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 2qo3_1_B DATA FIRST_RESID 29 DATA SEQUENCE ESDPIAIVSM ACRLPGGVNT PQRLWELLRE GGETLSGFPT DRGWDLARLH DATA SEQUENCE HPDPDNPGTS YVDKGGFLDD AAGFDAEFFG VSPREAAAMD PQQRLLLETS DATA SEQUENCE WELVENAGID PHSLRGTATG VFLGVAKFGY GEDTAXXXDV EGYSVTGVAP DATA SEQUENCE AVASGRISYT MGLEGPSISV DTACSSSLVA LHLAVESLRK GESSMAVVGG DATA SEQUENCE AAVMATPGVF VDFSRQRALA ADGRSKAFGA GADGFGFSEG VTLVLLERLS DATA SEQUENCE EARRNGHEVL AVVRGSALNQ DGASNGLSAP SGPAQRRVIR QALESCGLEP DATA SEQUENCE GDVDAVEAHG TGTALGDPIE ANALLDTYGR DRDADRPLWL GSVKSNIGHT DATA SEQUENCE QAAAGVTGLL KVVLALRNGE LPATLHVEEP TPHVDWSSGG VALLAGNQPW DATA SEQUENCE RRGERTRRAA VSAFGISGTN AHVIVEEAPE RXXXXTTAHD GRPVPLVVSA DATA SEQUENCE RSTAALRAQA AQIAELLERP DADLAGVGLG LATTRARHEH RAAVVASTRE DATA SEQUENCE EAVRGLREIA AGAATADAVV EGVTEVDGRN VVFLFPGQGS QWAGMGAELL DATA SEQUENCE SSSPVFAGKI RACDESMAPM QDWKVSDVLR QAPGAPGLDR VDVVQPVLFA DATA SEQUENCE VMVSLAELWR SYGVEPAAVV GHSQGEIAAA HVAGALTLED AAKLVVGRSR DATA SEQUENCE LMRSLSGEGG MAAVALGEAA VRERLRPWQD RLSVAAVNGP RSVVVSGEPG DATA SEQUENCE ALRAFSEDCA AEGIRVRDID VDYASHSPQI ERVREELLET TGDIAPRPAR DATA SEQUENCE VTFHSTVESR SMDGTELDAR YWYRNLRETV RFADAVTRLA ESGYDAFIEV DATA SEQUENCE SPHPVVVQAV EEAVEEADGA EDAVVVGSLH RDGGDLSAFL RSMATAHVSG DATA SEQUENCE VDIRWDVALP GAAPFALPTY PFQRKRYWLQ 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 29 E HA 0.000 nan 4.350 nan 0.000 0.291 29 E C 0.000 176.603 176.600 0.005 0.000 1.382 29 E CA 0.000 56.405 56.400 0.008 0.000 0.976 29 E CB 0.000 29.703 29.700 0.005 0.000 0.812 30 S N 1.757 117.459 115.700 0.004 0.000 2.550 30 S HA -0.089 4.383 4.470 0.004 0.000 0.285 30 S C -0.058 174.539 174.600 -0.004 0.000 1.326 30 S CA 0.440 58.639 58.200 -0.000 0.000 1.037 30 S CB 0.434 63.635 63.200 0.000 0.000 0.838 30 S HN 0.343 nan 8.310 nan 0.000 0.519 31 D N 3.359 123.756 120.400 -0.005 0.000 3.304 31 D HA -0.020 4.622 4.640 0.004 0.000 0.241 31 D C -2.177 174.118 176.300 -0.008 0.000 1.310 31 D CA -0.592 53.404 54.000 -0.006 0.000 0.884 31 D CB 0.237 41.034 40.800 -0.005 0.000 1.167 31 D HN 0.129 nan 8.370 nan 0.000 0.598 32 P HA 0.202 nan 4.420 nan 0.000 0.276 32 P C -0.380 176.915 177.300 -0.008 0.000 1.244 32 P CA -0.682 62.414 63.100 -0.007 0.000 0.801 32 P CB 0.639 32.338 31.700 -0.002 0.000 1.006 33 I N 0.883 121.446 120.570 -0.012 0.000 2.359 33 I HA 0.435 4.607 4.170 0.004 0.000 0.294 33 I C 0.686 176.800 176.117 -0.005 0.000 0.987 33 I CA -1.465 59.828 61.300 -0.013 0.000 1.225 33 I CB 0.316 38.299 38.000 -0.028 0.000 1.366 33 I HN 0.345 nan 8.210 nan 0.000 0.466 34 A N 7.120 129.941 122.820 0.002 0.000 2.310 34 A HA 0.718 5.040 4.320 0.004 0.000 0.299 34 A C -0.187 177.402 177.584 0.007 0.000 1.147 34 A CA -0.469 51.571 52.037 0.005 0.000 0.818 34 A CB 0.312 19.320 19.000 0.014 0.000 1.096 34 A HN 0.593 nan 8.150 nan 0.000 0.495 35 I N 2.656 123.227 120.570 0.002 0.000 2.352 35 I HA 0.183 4.355 4.170 0.004 0.000 0.290 35 I C 0.750 176.867 176.117 -0.000 0.000 1.036 35 I CA 0.289 61.591 61.300 0.003 0.000 1.336 35 I CB 1.544 39.544 38.000 0.001 0.000 1.407 35 I HN 0.410 nan 8.210 nan 0.000 0.497 36 V N 3.880 123.794 119.914 -0.001 0.000 3.570 36 V HA 0.198 4.320 4.120 0.004 0.000 0.257 36 V C 0.472 176.547 176.094 -0.032 0.000 1.272 36 V CA 0.559 62.854 62.300 -0.007 0.000 1.079 36 V CB 0.817 32.638 31.823 -0.002 0.000 0.829 36 V HN 0.763 nan 8.190 nan 0.000 0.454 37 S N 0.101 115.787 115.700 -0.025 0.000 2.588 37 S HA 0.745 5.217 4.470 0.004 0.000 0.269 37 S C -1.131 173.470 174.600 0.000 0.000 1.157 37 S CA -0.663 57.523 58.200 -0.023 0.000 0.824 37 S CB 1.795 64.971 63.200 -0.039 0.000 1.126 37 S HN 0.296 nan 8.310 nan 0.000 0.464 38 M N 1.940 121.546 119.600 0.011 0.000 2.631 38 M HA 0.987 5.469 4.480 0.004 0.000 0.288 38 M C -1.062 175.268 176.300 0.049 0.000 1.260 38 M CA -1.070 54.248 55.300 0.031 0.000 0.842 38 M CB 1.751 34.370 32.600 0.031 0.000 1.743 38 M HN 0.943 nan 8.290 nan 0.000 0.461 39 A N 1.016 123.875 122.820 0.065 0.000 2.582 39 A HA 0.797 5.119 4.320 0.004 0.000 0.297 39 A C -1.112 176.524 177.584 0.086 0.000 1.059 39 A CA -0.594 51.494 52.037 0.085 0.000 0.705 39 A CB 0.919 19.983 19.000 0.106 0.000 1.279 39 A HN 1.580 nan 8.150 nan 0.000 0.404 40 C N 0.254 119.608 119.300 0.091 0.000 3.090 40 C HA 0.956 5.418 4.460 0.004 0.000 0.305 40 C C -0.916 174.125 174.990 0.085 0.000 1.292 40 C CA -1.022 58.046 59.018 0.084 0.000 1.482 40 C CB 1.924 29.711 27.740 0.078 0.000 1.897 40 C HN 0.869 nan 8.230 nan 0.000 0.469 41 R N 1.762 122.306 120.500 0.073 0.000 2.422 41 R HA 0.697 5.039 4.340 0.004 0.000 0.307 41 R C -1.309 175.024 176.300 0.055 0.000 1.004 41 R CA -0.209 55.930 56.100 0.066 0.000 0.882 41 R CB 1.297 31.632 30.300 0.059 0.000 1.164 41 R HN 0.820 nan 8.270 nan 0.000 0.489 42 L N 3.055 124.311 121.223 0.055 0.000 2.286 42 L HA 0.601 4.943 4.340 0.004 0.000 0.265 42 L C -2.130 174.766 176.870 0.043 0.000 1.012 42 L CA -2.512 52.355 54.840 0.046 0.000 0.818 42 L CB 1.996 44.085 42.059 0.051 0.000 1.337 42 L HN 0.189 nan 8.230 nan 0.000 0.438 43 P HA 0.082 nan 4.420 nan 0.000 0.267 43 P C 0.433 177.759 177.300 0.044 0.000 1.200 43 P CA 0.675 63.799 63.100 0.041 0.000 0.772 43 P CB 0.504 32.216 31.700 0.020 0.000 0.855 44 G N 1.429 110.259 108.800 0.051 0.000 2.141 44 G HA2 -0.032 3.930 3.960 0.004 0.000 0.242 44 G HA3 -0.032 3.930 3.960 0.004 0.000 0.242 44 G C 0.779 175.699 174.900 0.034 0.000 0.982 44 G CA 0.255 45.380 45.100 0.042 0.000 0.662 44 G HN 1.063 nan 8.290 nan 0.000 0.527 45 G N -2.444 106.379 108.800 0.038 0.000 2.195 45 G HA2 -0.027 3.935 3.960 0.004 0.000 0.224 45 G HA3 -0.027 3.935 3.960 0.004 0.000 0.224 45 G C 0.485 175.411 174.900 0.043 0.000 0.990 45 G CA 0.301 45.422 45.100 0.036 0.000 0.639 45 G HN 1.619 nan 8.290 nan 0.000 0.514 46 V N 2.674 122.615 119.914 0.045 0.000 2.324 46 V HA 0.265 4.387 4.120 0.004 0.000 0.244 46 V C 0.942 177.073 176.094 0.063 0.000 1.144 46 V CA 0.854 63.186 62.300 0.053 0.000 1.158 46 V CB -0.228 31.625 31.823 0.050 0.000 1.254 46 V HN 0.637 nan 8.190 nan 0.000 0.492 47 N N 1.360 120.101 118.700 0.068 0.000 2.282 47 N HA 0.162 4.904 4.740 0.004 0.000 0.240 47 N C -0.059 175.506 175.510 0.091 0.000 1.182 47 N CA -0.282 52.817 53.050 0.082 0.000 0.874 47 N CB 1.182 39.720 38.487 0.086 0.000 1.126 47 N HN 0.405 nan 8.380 nan 0.000 0.516 48 T N 0.269 114.874 114.554 0.085 0.000 3.097 48 T HA 0.303 4.655 4.350 0.004 0.000 0.332 48 T C -2.376 172.377 174.700 0.088 0.000 1.269 48 T CA -1.219 60.932 62.100 0.085 0.000 1.076 48 T CB 1.908 70.822 68.868 0.077 0.000 1.209 48 T HN -0.283 nan 8.240 nan 0.000 0.474 49 P HA -0.109 nan 4.420 nan 0.000 0.218 49 P C 1.315 178.690 177.300 0.126 0.000 1.148 49 P CA 1.220 64.378 63.100 0.096 0.000 0.822 49 P CB 0.244 31.986 31.700 0.069 0.000 0.784 50 Q N -0.452 119.413 119.800 0.109 0.000 2.084 50 Q HA -0.132 4.211 4.340 0.004 0.000 0.202 50 Q C 2.301 178.392 176.000 0.152 0.000 0.978 50 Q CA 1.263 57.148 55.803 0.137 0.000 0.844 50 Q CB -0.474 28.320 28.738 0.094 0.000 0.898 50 Q HN 0.274 nan 8.270 nan 0.000 0.426 51 R N 0.230 120.794 120.500 0.106 0.000 2.148 51 R HA -0.090 4.252 4.340 0.004 0.000 0.227 51 R C 2.162 178.508 176.300 0.077 0.000 1.103 51 R CA 0.624 56.771 56.100 0.078 0.000 0.983 51 R CB -0.137 30.199 30.300 0.061 0.000 0.874 51 R HN 0.166 nan 8.270 nan 0.000 0.451 52 L N -0.158 121.131 121.223 0.109 0.000 2.131 52 L HA -0.096 4.246 4.340 0.004 0.000 0.206 52 L C 1.837 178.798 176.870 0.152 0.000 1.087 52 L CA 1.463 56.370 54.840 0.111 0.000 0.767 52 L CB -0.443 41.692 42.059 0.126 0.000 0.917 52 L HN 0.299 nan 8.230 nan 0.000 0.441 53 W N 0.692 122.003 121.300 0.019 0.000 2.358 53 W HA -0.227 4.436 4.660 0.005 0.000 0.303 53 W C 1.961 178.486 176.519 0.010 0.000 1.208 53 W CA 1.651 59.006 57.345 0.016 0.000 1.274 53 W CB 0.097 29.567 29.460 0.016 0.000 1.138 53 W HN 0.256 nan 8.180 nan 0.000 0.515 54 E N 0.567 120.728 120.200 -0.065 0.000 2.118 54 E HA -0.276 4.077 4.350 0.004 0.000 0.195 54 E C 2.024 178.500 176.600 -0.207 0.000 0.992 54 E CA 1.753 58.054 56.400 -0.166 0.000 0.804 54 E CB -0.536 29.144 29.700 -0.034 0.000 0.741 54 E HN 0.172 nan 8.360 nan 0.000 0.458 55 L N 0.376 121.519 121.223 -0.133 0.000 2.027 55 L HA -0.136 4.206 4.340 0.004 0.000 0.206 55 L C 1.930 178.682 176.870 -0.196 0.000 1.074 55 L CA 1.481 56.248 54.840 -0.121 0.000 0.745 55 L CB -0.240 41.788 42.059 -0.050 0.000 0.898 55 L HN 0.132 nan 8.230 nan 0.000 0.433 56 L N -0.399 120.676 121.223 -0.247 0.000 2.012 56 L HA -0.223 4.119 4.340 0.004 0.000 0.210 56 L C 2.844 179.420 176.870 -0.489 0.000 1.073 56 L CA 1.676 56.329 54.840 -0.313 0.000 0.748 56 L CB -0.819 41.088 42.059 -0.253 0.000 0.891 56 L HN 0.348 nan 8.230 nan 0.000 0.431 57 R N 1.224 121.255 120.500 -0.782 0.000 2.090 57 R HA -0.149 4.193 4.340 0.004 0.000 0.228 57 R C 1.606 177.690 176.300 -0.360 0.000 1.110 57 R CA 1.550 57.222 56.100 -0.713 0.000 0.973 57 R CB -0.193 29.502 30.300 -1.008 0.000 0.869 57 R HN 0.475 nan 8.270 nan 0.000 0.440 58 E N -0.369 119.663 120.200 -0.280 0.000 2.511 58 E HA 0.061 4.413 4.350 0.004 0.000 0.196 58 E C 0.658 177.167 176.600 -0.152 0.000 1.066 58 E CA 0.405 56.701 56.400 -0.174 0.000 0.871 58 E CB -0.044 29.579 29.700 -0.129 0.000 0.863 58 E HN 0.602 nan 8.360 nan 0.000 0.520 59 G N 1.458 110.148 108.800 -0.183 0.000 2.341 59 G HA2 -0.290 3.672 3.960 0.004 0.000 0.292 59 G HA3 -0.290 3.672 3.960 0.004 0.000 0.292 59 G C 0.450 175.277 174.900 -0.121 0.000 1.021 59 G CA 0.098 45.106 45.100 -0.154 0.000 0.905 59 G HN 0.471 nan 8.290 nan 0.000 0.508 60 G N -1.345 107.391 108.800 -0.106 0.000 2.535 60 G HA2 0.664 4.626 3.960 0.004 0.000 0.303 60 G HA3 0.664 4.626 3.960 0.004 0.000 0.303 60 G C -0.321 174.555 174.900 -0.040 0.000 1.237 60 G CA -0.458 44.602 45.100 -0.066 0.000 0.986 60 G HN 0.430 nan 8.290 nan 0.000 0.494 61 E N -1.764 118.430 120.200 -0.011 0.000 2.340 61 E HA 0.392 4.744 4.350 0.004 0.000 0.273 61 E C -0.248 176.365 176.600 0.022 0.000 0.891 61 E CA -0.590 55.822 56.400 0.019 0.000 0.757 61 E CB 2.067 31.797 29.700 0.050 0.000 1.231 61 E HN 0.496 nan 8.360 nan 0.000 0.439 62 T N -0.737 113.835 114.554 0.030 0.000 3.132 62 T HA 0.255 4.607 4.350 0.004 0.000 0.274 62 T C 0.441 175.169 174.700 0.047 0.000 1.011 62 T CA -0.436 61.684 62.100 0.034 0.000 0.899 62 T CB -0.070 68.816 68.868 0.030 0.000 1.089 62 T HN 0.122 nan 8.240 nan 0.000 0.543 63 L N 3.555 124.807 121.223 0.049 0.000 2.554 63 L HA 0.350 4.692 4.340 0.004 0.000 0.293 63 L C 0.761 177.686 176.870 0.091 0.000 1.252 63 L CA 1.191 56.069 54.840 0.064 0.000 0.862 63 L CB 0.325 42.415 42.059 0.052 0.000 1.113 63 L HN 0.693 nan 8.230 nan 0.000 0.510 64 S N 0.538 116.328 115.700 0.151 0.000 2.643 64 S HA 0.755 5.228 4.470 0.004 0.000 0.270 64 S C -0.264 174.464 174.600 0.214 0.000 1.166 64 S CA -0.507 57.785 58.200 0.153 0.000 0.815 64 S CB 0.641 63.933 63.200 0.153 0.000 1.139 64 S HN 0.852 nan 8.310 nan 0.000 0.472 