CB -0.652 41.457 42.059 0.084 0.000 0.913 761 L HN 0.946 nan 8.230 nan 0.000 0.440 762 S N -1.827 113.960 115.700 0.145 0.000 2.672 762 S HA 0.669 5.127 4.470 -0.019 0.000 0.271 762 S C -0.639 174.118 174.600 0.260 0.000 1.171 762 S CA -0.192 58.133 58.200 0.207 0.000 0.817 762 S CB 2.227 65.573 63.200 0.242 0.000 1.150 762 S HN 0.094 nan 8.310 nan 0.000 0.478 763 S N -0.149 115.745 115.700 0.323 0.000 2.580 763 S HA 0.728 5.187 4.470 -0.019 0.000 0.281 763 S C -1.279 173.456 174.600 0.224 0.000 1.129 763 S CA -0.580 57.670 58.200 0.084 0.000 0.862 763 S CB 1.043 64.219 63.200 -0.041 0.000 1.090 763 S HN 1.169 nan 8.310 nan 0.000 0.451 764 S N 1.053 116.772 115.700 0.032 0.000 2.638 764 S HA 0.887 5.346 4.470 -0.019 0.000 0.302 764 S C -0.784 173.680 174.600 -0.226 0.000 1.096 764 S CA -0.709 57.535 58.200 0.072 0.000 0.953 764 S CB 1.714 65.158 63.200 0.407 0.000 1.107 764 S HN 1.277 nan 8.310 nan 0.000 0.503 765 V N 0.579 120.368 119.914 -0.208 0.000 3.046 765 V HA 0.678 4.786 4.120 -0.019 0.000 0.316 765 V C -0.065 175.843 176.094 -0.310 0.000 1.104 765 V CA -0.632 61.456 62.300 -0.353 0.000 1.006 765 V CB 2.241 33.980 31.823 -0.141 0.000 1.058 765 V HN 0.882 nan 8.190 nan 0.000 0.440 766 S N 1.545 117.085 115.700 -0.268 0.000 2.531 766 S HA 0.271 4.730 4.470 -0.019 0.000 0.279 766 S C 1.050 175.713 174.600 0.105 0.000 1.305 766 S CA 0.324 58.601 58.200 0.128 0.000 1.058 766 S CB 1.021 64.387 63.200 0.278 0.000 0.899 766 S HN 1.149 nan 8.310 nan 0.000 0.493 767 S N 3.466 119.246 115.700 0.134 0.000 2.620 767 S HA 0.156 4.614 4.470 -0.019 0.000 0.234 767 S C 0.790 175.431 174.600 0.068 0.000 1.064 767 S CA 0.613 58.864 58.200 0.085 0.000 0.920 767 S CB -0.829 62.418 63.200 0.078 0.000 0.826 767 S HN 1.067 nan 8.310 nan 0.000 0.557 768 S N 1.812 117.548 115.700 0.061 0.000 3.658 768 S HA -0.143 4.316 4.470 -0.019 0.000 0.437 768 S C 0.061 174.660 174.600 -0.002 0.000 1.120 768 S CA 0.515 58.727 58.200 0.021 0.000 0.854 768 S CB -0.126 63.089 63.200 0.026 0.000 0.724 768 S HN 0.559 nan 8.310 nan 0.000 0.438 769 K N 4.473 124.841 120.400 -0.054 0.000 2.792 769 K HA 0.253 4.562 4.320 -0.019 0.000 0.207 769 K C 0.992 177.506 176.600 -0.144 0.000 1.103 769 K CA -0.241 56.013 56.287 -0.055 0.000 1.048 769 K CB 0.012 32.497 32.500 -0.025 0.000 0.777 769 K HN 0.687 nan 8.250 nan 0.000 0.468 770 L N 0.049 121.075 121.223 -0.328 0.000 2.456 770 L HA 0.027 4.356 4.340 -0.019 0.000 0.224 770 L C 0.225 176.644 176.870 -0.751 0.000 1.148 770 L CA 1.279 55.732 54.840 -0.645 0.000 0.825 770 L CB -0.081 41.359 42.059 -1.031 0.000 0.937 770 L HN 0.061 nan 8.230 nan 0.000 0.450 771 F N -3.234 116.733 119.950 0.028 0.000 2.631 771 F HA 0.351 4.867 4.527 -0.019 0.000 0.328 771 F C 0.915 176.730 175.800 0.025 0.000 1.067 771 F CA -0.713 57.303 58.000 0.028 0.000 0.969 771 F CB 1.721 40.744 39.000 0.038 0.000 1.332 771 F HN -0.427 nan 8.300 nan 0.000 0.490 772 S N -0.627 115.204 115.700 0.219 0.000 3.829 772 S HA 0.123 4.582 4.470 -0.019 0.000 0.201 772 S C 0.136 174.785 174.600 0.080 0.000 1.005 772 S CA 0.206 58.473 58.200 0.112 0.000 0.935 772 S CB 0.162 63.409 63.200 0.078 0.000 1.181 772 S HN 0.652 nan 8.310 nan 0.000 0.622 784 E N 1.427 121.641 120.200 0.023 0.000 2.467 784 E HA 0.349 4.688 4.350 -0.019 0.000 0.264 784 E C -0.509 176.111 176.600 0.035 0.000 1.020 784 E CA 0.674 57.092 56.400 0.030 0.000 0.945 784 E CB 0.816 30.537 29.700 0.035 0.000 0.942 784 E HN 0.341 nan 8.360 nan 0.000 0.449 785 E N 1.590 121.815 120.200 0.040 0.000 2.129 785 E HA 0.306 4.644 4.350 -0.019 0.000 0.268 785 E C -1.238 175.406 176.600 0.074 0.000 0.900 785 E CA -0.456 55.972 56.400 0.048 0.000 0.755 785 E CB 1.920 31.640 29.700 0.033 0.000 1.117 785 E HN 0.112 nan 8.360 nan 0.000 0.410 786 V N 3.225 123.190 119.914 0.085 0.000 2.881 786 V HA 0.278 4.387 4.120 -0.019 0.000 0.316 786 V C -0.585 175.607 176.094 0.163 0.000 1.070 786 V CA -0.540 61.833 62.300 0.120 0.000 0.976 786 V CB 2.103 33.980 31.823 0.088 0.000 1.038 786 V HN 0.636 nan 8.190 nan 0.000 0.446 787 E N 2.106 122.465 120.200 0.265 0.000 2.231 787 E HA 0.570 4.908 4.350 -0.019 0.000 0.277 787 E C -1.478 175.337 176.600 0.359 0.000 0.999 787 E CA -0.489 56.110 56.400 0.332 0.000 0.827 787 E CB 2.135 32.129 29.700 0.491 0.000 1.101 787 E HN 0.453 nan 8.360 nan 0.000 0.393 788 V N 3.482 123.563 119.914 0.278 0.000 2.487 788 V HA 0.239 4.348 4.120 -0.019 0.000 0.298 788 V C -0.418 175.847 176.094 0.285 0.000 1.028 788 V CA -0.741 61.717 62.300 0.264 0.000 0.860 788 V CB 1.475 33.383 31.823 0.141 0.000 0.991 788 V HN 0.659 nan 8.190 nan 0.000 0.427 789 H N 4.018 123.221 119.070 0.220 0.000 2.472 789 H HA 0.556 5.101 4.556 -0.019 0.000 0.338 789 H C -0.842 174.690 175.328 0.340 0.000 1.133 789 H CA -0.622 55.594 56.048 0.279 0.000 1.216 789 H CB 2.130 32.089 29.762 0.329 0.000 1.497 789 H HN 0.635 nan 8.280 nan 0.000 0.500 790 N N 1.866 120.749 118.700 0.306 0.000 2.284 790 N HA 0.134 4.863 4.740 -0.019 0.000 0.289 790 N C -1.413 174.187 175.510 0.151 0.000 1.179 790 N CA -0.791 52.342 53.050 0.139 0.000 0.774 790 N CB 3.097 41.574 38.487 -0.017 0.000 1.548 790 N HN 0.243 nan 8.380 nan 0.000 0.473 791 L N 2.130 123.351 121.223 -0.003 0.000 2.265 791 L HA 0.512 4.841 4.340 -0.019 0.000 0.289 791 L C -1.080 175.673 176.870 -0.194 0.000 1.033 791 L CA -0.295 54.492 54.840 -0.089 0.000 0.814 791 L CB 0.391 42.324 42.059 -0.209 0.000 1.203 791 L HN 0.390 nan 8.230 nan 0.000 0.423 792 L N 5.576 126.698 121.223 -0.168 0.000 2.343 792 L HA 0.516 4.845 4.340 -0.019 0.000 0.275 792 L C -0.470 176.282 176.870 -0.195 0.000 1.056 792 L CA -0.746 54.002 54.840 -0.153 0.000 0.804 792 L CB 1.604 43.613 42.059 -0.083 0.000 1.203 792 L HN 0.457 nan 8.230 nan 0.000 0.440 793 I N 3.657 124.124 120.570 -0.172 0.000 2.382 793 I HA 0.336 4.495 4.170 -0.019 0.000 0.285 793 I C -0.395 175.659 176.117 -0.106 0.000 1.007 793 I CA -0.354 60.813 61.300 -0.222 0.000 1.142 793 I CB 1.642 39.365 38.000 -0.462 0.000 1.289 793 I HN 0.375 nan 8.210 nan 0.000 0.453 794 I N 5.026 125.589 120.570 -0.011 0.000 2.354 794 I HA 0.180 4.339 4.170 -0.019 0.000 0.292 794 I C 0.353 176.473 176.117 0.004 0.000 0.989 794 I CA -0.367 60.981 61.300 0.079 0.000 1.188 794 I CB 1.309 39.467 38.000 0.263 0.000 1.342 794 I HN 0.444 nan 8.210 nan 0.000 0.457 795 D N 4.081 124.453 120.400 -0.046 0.000 2.450 795 D HA 0.004 4.633 4.640 -0.019 0.000 0.247 795 D C 1.252 177.289 176.300 -0.438 0.000 1.162 795 D CA 0.132 54.048 54.000 -0.139 0.000 0.879 795 D CB 0.903 41.672 40.800 -0.053 0.000 1.163 795 D HN 0.612 nan 8.370 nan 0.000 0.472 796 Q N 3.218 122.709 119.800 -0.514 0.000 2.226 796 Q HA -0.224 4.105 4.340 -0.019 0.000 0.204 796 Q C 0.728 176.130 176.000 -0.997 0.000 0.975 796 Q CA 1.223 56.513 55.803 -0.855 0.000 0.866 796 Q CB -0.031 28.276 28.738 -0.718 0.000 0.915 796 Q HN 0.641 nan 8.270 nan 0.000 0.440 797 H N 0.725 119.553 119.070 -0.404 0.000 2.370 797 H HA 0.027 4.572 4.556 -0.019 0.000 0.304 797 H C 2.109 177.348 175.328 -0.148 0.000 1.055 797 H CA 1.977 57.896 56.048 -0.215 0.000 1.373 797 H CB 0.062 29.770 29.762 -0.090 0.000 1.423 797 H HN 0.585 nan 8.280 nan 0.000 0.533 798 T N -2.191 112.355 114.554 -0.013 0.000 3.065 798 T HA 0.017 4.356 4.350 -0.019 0.000 0.252 798 T C 0.605 175.402 174.700 0.162 0.000 1.099 798 T CA -0.220 61.929 62.100 0.082 0.000 1.063 798 T CB -0.553 68.361 68.868 0.077 0.000 0.948 798 T HN 0.219 nan 8.240 nan 0.000 0.506 799 F N 1.640 121.652 119.950 0.103 0.000 3.090 799 F HA -0.171 4.345 4.527 -0.019 0.000 0.282 799 F C 0.306 176.150 175.800 0.073 0.000 0.923 799 F CA 0.302 58.359 58.000 0.095 0.000 0.977 799 F CB -2.039 37.010 39.000 0.081 0.000 0.954 799 F HN 0.364 nan 8.300 nan 0.000 0.695 800 E N 0.047 120.329 120.200 0.138 0.000 2.283 800 E HA 0.363 4.701 4.350 -0.019 0.000 0.278 800 E C 0.031 176.684 176.600 0.088 0.000 1.027 800 E CA -0.758 55.707 56.400 0.109 0.000 0.843 800 E CB 1.704 31.454 29.700 0.083 0.000 1.062 800 E HN 0.033 nan 8.360 nan 0.000 0.401 801 V N 5.882 125.844 119.914 0.079 0.000 2.415 801 V HA -0.102 4.007 4.120 -0.019 0.000 0.252 801 V C 1.503 177.628 176.094 0.052 0.000 1.043 801 V CA 0.514 62.843 62.300 0.048 0.000 1.149 801 V CB -1.103 30.739 31.823 0.031 0.000 1.143 801 V HN 0.702 nan 8.190 nan 0.000 0.478 802 L N 2.421 123.673 121.223 0.048 0.000 1.961 802 L HA -0.020 4.308 4.340 -0.019 0.000 0.210 802 L C 1.193 178.158 176.870 0.157 0.000 1.072 802 L CA 1.558 56.457 54.840 0.098 0.000 0.749 802 L CB -0.306 41.817 42.059 0.107 0.000 0.889 802 L HN 0.685 nan 8.230 nan 0.000 0.432 803 H N -1.260 117.800 119.070 -0.016 0.000 2.679 803 H HA 0.703 5.248 4.556 -0.019 0.000 0.367 803 H C -1.260 174.043 175.328 -0.042 0.000 1.162 803 H CA -0.802 55.251 56.048 0.008 0.000 1.181 803 H CB 1.757 31.569 29.762 0.084 0.000 1.693 803 H HN 0.109 nan 8.280 nan 0.000 0.538 804 A N 2.999 125.417 122.820 -0.670 0.000 2.359 804 A HA 0.401 4.709 4.320 -0.019 0.000 0.303 804 A C -1.617 175.585 177.584 -0.637 0.000 1.066 804 A CA -0.578 51.158 52.037 -0.501 0.000 0.730 804 A CB 0.502 19.343 19.000 -0.264 0.000 1.211 804 A HN 0.860 nan 8.150 nan 0.000 0.439 805 H N 1.357 120.110 119.070 -0.528 0.000 2.488 805 H HA 0.528 5.073 4.556 -0.019 0.000 0.322 805 H C -0.010 175.048 175.328 -0.449 0.000 1.078 805 H CA 0.044 55.829 56.048 -0.438 0.000 1.260 805 H CB 1.049 30.537 29.762 -0.457 0.000 1.425 805 H HN 0.759 nan 8.280 nan 0.000 0.471 806 Q N 4.780 124.161 119.800 -0.697 0.000 2.241 806 Q HA 0.285 4.613 4.340 -0.019 0.000 0.254 806 Q C -1.009 174.704 176.000 -0.479 0.000 0.917 806 Q CA -0.629 54.916 55.803 -0.431 0.000 0.919 806 Q CB 0.883 29.482 28.738 -0.231 0.000 1.237 806 Q HN 0.562 nan 8.270 nan 0.000 0.434 807 F N 1.526 121.498 119.950 0.036 0.000 2.348 807 F HA 0.326 4.841 4.527 -0.019 0.000 0.308 807 F C 0.495 176.325 175.800 0.051 0.000 1.175 807 F CA -0.893 57.170 58.000 0.105 0.000 1.080 807 F CB 0.593 39.685 39.000 0.154 0.000 1.341 807 F HN 0.397 nan 8.300 nan 0.000 0.518 808 L N 0.446 121.865 121.223 0.326 0.000 2.476 808 L HA 0.082 4.410 4.340 -0.019 0.000 0.264 808 L C 0.349 177.267 176.870 0.081 0.000 1.224 808 L CA -0.364 54.578 54.840 0.170 0.000 0.821 808 L CB 0.074 42.249 42.059 0.192 0.000 1.101 808 L HN 0.512 nan 8.230 nan 0.000 0.488 809 Q N 2.428 122.257 119.800 0.048 0.000 2.244 809 Q HA -0.062 4.266 4.340 -0.019 0.000 0.276 809 Q C -0.236 175.694 176.000 -0.117 0.000 1.122 809 Q CA 0.319 56.119 55.803 -0.004 0.000 0.920 809 Q CB 0.018 28.769 28.738 0.022 0.000 1.186 809 Q HN 0.612 nan 8.270 nan 0.000 0.393 810 N N 2.255 120.809 118.700 -0.243 0.000 2.967 810 N HA -0.182 4.547 4.740 -0.019 0.000 0.241 810 N C -0.885 174.175 175.510 -0.751 0.000 0.983 810 N CA 0.829 53.522 53.050 -0.595 0.000 0.918 810 N CB -0.645 37.423 38.487 -0.698 0.000 1.109 810 N HN 0.682 nan 8.380 nan 0.000 0.567 811 E N 0.622 120.564 120.200 -0.430 0.000 2.217 811 E HA 0.118 4.456 4.350 -0.019 0.000 0.279 811 E C -0.806 175.462 176.600 -0.554 0.000 1.068 811 E CA -0.180 55.978 56.400 -0.403 0.000 0.882 811 E CB 0.341 29.970 29.700 -0.118 0.000 1.039 811 E HN 0.020 nan 8.360 nan 0.000 0.418 812 Y N 1.581 121.541 120.300 -0.567 0.000 2.328 812 Y HA 0.392 4.931 4.550 -0.019 0.000 0.337 812 Y C 0.393 175.928 175.900 -0.608 0.000 1.008 812 Y CA -1.356 56.164 58.100 -0.967 0.000 1.129 812 Y CB 1.654 39.703 38.460 -0.685 0.000 1.185 812 Y HN 0.487 nan 8.280 nan 0.000 0.476 813 A N 4.898 127.554 122.820 -0.274 0.000 2.279 813 A HA 0.516 4.825 4.320 -0.019 0.000 0.306 813 A C 0.228 177.814 177.584 0.003 0.000 1.300 813 A CA -0.313 51.601 52.037 -0.204 0.000 0.925 813 A CB -0.125 18.742 19.000 -0.221 0.000 1.152 813 A HN 1.003 nan 8.150 nan 0.000 0.544 814 L N 1.859 123.051 121.223 -0.051 0.000 2.642 814 L HA 0.161 4.490 4.340 -0.019 0.000 0.233 814 L C 0.568 177.456 176.870 0.029 0.000 1.077 814 L CA 0.418 55.255 54.840 -0.004 0.000 0.879 814 L CB 0.227 42.236 42.059 -0.082 0.000 1.151 814 L HN 0.722 nan 8.230 nan 0.000 0.495 815 S N 0.230 115.941 115.700 0.018 0.000 2.569 815 S HA 0.754 5.213 4.470 -0.019 0.000 0.280 815 S C -1.090 173.553 174.600 0.071 0.000 1.111 815 S CA -0.669 57.564 58.200 0.055 0.000 0.887 815 S CB 2.934 66.167 63.200 0.054 0.000 1.095 815 S HN 0.010 nan 8.310 nan 0.000 0.476 816 L N 2.009 123.289 121.223 0.096 0.000 2.505 816 L HA 