65 G N 0.085 108.965 108.800 0.134 0.000 2.667 65 G HA2 0.450 4.412 3.960 0.004 0.000 0.250 65 G HA3 0.450 4.412 3.960 0.004 0.000 0.250 65 G C -0.440 174.605 174.900 0.241 0.000 1.212 65 G CA -0.475 44.691 45.100 0.109 0.000 0.874 65 G HN 0.440 nan 8.290 nan 0.000 0.561 66 F N 0.424 120.345 119.950 -0.048 0.000 2.545 66 F HA 0.249 4.779 4.527 0.004 0.000 0.348 66 F C -1.320 174.198 175.800 -0.470 0.000 1.163 66 F CA -2.018 55.801 58.000 -0.303 0.000 1.331 66 F CB 0.245 39.241 39.000 -0.007 0.000 1.138 66 F HN 0.126 nan 8.300 nan 0.000 0.602 67 P HA 0.141 nan 4.420 nan 0.000 0.276 67 P C 0.384 177.374 177.300 -0.517 0.000 1.230 67 P CA -0.052 62.647 63.100 -0.669 0.000 0.776 67 P CB 0.377 31.476 31.700 -1.001 0.000 0.888 68 T N -2.686 111.663 114.554 -0.341 0.000 3.129 68 T HA 0.003 4.355 4.350 0.004 0.000 0.251 68 T C 0.464 174.993 174.700 -0.286 0.000 1.117 68 T CA 0.295 62.251 62.100 -0.241 0.000 1.034 68 T CB -0.453 68.330 68.868 -0.143 0.000 0.968 68 T HN 0.445 nan 8.240 nan 0.000 0.526 69 D N 0.302 120.449 120.400 -0.422 0.000 2.650 69 D HA 0.140 4.782 4.640 0.004 0.000 0.265 69 D C 0.951 176.863 176.300 -0.646 0.000 1.339 69 D CA -0.548 53.194 54.000 -0.430 0.000 0.816 69 D CB -0.139 40.434 40.800 -0.379 0.000 1.091 69 D HN 0.214 nan 8.370 nan 0.000 0.483 70 R N -0.353 119.729 120.500 -0.697 0.000 2.508 70 R HA 0.410 4.752 4.340 0.004 0.000 0.300 70 R C 1.196 177.476 176.300 -0.034 0.000 0.970 70 R CA 0.418 56.088 56.100 -0.718 0.000 1.102 70 R CB 0.947 30.732 30.300 -0.858 0.000 1.246 70 R HN 0.196 nan 8.270 nan 0.000 0.539 71 G N 0.129 108.902 108.800 -0.044 0.000 2.195 71 G HA2 -0.218 3.744 3.960 0.004 0.000 0.246 71 G HA3 -0.218 3.744 3.960 0.004 0.000 0.246 71 G C -0.249 174.830 174.900 0.300 0.000 0.984 71 G CA -0.242 44.967 45.100 0.182 0.000 0.633 71 G HN 0.126 nan 8.290 nan 0.000 0.525 72 W N 1.522 122.843 121.300 0.037 0.000 2.231 72 W HA 0.479 5.141 4.660 0.003 0.000 0.341 72 W C 0.454 176.983 176.519 0.017 0.000 1.298 72 W CA -0.654 56.705 57.345 0.024 0.000 1.266 72 W CB 0.078 29.534 29.460 -0.006 0.000 1.172 72 W HN 0.132 nan 8.180 nan 0.000 0.568 73 D N 3.240 123.776 120.400 0.227 0.000 2.608 73 D HA 0.082 4.724 4.640 0.004 0.000 0.224 73 D C 1.327 177.696 176.300 0.116 0.000 1.123 73 D CA 0.126 54.205 54.000 0.131 0.000 1.030 73 D CB -0.134 40.712 40.800 0.076 0.000 1.093 73 D HN 0.309 nan 8.370 nan 0.000 0.497 74 L N 1.441 122.757 121.223 0.154 0.000 2.127 74 L HA -0.189 4.153 4.340 0.004 0.000 0.211 74 L C 2.431 179.357 176.870 0.093 0.000 1.089 74 L CA 1.182 56.109 54.840 0.146 0.000 0.757 74 L CB -0.454 41.726 42.059 0.201 0.000 0.899 74 L HN 0.324 nan 8.230 nan 0.000 0.434 75 A N 0.041 122.914 122.820 0.088 0.000 1.933 75 A HA -0.170 4.152 4.320 0.004 0.000 0.218 75 A C 2.330 179.955 177.584 0.068 0.000 1.175 75 A CA 1.415 53.502 52.037 0.083 0.000 0.628 75 A CB -0.346 18.692 19.000 0.065 0.000 0.814 75 A HN 0.346 nan 8.150 nan 0.000 0.444 76 R N -1.366 119.159 120.500 0.041 0.000 2.334 76 R HA 0.193 4.535 4.340 0.004 0.000 0.216 76 R C 1.217 177.516 176.300 -0.002 0.000 0.905 76 R CA -0.024 56.095 56.100 0.033 0.000 1.064 76 R CB 0.005 30.323 30.300 0.029 0.000 1.046 76 R HN 0.444 nan 8.270 nan 0.000 0.508 77 L N -0.161 121.005 121.223 -0.095 0.000 2.375 77 L HA 0.101 4.443 4.340 0.004 0.000 0.215 77 L C -0.003 176.732 176.870 -0.225 0.000 1.108 77 L CA 1.318 56.035 54.840 -0.205 0.000 0.830 77 L CB 0.014 41.883 42.059 -0.317 0.000 0.959 77 L HN 0.044 nan 8.230 nan 0.000 0.457 78 H N -1.189 117.947 119.070 0.109 0.000 2.459 78 H HA 0.529 5.088 4.556 0.003 0.000 0.332 78 H C -1.117 174.306 175.328 0.159 0.000 1.094 78 H CA -0.465 55.636 56.048 0.087 0.000 1.224 78 H CB 0.952 30.710 29.762 -0.006 0.000 1.449 78 H HN 0.114 nan 8.280 nan 0.000 0.484 79 H N 3.355 122.546 119.070 0.202 0.000 3.083 79 H HA 0.142 4.701 4.556 0.003 0.000 0.339 79 H C -2.117 173.314 175.328 0.172 0.000 1.020 79 H CA -1.852 54.286 56.048 0.151 0.000 1.360 79 H CB 1.896 31.729 29.762 0.118 0.000 1.811 79 H HN 0.436 nan 8.280 nan 0.000 0.493 80 P HA -0.115 nan 4.420 nan 0.000 0.221 80 P C 0.039 177.383 177.300 0.074 0.000 1.145 80 P CA 0.906 63.995 63.100 -0.018 0.000 0.795 80 P CB 0.361 31.983 31.700 -0.130 0.000 0.775 81 D N -0.051 120.497 120.400 0.248 0.000 2.380 81 D HA 0.132 4.774 4.640 0.004 0.000 0.230 81 D C -1.553 174.911 176.300 0.274 0.000 1.154 81 D CA -2.435 51.722 54.000 0.261 0.000 0.859 81 D CB 1.136 42.115 40.800 0.299 0.000 1.045 81 D HN -0.094 nan 8.370 nan 0.000 0.495 82 P HA -0.130 nan 4.420 nan 0.000 0.217 82 P C 0.569 177.995 177.300 0.210 0.000 1.151 82 P CA 0.962 64.230 63.100 0.280 0.000 0.849 82 P CB 0.379 32.152 31.700 0.121 0.000 0.787 83 D N -1.734 118.745 120.400 0.131 0.000 2.349 83 D HA -0.027 4.615 4.640 0.004 0.000 0.224 83 D C 0.501 176.834 176.300 0.055 0.000 1.029 83 D CA 0.395 54.447 54.000 0.085 0.000 0.879 83 D CB -0.895 39.939 40.800 0.058 0.000 0.906 83 D HN 0.203 nan 8.370 nan 0.000 0.528 84 N N 2.118 120.851 118.700 0.055 0.000 2.405 84 N HA 0.063 4.805 4.740 0.004 0.000 0.260 84 N C -2.483 173.017 175.510 -0.016 0.000 1.152 84 N CA -1.254 51.763 53.050 -0.055 0.000 0.948 84 N CB 0.907 39.241 38.487 -0.256 0.000 1.111 84 N HN -0.120 nan 8.380 nan 0.000 0.485 85 P HA 0.110 nan 4.420 nan 0.000 0.266 85 P C 0.654 177.951 177.300 -0.004 0.000 1.195 85 P CA 0.402 63.499 63.100 -0.004 0.000 0.768 85 P CB 0.715 32.406 31.700 -0.015 0.000 0.838 86 G N 1.206 110.014 108.800 0.012 0.000 2.179 86 G HA2 -0.195 3.768 3.960 0.004 0.000 0.260 86 G HA3 -0.195 3.768 3.960 0.004 0.000 0.260 86 G C 0.243 175.157 174.900 0.023 0.000 0.977 86 G CA 0.551 45.655 45.100 0.008 0.000 0.641 86 G HN 0.943 nan 8.290 nan 0.000 0.533 87 T N -2.592 111.996 114.554 0.057 0.000 2.907 87 T HA 0.767 5.119 4.350 0.004 0.000 0.290 87 T C -0.306 174.487 174.700 0.155 0.000 1.066 87 T CA 0.249 62.406 62.100 0.095 0.000 1.012 87 T CB 2.251 71.195 68.868 0.127 0.000 1.184 87 T HN 1.058 nan 8.240 nan 0.000 0.522 88 S N -0.067 115.747 115.700 0.188 0.000 2.501 88 S HA 0.452 4.924 4.470 0.004 0.000 0.301 88 S C -0.033 174.725 174.600 0.262 0.000 1.096 88 S CA -0.868 57.467 58.200 0.226 0.000 1.063 88 S CB 0.477 63.873 63.200 0.326 0.000 1.042 88 S HN 0.834 nan 8.310 nan 0.000 0.494 89 Y N 2.888 123.335 120.300 0.244 0.000 2.461 89 Y HA 0.641 5.193 4.550 0.004 0.000 0.277 89 Y C -0.167 175.793 175.900 0.099 0.000 1.182 89 Y CA -0.676 57.523 58.100 0.165 0.000 1.276 89 Y CB -0.368 38.176 38.460 0.141 0.000 1.087 89 Y HN 0.245 nan 8.280 nan 0.000 0.519 90 V N 2.289 122.252 119.914 0.083 0.000 2.656 90 V HA 0.261 4.383 4.120 0.004 0.000 0.307 90 V C -0.746 175.178 176.094 -0.283 0.000 1.051 90 V CA -0.701 61.594 62.300 -0.009 0.000 0.893 90 V CB 2.143 33.995 31.823 0.049 0.000 0.999 90 V HN 0.379 nan 8.190 nan 0.000 0.426 91 D N 2.132 122.228 120.400 -0.507 0.000 2.535 91 D HA 0.220 4.862 4.640 0.004 0.000 0.229 91 D C 0.094 176.010 176.300 -0.640 0.000 1.238 91 D CA -0.249 53.103 54.000 -1.080 0.000 0.824 91 D CB 0.434 40.473 40.800 -1.267 0.000 1.045 91 D HN 0.234 nan 8.370 nan 0.000 0.500 92 K N 0.204 120.482 120.400 -0.203 0.000 2.328 92 K HA 0.822 5.144 4.320 0.004 0.000 0.246 92 K C 0.196 176.955 176.600 0.265 0.000 0.955 92 K CA -0.806 55.524 56.287 0.071 0.000 0.817 92 K CB 2.596 35.112 32.500 0.026 0.000 1.208 92 K HN 0.185 nan 8.250 nan 0.000 0.432 93 G N -0.694 108.285 108.800 0.299 0.000 2.322 93 G HA2 0.421 4.383 3.960 0.004 0.000 0.295 93 G HA3 0.421 4.383 3.960 0.004 0.000 0.295 93 G C -1.460 173.343 174.900 -0.162 0.000 1.369 93 G CA -0.595 44.583 45.100 0.130 0.000 0.821 93 G HN 0.567 nan 8.290 nan 0.000 0.536 94 G N -0.707 107.826 108.800 -0.446 0.000 2.437 94 G HA2 0.681 4.643 3.960 0.004 0.000 0.315 94 G HA3 0.681 4.643 3.960 0.004 0.000 0.315 94 G C -1.285 173.297 174.900 -0.530 0.000 1.210 94 G CA -0.397 44.518 45.100 -0.307 0.000 0.943 94 G HN 0.415 nan 8.290 nan 0.000 0.471 95 F N 0.772 120.766 119.950 0.073 0.000 2.577 95 F HA 0.512 5.041 4.527 0.004 0.000 0.318 95 F C 0.372 176.172 175.800 0.000 0.000 1.065 95 F CA -0.940 57.078 58.000 0.030 0.000 0.929 95 F CB 2.001 40.998 39.000 -0.006 0.000 1.237 95 F HN 0.201 nan 8.300 nan 0.000 0.468 96 L N 2.443 123.771 121.223 0.174 0.000 2.439 96 L HA 0.192 4.534 4.340 0.004 0.000 0.269 96 L C 0.845 177.747 176.870 0.053 0.000 1.179 96 L CA -0.244 54.648 54.840 0.086 0.000 0.828 96 L CB 0.400 42.493 42.059 0.057 0.000 1.106 96 L HN 0.609 nan 8.230 nan 0.000 0.467 97 D N 0.932 121.351 120.400 0.032 0.000 2.097 97 D HA -0.114 4.528 4.640 0.004 0.000 0.197 97 D C 0.485 176.763 176.300 -0.038 0.000 0.984 97 D CA 1.503 55.503 54.000 -0.000 0.000 0.826 97 D CB 0.101 40.907 40.800 0.010 0.000 0.973 97 D HN 0.670 nan 8.370 nan 0.000 0.460 98 D N -0.539 119.849 120.400 -0.021 0.000 2.378 98 D HA 0.317 4.960 4.640 0.004 0.000 0.265 98 D C 0.283 176.576 176.300 -0.013 0.000 1.229 98 D CA -0.534 53.440 54.000 -0.043 0.000 0.914 98 D CB 1.244 42.022 40.800 -0.036 0.000 1.140 98 D HN -0.088 nan 8.370 nan 0.000 0.516 99 A N 1.928 124.726 122.820 -0.038 0.000 2.119 99 A HA 0.276 4.599 4.320 0.004 0.000 0.216 99 A C 1.980 179.615 177.584 0.085 0.000 1.152 99 A CA 1.161 53.212 52.037 0.022 0.000 0.708 99 A CB 0.014 19.036 19.000 0.037 0.000 0.805 99 A HN 0.602 nan 8.150 nan 0.000 0.460 100 A N -0.212 122.633 122.820 0.040 0.000 2.044 100 A HA 0.446 4.768 4.320 0.004 0.000 0.213 100 A C 1.553 179.260 177.584 0.204 0.000 1.169 100 A CA 0.693 52.836 52.037 0.177 0.000 0.724 100 A CB -0.827 18.195 19.000 0.036 0.000 0.840 100 A HN 0.691 nan 8.150 nan 0.000 0.463 101 G N -0.710 108.168 108.800 0.130 0.000 2.380 101 G HA2 0.382 4.344 3.960 0.004 0.000 0.242 101 G HA3 0.382 4.344 3.960 0.004 0.000 0.242 101 G C -0.859 174.236 174.900 0.325 0.000 1.298 101 G CA 0.176 45.381 45.100 0.175 0.000 0.878 101 G HN 0.340 nan 8.290 nan 0.000 0.542 102 F N 1.550 121.611 119.950 0.185 0.000 2.622 102 F HA 0.279 4.808 4.527 0.003 0.000 0.318 102 F C -1.230 174.715 175.800 0.243 0.000 1.135 102 F CA -1.751 56.356 58.000 0.179 0.000 1.015 102 F CB 2.188 41.323 39.000 0.225 0.000 1.275 102 F HN 0.413 nan 8.300 nan 0.000 0.457 103 D N 4.568 124.786 120.400 -0.304 0.000 2.402 103 D HA 0.399 5.041 4.640 0.004 0.000 0.235 103 D C 0.707 176.609 176.300 -0.662 0.000 1.226 103 D CA 0.602 54.425 54.000 -0.295 0.000 0.918 103 D CB 1.436 42.212 40.800 -0.038 0.000 1.043 103 D HN 0.685 nan 8.370 nan 0.000 0.506 104 A N 4.220 126.769 122.820 -0.453 0.000 1.935 104 A HA -0.073 4.249 4.320 0.004 0.000 0.214 104 A C 1.897 179.396 177.584 -0.142 0.000 1.178 104 A CA 0.649 52.456 52.037 -0.383 0.000 0.640 104 A CB -0.107 18.773 19.000 -0.199 0.000 0.825 104 A HN 0.591 nan 8.150 nan 0.000 0.447 105 E N -0.987 119.169 120.200 -0.074 0.000 2.085 105 E HA -0.216 4.136 4.350 0.004 0.000 0.194 105 E C 1.696 178.209 176.600 -0.145 0.000 0.994 105 E CA 1.230 57.593 56.400 -0.062 0.000 0.801 105 E CB -0.349 29.338 29.700 -0.022 0.000 0.743 105 E HN 0.660 nan 8.360 nan 0.000 0.453 106 F N 0.262 120.003 119.950 -0.348 0.000 2.141 106 F HA -0.250 4.279 4.527 0.003 0.000 0.300 106 F C 1.322 176.671 175.800 -0.752 0.000 1.079 106 F CA 1.416 59.028 58.000 -0.648 0.000 1.264 106 F CB 0.045 38.541 39.000 -0.840 0.000 1.011 106 F HN -0.059 nan 8.300 nan 0.000 0.487 107 F N -0.156 119.663 119.950 -0.218 0.000 2.668 107 F HA 0.348 4.877 4.527 0.003 0.000 0.301 107 F C 1.457 177.207 175.800 -0.083 0.000 1.106 107 F CA 0.264 58.176 58.000 -0.147 0.000 1.289 107 F CB 0.176 39.188 39.000 0.019 0.000 1.006 107 F HN 0.009 nan 8.300 nan 0.000 0.535 108 G N 0.904 109.691 108.800 -0.022 0.000 2.179 108 G HA2 -0.262 3.700 3.960 0.004 0.000 0.257 108 G HA3 -0.262 3.700 3.960 0.004 0.000 0.257 108 G C -0.101 174.834 174.900 0.058 0.000 1.010 108 G CA 0.341 45.446 45.100 0.008 0.000 0.736 108 G HN 0.191 nan 8.290 nan 0.000 0.513 109 V N 1.170 121.119 119.914 0.058 0.000 2.435 109 V HA 0.666 4.789 4.120 0.004 0.000 0.290 109 V C 0.994 177.067 176.094 -0.035 0.000 1.030 109 V CA -0.182 62.133 62.300 0.025 0.000 0.881 109 V CB 1.652 33.538 31.823 0.105 0.000 0.983 109 V HN 0.894 nan 8.190 nan 0.000 0.445 110 S N 5.540 121.195 115.700 -0.074 0.000 2.585 110 S HA 0.281 4.753 4.470 0.004 0.000 0.273 110 S C -1.485 173.052 174.600 -0.104 0.000 1.339 110 S CA -0.767 57.401 58.200 -0.053 0.000 1.028 110 S CB 1.152 64.354 63.200 0.004 0.000 0.906 110 S HN 0.534 nan 8.310 nan 0.000 0.528 111 P HA -0.149 nan 4.420 nan 0.000 0.217 111 P C 1.531 178.845 177.300 0.024 0.000 1.158 111 P CA 1.466 64.609 63.100 0.071 0.000 0.887 111 P CB 0.020 31.844 31.700 0.207 0.000 0.792 112 R N -0.599 119.923 120.500 0.037 0.000 2.081 112 R HA -0.152 4.190 4.340 0.004 0.000 0.235 112 R C 2.429 178.671 176.300 -0.098 0.000 1.131 112 R CA 1.562 57.698 56.100 0.060 0.000 0.960 112 R CB -0.562 29.850 30.300 0.187 0.000 0.856 112 R HN 0.266 nan 8.270 nan 0.000 0.436 113 E N -0.007 119.916 120.200 -0.463 0.000 2.051 113 E HA -0.216 4.136 4.350 0.004 0.000 0.192 113 E C 1.878 178.240 176.600 -0.397 0.000 0.991 113 E CA 1.201 57.087 56.400 -0.856 0.000 0.799 113 E CB -0.079 28.831 29.700 -1.317 0.000 0.748 113 E HN 0.389 nan 8.360 nan 0.000 0.449 114 A N 1.392 123.999 122.820 -0.356 0.000 1.903 114 A HA -0.251 4.071 4.320 0.004 0.000 0.219 114 A C 2.445 179.895 177.584 -0.224 0.000 1.191 114 A CA 2.349 54.151 52.037 -0.391 0.000 0.638 114 A CB -1.077 17.411 19.000 -0.854 0.000 0.823 114 A HN 0.449 nan 8.150 nan 0.000 0.451 115 A N -0.467 122.315 122.820 -0.063 0.000 1.908 115 A HA 0.092 4.414 4.320 0.004 0.000 0.218 115 A C 2.476 180.140 177.584 0.134 0.000 1.181 115 A CA 2.418 54.552 52.037 0.161 0.000 0.627 115 A CB -0.963 18.145 19.000 0.180 0.000 0.818 115 A HN 1.203 nan 8.150 nan 0.000 0.445 116 A N -1.190 121.663 122.820 0.054 0.000 2.016 116 A HA 0.273 4.595 4.320 0.004 0.000 0.217 116 A C 1.279 178.914 177.584 0.086 0.000 1.162 116 A CA 0.328 52.419 52.037 0.090 0.000 0.662 116 A CB -0.377 18.676 19.000 0.088 0.000 0.812 116 A HN 0.534 nan 8.150 nan 0.000 0.450 117 M N 1.634 121.185 119.600 -0.081 0.000 2.269 117 M HA 0.021 4.503 4.480 0.004 0.000 0.350 117 M C -0.085 175.936 176.300 -0.464 0.000 1.429 117 M CA -0.197 54.965 55.300 -0.229 0.000 1.063 117 M CB -0.018 32.371 32.600 -0.352 0.000 1.841 117 M HN 0.330 nan 8.290 nan 0.000 0.455 118 D N 5.744 125.841 120.400 -0.504 0.000 2.571 118 D HA -0.032 4.610 4.640 0.004 0.000 0.231 118 D C -1.735 174.187 176.300 -0.631 0.000 1.133 118 D CA -0.922 52.614 54.000 -0.773 0.000 0.862 118 D CB 0.865 41.469 40.800 -0.327 0.000 1.179 118 D HN 0.255 nan 8.370 nan 0.000 0.474 119 P HA -0.197 nan 4.420 nan 0.000 0.216 119 P C 1.134 178.296 177.300 -0.230 0.000 1.150 119 P CA 1.550 64.469 63.100 -0.303 0.000 0.843 119 P CB 0.063 31.708 31.700 -0.092 0.000 0.787 120 Q N -0.394 119.298 119.800 -0.180 0.000 2.062 120 Q HA -0.268 4.074 4.340 0.004 0.000 0.209 120 Q C 2.360 178.267 176.000 -0.155 0.000 0.996 120 Q CA 1.755 57.489 55.803 -0.114 0.000 0.859 120 Q CB -0.638 28.072 28.738 -0.047 0.000 0.920 120 Q HN 0.449 nan 8.270 nan 0.000 0.415 121 Q N 0.089 119.761 119.800 -0.214 0.000 2.084 121 Q HA -0.140 4.202 4.340 0.004 0.000 0.202 121 Q C 2.165 177.953 176.000 -0.353 0.000 0.978 121 Q CA 1.110 56.767 55.803 -0.242 0.000 0.844 121 Q CB -0.089 28.501 28.738 -0.247 0.000 0.898 121 Q HN 0.292 nan 8.270 nan 0.000 0.426 122 R N 0.307 120.496 120.500 -0.519 0.000 2.081 122 R HA -0.114 4.228 4.340 0.004 0.000 0.235 122 R C 2.233 178.289 176.300 -0.405 0.000 1.131 122 R CA 1.121 56.720 56.100 -0.834 0.000 0.960 122 R CB -0.313 29.260 30.300 -1.211 0.000 0.856 122 R HN 0.209 nan 8.270 nan 0.000 0.436 123 L N 0.465 121.544 121.223 -0.241 0.000 2.291 123 L HA -0.117 4.226 4.340 0.004 0.000 0.214 123 L C 2.147 178.973 176.870 -0.073 0.000 1.120 123 L CA 0.805 55.583 54.840 -0.103 0.000 0.799 123 L CB -0.181 41.847 42.059 -0.053 0.000 0.925 123 L HN 0.159 nan 8.230 nan 0.000 0.446 124 L N -1.049 120.109 121.223 -0.107 0.000 2.109 124 L HA -0.171 4.171 4.340 0.004 0.000 0.207 124 L C 2.358 179.190 176.870 -0.063 0.000 1.086 124 L CA 0.912 55.718 54.840 -0.056 0.000 0.760 124 L CB -0.280 41.747 42.059 -0.053 0.000 0.910 124 L HN 0.232 nan 8.230 nan 0.000 0.437 125 L N -0.576 120.516 121.223 -0.219 0.000 2.017 125 L HA -0.227 4.115 4.340 0.004 0.000 0.208 125 L C 2.564 179.359 176.870 -0.126 0.000 1.073 125 L CA 1.412 56.014 54.840 -0.398 0.000 0.745 125 L CB -0.431 40.967 42.059 -1.101 0.000 0.894 125 L HN 0.280 nan 8.230 nan 0.000 0.432 126 E N -0.646 119.488 120.200 -0.110 0.000 2.051 126 E HA -0.197 4.155 4.350 0.004 0.000 0.192 126 E C 2.095 178.879 176.600 0.306 0.000 0.991 126 E CA 1.800 58.254 56.400 0.090 0.000 0.799 126 E CB -0.054 29.541 29.700 -0.176 0.000 0.748 126 E HN 0.422 nan 8.360 nan 0.000 0.449 127 T N 0.346 115.008 114.554 0.180 0.000 2.867 127 T HA -0.114 4.238 4.350 0.004 0.000 0.268 127 T C 2.107 176.944 174.700 0.228 0.000 1.057 127 T CA 1.404 63.620 62.100 0.194 0.000 1.136 127 T CB -0.091 68.846 68.868 0.115 0.000 0.874 127 T HN 0.218 nan 8.240 nan 0.000 0.466 128 S N 0.186 116.027 115.700 0.235 0.000 2.425 128 S HA -0.029 4.443 4.470 0.004 0.000 0.225 128 S C 1.847 176.623 174.600 0.294 0.000 1.024 128 S CA -0.097 58.233 58.200 0.216 0.000 0.951 128 S CB -0.652 62.648 63.200 0.166 0.000 0.796 128 S HN 0.661 nan 8.310 nan 0.000 0.498 129 W N 2.558 124.034 121.300 0.293 0.000 2.358 129 W HA -0.067 4.596 4.660 0.005 0.000 0.303 129 W C 1.840 178.520 176.519 0.269 0.000 1.208 129 W CA 1.752 59.310 57.345 0.355 0.000 1.274 129 W CB -0.356 29.463 29.460 0.600 0.000 1.138 129 W HN 0.454 nan 8.180 nan 0.000 0.515 130 E N 0.335 120.848 120.200 0.521 0.000 2.085 130 E HA -0.275 4.077 4.350 0.004 0.000 0.194 130 E C 2.155 178.853 176.600 0.165 0.000 0.994 130 E CA 1.756 58.363 56.400 0.346 0.000 0.801 130 E CB -0.563 29.331 29.700 0.322 0.000 0.743 130 E HN 0.198 nan 8.360 nan 0.000 0.453 131 L N 0.076 121.383 121.223 0.140 0.000 2.056 131 L HA -0.147 4.195 4.340 0.004 0.000 0.207 131 L C 2.091 178.956 176.870 -0.008 0.000 1.078 131 L CA 1.232 56.111 54.840 0.066 0.000 0.749 131 L CB -0.093 42.010 42.059 0.073 0.000 0.901 131 L HN -0.043 nan 8.230 nan 0.000 0.433 132 V N -0.252 119.626 119.914 -0.060 0.000 2.323 132 V HA -0.224 3.898 4.120 0.004 0.000 0.244 132 V C 2.502 178.495 176.094 -0.168 0.000 1.041 132 V CA 1.915 64.126 62.300 -0.150 0.000 1.025 132 V CB -0.685 30.999 31.823 -0.231 0.000 0.656 132 V HN 0.470 nan 8.190 nan 0.000 0.451 133 E N 0.445 120.536 120.200 -0.182 0.000 2.097 133 E HA -0.294 4.058 4.350 0.004 0.000 0.196 133 E C 2.064 178.637 176.600 -0.045 0.000 1.000 133 E CA 1.872 58.211 56.400 -0.102 0.000 0.804 133 E CB -0.306 29.402 29.700 0.013 0.000 0.740 133 E HN 0.692 nan 8.360 nan 0.000 0.454 134 N N -0.118 118.570 118.700 -0.019 0.000 2.223 134 N HA -0.134 4.608 4.740 0.004 0.000 0.185 134 N C 1.437 176.920 175.510 -0.046 0.000 1.016 134 N CA 0.715 53.757 53.050 -0.014 0.000 0.863 134 N CB -0.013 38.481 38.487 0.012 0.000 0.983 134 N HN 0.068 nan 8.380 nan 0.000 0.429 135 A N 0.296 123.068 122.820 -0.080 0.000 2.259 135 A HA 0.313 4.635 4.320 0.004 0.000 0.208 135 A C 1.363 178.871 177.584 -0.127 0.000 1.201 135 A CA 0.605 52.573 52.037 -0.116 0.000 0.824 135 A CB -0.531 18.363 19.000 -0.176 0.000 0.838 135 A HN 0.335 nan 8.150 nan 0.000 0.485 136 G N -0.860 107.889 108.800 -0.085 0.000 2.176 136 G HA2 -0.228 3.734 3.960 0.004 0.000 0.252 136 G HA3 -0.228 3.734 3.960 0.004 0.000 0.252 136 G C -0.076 174.790 174.900 -0.056 0.000 1.024 136 G CA 0.497 45.568 45.100 -0.050 0.000 0.755 136 G HN 0.520 nan 8.290 nan 0.000 0.507 137 I N 0.216 120.719 120.570 -0.111 0.000 2.474 137 I HA 0.312 4.484 4.170 0.004 0.000 0.294 137 I C -0.062 175.987 176.117 -0.114 0.000 1.005 137 I CA -1.090 60.150 61.300 -0.100 0.000 1.113 137 I CB 1.778 39.680 38.000 -0.163 0.000 1.289 137 I HN 0.105 nan 8.210 nan 0.000 0.436 138 D N 8.082 128.440 120.400 -0.070 0.000 2.382 138 D HA 0.085 4.727 4.640 0.004 0.000 0.259 138 D C -1.801 174.398 176.300 -0.168 0.000 1.224 138 D CA -1.570 52.369 54.000 -0.102 0.000 0.894 138 D CB 1.311 42.099 40.800 -0.020 0.000 1.127 138 D HN 0.163 nan 8.370 nan 0.000 0.487 139 P HA -0.199 nan 4.420 nan 0.000 0.216 139 P C 0.891 178.110 177.300 -0.135 0.000 1.153 139 P CA 1.218 64.028 63.100 -0.482 0.000 0.858 139 P CB 0.036 30.906 31.700 -1.385 0.000 0.789 140 H N -0.553 118.455 119.070 -0.103 0.000 2.431 140 H HA -0.107 4.450 4.556 0.003 0.000 0.297 140 H C 2.019 177.344 175.328 -0.005 0.000 1.115 140 H CA 1.745 57.797 56.048 0.007 0.000 1.277 140 H CB -1.184 28.604 29.762 0.044 0.000 1.372 140 H HN 0.228 nan 8.280 nan 0.000 0.516 141 S N 0.002 115.762 115.700 0.101 0.000 2.507 141 S HA -0.030 4.443 4.470 0.004 0.000 0.235 141 S C 1.954 176.581 174.600 0.044 0.000 0.988 141 S CA 0.390 58.628 58.200 0.064 0.000 0.944 141 S CB -0.418 62.816 63.200 0.055 0.000 0.762 141 S HN 0.370 nan 8.310 nan 0.000 0.526 142 L N 0.517 121.757 121.223 0.028 0.000 2.492 142 L HA 0.185 4.527 4.340 0.004 0.000 0.223 142 L C 1.035 177.924 176.870 0.033 0.000 1.132 142 L CA -0.038 54.818 54.840 0.026 0.000 0.850 142 L CB -0.331 41.733 42.059 0.007 0.000 0.966 142 L HN 0.154 nan 8.230 nan 0.000 0.454 143 R N 1.021 121.544 120.500 0.038 0.000 2.494 143 R HA 0.062 4.404 4.340 0.004 0.000 0.291 143 R C 1.244 177.552 176.300 0.013 0.000 0.953 143 R CA 0.817 56.929 56.100 0.019 0.000 1.098 143 R CB -0.204 30.094 30.300 -0.004 0.000 0.911 143 R HN 0.361 nan 8.270 nan 0.000 0.407 144 G N 1.887 110.692 108.800 0.009 0.000 2.205 144 G HA2 -0.337 3.625 3.960 0.004 0.000 0.261 144 G HA3 -0.337 3.625 3.960 0.004 0.000 0.261 144 G C 0.380 175.290 174.900 0.018 0.000 0.980 144 G CA 0.550 45.655 45.100 0.010 0.000 0.632 144 G HN 0.745 nan 8.290 nan 0.000 0.533 145 T N -1.827 112.741 114.554 0.024 0.000 2.874 145 T HA 0.678 5.030 4.350 0.004 0.000 0.281 145 T