0.853 5.182 4.340 -0.019 0.000 0.266 816 L C -0.985 175.978 176.870 0.156 0.000 0.954 816 L CA -0.468 54.444 54.840 0.121 0.000 0.852 816 L CB 1.769 43.883 42.059 0.091 0.000 1.282 816 L HN 1.017 nan 8.230 nan 0.000 0.403 817 V N 1.503 121.534 119.914 0.195 0.000 3.141 817 V HA 0.905 5.014 4.120 -0.019 0.000 0.312 817 V C -1.125 175.146 176.094 0.294 0.000 1.157 817 V CA -0.140 62.285 62.300 0.209 0.000 1.041 817 V CB 2.192 34.100 31.823 0.143 0.000 1.071 817 V HN 0.961 nan 8.190 nan 0.000 0.441 818 S N 1.717 117.543 115.700 0.210 0.000 2.524 818 S HA 0.713 5.171 4.470 -0.019 0.000 0.227 818 S C -0.558 174.040 174.600 -0.002 0.000 1.304 818 S CA -0.006 58.253 58.200 0.098 0.000 1.185 818 S CB -0.359 62.906 63.200 0.109 0.000 1.104 818 S HN 1.938 nan 8.310 nan 0.000 0.475 819 C N 2.465 121.753 119.300 -0.020 0.000 3.213 819 C HA 0.768 5.217 4.460 -0.019 0.000 0.319 819 C C -0.934 174.016 174.990 -0.067 0.000 1.386 819 C CA -1.122 57.877 59.018 -0.030 0.000 1.494 819 C CB 0.714 28.459 27.740 0.007 0.000 1.905 819 C HN 0.720 nan 8.230 nan 0.000 0.456 820 K N 0.706 121.069 120.400 -0.061 0.000 2.164 820 K HA 0.778 5.086 4.320 -0.019 0.000 0.258 820 K C -1.117 175.472 176.600 -0.017 0.000 0.951 820 K CA -0.225 56.025 56.287 -0.061 0.000 0.844 820 K CB 1.417 33.884 32.500 -0.056 0.000 1.099 820 K HN 0.554 nan 8.250 nan 0.000 0.435 821 L N 1.753 122.972 121.223 -0.007 0.000 2.334 821 L HA 0.463 4.791 4.340 -0.019 0.000 0.273 821 L C 0.964 177.959 176.870 0.209 0.000 1.013 821 L CA -0.431 54.388 54.840 -0.036 0.000 0.816 821 L CB 1.620 43.409 42.059 -0.450 0.000 1.278 821 L HN 0.957 nan 8.230 nan 0.000 0.431 822 G N 2.078 111.007 108.800 0.215 0.000 2.582 822 G HA2 -0.381 3.567 3.960 -0.019 0.000 0.300 822 G HA3 -0.381 3.567 3.960 -0.019 0.000 0.300 822 G C 0.621 175.636 174.900 0.191 0.000 1.300 822 G CA 0.707 45.952 45.100 0.242 0.000 0.959 822 G HN 0.722 nan 8.290 nan 0.000 0.548 823 K N 0.668 121.170 120.400 0.171 0.000 2.147 823 K HA 0.038 4.347 4.320 -0.019 0.000 0.205 823 K C 1.282 177.963 176.600 0.134 0.000 1.049 823 K CA 0.835 57.193 56.287 0.117 0.000 0.936 823 K CB -0.226 32.320 32.500 0.077 0.000 0.722 823 K HN 0.548 nan 8.250 nan 0.000 0.446 824 D N 0.941 121.476 120.400 0.226 0.000 2.570 824 D HA -0.080 4.548 4.640 -0.019 0.000 0.243 824 D C -1.800 174.590 176.300 0.149 0.000 1.171 824 D CA -0.692 53.465 54.000 0.262 0.000 0.879 824 D CB 0.961 42.116 40.800 0.591 0.000 1.143 824 D HN 0.077 nan 8.370 nan 0.000 0.511 825 P HA 0.080 nan 4.420 nan 0.000 0.262 825 P C -0.251 176.999 177.300 -0.083 0.000 1.304 825 P CA -0.321 62.777 63.100 -0.004 0.000 0.859 825 P CB 0.378 32.076 31.700 -0.003 0.000 1.310 826 N N 0.160 118.776 118.700 -0.140 0.000 2.513 826 N HA 0.176 4.904 4.740 -0.019 0.000 0.274 826 N C -0.067 175.113 175.510 -0.551 0.000 1.189 826 N CA 0.447 53.273 53.050 -0.373 0.000 0.975 826 N CB 0.206 38.366 38.487 -0.544 0.000 1.157 826 N HN -0.177 nan 8.380 nan 0.000 0.465 827 T N 2.053 116.287 114.554 -0.533 0.000 2.767 827 T HA 0.392 4.731 4.350 -0.019 0.000 0.284 827 T C -0.533 173.814 174.700 -0.588 0.000 0.973 827 T CA -0.146 61.666 62.100 -0.480 0.000 0.996 827 T CB 0.005 68.674 68.868 -0.331 0.000 0.927 827 T HN 0.202 nan 8.240 nan 0.000 0.456 828 Y N 1.165 121.359 120.300 -0.176 0.000 2.534 828 Y HA 0.615 5.154 4.550 -0.019 0.000 0.329 828 Y C -0.167 175.633 175.900 -0.168 0.000 1.154 828 Y CA -1.438 56.582 58.100 -0.134 0.000 1.192 828 Y CB 1.026 39.419 38.460 -0.111 0.000 1.275 828 Y HN 0.459 nan 8.280 nan 0.000 0.491 829 F N 2.342 122.452 119.950 0.268 0.000 2.385 829 F HA 0.470 4.985 4.527 -0.019 0.000 0.360 829 F C -0.363 175.594 175.800 0.262 0.000 1.122 829 F CA -1.293 56.832 58.000 0.208 0.000 1.090 829 F CB 0.598 39.698 39.000 0.167 0.000 1.150 829 F HN 0.143 nan 8.300 nan 0.000 0.472 830 I N 4.594 125.398 120.570 0.391 0.000 2.378 830 I HA 0.433 4.592 4.170 -0.019 0.000 0.291 830 I C -0.915 175.342 176.117 0.232 0.000 0.992 830 I CA -0.973 60.476 61.300 0.247 0.000 1.154 830 I CB 1.773 39.813 38.000 0.068 0.000 1.315 830 I HN 0.072 nan 8.210 nan 0.000 0.448 831 V N 5.064 125.134 119.914 0.259 0.000 2.378 831 V HA 0.485 4.593 4.120 -0.019 0.000 0.288 831 V C 0.637 176.772 176.094 0.068 0.000 1.016 831 V CA -0.558 61.860 62.300 0.197 0.000 0.840 831 V CB 1.445 33.486 31.823 0.362 0.000 0.994 831 V HN 0.906 nan 8.190 nan 0.000 0.431 832 G N 3.183 111.990 108.800 0.012 0.000 2.372 832 G HA2 0.580 4.529 3.960 -0.019 0.000 0.283 832 G HA3 0.580 4.529 3.960 -0.019 0.000 0.283 832 G C 0.148 174.983 174.900 -0.108 0.000 1.177 832 G CA 0.331 45.404 45.100 -0.044 0.000 0.842 832 G HN 0.799 nan 8.290 nan 0.000 0.503 833 T N -1.367 113.103 114.554 -0.140 0.000 2.676 833 T HA 0.862 5.201 4.350 -0.019 0.000 0.269 833 T C -0.335 174.244 174.700 -0.202 0.000 0.952 833 T CA -0.333 61.638 62.100 -0.216 0.000 1.040 833 T CB 1.962 70.667 68.868 -0.273 0.000 1.352 833 T HN 1.861 nan 8.240 nan 0.000 0.554 834 A N 0.695 123.377 122.820 -0.229 0.000 2.565 834 A HA 0.599 4.907 4.320 -0.019 0.000 0.298 834 A C -0.902 176.502 177.584 -0.299 0.000 1.062 834 A CA -0.953 50.947 52.037 -0.229 0.000 0.723 834 A CB 1.275 20.140 19.000 -0.225 0.000 1.282 834 A HN 0.737 nan 8.150 nan 0.000 0.400 835 M N 1.779 121.195 119.600 -0.307 0.000 2.249 835 M HA 0.565 5.034 4.480 -0.019 0.000 0.351 835 M C -0.512 175.531 176.300 -0.429 0.000 1.180 835 M CA -0.488 54.565 55.300 -0.411 0.000 1.127 835 M CB 0.902 33.285 32.600 -0.361 0.000 1.546 835 M HN 0.429 nan 8.290 nan 0.000 0.461 836 V N 4.216 123.616 119.914 -0.857 0.000 2.686 836 V HA 0.556 4.665 4.120 -0.019 0.000 0.306 836 V C -1.486 174.032 176.094 -0.959 0.000 1.065 836 V CA -0.683 61.244 62.300 -0.620 0.000 0.894 836 V CB 2.102 33.737 31.823 -0.312 0.000 1.004 836 V HN 0.775 nan 8.190 nan 0.000 0.424 837 Y N 3.644 123.923 120.300 -0.034 0.000 2.534 837 Y HA 0.493 5.031 4.550 -0.019 0.000 0.345 837 Y C -1.967 173.955 175.900 0.036 0.000 1.031 837 Y CA -2.287 55.809 58.100 -0.007 0.000 1.022 837 Y CB 1.599 40.040 38.460 -0.032 0.000 1.292 837 Y HN 0.355 nan 8.280 nan 0.000 0.459 838 P HA -0.216 nan 4.420 nan 0.000 0.214 838 P C 1.266 178.639 177.300 0.121 0.000 1.163 838 P CA 2.231 65.413 63.100 0.136 0.000 0.889 838 P CB 0.358 32.126 31.700 0.114 0.000 0.790 839 E N 0.828 121.098 120.200 0.116 0.000 2.065 839 E HA -0.194 4.145 4.350 -0.019 0.000 0.201 839 E C 0.507 177.150 176.600 0.071 0.000 1.016 839 E CA 1.226 57.669 56.400 0.072 0.000 0.818 839 E CB -1.370 28.352 29.700 0.036 0.000 0.749 839 E HN 0.430 nan 8.360 nan 0.000 0.453 840 E N 0.552 120.809 120.200 0.095 0.000 2.413 840 E HA 0.219 4.558 4.350 -0.019 0.000 0.263 840 E C 0.903 177.557 176.600 0.089 0.000 1.015 840 E CA 0.121 56.571 56.400 0.084 0.000 0.916 840 E CB 0.955 30.721 29.700 0.111 0.000 0.947 840 E HN 0.298 nan 8.360 nan 0.000 0.440 841 A N 3.768 126.631 122.820 0.072 0.000 1.855 841 A HA -0.118 4.190 4.320 -0.019 0.000 0.215 841 A C 0.834 178.471 177.584 0.089 0.000 1.191 841 A CA 1.234 53.315 52.037 0.075 0.000 0.613 841 A CB 0.127 19.164 19.000 0.061 0.000 0.829 841 A HN 0.680 nan 8.150 nan 0.000 0.442 842 E N -0.950 119.301 120.200 0.086 0.000 2.367 842 E HA 0.432 4.771 4.350 -0.019 0.000 0.273 842 E C -2.890 173.760 176.600 0.083 0.000 0.903 842 E CA -2.538 53.920 56.400 0.096 0.000 0.764 842 E CB 2.420 32.173 29.700 0.089 0.000 1.252 842 E HN 0.146 nan 8.360 nan 0.000 0.446 843 P HA 0.119 nan 4.420 nan 0.000 0.276 843 P C -0.570 176.743 177.300 0.023 0.000 1.244 843 P CA -0.135 62.986 63.100 0.036 0.000 0.801 843 P CB 0.795 32.480 31.700 -0.024 0.000 1.006 844 K N 0.732 121.135 120.400 0.005 0.000 2.520 844 K HA 0.150 4.458 4.320 -0.019 0.000 0.206 844 K C 0.008 176.605 176.600 -0.006 0.000 1.122 844 K CA 0.044 56.336 56.287 0.009 0.000 1.045 844 K CB 0.565 33.074 32.500 0.014 0.000 0.932 844 K HN 0.680 nan 8.250 nan 0.000 0.571 845 Q N -0.674 119.093 119.800 -0.055 0.000 2.482 845 Q HA 0.747 5.076 4.340 -0.019 0.000 0.286 845 Q C -0.770 175.146 176.000 -0.140 0.000 1.007 845 Q CA -1.197 54.560 55.803 -0.078 0.000 0.801 845 Q CB 2.152 30.788 28.738 -0.168 0.000 1.455 845 Q HN 0.073 nan 8.270 nan 0.000 0.398 846 G N 0.460 109.245 108.800 -0.025 0.000 2.349 846 G HA2 0.520 4.469 3.960 -0.019 0.000 0.294 846 G HA3 0.520 4.469 3.960 -0.019 0.000 0.294 846 G C -1.898 173.097 174.900 0.158 0.000 1.380 846 G CA -0.769 44.327 45.100 -0.007 0.000 0.811 846 G HN 0.862 nan 8.290 nan 0.000 0.519 847 R N -1.258 119.305 120.500 0.104 0.000 2.836 847 R HA 0.824 5.152 4.340 -0.019 0.000 0.269 847 R C -1.444 174.854 176.300 -0.003 0.000 1.010 847 R CA -1.024 55.127 56.100 0.086 0.000 0.930 847 R CB 1.736 32.110 30.300 0.124 0.000 1.218 847 R HN 0.403 nan 8.270 nan 0.000 0.473 848 I N 1.534 122.078 120.570 -0.043 0.000 2.378 848 I HA 0.354 4.513 4.170 -0.019 0.000 0.291 848 I C -0.708 175.351 176.117 -0.097 0.000 0.992 848 I CA -1.129 60.118 61.300 -0.089 0.000 1.154 848 I CB 2.200 40.084 38.000 -0.194 0.000 1.315 848 I HN 0.286 nan 8.210 nan 0.000 0.448 849 V N 6.843 126.707 119.914 -0.083 0.000 2.495 849 V HA 0.460 4.569 4.120 -0.019 0.000 0.298 849 V C -0.099 175.837 176.094 -0.264 0.000 1.031 849 V CA -0.766 61.407 62.300 -0.212 0.000 0.871 849 V CB 1.929 33.605 31.823 -0.244 0.000 0.988 849 V HN 0.388 nan 8.190 nan 0.000 0.432 850 V N 5.014 124.723 119.914 -0.341 0.000 2.483 850 V HA 0.596 4.704 4.120 -0.019 0.000 0.295 850 V C -0.649 175.288 176.094 -0.262 0.000 1.035 850 V CA -0.417 61.718 62.300 -0.275 0.000 0.896 850 V CB 1.556 33.117 31.823 -0.437 0.000 0.986 850 V HN 0.709 nan 8.190 nan 0.000 0.447 851 F N 2.274 122.269 119.950 0.076 0.000 2.576 851 F HA 0.590 5.105 4.527 -0.019 0.000 0.313 851 F C -0.058 175.944 175.800 0.337 0.000 1.078 851 F CA -0.553 57.559 58.000 0.186 0.000 0.921 851 F CB 2.271 41.409 39.000 0.229 0.000 1.232 851 F HN 0.371 nan 8.300 nan 0.000 0.459 852 Q N 2.591 122.713 119.800 0.537 0.000 2.323 852 Q HA 0.301 4.630 4.340 -0.019 0.000 0.271 852 Q C -2.025 174.180 176.000 0.343 0.000 1.048 852 Q CA -0.887 55.151 55.803 0.392 0.000 0.792 852 Q CB 2.204 31.134 28.738 0.321 0.000 1.280 852 Q HN 0.686 nan 8.270 nan 0.000 0.441 853 Y N 2.471 122.859 120.300 0.148 0.000 2.326 853 Y HA 0.340 4.879 4.550 -0.019 0.000 0.337 853 Y C -0.249 175.662 175.900 0.019 0.000 1.023 853 Y CA 0.259 58.420 58.100 0.102 0.000 1.143 853 Y CB 1.119 39.682 38.460 0.171 0.000 1.183 853 Y HN 0.736 nan 8.280 nan 0.000 0.485 854 S N 3.046 118.467 115.700 -0.466 0.000 3.976 854 S HA 0.134 4.593 4.470 -0.019 0.000 0.189 854 S C 0.524 174.875 174.600 -0.416 0.000 0.917 854 S CA -0.078 57.928 58.200 -0.323 0.000 1.552 854 S CB -0.059 63.015 63.200 -0.208 0.000 0.676 854 S HN 0.657 nan 8.310 nan 0.000 0.738 855 D N 1.406 121.612 120.400 -0.324 0.000 2.084 855 D HA 0.164 4.793 4.640 -0.019 0.000 0.199 855 D C 1.458 177.538 176.300 -0.367 0.000 0.981 855 D CA 1.508 55.354 54.000 -0.257 0.000 0.841 855 D CB -0.481 40.227 40.800 -0.152 0.000 0.997 855 D HN 0.587 nan 8.370 nan 0.000 0.454 856 G N -0.670 107.900 108.800 -0.383 0.000 4.213 856 G HA2 0.070 4.019 3.960 -0.019 0.000 0.274 856 G HA3 0.070 4.019 3.960 -0.019 0.000 0.274 856 G C -0.029 174.691 174.900 -0.300 0.000 1.033 856 G CA -0.377 44.545 45.100 -0.297 0.000 0.822 856 G HN -0.039 nan 8.290 nan 0.000 0.432 857 K N 0.658 120.808 120.400 -0.416 0.000 2.118 857 K HA 0.561 4.869 4.320 -0.019 0.000 0.254 857 K C -1.150 175.383 176.600 -0.111 0.000 0.961 857 K CA -0.958 55.187 56.287 -0.236 0.000 0.876 857 K CB 2.572 34.986 32.500 -0.143 0.000 1.077 857 K HN -0.020 nan 8.250 nan 0.000 0.440 858 L N 2.441 123.661 121.223 -0.005 0.000 2.417 858 L HA 0.218 4.547 4.340 -0.019 0.000 0.259 858 L C -0.734 176.283 176.870 0.245 0.000 1.023 858 L CA -0.258 54.716 54.840 0.222 0.000 0.901 858 L CB 1.194 43.439 42.059 0.311 0.000 1.227 858 L HN 0.721 nan 8.230 nan 0.000 0.454 859 Q N 2.044 121.991 119.800 0.245 0.000 2.322 859 Q HA 0.212 4.540 4.340 -0.019 0.000 0.256 859 Q C -0.297 175.843 176.000 0.234 0.000 0.960 859 Q CA -0.387 55.539 55.803 0.206 0.000 0.934 859 Q CB 1.046 29.869 28.738 0.140 0.000 1.200 859 Q HN 0.530 nan 8.270 nan 0.000 0.435 860 T N 4.093 118.725 114.554 0.130 0.000 2.833 860 T HA -0.005 4.333 4.350 -0.019 0.000 0.254 860 T C 1.322 175.970 174.700 -0.086 0.000 0.972 860 T CA -0.227 61.793 62.100 -0.133 