C 1.231 175.950 174.700 0.032 0.000 0.994 145 T CA 0.539 62.656 62.100 0.029 0.000 1.015 145 T CB 1.907 70.797 68.868 0.035 0.000 1.028 145 T HN 1.512 nan 8.240 nan 0.000 0.523 146 A N 1.573 124.414 122.820 0.036 0.000 2.233 146 A HA 0.294 4.616 4.320 0.004 0.000 0.230 146 A C 0.991 178.606 177.584 0.052 0.000 1.347 146 A CA -0.502 51.560 52.037 0.041 0.000 1.087 146 A CB -1.504 17.522 19.000 0.043 0.000 0.871 146 A HN 0.849 nan 8.150 nan 0.000 0.519 147 T N 1.022 115.605 114.554 0.049 0.000 2.867 147 T HA 0.398 4.750 4.350 0.004 0.000 0.297 147 T C 0.771 175.503 174.700 0.055 0.000 0.989 147 T CA 0.705 62.840 62.100 0.058 0.000 1.159 147 T CB 1.071 69.968 68.868 0.049 0.000 0.928 147 T HN 0.516 nan 8.240 nan 0.000 0.538 148 G N 1.359 110.211 108.800 0.087 0.000 2.509 148 G HA2 0.648 4.610 3.960 0.004 0.000 0.328 148 G HA3 0.648 4.610 3.960 0.004 0.000 0.328 148 G C -1.214 173.685 174.900 -0.002 0.000 1.194 148 G CA -0.647 44.471 45.100 0.030 0.000 0.967 148 G HN 0.665 nan 8.290 nan 0.000 0.488 149 V N 0.011 119.776 119.914 -0.249 0.000 2.638 149 V HA 0.546 4.669 4.120 0.004 0.000 0.306 149 V C -1.409 174.399 176.094 -0.476 0.000 1.052 149 V CA -0.575 61.616 62.300 -0.181 0.000 0.885 149 V CB 1.612 33.383 31.823 -0.088 0.000 0.999 149 V HN 0.595 nan 8.190 nan 0.000 0.424 150 F N 5.093 125.065 119.950 0.036 0.000 2.577 150 F HA 0.671 5.201 4.527 0.005 0.000 0.344 150 F C -0.301 175.521 175.800 0.037 0.000 1.145 150 F CA -0.403 57.619 58.000 0.037 0.000 0.996 150 F CB 1.440 40.464 39.000 0.040 0.000 1.248 150 F HN 0.151 nan 8.300 nan 0.000 0.447 151 L N 2.304 123.607 121.223 0.133 0.000 2.362 151 L HA 0.692 5.034 4.340 0.004 0.000 0.271 151 L C 0.449 177.372 176.870 0.088 0.000 1.002 151 L CA -1.222 53.680 54.840 0.103 0.000 0.818 151 L CB 2.138 44.230 42.059 0.054 0.000 1.298 151 L HN 0.667 nan 8.230 nan 0.000 0.420 152 G N 2.057 110.908 108.800 0.085 0.000 2.360 152 G HA2 0.501 4.463 3.960 0.004 0.000 0.279 152 G HA3 0.501 4.463 3.960 0.004 0.000 0.279 152 G C -0.562 174.368 174.900 0.051 0.000 1.189 152 G CA -0.023 45.117 45.100 0.066 0.000 0.941 152 G HN 0.296 nan 8.290 nan 0.000 0.445 153 V N 0.969 120.902 119.914 0.031 0.000 3.204 153 V HA 0.865 4.987 4.120 0.004 0.000 0.298 153 V C -0.147 175.937 176.094 -0.017 0.000 1.328 153 V CA -0.498 61.817 62.300 0.024 0.000 1.035 153 V CB 1.778 33.612 31.823 0.018 0.000 1.095 153 V HN 1.275 nan 8.190 nan 0.000 0.442 154 A N 1.815 124.609 122.820 -0.044 0.000 2.556 154 A HA 0.821 5.143 4.320 0.004 0.000 0.294 154 A C -1.030 176.447 177.584 -0.178 0.000 1.091 154 A CA -0.884 51.060 52.037 -0.153 0.000 0.704 154 A CB 1.655 20.484 19.000 -0.284 0.000 1.300 154 A HN 0.762 nan 8.150 nan 0.000 0.406 155 K N 0.391 120.668 120.400 -0.205 0.000 2.350 155 K HA 0.458 4.780 4.320 0.004 0.000 0.279 155 K C -1.382 174.986 176.600 -0.387 0.000 1.027 155 K CA 0.585 56.775 56.287 -0.161 0.000 0.969 155 K CB 0.345 32.782 32.500 -0.103 0.000 0.954 155 K HN 0.444 nan 8.250 nan 0.000 0.474 156 F N -0.624 119.309 119.950 -0.029 0.000 2.507 156 F HA 0.301 4.830 4.527 0.003 0.000 0.327 156 F C 1.387 177.192 175.800 0.009 0.000 1.068 156 F CA -0.950 57.036 58.000 -0.024 0.000 0.965 156 F CB 1.458 40.453 39.000 -0.009 0.000 1.192 156 F HN 0.609 nan 8.300 nan 0.000 0.476 157 G N 0.797 109.691 108.800 0.156 0.000 3.180 157 G HA2 -0.113 3.849 3.960 0.004 0.000 0.252 157 G HA3 -0.113 3.849 3.960 0.004 0.000 0.252 157 G C 0.600 175.542 174.900 0.070 0.000 0.871 157 G CA 0.103 45.244 45.100 0.069 0.000 1.979 157 G HN 0.769 nan 8.290 nan 0.000 0.624 158 Y N 1.153 121.437 120.300 -0.027 0.000 2.181 158 Y HA -0.080 4.472 4.550 0.004 0.000 0.288 158 Y C 2.547 178.367 175.900 -0.134 0.000 1.146 158 Y CA 1.864 59.890 58.100 -0.123 0.000 1.164 158 Y CB -0.111 38.253 38.460 -0.160 0.000 0.982 158 Y HN 0.316 nan 8.280 nan 0.000 0.515 159 G N 0.116 108.932 108.800 0.026 0.000 2.529 159 G HA2 -0.300 3.662 3.960 0.004 0.000 0.219 159 G HA3 -0.300 3.662 3.960 0.004 0.000 0.219 159 G C 0.209 175.023 174.900 -0.144 0.000 1.177 159 G CA 0.946 46.010 45.100 -0.060 0.000 0.773 159 G HN 0.555 nan 8.290 nan 0.000 0.573 160 E N 0.771 120.907 120.200 -0.106 0.000 2.290 160 E HA 0.448 4.800 4.350 0.004 0.000 0.277 160 E C -0.290 176.252 176.600 -0.097 0.000 1.035 160 E CA -0.298 56.051 56.400 -0.085 0.000 0.873 160 E CB 0.855 30.521 29.700 -0.056 0.000 1.029 160 E HN 0.239 nan 8.360 nan 0.000 0.419 161 D N 3.010 123.361 120.400 -0.081 0.000 5.500 161 D HA -0.133 4.509 4.640 0.004 0.000 0.227 161 D C -0.906 175.342 176.300 -0.086 0.000 1.663 161 D CA 1.024 54.980 54.000 -0.073 0.000 1.378 161 D CB -0.836 39.927 40.800 -0.062 0.000 0.536 161 D HN 1.077 nan 8.370 nan 0.000 0.273 162 T N -0.696 113.822 114.554 -0.060 0.000 5.254 162 T HA 0.291 4.643 4.350 0.004 0.000 0.266 162 T C 0.741 175.419 174.700 -0.037 0.000 2.219 162 T CA 0.875 62.948 62.100 -0.046 0.000 3.807 162 T CB -2.032 66.810 68.868 -0.044 0.000 0.159 162 T HN 2.110 nan 8.240 nan 0.000 1.149 168 V N 1.235 121.074 119.914 -0.126 0.000 2.982 168 V HA -0.197 3.925 4.120 0.004 0.000 0.265 168 V C 1.319 177.291 176.094 -0.203 0.000 1.122 168 V CA 1.669 63.890 62.300 -0.132 0.000 1.143 168 V CB -0.358 31.407 31.823 -0.097 0.000 0.726 168 V HN 0.420 nan 8.190 nan 0.000 0.507 169 E N -0.195 119.792 120.200 -0.355 0.000 2.489 169 E HA 0.316 4.668 4.350 0.004 0.000 0.204 169 E C 1.574 177.943 176.600 -0.385 0.000 1.006 169 E CA 0.543 56.638 56.400 -0.508 0.000 0.936 169 E CB 0.311 29.319 29.700 -1.155 0.000 1.002 169 E HN 0.455 nan 8.360 nan 0.000 0.488 170 G N 1.179 109.829 108.800 -0.251 0.000 2.323 170 G HA2 -0.339 3.623 3.960 0.004 0.000 0.292 170 G HA3 -0.339 3.623 3.960 0.004 0.000 0.292 170 G C 0.278 175.169 174.900 -0.015 0.000 1.040 170 G CA 0.490 45.527 45.100 -0.106 0.000 0.942 170 G HN 0.209 nan 8.290 nan 0.000 0.506 171 Y N 0.505 120.789 120.300 -0.027 0.000 2.384 171 Y HA -0.107 4.445 4.550 0.003 0.000 0.289 171 Y C 2.821 178.706 175.900 -0.026 0.000 1.152 171 Y CA 1.450 59.533 58.100 -0.029 0.000 1.258 171 Y CB -0.341 38.108 38.460 -0.019 0.000 0.979 171 Y HN 0.668 nan 8.280 nan 0.000 0.549 172 S N -1.280 114.493 115.700 0.122 0.000 2.524 172 S HA 0.009 4.481 4.470 0.004 0.000 0.216 172 S C 1.877 176.497 174.600 0.033 0.000 0.987 172 S CA 0.496 58.737 58.200 0.067 0.000 0.909 172 S CB -0.554 62.669 63.200 0.038 0.000 0.781 172 S HN 0.218 nan 8.310 nan 0.000 0.521 173 V N 0.337 120.265 119.914 0.023 0.000 2.581 173 V HA 0.120 4.242 4.120 0.004 0.000 0.240 173 V C 2.110 178.206 176.094 0.003 0.000 1.054 173 V CA 1.896 64.198 62.300 0.004 0.000 1.076 173 V CB -1.208 30.609 31.823 -0.009 0.000 0.748 173 V HN 0.437 nan 8.190 nan 0.000 0.474 174 T N 0.827 115.389 114.554 0.014 0.000 2.977 174 T HA 0.034 4.386 4.350 0.004 0.000 0.271 174 T C 1.490 176.182 174.700 -0.013 0.000 1.105 174 T CA 1.501 63.602 62.100 0.002 0.000 1.116 174 T CB -0.539 68.340 68.868 0.018 0.000 0.878 174 T HN 0.752 nan 8.240 nan 0.000 0.509 175 G N 0.293 109.093 108.800 0.000 0.000 2.683 175 G HA2 0.085 4.047 3.960 0.004 0.000 0.213 175 G HA3 0.085 4.047 3.960 0.004 0.000 0.213 175 G C 1.315 176.183 174.900 -0.053 0.000 1.142 175 G CA 0.756 45.834 45.100 -0.037 0.000 0.793 175 G HN 0.561 nan 8.290 nan 0.000 0.534 176 V N -3.396 116.507 119.914 -0.018 0.000 3.432 176 V HA 0.690 4.812 4.120 0.004 0.000 0.298 176 V C 0.991 177.070 176.094 -0.025 0.000 1.464 176 V CA -0.088 62.205 62.300 -0.012 0.000 1.046 176 V CB -0.076 31.769 31.823 0.036 0.000 0.887 176 V HN 0.281 nan 8.190 nan 0.000 0.441 177 A N 2.208 125.010 122.820 -0.031 0.000 2.451 177 A HA 0.557 4.879 4.320 0.004 0.000 0.266 177 A C -0.865 176.696 177.584 -0.039 0.000 1.119 177 A CA -0.687 51.330 52.037 -0.033 0.000 0.786 177 A CB 0.142 19.123 19.000 -0.031 0.000 1.061 177 A HN 0.376 nan 8.150 nan 0.000 0.503 178 P HA -0.189 nan 4.420 nan 0.000 0.218 178 P C 1.536 178.816 177.300 -0.032 0.000 1.148 178 P CA 1.974 65.053 63.100 -0.035 0.000 0.822 178 P CB 0.209 31.888 31.700 -0.035 0.000 0.784 179 A N -0.787 122.014 122.820 -0.032 0.000 2.015 179 A HA -0.101 4.221 4.320 0.004 0.000 0.219 179 A C 2.171 179.734 177.584 -0.035 0.000 1.163 179 A CA 1.396 53.415 52.037 -0.031 0.000 0.646 179 A CB -1.449 17.534 19.000 -0.028 0.000 0.806 179 A HN 0.086 nan 8.150 nan 0.000 0.448 180 V N -0.550 119.340 119.914 -0.039 0.000 2.951 180 V HA -0.090 4.032 4.120 0.004 0.000 0.255 180 V C 2.888 178.954 176.094 -0.046 0.000 1.088 180 V CA 1.203 63.476 62.300 -0.044 0.000 1.109 180 V CB -0.870 30.922 31.823 -0.053 0.000 0.724 180 V HN 0.576 nan 8.190 nan 0.000 0.471 181 A N 0.188 122.978 122.820 -0.049 0.000 1.940 181 A HA -0.217 4.105 4.320 0.004 0.000 0.219 181 A C 2.464 180.028 177.584 -0.034 0.000 1.176 181 A CA 2.473 54.479 52.037 -0.051 0.000 0.631 181 A CB -0.527 18.447 19.000 -0.044 0.000 0.814 181 A HN 0.525 nan 8.150 nan 0.000 0.446 182 S N -0.568 115.114 115.700 -0.031 0.000 2.325 182 S HA 0.054 4.526 4.470 0.004 0.000 0.213 182 S C 2.217 176.806 174.600 -0.018 0.000 1.031 182 S CA 0.892 59.072 58.200 -0.033 0.000 0.984 182 S CB -1.087 62.078 63.200 -0.059 0.000 0.939 182 S HN 0.760 nan 8.310 nan 0.000 0.438 183 G N 1.974 110.763 108.800 -0.018 0.000 2.574 183 G HA2 -0.340 3.622 3.960 0.004 0.000 0.220 183 G HA3 -0.340 3.622 3.960 0.004 0.000 0.220 183 G C 1.380 176.313 174.900 0.054 0.000 1.173 183 G CA 1.275 46.380 45.100 0.008 0.000 0.772 183 G HN 0.404 nan 8.290 nan 0.000 0.585 184 R N 0.080 120.598 120.500 0.030 0.000 2.115 184 R HA 0.048 4.390 4.340 0.004 0.000 0.230 184 R C 2.652 179.023 176.300 0.118 0.000 1.111 184 R CA 0.975 57.117 56.100 0.069 0.000 0.976 184 R CB -0.281 30.015 30.300 -0.006 0.000 0.870 184 R HN 0.491 nan 8.270 nan 0.000 0.445 185 I N 0.143 120.754 120.570 0.068 0.000 2.142 185 I HA -0.269 3.904 4.170 0.004 0.000 0.240 185 I C 2.225 178.412 176.117 0.118 0.000 1.078 185 I CA 1.308 62.662 61.300 0.090 0.000 1.343 185 I CB -0.365 37.671 38.000 0.061 0.000 1.046 185 I HN 0.137 nan 8.210 nan 0.000 0.405 186 S N 0.175 115.930 115.700 0.092 0.000 2.359 186 S HA -0.269 4.203 4.470 0.004 0.000 0.224 186 S C 1.989 176.663 174.600 0.123 0.000 1.035 186 S CA 1.665 59.918 58.200 0.089 0.000 1.018 186 S CB -0.605 62.629 63.200 0.056 0.000 0.876 186 S HN 0.473 nan 8.310 nan 0.000 0.448 187 Y N 2.270 122.594 120.300 0.041 0.000 2.181 187 Y HA -0.191 4.361 4.550 0.003 0.000 0.288 187 Y C 2.591 178.537 175.900 0.077 0.000 1.146 187 Y CA 1.873 60.001 58.100 0.048 0.000 1.164 187 Y CB -0.886 37.596 38.460 0.036 0.000 0.982 187 Y HN 0.146 nan 8.280 nan 0.000 0.515 188 T N 0.581 115.199 114.554 0.107 0.000 2.812 188 T HA -0.115 4.237 4.350 0.004 0.000 0.264 188 T C 1.649 176.415 174.700 0.110 0.000 1.042 188 T CA 1.824 63.984 62.100 0.100 0.000 1.140 188 T CB -0.195 68.848 68.868 0.292 0.000 0.870 188 T HN 0.353 nan 8.240 nan 0.000 0.445 189 M N 0.074 119.769 119.600 0.159 0.000 2.495 189 M HA 0.257 4.739 4.480 0.004 0.000 0.237 189 M C 1.548 177.897 176.300 0.083 0.000 1.131 189 M CA 0.257 55.669 55.300 0.188 0.000 1.032 189 M CB 0.481 33.207 32.600 0.209 0.000 1.513 189 M HN 0.418 nan 8.290 nan 0.000 0.488 190 G N 1.799 110.604 108.800 0.008 0.000 2.143 190 G HA2 -0.229 3.733 3.960 0.004 0.000 0.248 190 G HA3 -0.229 3.733 3.960 0.004 0.000 0.248 190 G C 0.039 174.946 174.900 0.012 0.000 0.991 190 G CA -0.214 44.874 45.100 -0.020 0.000 0.689 190 G HN 0.407 nan 8.290 nan 0.000 0.522 191 L N -0.547 120.695 121.223 0.032 0.000 2.452 191 L HA 0.416 4.758 4.340 0.004 0.000 0.267 191 L C 1.350 178.235 176.870 0.025 0.000 1.188 191 L CA 0.135 54.994 54.840 0.032 0.000 0.821 191 L CB 0.438 42.519 42.059 0.037 0.000 1.102 191 L HN 0.318 nan 8.230 nan 0.000 0.470 192 E N 0.593 120.807 120.200 0.023 0.000 2.606 192 E HA 0.146 4.499 4.350 0.004 0.000 0.224 192 E C 0.763 177.373 176.600 0.016 0.000 0.930 192 E CA -0.156 56.255 56.400 0.019 0.000 1.125 192 E CB 0.913 30.625 29.700 0.020 0.000 1.123 192 E HN 0.799 nan 8.360 nan 0.000 0.522 193 G N 2.942 111.752 108.800 0.018 0.000 2.712 193 G HA2 0.174 4.136 3.960 0.004 0.000 0.258 193 G HA3 0.174 4.136 3.960 0.004 0.000 0.258 193 G C -2.365 172.515 174.900 -0.032 0.000 1.241 193 G CA -0.842 44.267 45.100 0.015 0.000 0.923 193 G HN -0.151 nan 8.290 nan 0.000 0.548 194 P HA 0.105 nan 4.420 nan 0.000 0.263 194 P C -0.488 176.628 177.300 -0.306 0.000 1.175 194 P CA 0.492 63.503 63.100 -0.148 0.000 0.761 194 P CB 0.706 32.328 31.700 -0.131 0.000 0.794 195 S N 2.707 118.259 115.700 -0.246 0.000 2.669 195 S HA 0.564 5.036 4.470 0.004 0.000 0.315 195 S C -0.233 174.223 174.600 -0.239 0.000 1.106 195 S CA -0.453 57.586 58.200 -0.269 0.000 1.107 195 S CB 0.021 63.146 63.200 -0.126 0.000 0.990 195 S HN 0.412 nan 8.310 nan 0.000 0.471 196 I N 1.803 122.176 120.570 -0.328 0.000 2.545 196 I HA 0.692 4.864 4.170 0.004 0.000 0.292 196 I C -0.625 175.451 176.117 -0.068 0.000 1.040 196 I CA 0.010 61.216 61.300 -0.157 0.000 1.068 196 I CB 2.112 40.059 38.000 -0.089 0.000 1.251 196 I HN 0.376 nan 8.210 nan 0.000 0.424 197 S N 5.119 120.805 115.700 -0.023 0.000 2.475 197 S HA 0.738 5.211 4.470 0.004 0.000 0.298 197 S C -0.788 173.829 174.600 0.028 0.000 1.119 197 S CA -0.550 57.654 58.200 0.007 0.000 1.085 197 S CB 1.620 64.815 63.200 -0.008 0.000 1.028 197 S HN 0.506 nan 8.310 nan 0.000 0.489 198 V N 3.048 122.992 119.914 0.050 0.000 2.604 198 V HA 0.472 4.594 4.120 0.004 0.000 0.305 198 V C -0.905 175.211 176.094 0.037 0.000 1.043 198 V CA -0.698 61.636 62.300 0.056 0.000 0.888 198 V CB 2.114 33.993 31.823 0.094 0.000 0.995 198 V HN 0.810 nan 8.190 nan 0.000 0.429 199 D N 2.491 122.905 120.400 0.023 0.000 2.469 199 D HA 0.421 5.063 4.640 0.004 0.000 0.251 199 D C 0.018 176.328 176.300 0.017 0.000 1.173 199 D CA -0.119 53.886 54.000 0.008 0.000 0.882 199 D CB 1.916 42.705 40.800 -0.019 0.000 1.129 199 D HN 0.471 nan 8.370 nan 0.000 0.549 200 T N 1.838 116.409 114.554 0.029 0.000 3.337 200 T HA 0.578 4.930 4.350 0.004 0.000 0.299 200 T C 0.435 175.162 174.700 0.044 0.000 0.998 200 T CA 0.502 62.623 62.100 0.035 0.000 0.948 200 T CB -0.046 68.847 68.868 0.041 0.000 1.170 200 T HN 0.720 nan 8.240 nan 0.000 0.508 201 A N 0.634 123.474 122.820 0.034 0.000 5.699 201 A HA -0.272 4.050 4.320 0.004 0.000 0.280 201 A C 1.889 179.520 177.584 0.079 0.000 2.071 201 A CA 1.046 53.109 52.037 0.044 0.000 0.714 201 A CB -1.960 17.077 19.000 0.061 0.000 1.162 201 A HN 0.881 nan 8.150 nan 0.000 0.363 202 C N 0.418 119.797 119.300 0.132 0.000 2.421 202 C HA 0.235 4.697 4.460 0.004 0.000 0.296 202 C C 2.433 177.509 174.990 0.143 0.000 1.470 202 C CA 1.292 60.449 59.018 0.231 0.000 1.779 202 C CB -2.309 25.692 27.740 0.435 0.000 1.715 202 C HN 1.597 nan 8.230 nan 0.000 0.564 203 S N 0.007 115.751 115.700 0.073 0.000 2.557 203 S HA 0.073 4.545 4.470 0.004 0.000 0.223 203 S C 1.360 175.994 174.600 0.056 0.000 0.969 203 S CA 0.491 58.715 58.200 0.039 0.000 0.927 203 S CB -0.383 62.829 63.200 0.020 0.000 0.806 203 S HN 0.502 nan 8.310 nan 0.000 0.489 204 S N 3.118 118.858 115.700 0.067 0.000 2.381 204 S HA -0.191 4.281 4.470 0.004 0.000 0.230 204 S C 2.266 176.911 174.600 0.075 0.000 1.052 204 S CA 2.059 60.298 58.200 0.066 0.000 1.068 204 S CB -0.630 62.606 63.200 0.060 0.000 0.918 204 S HN 0.925 nan 8.310 nan 0.000 0.448 205 S N 0.435 116.181 115.700 0.077 0.000 2.461 205 S HA 0.116 4.588 4.470 0.004 0.000 0.228 205 S C 1.592 176.235 174.600 0.073 0.000 1.005 205 S CA 0.356 58.604 58.200 0.080 0.000 0.942 205 S CB -0.211 63.037 63.200 0.080 0.000 0.776 205 S HN 0.231 nan 8.310 nan 0.000 0.514 206 L N 1.341 122.601 121.223 0.061 0.000 2.209 206 L HA 0.251 4.594 4.340 0.004 0.000 0.207 206 L C 2.514 179.429 176.870 0.075 0.000 1.094 206 L CA 0.735 55.609 54.840 0.056 0.000 0.790 206 L CB -0.661 41.418 42.059 0.032 0.000 0.932 206 L HN 0.179 nan 8.230 nan 0.000 0.447 207 V N -0.251 119.704 119.914 0.068 0.000 2.332 207 V HA -0.318 3.804 4.120 0.004 0.000 0.248 207 V C 2.706 178.866 176.094 0.109 0.000 1.055 207 V CA 1.646 63.992 62.300 0.077 0.000 1.038 207 V CB -1.165 30.695 31.823 0.062 0.000 0.651 207 V HN 0.494 nan 8.190 nan 0.000 0.450 208 A N 0.146 123.030 122.820 0.108 0.000 1.883 208 A HA -0.196 4.126 4.320 0.004 0.000 0.217 208 A C 2.248 179.837 177.584 0.009 0.000 1.186 208 A CA 1.996 54.111 52.037 0.130 0.000 0.624 208 A CB -0.684 18.418 19.000 0.170 0.000 0.822 208 A HN 0.416 nan 8.150 nan 0.000 0.444 209 L N -0.300 120.939 121.223 0.025 0.000 2.043 209 L HA -0.224 4.118 4.340 0.004 0.000 0.212 209 L C 2.261 179.090 176.870 -0.068 0.000 1.075 209 L CA 2.886 57.711 54.840 -0.025 0.000 0.752 209 L CB -1.441 40.632 42.059 0.024 0.000 0.891 209 L HN 0.693 nan 8.230 nan 0.000 0.432 210 H N -0.111 118.910 119.070 -0.082 0.000 2.389 210 H HA -0.092 4.467 4.556 0.005 0.000 0.299 210 H C 2.315 177.565 175.328 -0.130 0.000 1.081 210 H CA 1.618 57.623 56.048 -0.073 0.000 1.345 210 H CB 0.297 30.048 29.762 -0.018 0.000 1.393 210 H HN 0.402 nan 8.280 nan 0.000 0.520 211 L N 0.014 121.192 121.223 -0.076 0.000 2.109 211 L HA -0.066 4.276 4.340 0.004 0.000 0.207 211 L C 3.021 179.525 176.870 -0.609 0.000 1.086 211 L CA 0.851 55.572 54.840 -0.198 0.000 0.760 211 L CB -0.500 41.547 42.059 -0.020 0.000 0.910 211 L HN 0.234 nan 8.230 nan 0.000 0.437 212 A N -0.226 122.018 122.820 -0.959 0.000 1.929 212 A HA -0.099 4.223 4.320 0.004 0.000 0.216 212 A C 2.343 179.643 177.584 -0.473 0.000 1.176 212 A CA 1.214 52.547 52.037 -1.174 0.000 0.628 212 A CB -0.652 17.807 19.000 -0.901 0.000 0.816 212 A HN 0.159 nan 8.150 nan 0.000 0.444 213 V N 0.341 120.049 119.914 -0.343 0.000 2.332 213 V HA -0.242 3.880 4.120 0.004 0.000 0.248 213 V C 2.631 178.605 176.094 -0.199 0.000 1.055 213 V CA 2.236 64.400 62.300 -0.226 0.000 1.038 213 V CB -0.648 31.049 31.823 -0.211 0.000 0.651 213 V HN 0.515 nan 8.190 nan 0.000 0.450 214 E N -0.214 119.843 120.200 -0.239 0.000 2.047 214 E HA -0.181 4.171 4.350 0.004 0.000 0.191 214 E C 2.517 179.066 176.600 -0.085 0.000 0.987 214 E CA 1.561 57.871 56.400 -0.150 0.000 0.799 214 E CB -0.636 28.985 29.700 -0.130 0.000 0.752 214 E HN 0.514 nan 8.360 nan 0.000 0.449 215 S N 0.364 116.009 115.700 -0.092 0.000 2.374 215 S HA -0.152 4.320 4.470 0.004 0.000 0.227 215 S C 2.087 176.694 174.600 0.011 0.000 1.037 215 S CA 1.023 59.233 58.200 0.016 0.000 1.024 215 S CB -0.157 63.121 63.200 0.131 0.000 0.861 215 S HN 0.145 nan 8.310 nan 0.000 0.456 216 L N 0.226 121.428 121.223 -0.036 0.000 2.044 216 L HA 0.045 4.387 4.340 0.004 0.000 0.205 216 L C 2.733 179.593 176.870 -0.017 0.000 1.075 216 L CA 1.213 56.044 54.840 -0.015 0.000 0.747 216 L CB -0.456 41.584 42.059 -0.032 0.000 0.903 216 L HN 0.191 nan 8.230 nan 0.000 0.435 217 R N 1.171 121.647 120.500 -0.040 0.000 2.174 217 R HA -0.239 4.103 4.340 0.004 0.000 0.253 217 R C 1.877 178.168 176.300 -0.014 0.000 1.165 217 R CA 1.903 57.983 56.100 -0.033 0.000 0.984 217 R CB -0.234 30.036 30.300 -0.051 0.000 0.873 217 R HN 0.429 nan 8.270 nan 0.000 0.456 218 K N -2.318 118.078 120.400 -0.007 0.000 2.387 218 K HA 0.215 4.537 4.320 0.004 0.000 0.203 218 K C 0.677 177.286 176.600 0.016 0.000 1.030 218 K CA 0.592 56.882 56.287 0.005 0.000 1.099 218 K CB 0.651 33.156 32.500 0.008 0.000 0.863 218 K HN 0.130 nan 8.250 nan 0.000 0.529 219 G N 1.939 110.750 108.800 0.019 0.000 2.179 219 G HA2 -0.386 3.576 3.960 0.004 0.000 0.260 219 G HA3 -0.386 3.576 3.960 0.004 0.000 0.260 219 G C 0.659 175.581 174.900 0.036 0.000 0.977 219 G CA 0.579 45.694 45.100 0.025 0.000 0.641 219 G HN 0.606 nan 8.290 nan 0.000 0.533 220 E N 0.006 120.233 120.200 0.045 0.000 2.274 220 E HA 0.179 4.531 4.350 0.004 0.000 0.194 220 E C 0.682 177.328 176.600 0.077 0.000 0.996 220 E CA 1.208 57.644 56.400 0.060 0.000 0.840 220 E CB 0.019 29.761 29.700 0.070 0.000 0.772 220 E HN 0.402 nan 8.360 nan 0.000 0.491 221 S N -0.652 115.100 115.700 0.087 0.000 2.536 221 S HA 0.178 4.650 4.470 0.004 0.000 0.287 221 S C 0.196 174.842 174.600 0.077 0.000 1.101 221 S CA -0.354 57.909 58.200 0.105 0.000 0.950 221 S CB 1.920 65.227 63.200 0.178 0.000 1.056 221 S HN 0.289 nan 8.310 nan 0.000 0.481 222 S N 2.100 117.842 115.700 0.070 0.000 2.441 222 S HA 0.345 4.818 4.470 0.004 0.000 0.224 222 S C 0.475 175.115 174.600 0.067 0.000 1.043 222 S CA 0.106 58.341 58.200 0.059 0.000 0.948 222 S CB -0.064 63.167 63.200 0.052 0.000 0.810 222 S HN 0.619 nan 8.310 nan 0.000 0.504 223 M N 0.596 120.242 119.600 0.077 0.000 2.658 223 M HA 0.733 5.215 4.480 0.004 0.000 0.295 223 M C -1.469 174.895 176.300 0.106 0.000 1.248 223 M CA -0.730 54.616 55.300 0.078 0.000 0.843 223 M CB 2.463 35.102 32.600 0.063 0.000 1.749 223 M HN 0.224 nan 8.290 nan 0.000 0.464 224 A N 1.248 124.135 122.820 0.111 0.000 2.422 224 A HA 0.764 5.086 4.320 0.004 0.000 0.302 224 A C -1.240 176.434 177.584 0.150 0.000 1.041 224 A CA -0.657 51.491 52.037 0.185 0.000 0.708 224 A CB 1.423 20.576 19.000 0.254 0.000 1.257 224 A HN 0.546 nan 8.150 nan 0.000 0.414 225 V N 2.284 122.299 119.914 0.169 0.000 2.432 225 V HA 0.532 4.654 4.120 0.004 0.000 0.275 225 V C -0.378 175.828 176.094 0.187 0.000 1.043 225 V CA -0.196 62.184 62.300 0.134 0.000 0.925 225 V CB 1.209 33.093 31.823 0.102 0.000 0.985 225 V HN 0.661 nan 8.190 nan 0.000 0.466 226 V N 4.108 124.111 119.914 0.147 0.000 2.668 226 V HA 0.997 5.119 4.120 0.004 0.000 0.304 226 V C 0.350 176.514 176.094 0.117 0.000 1.071 226 V CA 0.355 62.752 62.300 0.162 0.000 0.894 226 V CB 1.336 33.227 31.823 0.113 0.000 1.008 226 V HN 1.128 nan 8.190 nan 0.000 0.425 227 G N 2.655 111.527 108.800 0.120 0.000 2.392 227 G HA2 0.701 4.663 3.960 0.004 0.000 0.260 227 G HA3 0.701 4.663 3.960 0.004 0.000 0.260 227 G C -0.573 174.379 174.900 0.087 0.000 1.226 227 G CA 0.234 45.390 45.100 0.093 0.000 0.913 227 G HN 1.252 nan 8.290 nan 0.000 0.483 228 G N -1.393 107.451 108.800 0.075 0.000 2.704 228 G HA2 0.846 4.809 3.960 0.004 0.000 0.293 228 G HA3 0.846 4.809 3.960 0.004 0.000 0.293 228 