0.000 1.246 860 T CB 0.081 68.879 68.868 -0.117 0.000 0.949 860 T HN 0.443 nan 8.240 nan 0.000 0.567 861 V N 1.789 121.652 119.914 -0.085 0.000 2.548 861 V HA 0.180 4.288 4.120 -0.019 0.000 0.249 861 V C 1.220 177.288 176.094 -0.043 0.000 1.055 861 V CA 1.484 63.773 62.300 -0.020 0.000 1.065 861 V CB -0.552 31.262 31.823 -0.016 0.000 0.681 861 V HN 1.015 nan 8.190 nan 0.000 0.462 862 A N -0.190 122.564 122.820 -0.109 0.000 2.582 862 A HA 0.636 4.945 4.320 -0.019 0.000 0.297 862 A C -0.733 176.784 177.584 -0.111 0.000 1.059 862 A CA -0.757 51.250 52.037 -0.050 0.000 0.705 862 A CB 1.106 20.172 19.000 0.111 0.000 1.279 862 A HN 0.360 nan 8.150 nan 0.000 0.404 863 E N 0.539 120.691 120.200 -0.081 0.000 2.334 863 E HA 0.882 5.221 4.350 -0.019 0.000 0.256 863 E C -0.809 175.757 176.600 -0.056 0.000 0.958 863 E CA -1.153 55.194 56.400 -0.087 0.000 0.821 863 E CB 1.656 31.304 29.700 -0.087 0.000 1.269 863 E HN 0.378 nan 8.360 nan 0.000 0.413 864 K N 0.520 120.886 120.400 -0.056 0.000 2.582 864 K HA 0.142 4.450 4.320 -0.019 0.000 0.259 864 K C -1.780 174.820 176.600 -0.000 0.000 0.973 864 K CA -0.155 56.115 56.287 -0.029 0.000 0.880 864 K CB 1.772 34.231 32.500 -0.068 0.000 1.310 864 K HN 0.588 nan 8.250 nan 0.000 0.443 865 E N 2.692 122.907 120.200 0.024 0.000 2.349 865 E HA 0.522 4.861 4.350 -0.019 0.000 0.265 865 E C -0.627 176.048 176.600 0.125 0.000 1.064 865 E CA -0.701 55.746 56.400 0.080 0.000 0.886 865 E CB 0.947 30.677 29.700 0.051 0.000 1.036 865 E HN 0.413 nan 8.360 nan 0.000 0.413 866 V N 0.128 120.138 119.914 0.161 0.000 3.160 866 V HA 0.440 4.549 4.120 -0.019 0.000 0.310 866 V C -0.364 175.808 176.094 0.131 0.000 1.181 866 V CA -1.027 61.358 62.300 0.142 0.000 1.047 866 V CB 1.834 33.732 31.823 0.125 0.000 1.068 866 V HN 0.673 nan 8.190 nan 0.000 0.441 867 K N 0.784 121.246 120.400 0.104 0.000 2.681 867 K HA 0.668 4.976 4.320 -0.019 0.000 0.211 867 K C 0.230 176.862 176.600 0.054 0.000 1.075 867 K CA 0.443 56.779 56.287 0.082 0.000 1.141 867 K CB 0.619 33.170 32.500 0.084 0.000 0.896 867 K HN 1.153 nan 8.250 nan 0.000 0.470 868 G N -0.065 108.754 108.800 0.033 0.000 2.340 868 G HA2 0.416 4.365 3.960 -0.019 0.000 0.299 868 G HA3 0.416 4.365 3.960 -0.019 0.000 0.299 868 G C -1.675 173.186 174.900 -0.065 0.000 1.291 868 G CA -0.809 44.292 45.100 0.002 0.000 0.841 868 G HN 0.083 nan 8.290 nan 0.000 0.500 869 A N -0.333 122.397 122.820 -0.150 0.000 2.491 869 A HA 0.509 4.818 4.320 -0.019 0.000 0.261 869 A C 0.471 177.809 177.584 -0.409 0.000 1.101 869 A CA -0.085 51.708 52.037 -0.407 0.000 0.772 869 A CB 0.108 18.590 19.000 -0.863 0.000 1.043 869 A HN 1.490 nan 8.150 nan 0.000 0.501 870 V N 4.930 124.665 119.914 -0.299 0.000 2.313 870 V HA 0.043 4.152 4.120 -0.019 0.000 0.252 870 V C 0.502 176.472 176.094 -0.208 0.000 1.112 870 V CA 0.115 62.316 62.300 -0.165 0.000 0.984 870 V CB -1.510 30.265 31.823 -0.081 0.000 1.157 870 V HN 0.928 nan 8.190 nan 0.000 0.493 871 Y N 2.448 122.729 120.300 -0.030 0.000 2.220 871 Y HA -0.033 4.505 4.550 -0.019 0.000 0.291 871 Y C 1.612 177.490 175.900 -0.036 0.000 1.129 871 Y CA 1.275 59.343 58.100 -0.054 0.000 1.161 871 Y CB 0.327 38.717 38.460 -0.117 0.000 0.997 871 Y HN 0.725 nan 8.280 nan 0.000 0.522 872 S N -0.041 115.740 115.700 0.135 0.000 2.607 872 S HA 0.728 5.187 4.470 -0.019 0.000 0.273 872 S C -0.985 173.663 174.600 0.079 0.000 1.148 872 S CA -1.029 57.231 58.200 0.100 0.000 0.833 872 S CB 1.993 65.259 63.200 0.111 0.000 1.130 872 S HN 0.170 nan 8.310 nan 0.000 0.470 873 M N 1.303 120.954 119.600 0.084 0.000 2.255 873 M HA 0.661 5.129 4.480 -0.019 0.000 0.275 873 M C -1.460 174.896 176.300 0.093 0.000 1.050 873 M CA -0.817 54.530 55.300 0.079 0.000 0.978 873 M CB 1.427 34.066 32.600 0.066 0.000 1.761 873 M HN 0.538 nan 8.290 nan 0.000 0.479 874 V N 1.464 121.433 119.914 0.092 0.000 3.096 874 V HA 0.552 4.661 4.120 -0.019 0.000 0.319 874 V C -0.410 175.762 176.094 0.129 0.000 1.082 874 V CA -0.217 62.152 62.300 0.116 0.000 1.022 874 V CB 1.970 33.870 31.823 0.127 0.000 1.103 874 V HN 0.970 nan 8.190 nan 0.000 0.455 875 E N 2.549 122.834 120.200 0.143 0.000 2.249 875 E HA 0.159 4.498 4.350 -0.019 0.000 0.280 875 E C -0.860 175.885 176.600 0.242 0.000 1.016 875 E CA -0.237 56.253 56.400 0.150 0.000 0.830 875 E CB 1.439 31.197 29.700 0.097 0.000 1.081 875 E HN 0.608 nan 8.360 nan 0.000 0.395 876 F N 3.953 123.930 119.950 0.044 0.000 2.384 876 F HA 0.278 4.793 4.527 -0.019 0.000 0.244 876 F C 0.609 176.439 175.800 0.050 0.000 1.105 876 F CA 0.241 58.271 58.000 0.049 0.000 1.005 876 F CB 0.274 39.295 39.000 0.036 0.000 1.097 876 F HN 0.416 nan 8.300 nan 0.000 0.619 877 N N 0.124 118.780 118.700 -0.074 0.000 2.791 877 N HA 0.270 4.999 4.740 -0.019 0.000 0.265 877 N C 0.407 175.902 175.510 -0.025 0.000 1.580 877 N CA 0.653 53.613 53.050 -0.150 0.000 0.809 877 N CB 1.031 39.355 38.487 -0.272 0.000 1.178 877 N HN 0.691 nan 8.380 nan 0.000 0.499 878 G N 1.029 109.841 108.800 0.020 0.000 2.189 878 G HA2 -0.329 3.619 3.960 -0.019 0.000 0.267 878 G HA3 -0.329 3.619 3.960 -0.019 0.000 0.267 878 G C 0.168 175.117 174.900 0.082 0.000 0.975 878 G CA 0.701 45.832 45.100 0.051 0.000 0.644 878 G HN 0.435 nan 8.290 nan 0.000 0.537 879 K N -0.779 119.680 120.400 0.099 0.000 2.211 879 K HA 0.785 5.094 4.320 -0.019 0.000 0.237 879 K C -0.847 175.847 176.600 0.158 0.000 1.002 879 K CA -1.108 55.261 56.287 0.137 0.000 0.885 879 K CB 2.188 34.764 32.500 0.127 0.000 1.136 879 K HN 0.131 nan 8.250 nan 0.000 0.448 880 L N 2.201 123.521 121.223 0.163 0.000 2.305 880 L HA 0.387 4.715 4.340 -0.019 0.000 0.284 880 L C -1.492 175.513 176.870 0.224 0.000 1.013 880 L CA -0.785 54.145 54.840 0.149 0.000 0.819 880 L CB 1.295 43.384 42.059 0.050 0.000 1.227 880 L HN 0.513 nan 8.230 nan 0.000 0.417 881 L N 5.637 126.959 121.223 0.165 0.000 2.322 881 L HA 0.972 5.301 4.340 -0.019 0.000 0.281 881 L C -0.970 175.966 176.870 0.109 0.000 1.014 881 L CA -0.137 54.775 54.840 0.119 0.000 0.815 881 L CB 1.627 43.665 42.059 -0.035 0.000 1.247 881 L HN 0.724 nan 8.230 nan 0.000 0.421 882 A N 2.809 125.709 122.820 0.133 0.000 2.437 882 A HA 0.652 4.960 4.320 -0.019 0.000 0.293 882 A C -0.712 176.927 177.584 0.092 0.000 1.038 882 A CA -0.196 51.917 52.037 0.126 0.000 0.708 882 A CB 1.211 20.323 19.000 0.188 0.000 1.251 882 A HN 0.874 nan 8.150 nan 0.000 0.409 883 S N 1.701 117.439 115.700 0.063 0.000 2.499 883 S HA 0.681 5.140 4.470 -0.019 0.000 0.275 883 S C -0.250 174.410 174.600 0.099 0.000 1.257 883 S CA -0.180 58.056 58.200 0.060 0.000 1.050 883 S CB 0.062 63.290 63.200 0.047 0.000 0.937 883 S HN 0.550 nan 8.310 nan 0.000 0.490 884 I N 2.411 123.036 120.570 0.091 0.000 2.583 884 I HA 0.298 4.456 4.170 -0.019 0.000 0.276 884 I C -0.352 175.828 176.117 0.104 0.000 1.089 884 I CA -0.623 60.731 61.300 0.091 0.000 1.103 884 I CB 0.513 38.567 38.000 0.090 0.000 1.209 884 I HN 0.817 nan 8.210 nan 0.000 0.484 885 N N 4.607 123.417 118.700 0.182 0.000 2.584 885 N HA -0.216 4.512 4.740 -0.019 0.000 0.291 885 N C 0.421 175.988 175.510 0.096 0.000 1.203 885 N CA 0.702 53.861 53.050 0.180 0.000 0.735 885 N CB -0.152 38.416 38.487 0.134 0.000 0.936 885 N HN 0.954 nan 8.380 nan 0.000 0.549 886 S N -0.739 114.994 115.700 0.055 0.000 3.477 886 S HA -0.243 4.216 4.470 -0.019 0.000 0.371 886 S C -0.229 174.383 174.600 0.020 0.000 0.965 886 S CA 1.229 59.438 58.200 0.014 0.000 1.239 886 S CB -1.320 61.887 63.200 0.012 0.000 0.918 886 S HN 0.631 nan 8.310 nan 0.000 0.498 887 T N 0.481 115.028 114.554 -0.013 0.000 4.058 887 T HA 0.285 4.624 4.350 -0.019 0.000 0.297 887 T C -0.231 174.403 174.700 -0.110 0.000 0.675 887 T CA -0.474 61.559 62.100 -0.112 0.000 0.974 887 T CB 0.821 69.657 68.868 -0.053 0.000 1.115 887 T HN 0.486 nan 8.240 nan 0.000 0.480 888 V N 3.660 123.504 119.914 -0.117 0.000 2.572 888 V HA 0.487 4.596 4.120 -0.019 0.000 0.291 888 V C 0.686 176.758 176.094 -0.037 0.000 1.039 888 V CA -0.121 62.131 62.300 -0.081 0.000 1.055 888 V CB 0.973 32.694 31.823 -0.170 0.000 0.969 888 V HN 0.664 nan 8.190 nan 0.000 0.482 889 R N 3.842 124.345 120.500 0.006 0.000 2.807 889 R HA 0.701 5.030 4.340 -0.019 0.000 0.276 889 R C -1.698 174.613 176.300 0.019 0.000 0.979 889 R CA -0.933 55.135 56.100 -0.054 0.000 0.928 889 R CB 1.662 31.808 30.300 -0.257 0.000 1.191 889 R HN 0.539 nan 8.270 nan 0.000 0.471 890 L N 4.260 125.447 121.223 -0.059 0.000 2.417 890 L HA 0.400 4.729 4.340 -0.019 0.000 0.259 890 L C -1.723 175.133 176.870 -0.024 0.000 1.023 890 L CA -0.420 54.436 54.840 0.027 0.000 0.901 890 L CB 0.527 42.604 42.059 0.030 0.000 1.227 890 L HN 0.553 nan 8.230 nan 0.000 0.454 891 Y N 1.605 121.942 120.300 0.060 0.000 2.298 891 Y HA 0.534 5.073 4.550 -0.019 0.000 0.329 891 Y C 0.587 176.542 175.900 0.091 0.000 1.293 891 Y CA -0.207 57.937 58.100 0.072 0.000 1.388 891 Y CB 0.840 39.349 38.460 0.081 0.000 1.309 891 Y HN 0.458 nan 8.280 nan 0.000 0.544 892 E N 0.450 120.838 120.200 0.313 0.000 2.293 892 E HA 0.101 4.440 4.350 -0.019 0.000 0.270 892 E C -1.650 175.168 176.600 0.364 0.000 0.879 892 E CA -0.789 55.767 56.400 0.261 0.000 0.756 892 E CB 1.903 31.701 29.700 0.163 0.000 1.208 892 E HN 0.652 nan 8.360 nan 0.000 0.428 893 W N 4.847 126.184 121.300 0.063 0.000 2.342 893 W HA 0.117 4.765 4.660 -0.019 0.000 0.310 893 W C 0.205 176.744 176.519 0.033 0.000 1.128 893 W CA -0.684 56.684 57.345 0.039 0.000 1.322 893 W CB 0.990 30.478 29.460 0.047 0.000 1.251 893 W HN 0.588 nan 8.180 nan 0.000 0.439 894 T N 0.608 115.050 114.554 -0.187 0.000 2.734 894 T HA -0.064 4.275 4.350 -0.019 0.000 0.314 894 T C 1.519 175.998 174.700 -0.368 0.000 1.057 894 T CA 0.616 62.575 62.100 -0.236 0.000 1.047 894 T CB 1.161 69.887 68.868 -0.237 0.000 0.991 894 T HN 0.528 nan 8.240 nan 0.000 0.540 895 T N -1.395 113.032 114.554 -0.212 0.000 2.951 895 T HA -0.040 4.299 4.350 -0.019 0.000 0.268 895 T C 1.342 175.904 174.700 -0.229 0.000 1.073 895 T CA 0.941 62.932 62.100 -0.182 0.000 1.134 895 T CB -0.554 68.259 68.868 -0.093 0.000 0.884 895 T HN 0.786 nan 8.240 nan 0.000 0.479 896 E N 1.787 121.845 120.200 -0.236 0.000 2.516 896 E HA 0.109 4.447 4.350 -0.019 0.000 0.199 896 E C -0.025 176.368 176.600 -0.346 0.000 1.069 896 E CA -0.055 56.210 56.400 -0.225 0.000 0.876 896 E CB -0.517 29.083 29.700 -0.167 0.000 0.843 896 E HN 0.487 nan 8.360 nan 0.000 0.530 897 K N 1.136 121.164 120.400 -0.619 0.000 3.898 897 K HA -0.149 4.160 4.320 -0.019 0.000 0.282 897 K C -1.069 174.904 176.600 -1.045 0.000 1.014 897 K CA 0.392 56.017 56.287 -1.104 0.000 0.848 897 K CB -1.171 31.002 32.500 -0.544 0.000 1.469 897 K HN 0.150 nan 8.250 nan 0.000 0.446 898 D N 0.000 119.808 120.400 -0.987 0.000 2.753 898 D HA 0.283 4.912 4.640 -0.019 0.000 0.224 898 D C -0.869 175.467 176.300 0.061 0.000 1.213 898 D CA -0.589 53.214 54.000 -0.327 0.000 0.833 898 D CB 2.020 42.720 40.800 -0.167 0.000 1.607 898 D HN 0.010 nan 8.370 nan 0.000 0.463 899 V N 1.120 121.207 119.914 0.289 0.000 2.372 899 V HA 0.646 4.754 4.120 -0.019 0.000 0.261 899 V C -0.023 176.256 176.094 0.309 0.000 1.055 899 V CA -0.521 61.974 62.300 0.324 0.000 0.930 899 V CB 0.119 31.984 31.823 0.070 0.000 1.031 899 V HN 0.503 nan 8.190 nan 0.000 0.479 900 R N 2.513 123.194 120.500 0.303 0.000 2.494 900 R HA 0.671 4.999 4.340 -0.019 0.000 0.305 900 R C -0.077 176.329 176.300 0.177 0.000 0.959 900 R CA -0.325 55.909 56.100 0.223 0.000 0.864 900 R CB 1.069 31.433 30.300 0.107 0.000 1.159 900 R HN 0.586 nan 8.270 nan 0.000 0.446 901 T N 1.764 116.349 114.554 0.051 0.000 2.908 901 T HA -0.051 4.288 4.350 -0.019 0.000 0.325 901 T C 0.608 175.257 174.700 -0.086 0.000 1.092 901 T CA 0.238 62.240 62.100 -0.163 0.000 1.125 901 T CB 0.773 69.543 68.868 -0.163 0.000 1.016 901 T HN 0.891 nan 8.240 nan 0.000 0.550 902 E N -0.712 119.412 120.200 -0.127 0.000 2.475 902 E HA 0.164 4.503 4.350 -0.019 0.000 0.205 902 E C 0.207 176.740 176.600 -0.111 0.000 0.822 902 E CA 0.027 56.380 56.400 -0.078 0.000 1.240 902 E CB 0.745 30.420 29.700 -0.041 0.000 1.222 902 E HN 0.888 nan 8.360 nan 0.000 0.581 903 C N -0.487 118.713 119.300 -0.166 0.000 3.275 903 C HA 0.709 5.157 4.460 -0.019 0.000 0.340 903 C C -1.411 173.510 174.990 -0.115 0.000 1.366 903 C CA -1.303 57.612 59.018 -0.170 0.000 1.227 903 C CB 0.863 28.407 27.740 -0.327 0.000 1.512 903 C HN 0.236 nan 8.230 nan 0.000 0.461 904 N N -0.374 118.311 118.700 -0.025 0.000 2.525 904 N HA 0.666 5.395 4.740 -0.019 0.000 0.270 904 N C -1.813 173.767 175.510 0.118 0.000 1.321 904 N CA -0.369 52.662 53.050 -0.030 0.000 0.797 904 N CB 1.694 39.923 38.487 -0.431 0.000 1.529 904 N HN 1.066 nan 8.380 nan 0.000 0.491 905 H N -0.487 118.482 119.070 -0.169 0.000 2.667 905 H HA 0.400 4.944 4.556 -0.019 0.000 0.353 905 H C -0.871 174.269 175.328 -0.312 0.000 1.072 905 H CA -0.349 55.623 56.048 -0.125 0.000 1.214 905 H CB 0.645 30.329 29.762 -0.129 0.000 1.600 905 H HN 0.572 nan 8.280 nan 0.000 0.527 906 Y N 2.279 122.338 120.300 -0.402 0.000 2.481 906 Y HA 0.168 4.707 4.550 -0.019 0.000 0.247 906 Y C 1.422 177.098 175.900 -0.374 0.000 1.151 906 Y CA -0.272 57.661 58.100 -0.279 0.000 1.238 906 Y CB 0.433 38.806 38.460 -0.146 0.000 1.179 906 Y HN 0.657 nan 8.280 nan 0.000 0.524 907 N N 2.300 120.614 118.700 -0.642 0.000 2.906 907 N HA -0.009 4.719 4.740 -0.019 0.000 0.282 907 N C -1.059 174.374 175.510 -0.128 0.000 1.293 907 N CA 0.104 52.942 53.050 -0.352 0.000 1.059 907 N CB -0.337 37.969 38.487 -0.301 0.000 1.388 907 N HN 0.327 nan 8.380 nan 0.000 0.533 908 N N 0.952 119.597 118.700 -0.090 0.000 2.235 908 N HA 0.150 4.879 4.740 -0.019 0.000 0.293 908 N C 0.558 176.030 175.510 -0.063 0.000 1.083 908 N CA -0.558 52.461 53.050 -0.052 0.000 0.801 908 N CB 1.792 40.261 38.487 -0.030 0.000 1.559 908 N HN -0.024 nan 8.380 nan 0.000 0.472 909 I N 0.781 121.296 120.570 -0.091 0.000 2.286 909 I HA 0.106 4.264 4.170 -0.019 0.000 0.245 909 I C 0.816 176.870 176.117 -0.104 0.000 1.104 909 I CA 1.338 62.578 61.300 -0.100 0.000 1.397 909 I CB 0.132 38.045 38.000 -0.145 0.000 1.072 909 I HN 0.611 nan 8.210 nan 0.000 0.417 910 M N -0.216 119.300 119.600 -0.141 0.000 2.528 910 M HA 0.350 4.818 4.480 -0.019 0.000 0.173 910 M C -1.617 174.529 176.300 -0.256 0.000 0.930 910 M CA -0.327 54.864 55.300 -0.183 0.000 0.802 910 M CB 0.663 33.121 32.600 -0.237 0.000 2.774 910 M HN -0.049 nan 8.290 nan 0.000 0.391 911 A N 4.909 127.615 122.820 -0.189 0.000 2.396 911 A HA 0.502 4.811 4.320 -0.019 0.000 0.279 911 A C 0.249 177.646 177.584 -0.312 0.000 1.165 911 A CA -0.348 51.575 52.037 -0.189 0.000 0.824 911 A CB 0.121 19.068 19.000 -0.089 0.000 1.100 911 A HN 1.006 nan 8.150 nan 0.000 0.516 912 L N 1.536 122.468 121.223 -0.484 0.000 2.500 912 L HA 0.234 4.563 4.340 -0.019 0.000 0.219 912 L C -0.417 175.905 176.870 -0.913 0.000 1.057 912 L CA 0.643 54.924 54.840 -0.932 0.000 0.854 912 L CB 0.034 41.151 42.059 -1.571 0.000 1.078 912 L HN 0.789 nan 8.230 nan 0.000 0.480 913 Y N -0.429 119.861 120.300 -0.017 0.000 2.553 913 Y HA 0.661 5.200 4.550 -0.018 0.000 0.347 913 Y C -0.521 175.370 175.900 -0.015 0.000 1.019 913 Y CA -0.914 57.192 58.100 0.010 0.000 1.032 913 Y CB 1.939 40.408 38.460 0.014 0.000 1.284 913 Y HN -0.240 nan 8.280 nan 0.000 0.466 914 L N 2.076 123.388 121.223 0.148 0.000 2.469 914 L HA 0.722 5.050 4.340 -0.019 0.000 0.256 914 L C -0.980 175.936 176.870 0.076 0.000 1.006 914 L CA -1.146 53.726 54.840 0.053 0.000 0.832 914 L CB 2.553 44.609 42.059 -0.004 0.000 1.421 914 L HN 0.495 nan 8.230 nan 0.000 0.410 915 K N 0.174 120.599 120.400 0.042 0.000 2.555 915 K HA 0.691 5.000 4.320 -0.019 0.000 0.279 915 K C -1.560 175.090 176.600 0.082 0.000 0.986 915 K CA -0.760 55.577 56.287 0.084 0.000 0.880 915 K CB 2.528 35.084 32.500 0.094 0.000 1.474 915 K HN 0.583 nan 8.250 nan 0.000 0.433 916 T N 1.408 116.044 114.554 0.137 0.000 2.928 916 T HA 0.284 4.622 4.350 -0.019 0.000 0.296 916 T C -1.128 173.675 174.700 0.172 0.000 1.000 916 T CA -0.623 61.604 62.100 0.212 0.000 0.989 916 T CB 1.425 70.497 68.868 0.339 0.000 1.005 916 T HN 0.102 nan 8.240 nan 0.000 0.442 917 K N 2.258 122.765 120.400 0.178 0.000 2.281 917 K HA 0.464 4.773 4.320 -0.019 0.000 0.272 917 K C 1.563 178.190 176.600 0.044 0.000 1.048 917 K CA -0.129 56.220 56.287 0.103 0.000 0.898 917 K CB 0.805 33.382 32.500 0.127 0.000 1.128 917 K HN 0.836 nan 8.250 nan 0.000 0.460 918 G N 4.526 113.315 108.800 -0.019 0.000 3.120 918 G HA2 -0.447 3.502 3.960 -0.019 0.000 0.323 918 G HA3 -0.447 3.502 3.960 -0.019 0.000 0.323 918 G C 0.955 175.737 174.900 -0.196 0.000 1.462 918 G CA 1.718 46.761 45.100 -0.095 0.000 1.466 918 G HN 0.721 nan 8.290 nan 0.000 0.811 919 D N -0.654 119.583 120.400 -0.271 0.000 1.848 919 D HA 0.164 4.793 4.640 -0.019 0.000 0.246 919 D C 1.033 177.148 176.300 -0.308 0.000 1.150 919 D CA 0.409 54.105 54.000 -0.507 0.000 0.936 919 D CB -0.207 40.369 40.800 -0.372 0.000 1.396 919 D HN 0.082 nan 8.370 nan 0.000 0.508 920 F N -0.208 119.837 119.950 0.158 0.000 2.772 920 F HA 0.333 4.849 4.527 -0.019 0.000 0.302 920 F C -0.353 175.771 175.800 0.541 0.000 1.136 920 F CA -0.477 57.773 58.000 0.417 0.000 1.322 920 F CB -0.125 39.126 39.000 0.418 0.000 0.967 920 F HN 0.000 nan 8.300 nan 0.000 0.513 921 I N 1.640 122.501 120.570 0.486 0.000 2.428 921 I HA 0.418 4.577 4.170 -0.019 0.000 0.296 921 I C -0.157 176.066 176.117 0.176 0.000 0.985 921 I CA -0.662 60.803 61.300 0.275 0.000 1.260 921 I CB 1.410 39.522 38.000 0.187 0.000 1.389 921 I HN -0.105 nan 8.210 nan 0.000 0.484 922 L N 5.166 126.371 121.223 -0.029 0.000 2.194 922 L HA 0.786 5.114 4.340 -0.019 0.000 0.248 922 L C -0.378 176.341 176.870 -0.250 0.000 1.071 922 L CA -1.018 53.729 54.840 -0.155 0.000 0.901 922 L CB 1.700 43.571 42.059 -0.314 0.000 1.497 922 L HN 0.413 nan 8.230 nan 0.000 0.442 923 V N -1.087 118.675 119.914 -0.253 0.000 2.971 923 V HA 0.898 5.006 4.120 -0.019 0.000 0.281 923 V C -1.159 174.831 176.094 -0.173 0.000 1.470 923 V CA 0.654 62.785 62.300 -0.282 0.000 0.966 923 V CB 1.435 33.048 31.823 -0.350 0.000 1.156 923 V HN 1.245 nan 8.190 nan 0.000 0.441 924 G N 3.578 112.288 108.800 -0.149 0.000 2.340 924 G HA2 0.546 4.495 3.960 -0.019 0.000 0.300 924 G HA3 0.546 4.495 3.960 -0.019 0.000 0.300 924 G C -1.873 173.000 174.900 -0.045 0.000 1.488 924 G CA 0.281 45.355 45.100 -0.042 0.000 0.878 924 G HN 1.369 nan 8.290 nan 0.000 0.618 925 D N -0.830 119.582 120.400 0.019 0.000 3.020 925 D HA 0.063 4.692 4.640 -0.019 0.000 0.268 925 D C 0.764 177.039 176.300 -0.042 0.000 1.078 925 D CA -0.260 53.704 54.000 -0.061 0.000 0.725 925 D CB 1.692 42.430 40.800 -0.104 0.000 1.639 925 D HN 0.808 nan 8.370 nan 0.000 0.455 926 L N 3.304 124.429 121.223 -0.164 0.000 1.973 926 L HA 0.127 4.456 4.340 -0.019 0.000 0.208 926 L C 1.737 178.422 176.870 -0.307 0.000 1.073 926 L CA 2.167 56.894 54.840 -0.190 0.000 0.746 926 L CB -0.384 41.503 42.059 -0.287 0.000 0.891 926 L HN 0.627 nan 8.230 nan 0.000 0.433 927 M N -2.859 116.441 119.600 -0.501 0.000 2.785 927 M HA 0.428 4.897 4.480 -0.019 0.000 0.374 927 M C 0.917 176.938 176.300 -0.465 0.000 1.221 927 M CA 0.100 54.906 55.300 -0.824 0.000 0.912 927 M CB 0.727 32.436 32.600 -1.484 0.000 1.355 927 M HN 0.043 nan 8.290 nan 0.000 0.513 928 R N -0.648 119.697 120.500 -0.259 0.000 2.342 928 R HA 0.433 4.762 4.340 -0.019 0.000 0.179 928 R C 1.174 177.400 176.300 -0.124 0.000 0.989 928 R CA 1.037 57.030 56.100 -0.178 0.000 1.125 928 R CB 0.724 30.917 30.300 -0.179 0.000 1.211 928 R HN 0.497 nan 8.270 nan 0.000 0.568 929 S N -1.819 113.843 115.700 -0.063 0.000 7.376 929 S HA 0.008 4.467 4.470 -0.019 0.000 0.042 929 S C -1.708 172.965 174.600 0.121 0.000 1.533 929 S CA 0.028 58.252 58.200 0.040 0.000 0.942 929 S CB -0.542 62.612 63.200 -0.077 0.000 0.854 929 S HN 0.152 nan 8.310 nan 0.000 0.540 930 V N 0.924 120.850 119.914 0.019 0.000 3.204 930 V HA 0.885 4.994 4.120 -0.019 0.000 0.298 930 V C -1.806 174.191 176.094 -0.160 0.000 1.328 930 V CA -0.990 61.282 62.300 -0.045 0.000 1.035 930 V CB 1.482 33.304 31.823 -0.002 0.000 1.095 930 V HN 0.582 nan 8.190 nan 0.000 0.442 931 L N 2.631 123.729 121.223 -0.209 0.000 2.354 931 L HA 0.823 5.152 4.340 -0.019 0.000 0.269 931 L C -0.667 176.005 176.870 -0.331 0.000 1.005 931 L CA -0.552 54.134 54.840 -0.257 0.000 0.819 931 L CB 1.738 43.651 42.059 -0.244 0.000 1.311 931 L HN 0.795 nan 8.230 nan 0.000 0.423 932 L N 2.389 123.416 121.223 -0.327 0.000 2.334 932 L HA 0.823 5.152 4.340 -0.019 0.000 0.273 932 L C -1.342 175.380 176.870 -0.246 0.000 1.013 932 L CA -0.209 54.421 54.840 -0.349 0.000 0.816 932 L CB 1.595 43.425 42.059 -0.381 0.000 1.278 932 L HN 0.412 nan 8.230 nan 0.000 0.431 933 L N 3.374 124.460 121.223 -0.229 0.000 2.359 933 L HA 0.958 5.287 4.340 -0.019 0.000 0.256 933 L C -0.611 176.256 176.870 -0.004 0.000 1.026 933 L CA -0.279 54.458 54.840 -0.173 0.000 0.828 933 L CB 1.960 43.786 42.059 -0.387 0.000 1.406 933 L HN 0.768 nan 8.230 nan 0.000 0.413 934 A N 0.165 123.053 122.820 0.114 0.000 2.384 934 A HA 0.707 5.016 4.320 -0.019 0.000 0.312 934 A C -1.863 175.981 177.584 0.433 0.000 1.113 934 A CA -0.452 51.758 52.037 0.288 0.000 0.779 934 A CB 1.072 20.234 19.000 0.270 0.000 1.307 934 A HN 0.572 nan 8.150 nan 0.000 0.436 935 Y N 1.283 121.835 120.300 0.420 0.000 2.308 935 Y HA 0.533 5.072 4.550 -0.019 0.000 0.329 935 Y C -0.355 175.583 175.900 0.063 0.000 1.111 935 Y CA -0.465 57.797 58.100 0.271 0.000 1.179 935 Y CB 1.142 39.814 38.460 0.352 0.000 1.201 935 Y HN 0.406 nan 8.280 nan 0.000 0.483 936 K N 7.959 127.912 120.400 -0.745 0.000 2.464 936 K HA 0.288 4.597 4.320 -0.019 0.000 0.252 936 K C -2.525 173.574 176.600 -0.836 0.000 1.000 936 K CA -2.340 53.609 56.287 -0.562 0.000 0.951 936 K CB 1.177 33.507 32.500 -0.284 0.000 1.183 936 K HN 0.468 nan 8.250 nan 0.000 0.445 937 P HA -0.100 nan 4.420 nan 0.000 0.296 937 P C 0.693 177.868 177.300 -0.208 0.000 1.447 937 P CA 0.699 63.598 63.100 -0.335 0.000 0.750 937 P CB -0.000 31.601 31.700 -0.165 0.000 1.451 938 M N 0.739 120.190 119.600 -0.249 0.000 1.995 938 M HA 0.046 4.514 4.480 -0.019 0.000 0.179 938 M C 1.034 177.236 176.300 -0.163 0.000 1.484 938 M CA 0.913 56.121 55.300 -0.154 0.000 1.506 938 M CB -0.215 32.306 32.600 -0.131 0.000 0.911 938 M HN -0.189 nan 8.290 nan 0.000 0.695 939 E N 0.801 120.907 120.200 -0.157 0.000 2.335 939 E HA 0.228 4.566 4.350 -0.019 0.000 0.191 939 E C 0.546 177.043 176.600 -0.172 0.000 1.150 939 E CA 0.390 56.713 56.400 -0.128 0.000 1.001 939 E CB -1.328 28.318 29.700 -0.091 0.000 1.127 939 E HN 0.929 nan 8.360 nan 0.000 0.462 940 G N 1.367 110.004 108.800 -0.271 0.000 2.386 940 G HA2 -0.360 3.588 3.960 -0.019 0.000 0.295 940 G HA3 -0.360 3.588 3.960 -0.019 0.000 0.295 940 G C -0.587 174.117 174.900 -0.327 0.000 0.979 940 G CA 0.712 45.633 45.100 -0.298 0.000 1.193 940 G HN 0.590 nan 8.290 nan 0.000 0.508 941 N N -1.242 117.177 118.700 -0.468 0.000 2.381 941 N HA 0.708 5.437 4.740 -0.019 0.000 0.294 941 N C -0.335 174.935 175.510 -0.399 0.000 1.216 941 N CA -1.083 51.745 53.050 -0.370 0.000 0.803 941 N CB 1.211 39.590 38.487 -0.180 0.000 1.372 941 N HN 0.023 nan 8.380 nan 0.000 0.500 942 F N 0.813 120.751 119.950 -0.019 0.000 2.394 942 F HA 0.249 4.765 4.527 -0.019 0.000 0.340 942 F C 0.770 176.570 175.800 0.000 0.000 1.105 942 F CA -0.608 57.389 58.000 -0.004 0.000 1.124 942 F CB 1.174 40.173 39.000 -0.002 0.000 1.145 942 F HN 0.329 nan 8.300 nan 0.000 0.505 943 E N 3.401 123.720 120.200 0.198 0.000 2.158 943 E HA 0.109 4.447 4.350 -0.019 0.000 0.271 943 E C -0.952 175.706 176.600 0.097 0.000 0.911 943 E CA -0.651 55.824 56.400 0.125 0.000 0.767 943 E CB 1.225 30.973 29.700 0.080 0.000 1.120 943 E HN 0.709 nan 8.360 nan 0.000 0.405 944 E N 5.525 125.776 120.200 0.085 0.000 1.865 944 E HA 0.057 4.395 4.350 -0.019 0.000 0.269 944 E C 0.578 177.191 176.600 0.021 0.000 1.177 944 E CA -0.101 56.309 56.400 0.017 0.000 0.932 944 E CB 0.238 29.992 29.700 0.089 0.000 1.066 944 E HN 0.693 nan 8.360 nan 0.000 0.405 945 I N 3.455 124.027 120.570 0.003 0.000 2.226 945 I HA -0.146 4.012 4.170 -0.019 0.000 0.245 945 I C 0.915 177.054 176.117 0.037 0.000 1.100 945 I CA 1.319 62.638 61.300 0.033 0.000 1.374 945 I CB 0.019 38.045 38.000 0.042 0.000 1.057 945 I HN 0.528 nan 8.210 nan 0.000 0.413 946 A N -0.408 122.407 122.820 -0.008 0.000 2.567 946 A HA 0.719 5.028 4.320 -0.019 0.000 0.291 946 A C -0.702 176.813 177.584 -0.116 0.000 1.048 946 A CA -0.838 51.199 52.037 0.001 0.000 0.661 946 A CB 1.031 20.070 19.000 0.065 0.000 1.288 946 A HN 0.179 nan 8.150 nan 0.000 0.424 947 R N 0.270 120.645 120.500 -0.208 0.000 3.003 947 R HA 0.842 5.171 4.340 -0.019 0.000 0.251 947 R C -1.721 174.306 176.300 -0.456 0.000 1.265 947 R CA -0.667 55.184 56.100 -0.415 0.000 1.026 947 R CB 1.178 