G C -1.032 173.902 174.900 0.058 0.000 1.421 228 G CA 0.580 45.721 45.100 0.068 0.000 0.870 228 G HN 1.804 nan 8.290 nan 0.000 0.492 229 A N -0.410 122.442 122.820 0.053 0.000 2.355 229 A HA 0.968 5.290 4.320 0.004 0.000 0.317 229 A C -0.171 177.453 177.584 0.066 0.000 1.094 229 A CA -0.173 51.889 52.037 0.042 0.000 0.764 229 A CB 1.748 20.762 19.000 0.022 0.000 1.230 229 A HN 2.269 nan 8.150 nan 0.000 0.448 230 A N 2.025 124.868 122.820 0.039 0.000 2.569 230 A HA 0.605 4.928 4.320 0.004 0.000 0.282 230 A C -1.249 176.256 177.584 -0.132 0.000 1.165 230 A CA -0.282 51.768 52.037 0.023 0.000 0.747 230 A CB 0.831 19.849 19.000 0.030 0.000 1.215 230 A HN 1.179 nan 8.150 nan 0.000 0.431 231 V N 3.672 123.490 119.914 -0.160 0.000 2.444 231 V HA 0.359 4.481 4.120 0.004 0.000 0.294 231 V C 0.070 175.988 176.094 -0.293 0.000 1.022 231 V CA -0.245 61.966 62.300 -0.148 0.000 0.850 231 V CB 1.605 33.418 31.823 -0.016 0.000 0.992 231 V HN 0.941 nan 8.190 nan 0.000 0.426 232 M N 3.845 123.254 119.600 -0.317 0.000 2.266 232 M HA 0.267 4.750 4.480 0.004 0.000 0.340 232 M C 1.374 177.828 176.300 0.256 0.000 1.486 232 M CA -0.058 55.060 55.300 -0.302 0.000 1.209 232 M CB 1.135 33.652 32.600 -0.139 0.000 1.714 232 M HN 0.853 nan 8.290 nan 0.000 0.459 233 A N 2.601 125.604 122.820 0.305 0.000 1.902 233 A HA -0.063 4.259 4.320 0.004 0.000 0.217 233 A C 1.206 179.159 177.584 0.615 0.000 1.181 233 A CA 1.927 54.264 52.037 0.501 0.000 0.623 233 A CB -0.423 18.801 19.000 0.373 0.000 0.818 233 A HN 0.724 nan 8.150 nan 0.000 0.443 234 T N -4.940 109.777 114.554 0.273 0.000 2.926 234 T HA 0.564 4.916 4.350 0.004 0.000 0.289 234 T C -2.509 171.837 174.700 -0.589 0.000 1.054 234 T CA -1.471 60.514 62.100 -0.192 0.000 1.015 234 T CB 2.118 70.897 68.868 -0.148 0.000 1.167 234 T HN 0.003 nan 8.240 nan 0.000 0.526 235 P HA 0.153 nan 4.420 nan 0.000 0.253 235 P C 1.641 178.831 177.300 -0.183 0.000 1.260 235 P CA 0.164 62.839 63.100 -0.708 0.000 0.800 235 P CB -0.672 30.518 31.700 -0.851 0.000 1.162 236 G N 2.295 110.984 108.800 -0.185 0.000 2.783 236 G HA2 -0.395 3.568 3.960 0.004 0.000 0.225 236 G HA3 -0.395 3.568 3.960 0.004 0.000 0.225 236 G C 1.623 176.492 174.900 -0.052 0.000 1.191 236 G CA 2.347 47.401 45.100 -0.078 0.000 0.774 236 G HN 0.311 nan 8.290 nan 0.000 0.632 237 V N -2.312 117.516 119.914 -0.143 0.000 2.568 237 V HA -0.066 4.056 4.120 0.004 0.000 0.253 237 V C 2.497 178.475 176.094 -0.194 0.000 1.072 237 V CA 2.195 64.336 62.300 -0.265 0.000 1.084 237 V CB -0.854 30.527 31.823 -0.737 0.000 0.676 237 V HN 0.224 nan 8.190 nan 0.000 0.469 238 F N 0.553 120.529 119.950 0.044 0.000 2.206 238 F HA 0.060 4.589 4.527 0.004 0.000 0.298 238 F C 2.375 178.263 175.800 0.146 0.000 1.090 238 F CA 1.559 59.659 58.000 0.166 0.000 1.323 238 F CB -0.749 38.403 39.000 0.252 0.000 1.028 238 F HN 0.018 nan 8.300 nan 0.000 0.492 239 V N -0.157 119.901 119.914 0.240 0.000 2.302 239 V HA -0.214 3.908 4.120 0.004 0.000 0.243 239 V C 1.995 178.161 176.094 0.120 0.000 1.036 239 V CA 1.802 64.194 62.300 0.154 0.000 1.020 239 V CB -0.624 31.242 31.823 0.073 0.000 0.657 239 V HN 0.159 nan 8.190 nan 0.000 0.453 240 D N 0.330 120.777 120.400 0.078 0.000 2.126 240 D HA -0.209 4.433 4.640 0.004 0.000 0.190 240 D C 1.924 178.213 176.300 -0.018 0.000 1.001 240 D CA 1.778 55.775 54.000 -0.006 0.000 0.841 240 D CB -0.418 40.341 40.800 -0.068 0.000 0.949 240 D HN 0.468 nan 8.370 nan 0.000 0.446 241 F N 0.946 120.937 119.950 0.068 0.000 2.558 241 F HA -0.001 4.528 4.527 0.003 0.000 0.298 241 F C 2.599 178.498 175.800 0.165 0.000 1.119 241 F CA 0.357 58.453 58.000 0.160 0.000 1.451 241 F CB -0.067 39.098 39.000 0.275 0.000 1.091 241 F HN -0.170 nan 8.300 nan 0.000 0.563 242 S N -0.210 115.632 115.700 0.237 0.000 2.368 242 S HA -0.148 4.324 4.470 0.004 0.000 0.225 242 S C 2.160 176.942 174.600 0.303 0.000 1.030 242 S CA 0.704 58.984 58.200 0.133 0.000 0.999 242 S CB -0.176 63.037 63.200 0.022 0.000 0.844 242 S HN 0.192 nan 8.310 nan 0.000 0.459 243 R N 1.571 122.182 120.500 0.186 0.000 2.133 243 R HA -0.070 4.273 4.340 0.004 0.000 0.247 243 R C 1.885 178.271 176.300 0.144 0.000 1.151 243 R CA 1.353 57.535 56.100 0.137 0.000 0.971 243 R CB -0.702 29.631 30.300 0.054 0.000 0.866 243 R HN 0.597 nan 8.270 nan 0.000 0.447 244 Q N -0.103 119.786 119.800 0.149 0.000 2.360 244 Q HA 0.141 4.483 4.340 0.004 0.000 0.202 244 Q C -0.218 175.916 176.000 0.224 0.000 0.915 244 Q CA -0.186 55.701 55.803 0.141 0.000 0.943 244 Q CB 0.337 29.125 28.738 0.082 0.000 1.064 244 Q HN 0.198 nan 8.270 nan 0.000 0.511 245 R N -0.981 119.722 120.500 0.339 0.000 3.516 245 R HA -0.247 4.095 4.340 0.004 0.000 0.271 245 R C 0.626 177.154 176.300 0.379 0.000 1.098 245 R CA 0.382 56.724 56.100 0.403 0.000 0.732 245 R CB -2.045 28.372 30.300 0.195 0.000 1.152 245 R HN 0.314 nan 8.270 nan 0.000 0.455 246 A N 0.144 123.228 122.820 0.441 0.000 2.195 246 A HA 0.199 4.521 4.320 0.004 0.000 0.210 246 A C 0.855 178.676 177.584 0.395 0.000 1.165 246 A CA 0.189 52.500 52.037 0.457 0.000 0.806 246 A CB 0.411 19.891 19.000 0.799 0.000 0.847 246 A HN 0.215 nan 8.150 nan 0.000 0.482 247 L N 0.797 122.257 121.223 0.396 0.000 2.292 247 L HA 0.532 4.874 4.340 0.004 0.000 0.284 247 L C 0.776 177.808 176.870 0.270 0.000 1.065 247 L CA -0.695 54.304 54.840 0.265 0.000 0.806 247 L CB 1.290 43.433 42.059 0.140 0.000 1.175 247 L HN 0.220 nan 8.230 nan 0.000 0.431 248 A N 2.703 125.600 122.820 0.127 0.000 2.598 248 A HA 0.190 4.512 4.320 0.004 0.000 0.239 248 A C 1.357 179.056 177.584 0.191 0.000 1.032 248 A CA 0.658 52.755 52.037 0.099 0.000 0.760 248 A CB 0.187 19.188 19.000 0.002 0.000 0.946 248 A HN 1.007 nan 8.150 nan 0.000 0.512 249 A N 2.052 124.981 122.820 0.182 0.000 1.858 249 A HA -0.148 4.174 4.320 0.004 0.000 0.216 249 A C 1.780 179.420 177.584 0.095 0.000 1.190 249 A CA 1.895 54.043 52.037 0.186 0.000 0.617 249 A CB -0.591 18.465 19.000 0.094 0.000 0.827 249 A HN 0.847 nan 8.150 nan 0.000 0.443 250 D N -1.071 119.348 120.400 0.031 0.000 2.239 250 D HA -0.103 4.539 4.640 0.004 0.000 0.202 250 D C 1.622 177.922 176.300 -0.000 0.000 0.993 250 D CA 1.803 55.797 54.000 -0.009 0.000 0.874 250 D CB -0.359 40.404 40.800 -0.061 0.000 0.922 250 D HN 0.691 nan 8.370 nan 0.000 0.464 251 G N 0.465 109.282 108.800 0.028 0.000 2.184 251 G HA2 -0.362 3.600 3.960 0.004 0.000 0.264 251 G HA3 -0.362 3.600 3.960 0.004 0.000 0.264 251 G C 0.414 175.302 174.900 -0.019 0.000 0.975 251 G CA 0.433 45.557 45.100 0.039 0.000 0.642 251 G HN 0.359 nan 8.290 nan 0.000 0.536 252 R N 0.549 120.993 120.500 -0.092 0.000 2.410 252 R HA 0.509 4.851 4.340 0.004 0.000 0.288 252 R C 0.009 176.197 176.300 -0.186 0.000 1.051 252 R CA 0.064 56.049 56.100 -0.192 0.000 1.021 252 R CB 0.914 30.945 30.300 -0.449 0.000 1.032 252 R HN 0.174 nan 8.270 nan 0.000 0.481 253 S N 3.108 118.724 115.700 -0.141 0.000 2.642 253 S HA 0.120 4.593 4.470 0.004 0.000 0.309 253 S C -0.401 174.143 174.600 -0.093 0.000 1.125 253 S CA -0.649 57.477 58.200 -0.123 0.000 1.055 253 S CB 0.271 63.414 63.200 -0.095 0.000 1.157 253 S HN 0.364 nan 8.310 nan 0.000 0.513 254 K N 2.713 123.031 120.400 -0.137 0.000 2.111 254 K HA 0.311 4.633 4.320 0.004 0.000 0.249 254 K C 0.282 176.836 176.600 -0.078 0.000 1.157 254 K CA -0.177 56.086 56.287 -0.039 0.000 1.048 254 K CB 0.162 32.622 32.500 -0.067 0.000 1.498 254 K HN 0.609 nan 8.250 nan 0.000 0.344 255 A N 2.394 125.144 122.820 -0.117 0.000 2.491 255 A HA 0.188 4.510 4.320 0.004 0.000 0.261 255 A C 0.144 177.571 177.584 -0.261 0.000 1.101 255 A CA -0.187 51.603 52.037 -0.412 0.000 0.772 255 A CB -0.857 17.852 19.000 -0.484 0.000 1.043 255 A HN 0.788 nan 8.150 nan 0.000 0.501 256 F N -0.022 119.980 119.950 0.088 0.000 3.093 256 F HA -0.254 4.275 4.527 0.003 0.000 0.283 256 F C 1.146 176.975 175.800 0.049 0.000 0.848 256 F CA 0.567 58.648 58.000 0.135 0.000 1.059 256 F CB -1.779 37.335 39.000 0.190 0.000 1.191 256 F HN 0.796 nan 8.300 nan 0.000 0.514 257 G N -0.511 108.358 108.800 0.115 0.000 2.462 257 G HA2 0.633 4.595 3.960 0.004 0.000 0.319 257 G HA3 0.633 4.595 3.960 0.004 0.000 0.319 257 G C 0.708 175.660 174.900 0.086 0.000 1.171 257 G CA -0.349 44.796 45.100 0.076 0.000 0.920 257 G HN 0.418 nan 8.290 nan 0.000 0.499 258 A N 0.148 123.007 122.820 0.065 0.000 1.972 258 A HA 0.096 4.418 4.320 0.004 0.000 0.219 258 A C 2.321 179.940 177.584 0.058 0.000 1.169 258 A CA 2.065 54.143 52.037 0.068 0.000 0.635 258 A CB -0.510 18.513 19.000 0.037 0.000 0.810 258 A HN 1.077 nan 8.150 nan 0.000 0.446 259 G N -0.780 108.041 108.800 0.035 0.000 2.920 259 G HA2 0.360 4.322 3.960 0.004 0.000 0.208 259 G HA3 0.360 4.322 3.960 0.004 0.000 0.208 259 G C 0.677 175.573 174.900 -0.008 0.000 1.159 259 G CA 0.436 45.543 45.100 0.012 0.000 0.784 259 G HN 0.831 nan 8.290 nan 0.000 0.535 260 A N 0.661 123.479 122.820 -0.003 0.000 2.572 260 A HA 0.195 4.517 4.320 0.004 0.000 0.256 260 A C 0.974 178.526 177.584 -0.053 0.000 1.041 260 A CA 0.672 52.679 52.037 -0.049 0.000 0.790 260 A CB 0.160 19.127 19.000 -0.056 0.000 0.947 260 A HN 0.192 nan 8.150 nan 0.000 0.518 261 D N 0.977 121.331 120.400 -0.077 0.000 2.454 261 D HA 0.396 5.038 4.640 0.004 0.000 0.214 261 D C 0.770 177.036 176.300 -0.057 0.000 1.088 261 D CA 1.580 55.553 54.000 -0.047 0.000 0.855 261 D CB 0.590 41.370 40.800 -0.033 0.000 1.025 261 D HN 1.224 nan 8.370 nan 0.000 0.502 262 G N -0.608 108.098 108.800 -0.156 0.000 2.354 262 G HA2 -0.001 3.961 3.960 0.004 0.000 0.582 262 G HA3 -0.001 3.961 3.960 0.004 0.000 0.582 262 G C -0.957 173.760 174.900 -0.305 0.000 1.316 262 G CA -0.989 43.965 45.100 -0.242 0.000 0.995 262 G HN 0.018 nan 8.290 nan 0.000 0.573 263 F N 0.515 120.355 119.950 -0.182 0.000 2.410 263 F HA 0.530 5.059 4.527 0.003 0.000 0.334 263 F C 1.371 176.923 175.800 -0.413 0.000 1.134 263 F CA 0.796 58.546 58.000 -0.416 0.000 1.227 263 F CB 1.414 39.897 39.000 -0.862 0.000 1.194 263 F HN 0.679 nan 8.300 nan 0.000 0.571 264 G N 2.181 110.863 108.800 -0.197 0.000 2.574 264 G HA2 0.569 4.531 3.960 0.004 0.000 0.306 264 G HA3 0.569 4.531 3.960 0.004 0.000 0.306 264 G C -1.537 173.224 174.900 -0.232 0.000 1.334 264 G CA -0.423 44.586 45.100 -0.152 0.000 0.954 264 G HN 0.315 nan 8.290 nan 0.000 0.500 265 F N 1.380 121.362 119.950 0.054 0.000 2.385 265 F HA 0.672 5.201 4.527 0.003 0.000 0.336 265 F C 0.911 176.630 175.800 -0.134 0.000 1.100 265 F CA -0.144 57.773 58.000 -0.138 0.000 1.116 265 F CB 2.149 40.897 39.000 -0.420 0.000 1.166 265 F HN 0.321 nan 8.300 nan 0.000 0.511 266 S N 0.453 116.164 115.700 0.019 0.000 2.685 266 S HA 0.506 4.978 4.470 0.004 0.000 0.282 266 S C -1.166 173.359 174.600 -0.125 0.000 1.159 266 S CA -1.103 57.028 58.200 -0.115 0.000 0.833 266 S CB 2.160 65.328 63.200 -0.053 0.000 1.151 266 S HN 0.507 nan 8.310 nan 0.000 0.485 267 E N -0.194 119.933 120.200 -0.120 0.000 2.207 267 E HA 0.676 5.028 4.350 0.004 0.000 0.270 267 E C -0.395 176.186 176.600 -0.033 0.000 0.927 267 E CA -0.846 55.499 56.400 -0.090 0.000 0.799 267 E CB 1.962 31.637 29.700 -0.041 0.000 1.172 267 E HN 0.716 nan 8.360 nan 0.000 0.404 268 G N 0.167 108.957 108.800 -0.017 0.000 2.720 268 G HA2 0.466 4.428 3.960 0.004 0.000 0.295 268 G HA3 0.466 4.428 3.960 0.004 0.000 0.295 268 G C -1.520 173.394 174.900 0.024 0.000 1.437 268 G CA -0.416 44.694 45.100 0.016 0.000 0.886 268 G HN 0.302 nan 8.290 nan 0.000 0.509 269 V N 1.522 121.457 119.914 0.035 0.000 2.385 269 V HA 0.529 4.651 4.120 0.004 0.000 0.277 269 V C -0.195 175.931 176.094 0.054 0.000 1.012 269 V CA -0.510 61.814 62.300 0.039 0.000 0.832 269 V CB 1.111 32.951 31.823 0.027 0.000 1.028 269 V HN 0.795 nan 8.190 nan 0.000 0.436 270 T N 6.147 120.737 114.554 0.059 0.000 2.856 270 T HA 0.806 5.158 4.350 0.004 0.000 0.283 270 T C -0.590 174.152 174.700 0.070 0.000 1.008 270 T CA -0.411 61.729 62.100 0.067 0.000 0.997 270 T CB 1.618 70.526 68.868 0.068 0.000 0.992 270 T HN 0.315 nan 8.240 nan 0.000 0.454 271 L N 2.297 123.563 121.223 0.072 0.000 2.445 271 L HA 0.788 5.131 4.340 0.004 0.000 0.262 271 L C -0.987 175.922 176.870 0.065 0.000 0.974 271 L CA -1.095 53.789 54.840 0.073 0.000 0.822 271 L CB 2.310 44.417 42.059 0.079 0.000 1.339 271 L HN 0.345 nan 8.230 nan 0.000 0.409 272 V N 2.348 122.299 119.914 0.062 0.000 3.001 272 V HA 0.536 4.658 4.120 0.004 0.000 0.314 272 V C -1.133 174.989 176.094 0.047 0.000 1.099 272 V CA -0.698 61.631 62.300 0.047 0.000 0.989 272 V CB 3.041 34.889 31.823 0.041 0.000 1.040 272 V HN 0.473 nan 8.190 nan 0.000 0.434 273 L N 3.947 125.188 121.223 0.029 0.000 2.319 273 L HA 0.625 4.967 4.340 0.004 0.000 0.281 273 L C -0.976 175.906 176.870 0.019 0.000 1.005 273 L CA 0.157 55.012 54.840 0.024 0.000 0.828 273 L CB 1.138 43.195 42.059 -0.003 0.000 1.227 273 L HN 0.483 nan 8.230 nan 0.000 0.415 274 L N 4.317 125.559 121.223 0.031 0.000 2.334 274 L HA 0.686 5.028 4.340 0.004 0.000 0.273 274 L C -0.488 176.402 176.870 0.033 0.000 1.013 274 L CA -0.644 54.210 54.840 0.022 0.000 0.816 274 L CB 2.027 44.089 42.059 0.006 0.000 1.278 274 L HN 0.644 nan 8.230 nan 0.000 0.431 275 E N 2.060 122.278 120.200 0.031 0.000 2.354 275 E HA 0.251 4.603 4.350 0.004 0.000 0.283 275 E C -1.193 175.424 176.600 0.028 0.000 0.938 275 E CA -0.865 55.562 56.400 0.045 0.000 0.777 275 E CB 1.870 31.621 29.700 0.085 0.000 1.222 275 E HN 0.552 nan 8.360 nan 0.000 0.423 276 R N 3.194 123.706 120.500 0.020 0.000 2.638 276 R HA -0.001 4.341 4.340 0.004 0.000 0.268 276 R C 1.193 177.500 176.300 0.011 0.000 1.006 276 R CA -0.297 55.808 56.100 0.009 0.000 1.088 276 R CB 0.301 30.603 30.300 0.003 0.000 0.950 276 R HN 0.534 nan 8.270 nan 0.000 0.419 277 L N 3.265 124.490 121.223 0.004 0.000 2.013 277 L HA -0.279 4.063 4.340 0.004 0.000 0.212 277 L C 2.503 179.372 176.870 -0.002 0.000 1.073 277 L CA 2.647 57.489 54.840 0.003 0.000 0.753 277 L CB -0.835 41.223 42.059 -0.003 0.000 0.890 277 L HN 0.944 nan 8.230 nan 0.000 0.432 278 S N -1.421 114.276 115.700 -0.005 0.000 2.407 278 S HA -0.230 4.242 4.470 0.004 0.000 0.235 278 S C 1.800 176.390 174.600 -0.016 0.000 1.036 278 S CA 1.568 59.761 58.200 -0.010 0.000 1.013 278 S CB -0.612 62.583 63.200 -0.008 0.000 0.820 278 S HN 0.664 nan 8.310 nan 0.000 0.476 279 E N 1.204 121.398 120.200 -0.010 0.000 2.140 279 E HA 0.228 4.580 4.350 0.004 0.000 0.191 279 E C 2.561 179.136 176.600 -0.043 0.000 0.973 279 E CA 0.852 57.242 56.400 -0.017 0.000 0.829 279 E CB -0.674 29.031 29.700 0.008 0.000 0.781 279 E HN 0.629 nan 8.360 nan 0.000 0.466 280 A N 2.630 125.447 122.820 -0.005 0.000 1.873 280 A HA -0.243 4.079 4.320 0.004 0.000 0.218 280 A C 2.134 179.670 177.584 -0.080 0.000 1.193 280 A CA 1.502 53.535 52.037 -0.008 0.000 0.629 280 A CB -0.377 18.659 19.000 0.060 0.000 0.826 280 A HN 0.047 nan 8.150 nan 0.000 0.447 281 R N -0.673 119.798 120.500 -0.048 0.000 2.113 281 R HA -0.172 4.170 4.340 0.004 0.000 0.231 281 R C 2.302 178.554 176.300 -0.079 0.000 1.129 281 R CA 1.756 57.825 56.100 -0.052 0.000 0.915 281 R CB -1.181 29.099 30.300 -0.033 0.000 0.837 281 R HN 0.682 nan 8.270 nan 0.000 0.430 282 R N 0.878 121.334 120.500 -0.074 0.000 2.174 282 R HA -0.170 4.172 4.340 0.004 0.000 0.253 282 R C 1.375 177.600 176.300 -0.125 0.000 1.165 282 R CA 2.157 58.210 56.100 -0.079 0.000 0.984 282 R CB -0.203 30.063 30.300 -0.057 0.000 0.873 282 R HN 0.380 nan 8.270 nan 0.000 0.456 283 N N -1.478 117.088 118.700 -0.223 0.000 2.392 283 N HA 0.083 4.825 4.740 0.004 0.000 0.177 283 N C 0.406 175.695 175.510 -0.368 0.000 1.066 283 N CA 0.550 53.383 53.050 -0.362 0.000 0.895 283 N CB 0.867 38.943 38.487 -0.685 0.000 0.988 283 N HN 0.378 nan 8.380 nan 0.000 0.457 284 G N 1.118 109.764 108.800 -0.256 0.000 2.256 284 G HA2 -0.267 3.695 3.960 0.004 0.000 0.272 284 G HA3 -0.267 3.695 3.960 0.004 0.000 0.272 284 G C -0.785 174.088 174.900 -0.044 0.000 1.076 284 G CA -0.203 44.825 45.100 -0.120 0.000 0.882 284 G HN 0.545 nan 8.290 nan 0.000 0.497 285 H N -0.234 118.831 119.070 -0.008 0.000 2.527 285 H HA 0.438 4.996 4.556 0.004 0.000 0.321 285 H C 0.573 175.891 175.328 -0.017 0.000 1.087 285 H CA -0.484 55.557 56.048 -0.011 0.000 1.337 285 H CB 1.205 30.961 29.762 -0.010 0.000 1.440 285 H HN 0.454 nan 8.280 nan 0.000 0.490 286 E N 2.707 122.970 120.200 0.105 0.000 2.452 286 E HA 0.021 4.373 4.350 0.004 0.000 0.261 286 E C -0.864 175.753 176.600 0.029 0.000 0.987 286 E CA -0.290 56.132 56.400 0.037 0.000 0.926 286 E CB 0.587 30.289 29.700 0.004 0.000 0.934 286 E HN 0.272 nan 8.360 nan 0.000 0.452 287 V N 7.331 127.249 119.914 0.007 0.000 2.328 287 V HA 0.085 4.208 4.120 0.004 0.000 0.278 287 V C 1.033 177.111 176.094 -0.026 0.000 1.021 287 V CA -0.349 61.950 62.300 -0.002 0.000 0.838 287 V CB 1.119 32.940 31.823 -0.004 0.000 0.999 287 V HN 0.761 nan 8.190 nan 0.000 0.447 288 L N 3.513 124.718 121.223 -0.029 0.000 2.179 288 L HA 0.413 4.755 4.340 0.004 0.000 0.208 288 L C 1.034 177.871 176.870 -0.055 0.000 1.096 288 L CA 1.360 56.171 54.840 -0.049 0.000 0.779 288 L CB -0.166 41.866 42.059 -0.045 0.000 0.922 288 L HN 0.804 nan 8.230 nan 0.000 0.443 289 A N -1.364 121.435 122.820 -0.036 0.000 2.410 289 A HA 0.649 4.971 4.320 0.004 0.000 0.300 289 A C -1.714 175.859 177.584 -0.017 0.000 1.077 289 A CA -0.450 51.567 52.037 -0.034 0.000 0.610 289 A CB 1.125 20.107 19.000 -0.030 0.000 1.371 289 A HN -0.271 nan 8.150 nan 0.000 0.510 290 V N 0.298 120.205 119.914 -0.011 0.000 2.668 290 V HA 0.459 4.582 4.120 0.004 0.000 0.304 290 V C -0.845 175.251 176.094 0.004 0.000 1.071 290 V CA -0.523 61.774 62.300 -0.005 0.000 0.894 290 V CB 1.815 33.632 31.823 -0.009 0.000 1.008 290 V HN 0.870 nan 8.190 nan 0.000 0.425 291 V N 5.975 125.891 119.914 0.003 0.000 2.389 291 V HA 0.271 4.393 4.120 0.004 0.000 0.264 291 V C 1.137 177.237 176.094 0.010 0.000 1.049 291 V CA -0.021 62.283 62.300 0.007 0.000 0.932 291 V CB 1.150 32.970 31.823 -0.005 0.000 1.011 291 V HN 0.899 nan 8.190 nan 0.000 0.475 292 R N 4.109 124.625 120.500 0.026 0.000 2.090 292 R HA 0.352 4.695 4.340 0.004 0.000 0.219 292 R C 0.774 177.096 176.300 0.036 0.000 1.100 292 R CA 1.228 57.347 56.100 0.031 0.000 0.991 292 R CB 0.239 30.567 30.300 0.047 0.000 0.893 292 R HN 0.834 nan 8.270 nan 0.000 0.443 293 G N -1.836 106.996 108.800 0.052 0.000 2.495 293 G HA2 0.446 4.408 3.960 0.004 0.000 0.294 293 G HA3 0.446 4.408 3.960 0.004 0.000 0.294 293 G C -1.570 173.390 174.900 0.099 0.000 1.397 293 G CA -0.125 45.013 45.100 0.064 0.000 0.790 293 G HN 0.365 nan 8.290 nan 0.000 0.486 294 S N -1.880 113.905 115.700 0.143 0.000 2.597 294 S HA 0.921 5.394 4.470 0.004 0.000 0.274 294 S C -0.774 173.987 174.600 0.268 0.000 1.132 294 S CA 0.122 58.449 58.200 0.211 0.000 0.835 294 S CB 1.259 64.603 63.200 0.240 0.000 1.092 294 S HN 2.571 nan 8.310 nan 0.000 0.457 295 A N 1.012 123.959 122.820 0.212 0.000 2.539 295 A HA 0.880 5.202 4.320 0.004 0.000 0.296 295 A C -1.584 175.974 177.584 -0.043 0.000 1.073 295 A CA -0.866 51.228 52.037 0.095 0.000 0.700 295 A CB 1.297 20.358 19.000 0.102 0.000 1.296 295 A HN 0.994 nan 8.150 nan 0.000 0.405 296 L N 1.927 123.047 121.223 -0.172 0.000 2.370 296 L HA 0.675 5.017 4.340 0.004 0.000 0.266 296 L C -0.332 176.498 176.870 -0.067 0.000 1.002 296 L CA -0.854 53.894 54.840 -0.153 0.000 0.818 296 L CB 2.302 44.179 42.059 -0.304 0.000 1.325 296 L HN 1.021 nan 8.230 nan 0.000 0.418 297 N N 0.816 119.502 118.700 -0.023 0.000 3.378 297 N HA 0.362 5.104 4.740 0.004 0.000 0.294 297 N C -1.848 173.659 175.510 -0.005 0.000 1.544 297 N CA -0.756 52.284 53.050 -0.016 0.000 0.872 297 N CB 1.867 40.345 38.487 -0.015 0.000 1.670 297 N HN 0.469 nan 8.380 nan 0.000 0.551 298 Q N -0.316 119.477 119.800 -0.011 0.000 2.345 298 Q HA 0.281 4.623 4.340 0.004 0.000 0.275 298 Q C -1.213 174.775 176.000 -0.020 0.000 1.063 298 Q CA -0.267 55.532 55.803 -0.007 0.000 0.819 298 Q CB 1.920 30.657 28.738 -0.003 0.000 1.356 298 Q HN 0.865 nan 8.270 nan 0.000 0.418 299 D N 0.698 121.084 120.400 -0.023 0.000 2.342 299 D HA 0.198 4.840 4.640 0.004 0.000 0.221 299 D C 1.082 177.368 176.300 -0.022 0.000 1.101 299 D CA 0.482 54.461 54.000 -0.035 0.000 0.837 299 D CB 0.180 40.946 40.800 -0.057 0.000 0.938 299 D HN 0.821 nan 8.370 nan 0.000 0.508 300 G N 1.352 110.144 108.800 -0.012 0.000 2.685 300 G HA2 -0.343 3.619 3.960 0.004 0.000 0.329 300 G HA3 -0.343 3.619 3.960 0.004 0.000 0.329 300 G C 0.727 175.623 174.900 -0.006 0.000 1.271 300 G CA 0.833 45.928 45.100 -0.008 0.000 1.003 300 G HN 1.042 nan 8.290 nan 0.000 0.549 301 A N 0.914 123.729 122.820 -0.008 0.000 3.048 301 A HA 0.611 4.933 4.320 0.004 0.000 0.264 301 A C 1.163 178.742 177.584 -0.008 0.000 1.796 301 A CA 1.223 53.256 52.037 -0.006 0.000 1.445 301 A CB -1.086 17.910 19.000 -0.007 0.000 1.074 301 A HN 2.060 nan 8.150 nan 0.000 0.621 302 S N 0.849 116.546 115.700 -0.006 0.000 2.606 302 S HA 0.065 4.537 4.470 0.004 0.000 0.257 302 S C 0.593 175.193 174.600 0.000 0.000 1.327 302 S CA -0.498 57.698 58.200 -0.006 0.000 0.984 302 S CB 0.177 63.376 63.200 -0.001 0.000 0.941 302 S HN 0.528 nan 8.310 nan 0.000 0.576 303 N N 1.407 120.108 118.700 0.001 0.000 2.585 303 N HA 0.299 5.041 4.740 0.004 0.000 0.213 303 N C 0.497 176.015 175.510 0.013 0.000 1.385 303 N CA 0.783 53.836 53.050 0.005 0.000 0.871 303 N CB -0.753 37.736 38.487 0.004 0.000 1.154 303 N HN 0.957 nan 8.380 nan 0.000 0.474 304 G N -0.814 107.996 108.800 0.016 0.000 2.306 304 G HA2 -0.042 3.920 3.960 0.004 0.000 0.340 304 G HA3 -0.042 3.920 3.960 0.004 0.000 0.340 304 G C 0.224 175.142 174.900 0.029 0.000 1.630 304 G CA -0.830 44.284 45.100 0.023 0.000 0.937 304 G HN 0.131 nan 8.290 nan 0.000 0.693 305 L N 1.840 123.079 121.223 0.028 0.000 2.051 305 L HA -0.140 4.202 4.340 0.004 0.000 0.214 305 L C 3.030 179.932 176.870 0.053 0.000 1.076 305 L CA 3.629 58.489 54.840 0.033 0.000 0.758 305 L CB -0.261 41.814 42.059 0.026 0.000 0.890 305 L HN 0.996 nan 8.230 nan 0.000 0.433 306 S N -0.446 115.292 115.700 0.064 0.000 2.382 306 S HA 0.018 4.490 