31.112 30.300 -0.610 0.000 1.307 947 R HN 0.555 nan 8.270 nan 0.000 0.475 948 D N -0.069 120.033 120.400 -0.497 0.000 2.629 948 D HA 0.296 4.924 4.640 -0.019 0.000 0.250 948 D C -1.161 174.897 176.300 -0.404 0.000 1.126 948 D CA -0.612 53.217 54.000 -0.285 0.000 0.852 948 D CB 1.345 42.091 40.800 -0.090 0.000 1.335 948 D HN 0.484 nan 8.370 nan 0.000 0.518 949 F N 2.252 122.125 119.950 -0.129 0.000 2.983 949 F HA 0.346 4.861 4.527 -0.019 0.000 0.307 949 F C 0.365 176.110 175.800 -0.092 0.000 1.218 949 F CA -0.628 57.298 58.000 -0.123 0.000 1.323 949 F CB -0.055 38.857 39.000 -0.147 0.000 0.989 949 F HN 0.040 nan 8.300 nan 0.000 0.509 950 N N 0.818 119.506 118.700 -0.020 0.000 2.432 950 N HA 0.410 5.139 4.740 -0.019 0.000 0.292 950 N C -2.547 172.926 175.510 -0.062 0.000 1.193 950 N CA -1.833 51.186 53.050 -0.052 0.000 0.878 950 N CB 1.147 39.547 38.487 -0.144 0.000 1.252 950 N HN -0.229 nan 8.380 nan 0.000 0.520 951 P HA 0.224 nan 4.420 nan 0.000 0.206 951 P C -1.314 176.031 177.300 0.075 0.000 1.854 951 P CA -0.384 62.727 63.100 0.017 0.000 0.969 951 P CB -0.257 31.497 31.700 0.090 0.000 1.843 952 N N 1.060 119.752 118.700 -0.014 0.000 2.399 952 N HA 0.005 4.734 4.740 -0.019 0.000 0.259 952 N C -0.408 175.165 175.510 0.105 0.000 1.160 952 N CA -0.047 53.035 53.050 0.053 0.000 0.946 952 N CB 0.164 38.591 38.487 -0.099 0.000 1.156 952 N HN 0.199 nan 8.380 nan 0.000 0.489 953 W N 3.686 124.986 121.300 0.001 0.000 2.518 953 W HA 0.115 4.763 4.660 -0.019 0.000 0.439 953 W C 0.437 176.977 176.519 0.035 0.000 1.075 953 W CA -0.412 56.944 57.345 0.018 0.000 1.646 953 W CB -0.368 29.092 29.460 0.002 0.000 1.721 953 W HN 0.218 nan 8.180 nan 0.000 0.386 954 M N 1.767 121.493 119.600 0.210 0.000 2.219 954 M HA 0.037 4.506 4.480 -0.019 0.000 0.307 954 M C 1.398 177.783 176.300 0.143 0.000 1.116 954 M CA 0.544 55.950 55.300 0.178 0.000 1.181 954 M CB 0.393 33.126 32.600 0.221 0.000 1.410 954 M HN 0.471 nan 8.290 nan 0.000 0.454 955 S N -1.375 114.241 115.700 -0.140 0.000 2.612 955 S HA 0.597 5.056 4.470 -0.019 0.000 0.278 955 S C 0.111 174.301 174.600 -0.684 0.000 1.082 955 S CA 0.190 58.220 58.200 -0.284 0.000 1.185 955 S CB 0.459 63.359 63.200 -0.499 0.000 1.077 955 S HN 0.970 nan 8.310 nan 0.000 0.585 956 A N 0.227 122.688 122.820 -0.598 0.000 2.599 956 A HA 0.820 5.128 4.320 -0.019 0.000 0.290 956 A C -1.698 175.826 177.584 -0.100 0.000 1.101 956 A CA -0.621 51.119 52.037 -0.495 0.000 0.674 956 A CB 1.538 20.309 19.000 -0.381 0.000 1.277 956 A HN 0.818 nan 8.150 nan 0.000 0.419 957 V N 0.271 120.222 119.914 0.062 0.000 3.000 957 V HA 0.758 4.867 4.120 -0.019 0.000 0.300 957 V C -1.199 174.831 176.094 -0.108 0.000 1.251 957 V CA -0.257 61.994 62.300 -0.082 0.000 0.972 957 V CB 2.200 33.997 31.823 -0.044 0.000 1.065 957 V HN 1.205 nan 8.190 nan 0.000 0.431 958 E N 2.704 122.721 120.200 -0.305 0.000 2.390 958 E HA 0.579 4.918 4.350 -0.019 0.000 0.280 958 E C -1.762 174.798 176.600 -0.066 0.000 0.992 958 E CA -0.512 55.769 56.400 -0.199 0.000 0.790 958 E CB 1.895 31.346 29.700 -0.415 0.000 1.248 958 E HN 0.566 nan 8.360 nan 0.000 0.447 959 I N 5.671 126.305 120.570 0.106 0.000 2.301 959 I HA 0.162 4.321 4.170 -0.019 0.000 0.292 959 I C 1.079 177.279 176.117 0.139 0.000 1.046 959 I CA -0.247 61.178 61.300 0.209 0.000 1.282 959 I CB 0.623 38.783 38.000 0.267 0.000 1.409 959 I HN 0.566 nan 8.210 nan 0.000 0.484 960 L N 4.782 126.009 121.223 0.007 0.000 2.109 960 L HA 0.011 4.340 4.340 -0.019 0.000 0.207 960 L C 0.177 177.042 176.870 -0.007 0.000 1.086 960 L CA 0.891 55.728 54.840 -0.005 0.000 0.760 960 L CB -0.698 41.298 42.059 -0.105 0.000 0.910 960 L HN 0.760 nan 8.230 nan 0.000 0.437 961 D N -4.220 116.125 120.400 -0.092 0.000 2.809 961 D HA 0.007 4.635 4.640 -0.019 0.000 0.336 961 D C -0.172 176.035 176.300 -0.154 0.000 1.367 961 D CA -0.553 53.394 54.000 -0.089 0.000 0.815 961 D CB 0.275 41.020 40.800 -0.092 0.000 1.381 961 D HN -0.209 nan 8.370 nan 0.000 0.471 962 D N -0.633 119.713 120.400 -0.089 0.000 2.244 962 D HA -0.126 4.503 4.640 -0.019 0.000 0.197 962 D C 0.337 176.547 176.300 -0.149 0.000 1.006 962 D CA 2.237 56.210 54.000 -0.045 0.000 0.888 962 D CB -0.104 40.674 40.800 -0.036 0.000 0.912 962 D HN 0.495 nan 8.370 nan 0.000 0.452 963 D N -2.088 118.089 120.400 -0.371 0.000 2.473 963 D HA 0.091 4.719 4.640 -0.019 0.000 0.242 963 D C -0.294 175.407 176.300 -0.997 0.000 1.106 963 D CA -0.214 53.468 54.000 -0.531 0.000 0.854 963 D CB 0.265 40.916 40.800 -0.248 0.000 1.192 963 D HN -0.048 nan 8.370 nan 0.000 0.503 964 N N 0.648 118.848 118.700 -0.834 0.000 2.439 964 N HA 0.320 5.048 4.740 -0.019 0.000 0.249 964 N C -1.363 173.719 175.510 -0.713 0.000 1.003 964 N CA -0.194 52.443 53.050 -0.688 0.000 0.942 964 N CB 0.385 38.655 38.487 -0.362 0.000 1.115 964 N HN -0.035 nan 8.380 nan 0.000 0.505 965 F N 2.045 121.937 119.950 -0.097 0.000 2.402 965 F HA 0.390 4.906 4.527 -0.019 0.000 0.355 965 F C 0.432 176.091 175.800 -0.234 0.000 1.123 965 F CA -0.949 56.968 58.000 -0.139 0.000 1.021 965 F CB 1.284 40.228 39.000 -0.092 0.000 1.160 965 F HN 0.066 nan 8.300 nan 0.000 0.451 966 L N 2.823 123.927 121.223 -0.198 0.000 2.357 966 L HA 0.826 5.155 4.340 -0.019 0.000 0.273 966 L C 0.049 176.528 176.870 -0.652 0.000 1.080 966 L CA -0.182 54.388 54.840 -0.450 0.000 0.803 966 L CB 1.449 43.139 42.059 -0.614 0.000 1.174 966 L HN 0.830 nan 8.230 nan 0.000 0.443 967 G N 2.575 110.863 108.800 -0.854 0.000 2.753 967 G HA2 0.659 4.608 3.960 -0.019 0.000 0.297 967 G HA3 0.659 4.608 3.960 -0.019 0.000 0.297 967 G C -1.683 172.892 174.900 -0.542 0.000 1.430 967 G CA -0.220 44.370 45.100 -0.851 0.000 1.040 967 G HN 0.848 nan 8.290 nan 0.000 0.530 968 A N 1.332 124.097 122.820 -0.093 0.000 2.337 968 A HA 0.960 5.269 4.320 -0.019 0.000 0.331 968 A C -0.314 177.226 177.584 -0.073 0.000 1.137 968 A CA -0.620 51.371 52.037 -0.077 0.000 0.807 968 A CB 1.974 20.865 19.000 -0.182 0.000 1.250 968 A HN 0.965 nan 8.150 nan 0.000 0.468 969 E N 1.427 121.547 120.200 -0.135 0.000 2.392 969 E HA 0.156 4.495 4.350 -0.019 0.000 0.279 969 E C 0.023 176.453 176.600 -0.284 0.000 0.964 969 E CA -0.645 55.686 56.400 -0.116 0.000 0.777 969 E CB 0.826 30.600 29.700 0.123 0.000 1.249 969 E HN 0.556 nan 8.360 nan 0.000 0.449 970 N N 2.207 120.793 118.700 -0.190 0.000 2.118 970 N HA -0.335 4.393 4.740 -0.019 0.000 0.156 970 N C 1.040 176.250 175.510 -0.499 0.000 0.655 970 N CA 3.721 56.665 53.050 -0.178 0.000 0.880 970 N CB -0.341 38.104 38.487 -0.069 0.000 0.923 970 N HN 0.599 nan 8.380 nan 0.000 1.180 971 A N -1.805 120.712 122.820 -0.504 0.000 2.507 971 A HA 0.409 4.718 4.320 -0.019 0.000 0.270 971 A C -0.016 177.222 177.584 -0.578 0.000 1.318 971 A CA -0.039 51.594 52.037 -0.674 0.000 0.924 971 A CB -0.600 18.215 19.000 -0.307 0.000 1.061 971 A HN 0.425 nan 8.150 nan 0.000 0.516 972 F N -1.493 118.340 119.950 -0.196 0.000 2.965 972 F HA -0.201 4.315 4.527 -0.018 0.000 0.287 972 F C 0.030 175.506 175.800 -0.540 0.000 0.790 972 F CA 0.122 57.922 58.000 -0.334 0.000 1.279 972 F CB -2.147 36.663 39.000 -0.316 0.000 1.409 972 F HN 0.355 nan 8.300 nan 0.000 0.446 973 N N 1.423 119.930 118.700 -0.321 0.000 2.319 973 N HA 0.763 5.492 4.740 -0.019 0.000 0.305 973 N C -0.368 175.043 175.510 -0.166 0.000 1.103 973 N CA -0.603 52.221 53.050 -0.377 0.000 0.815 973 N CB 2.254 40.256 38.487 -0.809 0.000 1.288 973 N HN 0.099 nan 8.380 nan 0.000 0.493 974 L N 1.347 122.493 121.223 -0.129 0.000 2.352 974 L HA 0.646 4.975 4.340 -0.019 0.000 0.269 974 L C -0.585 176.381 176.870 0.160 0.000 1.034 974 L CA -0.951 53.817 54.840 -0.119 0.000 0.806 974 L CB 0.754 42.553 42.059 -0.433 0.000 1.244 974 L HN 0.564 nan 8.230 nan 0.000 0.447 975 F N -0.060 119.956 119.950 0.110 0.000 2.654 975 F HA 0.776 5.291 4.527 -0.019 0.000 0.308 975 F C -1.575 174.368 175.800 0.237 0.000 1.108 975 F CA -0.997 57.153 58.000 0.250 0.000 0.957 975 F CB 1.181 40.334 39.000 0.255 0.000 1.309 975 F HN 0.023 nan 8.300 nan 0.000 0.446 976 V N 1.606 121.745 119.914 0.375 0.000 2.680 976 V HA 0.626 4.734 4.120 -0.019 0.000 0.309 976 V C -0.820 175.389 176.094 0.192 0.000 1.052 976 V CA -0.667 61.719 62.300 0.143 0.000 0.908 976 V CB 1.829 33.668 31.823 0.027 0.000 1.001 976 V HN 1.124 nan 8.190 nan 0.000 0.431 977 C N 3.928 123.315 119.300 0.146 0.000 2.563 977 C HA 0.805 5.253 4.460 -0.019 0.000 0.314 977 C C -0.336 174.694 174.990 0.068 0.000 1.199 977 C CA -0.722 58.409 59.018 0.190 0.000 1.564 977 C CB 1.380 29.323 27.740 0.339 0.000 2.173 977 C HN 1.007 nan 8.230 nan 0.000 0.485 978 Q N 2.174 121.997 119.800 0.038 0.000 2.421 978 Q HA 0.554 4.883 4.340 -0.019 0.000 0.280 978 Q C -1.298 174.744 176.000 0.069 0.000 1.085 978 Q CA -0.859 54.920 55.803 -0.040 0.000 0.807 978 Q CB 1.585 30.235 28.738 -0.146 0.000 1.405 978 Q HN 0.664 nan 8.270 nan 0.000 0.419 979 K N 1.516 121.973 120.400 0.095 0.000 2.322 979 K HA 0.124 4.433 4.320 -0.019 0.000 0.283 979 K C -0.570 176.067 176.600 0.063 0.000 1.042 979 K CA -0.420 55.937 56.287 0.116 0.000 0.958 979 K CB 0.809 33.394 32.500 0.143 0.000 0.984 979 K HN 0.703 nan 8.250 nan 0.000 0.473 980 D N 1.853 122.296 120.400 0.073 0.000 2.533 980 D HA -0.080 4.548 4.640 -0.019 0.000 0.236 980 D C -0.773 175.546 176.300 0.031 0.000 1.137 980 D CA 0.504 54.530 54.000 0.044 0.000 0.867 980 D CB 0.490 41.322 40.800 0.053 0.000 1.170 980 D HN 0.443 nan 8.370 nan 0.000 0.474 981 S N 2.115 117.821 115.700 0.011 0.000 3.170 981 S HA 0.608 5.067 4.470 -0.019 0.000 0.257 981 S C -0.384 174.219 174.600 0.004 0.000 1.284 981 S CA -0.472 57.732 58.200 0.007 0.000 0.973 981 S CB 0.068 63.266 63.200 -0.004 0.000 1.330 981 S HN 0.564 nan 8.310 nan 0.000 0.493 982 A N 1.869 124.695 122.820 0.009 0.000 2.587 982 A HA 0.908 5.216 4.320 -0.019 0.000 0.293 982 A C -0.033 177.553 177.584 0.004 0.000 1.087 982 A CA -0.698 51.341 52.037 0.003 0.000 0.692 982 A CB 0.659 19.657 19.000 -0.002 0.000 1.291 982 A HN 0.732 nan 8.150 nan 0.000 0.407 983 A N 0.332 123.152 122.820 -0.001 0.000 2.433 983 A HA 0.519 4.828 4.320 -0.019 0.000 0.250 983 A C 1.323 178.905 177.584 -0.003 0.000 1.113 983 A CA 1.317 53.353 52.037 -0.001 0.000 0.794 983 A CB -0.790 18.208 19.000 -0.004 0.000 1.067 983 A HN 2.783 nan 8.150 nan 0.000 0.510 984 T N -2.944 111.608 114.554 -0.003 0.000 4.194 984 T HA -0.215 4.123 4.350 -0.019 0.000 0.339 984 T C 0.354 175.054 174.700 0.001 0.000 0.757 984 T CA 1.568 63.665 62.100 -0.006 0.000 1.931 984 T CB -3.034 65.823 68.868 -0.017 0.000 1.886 984 T HN 2.418 nan 8.240 nan 0.000 0.878 985 T N -1.791 112.769 114.554 0.010 0.000 4.678 985 T HA 0.374 4.713 4.350 -0.019 0.000 0.230 985 T C 0.477 175.196 174.700 0.031 0.000 0.757 985 T CA 0.519 62.632 62.100 0.023 0.000 0.966 985 T CB -0.150 68.734 68.868 0.026 0.000 1.424 985 T HN 0.551 nan 8.240 nan 0.000 0.886 986 D N -0.238 120.179 120.400 0.028 0.000 2.409 986 D HA 0.145 4.773 4.640 -0.019 0.000 0.301 986 D C 1.716 178.047 176.300 0.052 0.000 1.095 986 D CA -0.072 53.953 54.000 0.041 0.000 0.929 986 D CB 0.253 41.071 40.800 0.030 0.000 1.623 986 D HN 0.407 nan 8.370 nan 0.000 0.506 987 E N 1.135 121.342 120.200 0.011 0.000 2.065 987 E HA 0.071 4.410 4.350 -0.019 0.000 0.191 987 E C 1.456 178.017 176.600 -0.066 0.000 0.960 987 E CA 0.923 57.305 56.400 -0.030 0.000 0.824 987 E CB 0.089 29.725 29.700 -0.107 0.000 0.793 987 E HN 0.102 nan 8.360 nan 0.000 0.459 988 E N -0.200 119.954 120.200 -0.076 0.000 2.267 988 E HA -0.216 4.122 4.350 -0.019 0.000 0.197 988 E C 1.882 178.513 176.600 0.052 0.000 0.998 988 E CA 0.772 57.144 56.400 -0.047 0.000 0.830 988 E CB 0.044 29.723 29.700 -0.036 0.000 0.751 988 E HN -0.067 nan 8.360 nan 0.000 0.491 989 R N 0.511 121.057 120.500 0.076 0.000 2.140 989 R HA -0.012 4.316 4.340 -0.019 0.000 0.213 989 R C 1.550 177.950 176.300 0.166 0.000 1.059 989 R CA 0.866 57.029 56.100 0.105 0.000 1.000 989 R CB 0.172 30.519 30.300 0.078 0.000 0.910 989 R HN -0.081 nan 8.270 nan 0.000 0.455 990 Q N -0.029 119.909 119.800 0.229 0.000 2.373 990 Q HA 0.114 4.443 4.340 -0.019 0.000 0.206 990 Q C -0.830 175.464 176.000 0.491 0.000 0.942 990 Q CA 0.370 56.357 55.803 0.307 0.000 0.953 990 Q CB 0.062 28.983 28.738 0.306 0.000 1.022 990 Q HN 0.422 nan 8.270 nan 0.000 0.502 991 H N -0.878 118.325 119.070 0.221 0.000 2.797 991 H HA 0.530 5.075 4.556 -0.019 0.000 0.372 991 H C -1.216 174.210 175.328 0.164 0.000 1.168 991 H CA -1.308 54.914 56.048 0.291 0.000 1.163 991 H CB 1.610 31.520 29.762 0.246 0.000 1.778 991 H HN -0.044 nan 8.280 nan 0.000 0.551 992 L N 0.048 121.415 121.223 0.240 0.000 2.431 992 L HA 0.483 4.812 4.340 -0.019 0.000 0.266 992 L C -0.710 176.251 176.870 0.151 0.000 0.978 992 L CA -1.077 53.865 54.840 0.171 0.000 0.822 992 L CB 1.632 43.792 42.059 0.169 0.000 1.310 992 L HN 0.410 nan 8.230 nan 0.000 0.409 993 Q N 0.963 120.831 119.800 0.114 0.000 2.222 993 Q HA 0.426 4.754 4.340 -0.019 0.000 0.252 993 Q C -0.598 175.445 176.000 0.071 0.000 0.926 993 Q CA -0.244 55.609 55.803 0.083 0.000 0.899 993 Q CB 1.703 30.471 28.738 0.049 0.000 1.250 993 Q HN 0.581 nan 8.270 nan 0.000 0.441 994 E N 1.979 122.206 120.200 0.045 0.000 1.858 994 E HA -0.025 4.314 4.350 -0.019 0.000 0.278 994 E C 0.637 177.256 176.600 0.033 0.000 1.172 994 E CA 0.019 56.448 56.400 0.048 0.000 1.127 994 E CB -0.042 29.617 29.700 -0.068 0.000 1.084 994 E HN 0.529 nan 8.360 nan 0.000 0.455 995 V N 0.086 120.023 119.914 0.039 0.000 3.041 995 V HA 0.132 4.241 4.120 -0.019 0.000 0.260 995 V C 0.854 176.946 176.094 -0.003 0.000 1.105 995 V CA 0.812 63.099 62.300 -0.022 0.000 1.125 995 V CB 0.201 31.968 31.823 -0.093 0.000 0.730 995 V HN 0.319 nan 8.190 nan 0.000 0.479 996 G N 0.610 109.476 108.800 0.110 0.000 2.609 996 G HA2 0.697 4.646 3.960 -0.019 0.000 0.308 996 G HA3 0.697 4.646 3.960 -0.019 0.000 0.308 996 G C -1.327 173.893 174.900 0.533 0.000 1.369 996 G CA -0.667 44.597 45.100 0.274 0.000 0.958 996 G HN 0.274 nan 8.290 nan 0.000 0.499 997 L N 1.308 122.865 121.223 0.557 0.000 2.388 997 L HA 0.779 5.107 4.340 -0.019 0.000 0.264 997 L C -1.284 175.876 176.870 0.482 0.000 0.998 997 L CA -0.980 54.141 54.840 0.468 0.000 0.817 997 L CB 2.764 44.941 42.059 0.196 0.000 1.338 997 L HN 0.550 nan 8.230 nan 0.000 0.414 998 F N 0.408 120.414 119.950 0.093 0.000 2.680 998 F HA 0.268 4.783 4.527 -0.020 0.000 0.315 998 F C -1.080 174.575 175.800 -0.242 0.000 1.099 998 F CA -0.589 57.287 58.000 -0.206 0.000 1.033 998 F CB 1.382 39.931 39.000 -0.751 0.000 1.285 998 F HN 0.492 nan 8.300 nan 0.000 0.457 999 H N 6.505 125.063 119.070 -0.853 0.000 2.641 999 H HA 0.388 4.933 4.556 -0.019 0.000 0.295 999 H C 0.326 175.134 175.328 -0.867 0.000 1.070 999 H CA -0.171 55.417 56.048 -0.766 0.000 1.257 999 H CB 1.027 30.314 29.762 -0.791 0.000 1.393 999 H HN 0.773 nan 8.280 nan 0.000 0.464 1000 L N 3.736 124.597 121.223 -0.602 0.000 2.005 1000 L HA 0.030 4.358 4.340 -0.019 0.000 0.207 1000 L C 1.420 178.036 176.870 -0.423 0.000 1.072 1000 L CA 1.910 56.572 54.840 -0.297 0.000 0.744 1000 L CB -0.351 41.593 42.059 -0.191 0.000 0.895 1000 L HN 1.055 nan 8.230 nan 0.000 0.433 1001 G N -0.809 107.632 108.800 -0.599 0.000 2.179 1001 G HA2 -0.156 3.792 3.960 -0.019 0.000 0.220 1001 G HA3 -0.156 3.792 3.960 -0.019 0.000 0.220 1001 G C 0.077 174.825 174.900 -0.252 0.000 0.990 1001 G CA -0.098 44.831 45.100 -0.285 0.000 0.646 1001 G HN 0.376 nan 8.290 nan 0.000 0.517 1002 E N -1.171 118.917 120.200 -0.186 0.000 2.410 1002 E HA 0.672 5.011 4.350 -0.019 0.000 0.269 1002 E C -1.404 175.287 176.600 0.153 0.000 0.937 1002 E CA -0.908 55.443 56.400 -0.081 0.000 0.793 1002 E CB 2.024 31.749 29.700 0.042 0.000 1.314 1002 E HN 0.224 nan 8.360 nan 0.000 0.447 1003 F N 1.252 121.255 119.950 0.089 0.000 2.427 1003 F HA 0.346 4.862 4.527 -0.019 0.000 0.348 1003 F C -0.840 174.962 175.800 0.003 0.000 1.125 1003 F CA -0.735 57.384 58.000 0.197 0.000 0.989 1003 F CB 0.951 40.138 39.000 0.312 0.000 1.165 1003 F HN 0.045 nan 8.300 nan 0.000 0.442 1004 V N 7.439 127.135 119.914 -0.364 0.000 2.348 1004 V HA 0.114 4.222 4.120 -0.019 0.000 0.270 1004 V C 0.614 176.533 176.094 -0.292 0.000 1.037 1004 V CA -0.447 61.654 62.300 -0.331 0.000 0.872 1004 V CB 0.875 32.284 31.823 -0.689 0.000 1.002 1004 V HN 0.809 nan 8.190 nan 0.000 0.464 1005 N N 2.950 121.635 118.700 -0.025 0.000 2.300 1005 N HA 0.003 4.732 4.740 -0.019 0.000 0.179 1005 N C 0.187 175.618 175.510 -0.131 0.000 1.016 1005 N CA 0.905 53.964 53.050 0.015 0.000 0.876 1005 N CB 0.964 39.506 38.487 0.092 0.000 0.979 1005 N HN 0.524 nan 8.380 nan 0.000 0.432 1006 V N 0.275 120.051 119.914 -0.230 0.000 2.817 1006 V HA 0.432 4.541 4.120 -0.019 0.000 0.303 1006 V C -1.594 174.345 176.094 -0.258 0.000 1.151 1006 V CA -0.834 61.360 62.300 -0.176 0.000 0.929 1006 V CB 1.033 32.832 31.823 -0.040 0.000 1.030 1006 V HN -0.108 nan 8.190 nan 0.000 0.427 1007 F N 5.356 125.298 119.950 -0.014 0.000 2.450 1007 F HA 0.915 5.430 4.527 -0.019 0.000 0.328 1007 F C 0.515 176.312 175.800 -0.005 0.000 1.068 1007 F CA 0.459 58.456 58.000 -0.005 0.000 1.007 1007 F CB 1.837 40.793 39.000 -0.073 0.000 1.251 1007 F HN 1.029 nan 8.300 nan 0.000 0.492 1008 C N -0.680 118.727 119.300 0.178 0.000 3.224 1008 C HA 0.317 4.766 4.460 -0.019 0.000 0.348 1008 C C -1.401 173.578 174.990 -0.018 0.000 1.242 1008 C CA -1.157 57.913 59.018 0.086 0.000 1.180 1008 C CB 0.706 28.522 27.740 0.127 0.000 1.458 1008 C HN 0.833 nan 8.230 nan 0.000 0.485 1009 H N 1.237 120.371 119.070 0.106 0.000 2.683 1009 H HA 0.599 5.144 4.556 -0.019 0.000 0.339 1009 H C 0.786 176.155 175.328 0.069 0.000 1.081 1009 H CA 1.879 57.974 56.048 0.079 0.000 1.432 1009 H CB 1.320 31.119 29.762 0.063 0.000 1.462 1009 H HN 1.458 nan 8.280 nan 0.000 0.557 1010 G N 0.576 109.464 108.800 0.147 0.000 2.359 1010 G HA2 0.248 4.197 3.960 -0.019 0.000 0.293 1010 G HA3 0.248 4.197 3.960 -0.019 0.000 0.293 1010 G C -1.431 173.507 174.900 0.064 0.000 1.300 1010 G CA -0.215 44.944 45.100 0.098 0.000 0.888 1010 G HN 0.664 nan 8.290 nan 0.000 0.541 1011 S N -1.868 113.861 115.700 0.048 0.000 2.565 1011 S HA 0.633 5.092 4.470 -0.019 0.000 0.269 1011 S C -0.065 174.552 174.600 0.028 0.000 1.153 1011 S CA -0.540 57.682 58.200 0.037 0.000 0.835 1011 S CB 1.373 64.595 63.200 0.036 0.000 1.122 1011 S HN 0.925 nan 8.310 nan 0.000 0.462 1012 L N 2.410 123.649 121.223 0.026 0.000 2.728 1012 L HA 0.338 4.666 4.340 -0.019 0.000 0.238 1012 L C 0.116 176.994 176.870 0.012 0.000 1.143 1012 L CA -0.084 54.767 54.840 0.017 0.000 0.937 1012 L CB 0.591 42.659 42.059 0.015 0.000 1.225 1012 L HN 0.531 nan 8.230 nan 0.000 0.507 1013 V N -3.140 116.782 119.914 0.014 0.000 3.229 1013 V HA 0.782 4.891 4.120 -0.019 0.000 0.310 1013 V C 0.057 176.150 176.094 -0.002 0.000 1.206 1013 V CA -1.224 61.077 62.300 0.002 0.000 1.051 1013 V CB 1.540 33.364 31.823 0.003 0.000 1.183 1013 V HN 0.409 nan 8.190 nan 0.000 0.466 1014 M N -1.894 117.699 119.600 -0.011 0.000 7.319 1014 M HA -0.106 4.363 4.480 -0.019 0.000 0.157 1014 M C -0.371 175.923 176.300 -0.011 0.000 0.480 1014 M CA 0.621 55.913 55.300 -0.013 0.000 1.311 1014 M CB -1.674 30.919 32.600 -0.011 0.000 0.421 1014 M HN 1.187 nan 8.290 nan 0.000 0.194 1024 T N -1.810 112.470 114.554 -0.456 0.000 2.812 1024 T HA 0.756 5.095 4.350 -0.019 0.000 0.294 1024 T C -1.398 173.183 174.700 -0.199 0.000 1.159 1024 T CA -0.609 61.302 62.100 -0.316 0.000 1.008 1024 T CB 2.842 71.543 68.868 -0.280 0.000 1.289 1024 T HN 0.209 nan 8.240 nan 0.000 0.514 1025 Q N -0.249 119.472 119.800 -0.131 0.000 2.284 1025 Q HA 0.511 4.840 4.340 -0.019 0.000 0.269 1025 Q C -0.045 175.930 176.000 -0.041 0.000 1.026 1025 Q CA 0.084 55.836 55.803 -0.085 0.000 0.831 1025 Q CB 1.539 30.228 28.738 -0.083 0.000 1.322 1025 Q HN 1.618 nan 8.270 nan 0.000 0.419 1026 G N 1.621 110.412 108.800 -0.016 0.000 2.855 1026 G HA2 -0.130 3.819 3.960 -0.019 0.000 0.352 1026 G HA3 -0.130 3.819 3.960 -0.019 0.000 0.352 1026 G C -0.801 174.120 174.900 0.035 0.000 1.415 1026 G CA -0.091 45.028 45.100 0.031 0.000 0.871 1026 G HN 0.962 nan 8.290 nan 0.000 0.543 1027 S N -1.665 114.077 115.700 0.069 0.000 2.561 1027 S HA 0.496 4.954 4.470 -0.019 0.000 0.292 1027 S C -0.960 173.663 174.600 0.038 0.000 1.107 1027 S CA 0.160 58.392 58.200 0.053 0.000 0.969 1027 S CB 1.233 64.462 63.200 0.048 0.000 1.150 1027 S HN 1.737 nan 8.310 nan 0.000 0.451 1028 V N 6.280 126.200 119.914 0.011 0.000 2.448 1028 V HA 0.582 4.690 4.120 -0.019 0.000 0.295 1028 V C -0.258 175.898 176.094 0.103 0.000 1.025 1028 V CA -0.554 61.721 62.300 -0.043 0.000 0.859 1028 V CB 1.571 33.341 31.823 -0.088 0.000 0.988 1028 V HN 0.833 nan 8.190 nan 0.000 0.431 1029 L N 5.543 126.818 121.223 0.087 0.000 2.344 1029 L HA 0.734 5.063 4.340 -0.019 0.000 0.272 1029 L C -0.596 176.369 176.870 0.159 0.000 1.035 1029 L CA -0.516 54.352 54.840 0.048 0.000 0.807 1029 L CB 1.543 43.583 42.059 -0.031 0.000 1.237 1029 L HN 0.708 nan 8.230 nan 0.000 0.442 1030 F N -0.837 119.095 119.950 -0.030 0.000 2.588 1030 F HA 0.921 5.436 4.527 -0.019 0.000 0.314 1030 F C -0.073 175.644 175.800 -0.137 0.000 1.069 1030 F CA -0.915 56.992 58.000 -0.154 0.000 0.931 1030 F CB 1.596 40.403 39.000 -0.322 0.000 1.260 1030 F HN 0.370 nan 8.300 nan 0.000 0.465 1031 G N 0.124 108.944 108.800 0.034 0.000 2.482 1031 G HA2 0.619 4.567 3.960 -0.019 0.000 0.317 1031 G HA3 0.619 4.567 3.960 -0.019 0.000 0.317 1031 G C -1.357 173.577 174.900 0.056 0.000 1.241 1031 G CA -0.718 44.380 45.100 -0.003 0.000 0.967 1031 G HN 1.016 nan 8.290 nan 0.000 0.482 1032 T N -1.805 112.791 114.554 0.071 0.000 2.930 1032 T HA 0.406 4.745 4.350 -0.019 0.000 0.290 1032 T C 1.097 175.848 174.700 0.085 0.000 1.052 1032 T CA -0.556 61.617 62.100 0.122 0.000 1.017 1032 T CB 1.561 70.516 68.868 0.144 0.000 1.137 1032 T HN 0.287 nan 8.240 nan 0.000 0.511 1033 V N 1.567 121.551 119.914 0.118 0.000 2.688 1033 V HA -0.106 4.003 4.120 -0.019 0.000 0.256 1033 V C 2.059 178.143 176.094 -0.016 0.000 1.084 1033 V CA 1.724 64.029 62.300 0.009 0.000 1.103 1033 V CB -0.915 30.861 31.823 -0.078 0.000 0.688 1033 V HN 0.804 nan 8.190 nan 0.000 0.480 1034 N N -1.034 117.667 118.700 0.002 0.000 2.322 1034 N HA 0.167 4.896 4.740 -0.019 0.000 0.181 1034 N C 1.467 176.966 175.510 -0.017 0.000 1.088 1034 N CA 1.089 54.129 53.050 -0.017 0.000 0.885 1034 N CB 1.413 39.889 38.487 -0.017 0.000 1.013 1034 N HN 0.488 nan 8.380 nan 0.000 0.472 1035 G N -0.125 108.665 108.800 -0.015 0.000 2.352 1035 G HA2 -0.210 3.739 3.960 -0.019 0.000 0.204 1035 G HA3 -0.210 3.739 3.960 -0.019 0.000 0.204 1035 G C 0.222 175.103 174.900 -0.032 0.000 1.004 1035 G CA -0.109 44.974 45.100 -0.028 0.000 0.648 1035 G HN 0.210 nan 8.290 nan 0.000 0.491 1036 M N 1.812 121.403 119.600 -0.014 0.000 2.248 1036 M HA 0.330 4.798 4.480 -0.019 0.000 0.343 1036 M C -0.286 175.966 176.300 -0.079 0.000 1.243 1036 M CA 0.844 56.130 55.300 -0.022 0.000 1.025 1036 M CB -0.021 32.596 32.600 0.029 0.000 1.759 1036 M HN 0.264 nan 8.290 nan 0.000 0.452 1037 I N 4.657 125.135 120.570 -0.153 0.000 2.382 1037 I HA 0.376 4.535 4.170 -0.019 0.000 0.286 1037 I C 0.621 176.431 176.117 -0.512 0.000 1.002 1037 I CA -0.587 60.531 61.300 -0.303 0.000 1.135 1037 I CB 1.711 39.585 38.000 -0.210 0.000 1.288 1037 I HN 0.768 nan 8.210 nan 0.000 0.448 1038 G N 5.703 113.766 108.800 -1.228 0.000 2.557 1038 G HA2 0.703 4.652 3.960 -0.019 0.000 0.302 1038 G HA3 0.703 4.652 3.960 -0.019 0.000 0.302 1038 G C -1.295 172.945 174.900 -1.098 0.000 1.311 1038 G CA -0.403 43.856 45.100 -1.401 0.000 1.030 1038 G HN 0.456 nan 8.290 nan 0.000 0.509 1039 L N -0.822 120.142 121.223 -0.431 0.000 2.455 1039 L HA 0.728 5.057 4.340 -0.019 0.000 0.264 1039 L C -1.222 175.770 176.870 0.204 0.000 0.968 1039 L CA -0.789 54.010 54.840 -0.069 0.000 0.827 1039 L CB 2.287 44.299 42.059 -0.079 0.000 1.317 1039 L HN 0.344 nan 8.230 nan 0.000 0.407 1040 V N 3.922 123.992 119.914 0.261 0.000 2.409 1040 V HA 0.732 4.841 4.120 -0.019 0.000 0.291 1040 V C 0.147 176.322 176.094 0.135 0.000 1.020 1040 V CA -0.078 62.358 62.300 0.227 0.000 0.848 1040 V CB 1.564 33.520 31.823 0.221 0.000 0.990 1040 V HN 1.000 nan 8.190 nan 0.000 0.430 1041 T N 2.516 117.161 114.554 0.151 0.000 2.905 1041 T HA 0.585 4.924 4.350 -0.019 0.000 0.283 1041 T C -0.160 174.572 174.700 0.053 0.000 1.031 1041 T CA -0.619 61.524 62.100 0.073 0.000 1.002 1041 T CB 1.827 70.706 68.868 0.019 0.000 1.200 1041 T HN 0.560 nan 8.240 nan 0.000 0.560 1042 S N 0.173 115.874 115.700 0.001 0.000 2.621 1042 S HA 0.788 5.247 4.470 -0.019 0.000 0.302 1042 S C -0.929 173.667 174.600 -0.007 0.000 1.093 1042 S CA -0.713 57.486 58.200 -0.001 0.000 1.017 1042 S CB 0.768 63.950 63.200 -0.029 0.000 1.077 1042 S HN 0.418 nan 8.310 nan 0.000 0.517 1043 L N 1.318 122.577 121.223 0.059 0.000 2.333 1043 L HA 0.563 4.891 4.340 -0.019 0.000 0.263 1043 L C 0.170 177.062 176.870 0.036 0.000 1.014 1043 L CA -0.783 54.091 54.840 0.057 0.000 0.820 1043 L CB 2.139 44.326 42.059 0.213 0.000 1.352 1043 L HN 0.757 nan 8.230 nan 0.000 0.421 1044 S N -0.164 115.515 115.700 -0.035 0.000 2.564 1044 S HA 0.062 4.520 4.470 -0.019 0.000 0.278 1044 S C 1.048 175.561 174.600 -0.145 0.000 1.333 1044 S CA -0.334 57.837 58.200 -0.047 0.000 1.048 1044 S CB 1.069 64.245 63.200 -0.040 0.000 0.900 1044 S HN 0.751 nan 8.310 nan 0.000 0.505 1045 E N 3.399 123.366 120.200 -0.389 0.000 2.114 1045 E HA -0.273 4.066 4.350 -0.019 0.000 0.199 1045 E C 1.780 178.203 176.600 -0.295 0.000 1.008 1045 E CA 2.188 58.088 56.400 -0.833 0.000 0.810 1045 E CB -1.360 28.038 29.700 -0.502 0.000 0.739 1045 E HN 0.816 nan 8.360 nan 0.000 0.456 1046 S N 0.007 115.663 115.700 -0.073 0.000 2.348 1046 S HA -0.169 4.290 4.470 -0.019 0.000 0.221 1046 S C 1.949 176.596 174.600 0.079 0.000 1.033 1046 S CA 1.042 59.261 58.200 0.031 0.000 1.010 1046 S CB -1.145 62.113 63.200 0.095 0.000 0.891 1046 S HN 0.400 nan 8.310 nan 0.000 0.442 1047 W N 1.316 122.563 121.300 -0.088 0.000 2.335 1047 W HA -0.004 4.646 4.660 -0.017 0.000 0.311 1047 W C 2.429 178.923 176.519 -0.041 0.000 1.213 1047 W CA 0.803 58.109 57.345 -0.065 0.000 1.274 1047 W CB -1.251 28.170 29.460 -0.065 0.000 1.148 1047 W HN 0.423 nan 8.180 nan 0.000 0.498 1048 Y N 1.862 122.193 120.300 0.053 0.000 1.977 1048 Y HA -0.444 4.096 4.550 -0.017 0.000 0.264 1048 Y C 2.405 178.285 175.900 -0.033 0.000 1.167 1048 Y CA 2.618 60.711 58.100 -0.012 0.000 1.102 1048 Y CB -1.047 37.291 38.460 -0.204 0.000 0.948 1048 Y HN -0.129 nan 8.280 nan 0.000 0.489 1049 N N 0.735 119.533 118.700 0.163 0.000 2.037 1049 N HA -0.295 4.433 4.740 -0.019 0.000 0.196 1049 N C 2.095 177.556 175.510 -0.082 0.000 1.034 1049 N CA 1.872 54.966 53.050 0.074 0.000 0.861 1049 N CB -1.003 37.530 38.487 0.076 0.000 1.039 1049 N HN 0.509 nan 8.380 nan 0.000 0.427 1050 L N 0.951 122.095 121.223 -0.132 0.000 2.021 1050 L HA -0.195 4.134 4.340 -0.019 0.000 0.215 1050 L C 2.221 178.960 176.870 -0.217 0.000 1.074 1050 L CA 1.268 55.983 54.840 -0.207 0.000 0.760 1050 L CB -0.229 41.621 42.059 -0.348 0.000 0.889 1050 L HN 0.174 nan 8.230 nan 0.000 0.433 1051 L N -1.122 119.966 121.223 -0.226 0.000 2.109 1051 L HA -0.240 4.089 4.340 -0.019 0.000 0.207 1051 L C 2.445 179.187 176.870 -0.214 0.000 1.086 1051 L CA 0.789 55.508 54.840 -0.202 0.000 0.760 1051 L CB -0.316 41.675 42.059 -0.113 0.000 0.910 1051 L HN 0.321 nan 8.230 nan 0.000 0.437 1052 L N -0.019 121.016 121.223 -0.312 0.000 2.046 1052 L HA -0.287 4.041 4.340 -0.019 0.000 0.208 1052 L C 2.120 178.920 176.870 -0.117 0.000 1.077 1052 L CA 1.790 56.480 54.840 -0.251 0.000 0.747 1052 L CB -0.155 41.741 42.059 -0.272 0.000 0.896 1052 L HN 0.334 nan 8.230 nan 0.000 0.432 1053 D N -0.269 120.069 120.400 -0.102 0.000 2.120 1053 D HA -0.337 4.291 4.640 -0.019 0.000 0.191 1053 D C 2.253 178.507 176.300 -0.076 0.000 0.994 1053 D CA 2.142 56.102 54.000 -0.066 0.000 0.838 1053 D CB -0.159 40.600 40.800 -0.068 0.000 0.976 1053 D HN 0.249 nan 8.370 nan 0.000 0.447 1054 M N -0.057 119.476 119.600 -0.111 0.000 2.346 1054 M HA -0.224 4.245 4.480 -0.019 0.000 0.263 1054 M C 1.977 178.224 176.300 -0.087 0.000 1.064 1054 M CA 1.325 56.557 55.300 -0.114 0.000 1.083 1054 M CB -0.035 32.451 32.600 -0.190 0.000 1.399 1054 M HN 0.183 nan 8.290 nan 0.000 0.435 1055 Q N 0.239 119.980 119.800 -0.097 0.000 2.020 1055 Q HA -0.190 4.139 4.340 -0.019 0.000 0.202 1055 Q C 1.578 177.524 176.000 -0.090 0.000 0.982 1055 Q CA 2.184 57.925 55.803 -0.104 0.000 0.838 1055 Q CB -0.202 28.473 28.738 -0.105 0.000 0.899 1055 Q HN 0.721 nan 8.270 nan 0.000 0.423 1056 N N -0.292 118.376 118.700 -0.052 0.000 2.166 1056 N HA -0.128 4.601 4.740 -0.019 0.000 0.186 1056 N C 1.776 177.283 175.510 -0.005 0.000 1.019 1056 N CA 0.599 53.638 53.050 -0.018 0.000 0.856 1056 N CB 0.051 38.541 38.487 0.005 0.000 0.993 1056 N HN 0.141 nan 8.380 nan 0.000 0.426 1057 R N 0.920 121.416 120.500 -0.006 0.000 2.075 1057 R HA -0.046 4.282 4.340 -0.019 0.000 0.232 1057 R C 2.186 178.503 176.300 0.029 0.000 1.126 1057 R CA 0.741 56.850 56.100 0.014 0.000 0.963 1057 R CB -0.714 29.595 30.300 0.014 0.000 0.858 1057 R HN 0.273 nan 8.270 nan 0.000 0.435 1058 L N 1.477 122.715 121.223 0.026 0.000 2.191 1058 L HA -0.170 4.159 4.340 -0.019 0.000 0.212 1058 L C 1.870 178.764 176.870 0.039 0.000 1.103 1058 L CA 0.972 55.845 54.840 0.054 0.000 0.769 1058 L CB -0.286 41.805 42.059 0.052 0.000 0.908 1058 L HN 0.245 nan 8.230 nan 0.000 0.438 1059 N N -0.378 118.329 118.700 0.011 0.000 2.216 1059 N HA -0.131 4.597 4.740 -0.019 0.000 0.183 1059 N C 1.665 177.212 175.510 0.062 0.000 1.017 1059 N CA 0.798 53.870 53.050 0.038 0.000 0.861 1059 N CB 0.005 38.504 38.487 0.020 0.000 0.986 1059 N HN 0.327 nan 8.380 nan 0.000 0.428 1060 K N 0.926 121.354 120.400 0.047 0.000 2.020 1060 K HA -0.080 4.229 4.320 -0.019 0.000 0.212 1060 K C 2.083 178.707 176.600 0.039 0.000 1.050 1060 K CA 1.040 57.353 56.287 0.043 0.000 0.929 1060 K CB -0.520 32.002 32.500 0.035 0.000 0.714 1060 K HN 0.007 nan 8.250 nan 0.000 0.443 1061 V N 1.772 121.710 119.914 0.039 0.000 2.343 1061 V HA -0.161 3.948 4.120 -0.019 0.000 0.247 1061 V C 1.550 177.660 176.094 0.027 0.000 1.051 1061 V CA 1.137 63.455 62.300 0.030 0.000 1.036 1061 V CB -0.369 31.473 31.823 0.031 0.000 0.654 1061 V HN 0.189 nan 8.190 nan 0.000 0.451 1062 I N 2.350 122.947 120.570 0.045 0.000 2.395 1062 I HA 0.181 4.339 4.170 -0.019 0.000 0.289 1062 I C 0.366 176.509 176.117 0.042 0.000 1.023 1062 I CA -0.392 60.935 61.300 0.045 0.000 1.350 1062 I CB 0.813 38.861 38.000 0.080 0.000 1.409 1062 I HN 0.167 nan 8.210 nan 0.000 0.507 1063 K N 6.272 126.674 120.400 0.003 0.000 2.276 1063 K HA 0.304 4.613 4.320 -0.019 0.000 0.285 1063 K C 0.005 176.568 176.600 -0.062 0.000 1.062 1063 K CA -0.432 55.842 56.287 -0.023 0.000 0.918 1063 K CB 1.097 33.570 32.500 -0.044 0.000 1.055 1063 K HN 0.669 nan 8.250 nan 0.000 0.477 1064 S N 1.998 117.656 115.700 -0.071 0.000 2.502 1064 S HA 0.164 4.623 4.470 -0.019 0.000 0.251 1064 S C 1.026 175.501 174.600 -0.208 0.000 1.254 1064 S CA 0.035 58.107 58.200 -0.212 0.000 0.989 1064 S CB 0.160 63.272 63.200 -0.147 0.000 1.015 1064 S HN 0.388 nan 8.310 nan 0.000 0.529 1065 V N -0.516 119.247 119.914 -0.252 0.000 3.350 1065 V HA 0.352 4.461 4.120 -0.019 0.000 0.246 1065 V C 2.153 178.141 176.094 -0.175 0.000 1.363 1065 V CA 0.544 62.722 62.300 -0.203 0.000 1.162 1065 V CB -0.240 31.451 31.823 -0.220 0.000 0.947 1065 V HN 0.927 nan 8.190 nan 0.000 0.454 1066 G N -0.829 107.863 108.800 -0.179 0.000 3.042 1066 G HA2 0.117 4.066 3.960 -0.019 0.000 0.212 1066 G HA3 0.117 4.066 3.960 -0.019 0.000 0.212 1066 G C 0.889 175.646 174.900 -0.238 0.000 1.166 1066 G CA 0.396 45.410 45.100 -0.144 0.000 0.767 1066 G HN 0.218 nan 8.290 nan 0.000 0.546 1067 K N -1.198 119.059 120.400 -0.238 0.000 3.510 1067 K HA -0.139 4.169 4.320 -0.019 0.000 0.280 1067 K C 0.431 177.000 176.600 -0.053 0.000 1.307 1067 K CA 0.208 56.344 56.287 -0.251 0.000 0.955 1067 K CB -2.008 30.078 32.500 -0.690 0.000 1.363 1067 K HN 0.434 nan 8.250 nan 0.000 0.492 1068 I N 2.596 123.164 120.570 -0.004 0.000 2.752 1068 I HA -0.099 4.060 4.170 -0.019 0.000 0.289 1068 I C 1.105 177.385 176.117 0.272 0.000 1.197 1068 I CA 0.289 61.664 61.300 0.125 0.000 1.432 1068 I CB 0.190 38.276 38.000 0.143 0.000 1.359 1068 I HN 0.028 nan 8.210 nan 0.000 0.571 1069 E N 5.039 125.382 120.200 0.238 0.000 2.351 1069 E HA -0.093 4.246 4.350 -0.019 0.000 0.266 1069 E C 0.940 177.752 176.600 0.353 0.000 1.031 1069 E CA 0.334 56.903 56.400 0.282 0.000 0.911 1069 E CB 0.444 30.276 29.700 0.219 0.000 0.986 1069 E HN 0.490 nan 8.360 nan 0.000 0.446 1070 H N 2.688 121.864 119.070 0.175 0.000 2.352 1070 H HA -0.174 4.371 4.556 -0.018 0.000 0.299 1070 H C 1.667 176.981 175.328 -0.024 0.000 1.097 1070 H CA 2.373 58.324 56.048 -0.160 0.000 1.311 1070 H CB 0.246 29.870 29.762 -0.231 0.000 1.377 1070 H HN 0.525 nan 8.280 nan 0.000 0.504 1071 S N -0.746 115.083 115.700 0.215 0.000 2.453 1071 S HA -0.159 4.300 4.470 -0.019 0.000 0.231 1071 S C 2.033 176.689 174.600 0.094 0.000 1.005 1071 S CA 0.753 59.041 58.200 0.147 0.000 0.949 1071 S CB -0.723 62.593 63.200 0.194 0.000 0.774 1071 S HN 0.510 nan 8.310 nan 0.000 0.510 1072 F N 1.843 121.812 119.950 0.031 0.000 2.206 1072 F HA 0.107 4.623 4.527 -0.019 0.000 0.298 1072 F C 2.132 177.930 175.800 -0.003 0.000 1.090 1072 F CA 0.854 58.871 58.000 0.028 0.000 1.323 1072 F CB -0.374 38.669 39.000 0.072 0.000 1.028 1072 F HN 0.383 nan 8.300 nan 0.000 0.492 1073 W N 1.546 122.734 121.300 -0.187 0.000 2.355 1073 W HA -0.173 4.476 4.660 -0.019 0.000 0.309 1073 W C 1.245 177.474 176.519 -0.483 0.000 1.206 1073 W CA 0.744 57.887 57.345 -0.337 0.000 1.284 1073 W CB -0.196 29.102 29.460 -0.270 0.000 1.145 1073 W HN -0.202 nan 8.180 nan 0.000 0.502 1074 R N 1.266 121.350 120.500 -0.694 0.000 2.325 1074 R HA 0.112 4.441 4.340 -0.019 0.000 0.214 1074 R C 0.042 175.946 176.300 -0.659 0.000 0.961 1074 R CA 0.190 55.719 56.100 -0.952 0.000 1.086 1074 R CB -0.415 29.390 30.300 -0.825 0.000 1.037 1074 R HN -0.099 nan 8.270 nan 0.000 0.493 1075 S N 0.822 116.224 115.700 -0.497 0.000 2.499 1075 S HA 0.224 4.682 4.470 -0.019 0.000 0.279 1075 S C -0.391 174.109 174.600 -0.167 0.000 1.219 1075 S CA -0.650 57.397 58.200 -0.255 0.000 1.062 1075 S CB 0.683 63.748 63.200 -0.224 0.000 0.978 1075 S HN 0.227 nan 8.310 nan 0.000 0.489 1076 F N 4.364 124.236 119.950 -0.129 0.000 2.580 1076 F HA 0.028 4.543 4.527 -0.019 0.000 0.398 1076 F C 0.427 176.222 175.800 -0.007 0.000 1.023 1076 F CA 0.915 58.893 58.000 -0.036 0.000 1.188 1076 F CB 0.124 39.121 39.000 -0.006 0.000 1.005 1076 F HN 0.685 nan 8.300 nan 0.000 0.546 1077 H N 3.568 122.477 119.070 -0.270 0.000 2.877 1077 H HA 0.486 5.031 4.556 -0.019 0.000 0.347 1077 H C -1.061 174.184 175.328 -0.138 0.000 1.042 1077 H CA -0.342 55.619 56.048 -0.146 0.000 1.276 1077 H CB 1.357 30.957 29.762 -0.270 0.000 1.681 1077 H HN 0.611 nan 8.280 nan 0.000 0.521 1078 T N 1.438 115.697 114.554 -0.492 0.000 2.906 1078 T HA 0.196 4.534 4.350 -0.019 0.000 0.295 1078 T C 0.172 174.617 174.700 -0.425 0.000 1.075 1078 T CA -1.116 60.805 62.100 -0.298 0.000 1.005 1078 T CB 1.724 70.533 68.868 -0.098 0.000 1.136 1078 T HN 0.542 nan 8.240 nan 0.000 0.498 1079 E N 0.974 121.085 120.200 -0.147 0.000 3.057 1079 E HA 0.138 4.477 4.350 -0.019 0.000 0.314 1079 E C 0.772 177.325 176.600 -0.078 0.000 1.433 1079 E CA 0.014 56.376 56.400 -0.063 0.000 1.546 1079 E CB -0.890 28.826 29.700 0.027 0.000 1.224 1079 E HN 0.732 nan 8.360 nan 0.000 0.483 1080 R N -0.188 120.236 120.500 -0.128 0.000 2.486 1080 R HA 0.104 4.433 4.340 -0.019 0.000 0.066 1080 R C -0.535 175.727 176.300 -0.064 0.000 0.505 1080 R CA -0.316 55.743 56.100 -0.069 0.000 0.739 1080 R CB -0.669 29.616 30.300 -0.026 0.000 0.939 1080 R HN 0.038 nan 8.270 nan 0.000 0.565 1081 K N 0.882 121.217 120.400 -0.109 0.000 2.600 1081 K HA 0.366 4.675 4.320 -0.019 0.000 0.262 1081 K C -1.835 174.730 176.600 -0.058 0.000 0.935 1081 K CA -0.417 55.844 56.287 -0.044 0.000 0.866 1081 K CB 2.251 34.763 32.500 0.020 0.000 1.354 1081 K HN 0.113 nan 8.250 nan 0.000 0.419 1082 T N 3.252 117.808 114.554 0.003 0.000 3.066 1082 T HA 0.317 4.656 4.350 -0.019 0.000 0.318 1082 T C -1.453 173.291 174.700 0.073 0.000 0.979 1082 T CA -0.877 61.256 62.100 0.056 0.000 1.025 1082 T CB 1.034 69.950 68.868 0.080 0.000 1.002 1082 T HN 0.431 nan 8.240 nan 0.000 0.453 1083 E N 2.814 123.076 120.200 0.104 0.000 2.263 1083 E HA 0.545 4.883 4.350 -0.019 0.000 0.264 1083 E C -2.670 173.982 176.600 0.086 0.000 0.923 1083 E CA -2.810 53.631 56.400 0.068 0.000 0.802 1083 E CB 1.339 31.042 29.700 0.004 0.000 1.228 1083 E HN 0.243 nan 8.360 nan 0.000 0.417 1084 P HA 0.168 nan 4.420 nan 0.000 0.274 1084 P C -0.852 176.513 177.300 0.109 0.000 1.246 1084 P CA -0.307 62.838 63.100 0.074 0.000 0.795 1084 P CB 0.529 32.280 31.700 0.085 0.000 1.006 1085 A N 1.336 124.225 122.820 0.116 0.000 2.425 1085 A HA 0.530 4.839 4.320 -0.019 0.000 0.249 1085 A C 0.324 178.072 177.584 0.273 0.000 1.084 1085 A CA 0.392 52.557 52.037 0.214 0.000 0.781 1085 A CB -0.628 18.495 19.000 0.207 0.000 1.019 1085 A HN 0.621 nan 8.150 nan 0.000 0.490 1086 T N -1.374 113.382 114.554 0.337 0.000 2.906 1086 T HA 0.607 4.946 4.350 -0.019 0.000 0.295 1086 T C 0.733 175.658 174.700 0.374 0.000 1.061 1086 T CA 0.151 62.439 62.100 0.314 0.000 1.000 1086 T CB 1.369 70.342 68.868 0.175 0.000 1.103 1086 T HN 2.399 nan 8.240 nan 0.000 0.486 1087 G N 0.623 109.619 108.800 0.326 0.000 2.180 1087 G HA2 -0.216 3.732 3.960 -0.019 0.000 0.263 1087 G HA3 -0.216 3.732 3.960 -0.019 0.000 0.263 1087 G C -0.210 174.668 174.900 -0.037 0.000 0.989 1087 G CA 0.385 45.552 45.100 0.111 0.000 0.692 1087 G HN 0.775 nan 8.290 nan 0.000 0.526 1088 F N -0.649 119.499 119.950 0.329 0.000 2.563 1088 F HA 0.752 5.267 4.527 -0.020 0.000 0.316 1088 F C 0.366 176.231 175.800 0.109 0.000 1.076 1088 F CA -1.133 56.939 58.000 0.121 0.000 0.921 1088 F CB 1.868 40.834 39.000 -0.057 0.000 1.209 1088 F HN -0.065 nan 8.300 nan 0.000 0.462 1089 I N 2.493 123.126 120.570 0.104 0.000 2.499 1089 I HA 0.234 4.393 4.170 -0.019 0.000 0.288 1089 I C -1.434 174.551 176.117 -0.220 0.000 1.048 1089 I CA -1.019 60.272 61.300 -0.016 0.000 1.062 1089 I CB 1.969 39.950 38.000 -0.031 0.000 1.238 1089 I HN 0.461 nan 8.210 nan 0.000 0.426 1090 D N 5.479 125.872 120.400 -0.010 0.000 2.339 1090 D HA 0.146 4.774 4.640 -0.019 0.000 0.241 1090 D C 1.246 177.421 176.300 -0.209 0.000 1.183 1090 D CA -0.572 53.372 54.000 -0.093 0.000 0.859 1090 D CB 1.430 42.332 40.800 0.171 0.000 1.067 1090 D HN 0.711 nan 8.370 nan 0.000 0.484 1091 G N 2.348 110.808 108.800 -0.565 0.000 2.462 1091 G HA2 -0.326 3.622 3.960 -0.019 0.000 0.220 1091 G HA3 -0.326 3.622 3.960 -0.019 0.000 0.220 1091 G C 1.148 176.061 174.900 0.022 0.000 1.121 1091 G CA 0.365 45.341 45.100 -0.206 0.000 0.758 1091 G HN 0.379 nan 8.290 nan 0.000 0.559 1092 D N -0.232 120.177 120.400 0.014 0.000 2.116 1092 D HA -0.110 4.519 4.640 -0.019 0.000 0.193 1092 D C 2.284 178.680 176.300 0.160 0.000 0.998 1092 D CA 0.422 54.491 54.000 0.116 0.000 0.836 1092 D CB -0.133 40.761 40.800 0.157 0.000 0.951 1092 D HN 0.226 nan 8.370 nan 0.000 0.449 1093 L N 0.178 121.497 121.223 0.159 0.000 2.102 1093 L HA -0.088 4.241 4.340 -0.019 0.000 0.202 1093 L C 1.930 178.865 176.870 0.108 0.000 1.076 1093 L CA 0.753 55.685 54.840 0.154 0.000 0.761 1093 L CB -0.341 41.779 42.059 0.101 0.000 0.921 1093 L HN -0.012 nan 8.230 nan 0.000 0.444 1094 I N 0.959 121.573 120.570 0.074 0.000 2.087 1094 I HA -0.349 3.810 4.170 -0.019 0.000 0.240 1094 I C 2.508 178.714 176.117 0.148 0.000 1.054 1094 I CA 1.572 62.921 61.300 0.082 0.000 1.311 1094 I CB -1.359 36.705 38.000 0.107 0.000 1.024 1094 I HN 0.355 nan 8.210 nan 0.000 0.402 1095 E N 0.641 120.941 120.200 0.166 0.000 2.171 1095 E HA -0.194 4.144 4.350 -0.019 0.000 0.197 1095 E C 2.198 178.911 176.600 0.187 0.000 0.997 1095 E CA 1.618 58.130 56.400 0.186 0.000 0.810 1095 E CB -0.064 29.747 29.700 0.184 0.000 0.738 1095 E HN 0.470 nan 8.360 nan 0.000 0.467 1096 S N 1.011 116.814 115.700 0.172 0.000 2.389 1096 S HA -0.271 4.188 4.470 -0.019 0.000 0.231 1096 S C 1.523 176.221 174.600 0.163 0.000 1.052 1096 S CA 1.323 59.612 58.200 0.150 0.000 1.053 1096 S CB -0.595 62.696 63.200 0.152 0.000 0.886 1096 S HN 0.312 nan 8.310 nan 0.000 0.456 1097 F N 2.587 122.559 119.950 0.037 0.000 2.077 1097 F HA -0.326 4.193 4.527 -0.012 0.000 0.292 1097 F C 1.931 177.741 175.800 0.017 0.000 1.120 1097 F CA 1.904 59.917 58.000 0.021 0.000 1.246 1097 F CB -0.882 38.128 39.000 0.016 0.000 0.941 1097 F HN 0.119 nan 8.300 nan 0.000 0.514 1098 L N -0.364 120.935 121.223 0.128 0.000 2.103 1098 L HA -0.290 4.039 4.340 -0.019 0.000 0.215 1098 L C 1.465 178.290 176.870 -0.075 0.000 1.080 1098 L CA 1.741 56.578 54.840 -0.005 0.000 0.764 1098 L CB -0.954 41.153 42.059 0.080 0.000 0.890 1098 L HN 0.237 nan 8.230 nan 0.000 0.435 1099 D N -0.105 120.271 120.400 -0.040 0.000 2.325 1099 D HA 0.218 4.846 4.640 -0.019 0.000 0.234 1099 D C 0.557 176.812 176.300 -0.076 0.000 1.122 1099 D CA 0.440 54.413 54.000 -0.044 0.000 0.850 1099 D CB 0.269 41.062 40.800 -0.012 0.000 0.921 1099 D HN 0.298 nan 8.370 nan 0.000 0.513 1100 I N 0.958 121.442 120.570 -0.142 0.000 2.498 1100 I HA 0.032 4.191 4.170 -0.019 0.000 0.301 1100 I C 0.669 176.681 176.117 -0.175 0.000 0.984 1100 I CA -0.690 60.514 61.300 -0.159 0.000 1.204 1100 I CB 1.507 39.380 38.000 -0.211 0.000 1.362 1100 I HN -0.133 nan 8.210 nan 0.000 0.471 1101 S N 5.686 121.312 115.700 -0.123 0.000 2.562 1101 S HA 0.123 4.582 4.470 -0.019 0.000 0.281 1101 S C 1.178 175.705 174.600 -0.121 0.000 1.333 1101 S CA -0.386 57.754 58.200 -0.102 0.000 1.052 1101 S CB 1.097 64.256 63.200 -0.067 0.000 0.884 1101 S HN 0.762 nan 8.310 nan 0.000 0.506 1102 R N 2.600 123.039 120.500 -0.102 0.000 2.119 1102 R HA -0.104 4.225 4.340 -0.019 0.000 0.246 1102 R C -0.794 175.467 176.300 -0.065 0.000 1.146 1102 R CA 2.111 58.158 56.100 -0.088 0.000 0.962 1102 R CB -1.411 28.861 30.300 -0.046 0.000 0.863 1102 R HN 0.654 nan 8.270 nan 0.000 0.442 1103 P HA -0.191 nan 4.420 nan 0.000 0.213 1103 P C 0.411 177.690 177.300 -0.036 0.000 1.170 1103 P CA 1.454 64.534 63.100 -0.033 0.000 0.898 1103 P CB -0.146 31.538 31.700 -0.028 0.000 0.787 1104 K N -0.764 119.606 120.400 -0.050 0.000 2.280 1104 K HA -0.064 4.245 4.320 -0.019 0.000 0.202 1104 K C 2.156 178.722 176.600 -0.056 0.000 1.047 1104 K CA 0.859 57.120 56.287 -0.045 0.000 0.942 1104 K CB -0.636 31.834 32.500 -0.051 0.000 0.739 1104 K HN 0.285 nan 8.250 nan 0.000 0.457 1105 M N 0.334 119.872 119.600 -0.104 0.000 2.248 1105 M HA -0.139 4.330 4.480 -0.019 0.000 0.265 1105 M C 1.842 178.132 176.300 -0.017 0.000 1.079 1105 M CA 1.183 56.389 55.300 -0.158 0.000 1.150 1105 M CB 0.112 32.527 32.600 -0.309 0.000 1.366 1105 M HN -0.086 nan 8.290 nan 0.000 0.433 1106 Q N 1.215 121.007 119.800 -0.013 0.000 2.062 1106 Q HA -0.263 4.066 4.340 -0.019 0.000 0.209 1106 Q C 1.700 177.721 176.000 0.035 0.000 0.996 1106 Q CA 2.441 58.255 55.803 0.019 0.000 0.859 1106 Q CB -0.836 27.905 28.738 0.006 0.000 0.920 1106 Q HN 0.673 nan 8.270 nan 0.000 0.415 1107 E N -0.102 120.113 120.200 0.024 0.000 2.147 1107 E HA -0.168 4.171 4.350 -0.019 0.000 0.199 1107 E C 1.804 178.431 176.600 0.045 0.000 1.005 1107 E CA 1.534 57.950 56.400 0.028 0.000 0.810 1107 E CB -0.206 29.507 29.700 0.021 0.000 0.736 1107 E HN 0.177 nan 8.360 nan 0.000 0.460 1108 V N 1.090 121.050 119.914 0.077 0.000 3.330 1108 V HA -0.079 4.030 4.120 -0.019 0.000 0.273 1108 V C 0.669 176.807 176.094 0.073 0.000 1.179 1108 V CA 0.659 63.020 62.300 0.102 0.000 1.174 1108 V CB -0.647 31.307 31.823 0.218 0.000 0.794 1108 V HN -0.022 nan 8.190 nan 0.000 0.527 1109 V N -0.411 119.539 119.914 0.060 0.000 2.443 1109 V HA 0.765 4.873 4.120 -0.019 0.000 0.293 1109 V C 0.510 176.618 176.094 0.023 0.000 1.021 1109 V CA 0.344 62.664 62.300 0.033 0.000 0.848 1109 V CB 1.218 33.061 31.823 0.034 0.000 0.998 1109 V HN 0.132 nan 8.190 nan 0.000 0.424 1110 A N 4.104 126.932 122.820 0.013 0.000 2.211 1110 A HA 0.454 4.763 4.320 -0.019 0.000 0.208 1110 A C 0.623 178.210 177.584 0.005 0.000 1.250 1110 A CA 0.293 52.336 52.037 0.010 0.000 0.935 1110 A CB 0.236 19.243 19.000 0.010 0.000 0.982 1110 A HN 0.821 nan 8.150 nan 0.000 0.490 1123 E N 0.837 121.025 120.200 -0.020 0.000 2.421 1123 E HA 0.802 5.140 4.350 -0.019 0.000 0.265 1123 E C -1.633 174.952 176.600 -0.024 0.000 0.990 1123 E CA -1.094 55.296 56.400 -0.018 0.000 0.874 1123 E CB 2.541 32.233 29.700 -0.014 0.000 1.646 1123 E HN 0.740 nan 8.360 nan 0.000 0.451 1124 A N 0.383 123.192 122.820 -0.018 0.000 2.422 1124 A HA 0.729 5.038 4.320 -0.019 0.000 0.302 1124 A C -0.724 176.854 177.584 -0.011 0.000 1.041 1124 A CA -0.280 51.746 52.037 -0.018 0.000 0.708 1124 A CB 1.909 20.903 19.000 -0.011 0.000 1.257 1124 A HN 0.510 nan 8.150 nan 0.000 0.414 1125 T N -0.092 114.456 114.554 -0.010 0.000 2.574 1125 T HA 0.819 5.157 4.350 -0.019 0.000 0.224 1125 T C 0.810 175.523 174.700 0.022 0.000 0.792 1125 T CA 0.461 62.563 62.100 0.003 0.000 1.317 1125 T CB 0.989 69.855 68.868 -0.003 0.000 1.590 1125 T HN 1.785 nan 8.240 nan 0.000 0.456 1126 A N -0.256 122.587 122.820 0.039 0.000 1.781 1126 A HA 0.309 4.618 4.320 -0.019 0.000 0.180 1126 A C 0.159 177.812 177.584 0.114 0.000 1.996 1126 A CA 0.500 52.583 52.037 0.078 0.000 1.576 1126 A CB -0.367 18.667 19.000 0.057 0.000 1.609 1126 A HN 0.593 nan 8.150 nan 0.000 0.304 1127 D N 0.031 120.479 120.400 0.080 0.000 2.479 1127 D HA 0.163 4.792 4.640 -0.019 0.000 0.216 1127 D C 0.707 177.046 176.300 0.065 0.000 1.110 1127 D CA 0.350 54.404 54.000 0.090 0.000 0.841 1127 D CB 0.180 41.021 40.800 0.069 0.000 1.040 1127 D HN 0.218 nan 8.370 nan 0.000 0.505 1128 D N 0.670 121.089 120.400 0.031 0.000 2.133 1128 D HA -0.121 4.508 4.640 -0.019 0.000 0.195 1128 D C 1.904 178.185 176.300 -0.031 0.000 0.997 1128 D CA 0.788 54.785 54.000 -0.004 0.000 0.840 1128 D CB 0.060 40.842 40.800 -0.030 0.000 0.947 1128 D HN 0.108 nan 8.370 nan 0.000 0.452 1129 L N 0.228 121.422 121.223 -0.048 0.000 2.056 1129 L HA -0.072 4.257 4.340 -0.019 0.000 0.207 1129 L C 2.509 179.321 176.870 -0.096 0.000 1.078 1129 L CA 0.764 55.497 54.840 -0.179 0.000 0.749 1129 L CB -0.800 41.062 42.059 -0.328 0.000 0.901 1129 L HN 0.152 nan 8.230 nan 0.000 0.433 1130 I N 0.642 121.327 120.570 0.191 0.000 2.113 1130 I HA -0.418 3.741 4.170 -0.019 0.000 0.242 1130 I C 2.802 178.987 176.117 0.112 0.000 1.064 1130 I CA 1.817 63.283 61.300 0.277 0.000 1.320 1130 I CB -0.080 38.066 38.000 0.243 0.000 1.028 1130 I HN 0.269 nan 8.210 nan 0.000 0.406 1131 K N -0.000 120.436 120.400 0.061 0.000 2.209 1131 K HA -0.163 4.146 4.320 -0.019 0.000 0.204 1131 K C 1.834 178.452 176.600 0.030 0.000 1.048 1131 K CA 1.673 57.983 56.287 0.038 0.000 0.940 1131 K CB 0.025 32.541 32.500 0.028 0.000 0.729 1131 K HN 0.293 nan 8.250 nan 0.000 0.451 1132 V N 0.604 120.508 119.914 -0.017 0.000 2.488 1132 V HA -0.149 3.959 4.120 -0.019 0.000 0.246 1132 V C 2.214 178.304 176.094 -0.006 0.000 1.046 1132 V CA 1.020 63.294 62.300 -0.043 0.000 1.053 1132 V CB 0.352 32.044 31.823 -0.217 0.000 0.679 1132 V HN 0.151 nan 8.190 nan 0.000 0.458 1133 V N -0.159 119.744 119.914 -0.017 0.000 2.515 1133 V HA -0.203 3.906 4.120 -0.019 0.000 0.250 1133 V C 2.386 178.537 176.094 0.096 0.000 1.058 1133 V CA 1.690 64.021 62.300 0.051 0.000 1.064 1133 V CB -0.511 31.364 31.823 0.087 0.000 0.675 1133 V HN 0.613 nan 8.190 nan 0.000 0.461 1134 E N 0.064 120.313 120.200 0.083 0.000 2.023 1134 E HA -0.301 4.038 4.350 -0.019 0.000 0.196 1134 E C 2.198 178.838 176.600 0.068 0.000 1.003 1134 E CA 1.535 57.977 56.400 0.071 0.000 0.809 1134 E CB -0.220 29.512 29.700 0.053 0.000 0.755 1134 E HN 0.610 nan 8.360 nan 0.000 0.449 1135 E N 0.334 120.578 120.200 0.074 0.000 2.396 1135 E HA -0.167 4.171 4.350 -0.019 0.000 0.200 1135 E C 1.876 178.520 176.600 0.073 0.000 1.023 1135 E CA 0.322 56.765 56.400 0.071 0.000 0.857 1135 E CB 0.149 29.908 29.700 0.098 0.000 0.775 1135 E HN 0.228 nan 8.360 nan 0.000 0.525 1136 L N -0.522 120.760 121.223 0.098 0.000 2.200 1136 L HA -0.048 4.281 4.340 -0.019 0.000 0.200 1136 L C 2.506 179.466 176.870 0.150 0.000 1.072 1136 L CA 1.251 56.152 54.840 0.101 0.000 0.787 1136 L CB -0.574 41.564 42.059 0.132 0.000 0.957 1136 L HN 0.205 nan 8.230 nan 0.000 0.459 1137 T N -1.996 112.653 114.554 0.158 0.000 3.003 1137 T HA -0.212 4.127 4.350 -0.019 0.000 0.270 1137 T C 1.531 176.249 174.700 0.030 0.000 1.153 1137 T CA 1.020 63.215 62.100 0.159 0.000 1.089 1137 T CB -0.380 68.538 68.868 0.083 0.000 0.838 1137 T HN 0.312 nan 8.240 nan 0.000 0.562 1138 R N -0.476 120.051 120.500 0.046 0.000 2.509 1138 R HA 0.459 4.788 4.340 -0.019 0.000 0.300 1138 R C 1.548 177.866 176.300 0.030 0.000 0.985 1138 R CA -0.198 55.896 56.100 -0.010 0.000 1.092 1138 R CB 0.076 30.369 30.300 -0.012 0.000 1.237 1138 R HN 0.402 nan 8.270 nan 0.000 0.546 1139 I N 1.174 121.818 120.570 0.123 0.000 2.676 1139 I HA -0.125 4.033 4.170 -0.019 0.000 0.259 1139 I C 0.841 177.075 176.117 0.196 0.000 1.194 1139 I CA 0.972 62.347 61.300 0.124 0.000 1.473 1139 I CB 0.007 38.067 38.000 0.100 0.000 1.096 1139 I HN 0.261 nan 8.210 nan 0.000 0.443 1140 H N 0.000 119.081 119.070 0.019 0.000 2.539 1140 H HA 0.000 4.544 4.556 -0.020 0.000 0.296 1140 H CA 0.000 56.055 56.048 0.011 0.000 1.023 1140 H CB 0.000 29.771 29.762 0.016 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496