4.470 0.004 0.000 0.228 306 S C 1.100 175.769 174.600 0.114 0.000 1.027 306 S CA 0.448 58.709 58.200 0.101 0.000 0.991 306 S CB -0.916 62.343 63.200 0.099 0.000 0.823 306 S HN 0.516 nan 8.310 nan 0.000 0.469 307 A N 3.174 126.041 122.820 0.079 0.000 2.303 307 A HA 0.707 5.029 4.320 0.004 0.000 0.317 307 A C -2.210 175.408 177.584 0.058 0.000 1.149 307 A CA -2.057 50.024 52.037 0.073 0.000 0.822 307 A CB 0.292 19.320 19.000 0.047 0.000 1.131 307 A HN 0.294 nan 8.150 nan 0.000 0.493 308 P HA 0.248 nan 4.420 nan 0.000 0.273 308 P C -0.364 176.917 177.300 -0.032 0.000 1.250 308 P CA -0.172 62.937 63.100 0.015 0.000 0.793 308 P CB 0.926 32.647 31.700 0.035 0.000 1.011 309 S N -1.117 114.530 115.700 -0.088 0.000 2.672 309 S HA 0.523 4.995 4.470 0.004 0.000 0.291 309 S C 1.115 175.638 174.600 -0.130 0.000 1.145 309 S CA -0.231 57.917 58.200 -0.087 0.000 1.013 309 S CB 0.523 63.679 63.200 -0.072 0.000 1.017 309 S HN 0.529 nan 8.310 nan 0.000 0.487 310 G N 5.049 113.790 108.800 -0.098 0.000 2.394 310 G HA2 0.038 4.000 3.960 0.004 0.000 0.214 310 G HA3 0.038 4.000 3.960 0.004 0.000 0.214 310 G C -1.107 173.728 174.900 -0.108 0.000 1.176 310 G CA 0.537 45.574 45.100 -0.105 0.000 0.786 310 G HN 0.617 nan 8.290 nan 0.000 0.533 311 P HA -0.088 nan 4.420 nan 0.000 0.215 311 P C 2.198 179.439 177.300 -0.097 0.000 1.157 311 P CA 2.082 65.133 63.100 -0.081 0.000 0.868 311 P CB -0.228 31.436 31.700 -0.061 0.000 0.788 312 A N -0.342 122.414 122.820 -0.106 0.000 1.978 312 A HA -0.276 4.047 4.320 0.004 0.000 0.220 312 A C 2.273 179.763 177.584 -0.157 0.000 1.170 312 A CA 1.784 53.752 52.037 -0.115 0.000 0.636 312 A CB -1.348 17.585 19.000 -0.111 0.000 0.810 312 A HN 0.239 nan 8.150 nan 0.000 0.448 313 Q N -1.130 118.536 119.800 -0.224 0.000 2.137 313 Q HA -0.057 4.285 4.340 0.004 0.000 0.198 313 Q C 2.352 178.250 176.000 -0.169 0.000 0.960 313 Q CA 1.009 56.640 55.803 -0.286 0.000 0.847 313 Q CB -0.097 28.384 28.738 -0.428 0.000 0.915 313 Q HN 0.619 nan 8.270 nan 0.000 0.448 314 R N 0.322 120.737 120.500 -0.142 0.000 2.096 314 R HA -0.103 4.239 4.340 0.004 0.000 0.235 314 R C 2.243 178.462 176.300 -0.134 0.000 1.127 314 R CA 1.255 57.276 56.100 -0.132 0.000 0.968 314 R CB -0.042 30.192 30.300 -0.109 0.000 0.861 314 R HN 0.129 nan 8.270 nan 0.000 0.440 315 R N -0.250 120.185 120.500 -0.109 0.000 2.062 315 R HA -0.068 4.275 4.340 0.004 0.000 0.229 315 R C 2.315 178.572 176.300 -0.072 0.000 1.128 315 R CA 1.068 57.118 56.100 -0.084 0.000 0.960 315 R CB -0.513 29.748 30.300 -0.066 0.000 0.855 315 R HN 0.060 nan 8.270 nan 0.000 0.432 316 V N 1.211 121.088 119.914 -0.062 0.000 2.392 316 V HA -0.242 3.881 4.120 0.004 0.000 0.249 316 V C 1.993 178.060 176.094 -0.045 0.000 1.059 316 V CA 1.677 63.969 62.300 -0.013 0.000 1.051 316 V CB -0.208 31.648 31.823 0.056 0.000 0.658 316 V HN 0.279 nan 8.190 nan 0.000 0.455 317 I N -0.562 119.897 120.570 -0.184 0.000 2.113 317 I HA -0.251 3.922 4.170 0.004 0.000 0.238 317 I C 2.727 178.714 176.117 -0.216 0.000 1.070 317 I CA 1.869 62.930 61.300 -0.397 0.000 1.332 317 I CB -0.461 37.253 38.000 -0.477 0.000 1.044 317 I HN 0.209 nan 8.210 nan 0.000 0.402 318 R N 0.410 120.795 120.500 -0.193 0.000 2.117 318 R HA -0.245 4.097 4.340 0.004 0.000 0.243 318 R C 2.210 178.477 176.300 -0.055 0.000 1.143 318 R CA 1.680 57.702 56.100 -0.131 0.000 0.968 318 R CB -0.447 29.785 30.300 -0.113 0.000 0.863 318 R HN 0.589 nan 8.270 nan 0.000 0.444 319 Q N -0.355 119.429 119.800 -0.027 0.000 2.187 319 Q HA 0.023 4.365 4.340 0.004 0.000 0.199 319 Q C 2.165 178.197 176.000 0.054 0.000 0.957 319 Q CA 1.006 56.817 55.803 0.012 0.000 0.857 319 Q CB -0.015 28.731 28.738 0.013 0.000 0.929 319 Q HN 0.320 nan 8.270 nan 0.000 0.453 320 A N 1.670 124.542 122.820 0.087 0.000 1.877 320 A HA -0.154 4.168 4.320 0.004 0.000 0.216 320 A C 2.150 179.816 177.584 0.136 0.000 1.186 320 A CA 1.113 53.247 52.037 0.162 0.000 0.620 320 A CB -0.738 18.449 19.000 0.312 0.000 0.822 320 A HN 0.266 nan 8.150 nan 0.000 0.443 321 L N -0.795 120.489 121.223 0.102 0.000 2.046 321 L HA -0.205 4.137 4.340 0.004 0.000 0.208 321 L C 2.706 179.610 176.870 0.056 0.000 1.077 321 L CA 1.922 56.811 54.840 0.082 0.000 0.747 321 L CB -0.592 41.480 42.059 0.021 0.000 0.896 321 L HN 0.601 nan 8.230 nan 0.000 0.432 322 E N 0.365 120.585 120.200 0.034 0.000 2.152 322 E HA -0.185 4.167 4.350 0.004 0.000 0.192 322 E C 2.257 178.880 176.600 0.039 0.000 0.983 322 E CA 1.192 57.609 56.400 0.027 0.000 0.818 322 E CB 0.129 29.837 29.700 0.012 0.000 0.758 322 E HN 0.487 nan 8.360 nan 0.000 0.467 323 S N -0.013 115.719 115.700 0.053 0.000 2.442 323 S HA -0.134 4.339 4.470 0.004 0.000 0.236 323 S C 2.162 176.792 174.600 0.049 0.000 1.007 323 S CA 1.020 59.253 58.200 0.055 0.000 0.965 323 S CB -0.707 62.538 63.200 0.076 0.000 0.773 323 S HN 0.528 nan 8.310 nan 0.000 0.504 324 C N -0.934 118.399 119.300 0.056 0.000 3.038 324 C HA 0.803 5.265 4.460 0.004 0.000 0.279 324 C C 1.781 176.796 174.990 0.042 0.000 1.276 324 C CA -0.418 58.629 59.018 0.047 0.000 1.697 324 C CB -0.705 27.068 27.740 0.055 0.000 2.032 324 C HN 0.951 nan 8.230 nan 0.000 0.636 325 G N 1.174 109.999 108.800 0.040 0.000 2.130 325 G HA2 -0.160 3.803 3.960 0.004 0.000 0.216 325 G HA3 -0.160 3.803 3.960 0.004 0.000 0.216 325 G C -0.303 174.622 174.900 0.041 0.000 0.999 325 G CA 0.173 45.293 45.100 0.034 0.000 0.686 325 G HN 0.606 nan 8.290 nan 0.000 0.515 326 L N -0.109 121.147 121.223 0.054 0.000 2.344 326 L HA 0.669 5.011 4.340 0.004 0.000 0.272 326 L C 0.615 177.520 176.870 0.057 0.000 1.035 326 L CA -0.909 53.971 54.840 0.067 0.000 0.807 326 L CB 1.374 43.492 42.059 0.098 0.000 1.237 326 L HN 0.188 nan 8.230 nan 0.000 0.442 327 E N 1.653 121.888 120.200 0.060 0.000 2.227 327 E HA 0.241 4.593 4.350 0.004 0.000 0.268 327 E C -1.752 174.897 176.600 0.081 0.000 0.990 327 E CA -1.725 54.702 56.400 0.043 0.000 0.856 327 E CB 1.468 31.189 29.700 0.035 0.000 1.159 327 E HN 0.323 nan 8.360 nan 0.000 0.401 328 P HA -0.184 nan 4.420 nan 0.000 0.216 328 P C 1.271 178.727 177.300 0.260 0.000 1.150 328 P CA 1.333 64.522 63.100 0.147 0.000 0.843 328 P CB -0.004 31.689 31.700 -0.011 0.000 0.787 329 G N -0.003 108.884 108.800 0.145 0.000 2.499 329 G HA2 -0.242 3.721 3.960 0.004 0.000 0.221 329 G HA3 -0.242 3.721 3.960 0.004 0.000 0.221 329 G C 1.003 175.977 174.900 0.124 0.000 1.109 329 G CA 0.790 45.962 45.100 0.119 0.000 0.749 329 G HN 0.219 nan 8.290 nan 0.000 0.568 330 D N -0.354 120.129 120.400 0.138 0.000 2.363 330 D HA 0.054 4.696 4.640 0.004 0.000 0.220 330 D C 0.626 177.019 176.300 0.155 0.000 0.994 330 D CA 0.226 54.304 54.000 0.130 0.000 0.890 330 D CB 0.519 41.390 40.800 0.118 0.000 0.906 330 D HN 0.119 nan 8.370 nan 0.000 0.530 331 V N 1.828 121.847 119.914 0.176 0.000 2.398 331 V HA 0.081 4.203 4.120 0.004 0.000 0.286 331 V C 0.839 176.973 176.094 0.067 0.000 1.026 331 V CA -0.488 61.892 62.300 0.132 0.000 0.868 331 V CB 2.250 34.146 31.823 0.122 0.000 0.982 331 V HN -0.076 nan 8.190 nan 0.000 0.443 332 D N 3.374 123.859 120.400 0.141 0.000 2.305 332 D HA 0.277 4.919 4.640 0.004 0.000 0.206 332 D C 0.546 176.859 176.300 0.021 0.000 0.974 332 D CA 0.935 55.031 54.000 0.160 0.000 0.871 332 D CB 1.149 42.206 40.800 0.429 0.000 0.947 332 D HN 0.637 nan 8.370 nan 0.000 0.516 333 A N 0.200 122.968 122.820 -0.087 0.000 2.594 333 A HA 0.513 4.835 4.320 0.004 0.000 0.296 333 A C -1.407 176.079 177.584 -0.164 0.000 1.061 333 A CA -0.569 51.373 52.037 -0.157 0.000 0.689 333 A CB 1.638 20.420 19.000 -0.364 0.000 1.280 333 A HN -0.103 nan 8.150 nan 0.000 0.406 334 V N 1.243 121.079 119.914 -0.129 0.000 2.540 334 V HA 0.599 4.721 4.120 0.004 0.000 0.302 334 V C -0.395 175.694 176.094 -0.009 0.000 1.035 334 V CA -0.461 61.796 62.300 -0.073 0.000 0.873 334 V CB 1.729 33.530 31.823 -0.036 0.000 0.992 334 V HN 0.979 nan 8.190 nan 0.000 0.428 335 E N 3.987 124.192 120.200 0.008 0.000 2.035 335 E HA 0.641 4.993 4.350 0.004 0.000 0.271 335 E C 0.047 176.693 176.600 0.078 0.000 0.953 335 E CA -0.137 56.289 56.400 0.044 0.000 0.777 335 E CB 1.023 30.741 29.700 0.030 0.000 1.104 335 E HN 0.866 nan 8.360 nan 0.000 0.408 336 A N 4.250 127.164 122.820 0.156 0.000 2.280 336 A HA 0.157 4.479 4.320 0.004 0.000 0.268 336 A C 1.068 178.736 177.584 0.139 0.000 1.111 336 A CA 0.076 52.245 52.037 0.220 0.000 0.814 336 A CB 0.105 19.375 19.000 0.449 0.000 1.093 336 A HN 0.975 nan 8.150 nan 0.000 0.498 337 H N 0.514 119.555 119.070 -0.048 0.000 2.353 337 H HA -0.065 4.494 4.556 0.004 0.000 0.300 337 H C 1.437 176.725 175.328 -0.065 0.000 1.090 337 H CA 0.938 56.892 56.048 -0.157 0.000 1.327 337 H CB -0.298 29.257 29.762 -0.344 0.000 1.383 337 H HN 1.040 nan 8.280 nan 0.000 0.508 338 G N 1.274 110.041 108.800 -0.055 0.000 2.130 338 G HA2 -0.302 3.660 3.960 0.004 0.000 0.234 338 G HA3 -0.302 3.660 3.960 0.004 0.000 0.234 338 G C 0.990 175.605 174.900 -0.475 0.000 0.562 338 G CA 0.892 45.775 45.100 -0.362 0.000 1.039 338 G HN 0.686 nan 8.290 nan 0.000 0.378 339 T N -1.089 113.159 114.554 -0.511 0.000 3.035 339 T HA 0.383 4.735 4.350 0.004 0.000 0.259 339 T C 2.058 176.547 174.700 -0.352 0.000 1.078 339 T CA 0.952 62.786 62.100 -0.442 0.000 1.132 339 T CB 0.378 69.053 68.868 -0.322 0.000 0.900 339 T HN 2.239 nan 8.240 nan 0.000 0.480 340 G N 0.797 109.370 108.800 -0.378 0.000 2.140 340 G HA2 -0.181 3.781 3.960 0.004 0.000 0.211 340 G HA3 -0.181 3.781 3.960 0.004 0.000 0.211 340 G C 0.034 174.751 174.900 -0.305 0.000 1.013 340 G CA -0.013 44.899 45.100 -0.314 0.000 0.705 340 G HN 0.669 nan 8.290 nan 0.000 0.508 341 T N 0.563 114.911 114.554 -0.342 0.000 2.806 341 T HA 0.598 4.950 4.350 0.004 0.000 0.290 341 T C 1.812 176.399 174.700 -0.189 0.000 0.966 341 T CA 0.773 62.654 62.100 -0.364 0.000 1.060 341 T CB 1.215 69.814 68.868 -0.447 0.000 0.927 341 T HN 1.129 nan 8.240 nan 0.000 0.485 342 A N 4.096 126.831 122.820 -0.142 0.000 1.927 342 A HA -0.088 4.234 4.320 0.004 0.000 0.220 342 A C 1.997 179.525 177.584 -0.094 0.000 1.185 342 A CA 1.744 53.729 52.037 -0.086 0.000 0.639 342 A CB -0.584 18.376 19.000 -0.067 0.000 0.820 342 A HN 0.820 nan 8.150 nan 0.000 0.451 343 L N -1.744 119.428 121.223 -0.085 0.000 2.307 343 L HA 0.110 4.452 4.340 0.004 0.000 0.211 343 L C 2.612 179.471 176.870 -0.018 0.000 1.099 343 L CA 0.705 55.507 54.840 -0.063 0.000 0.816 343 L CB -0.255 41.782 42.059 -0.037 0.000 0.952 343 L HN 0.449 nan 8.230 nan 0.000 0.455 344 G N -1.073 107.723 108.800 -0.006 0.000 2.539 344 G HA2 -0.133 3.829 3.960 0.004 0.000 0.215 344 G HA3 -0.133 3.829 3.960 0.004 0.000 0.215 344 G C 1.001 175.970 174.900 0.116 0.000 1.141 344 G CA 0.123 45.260 45.100 0.063 0.000 0.806 344 G HN 0.172 nan 8.290 nan 0.000 0.533 345 D N 1.656 122.099 120.400 0.073 0.000 2.087 345 D HA -0.071 4.572 4.640 0.004 0.000 0.192 345 D C 0.073 176.574 176.300 0.335 0.000 0.993 345 D CA 1.063 55.183 54.000 0.199 0.000 0.828 345 D CB -1.275 39.572 40.800 0.079 0.000 0.968 345 D HN 0.192 nan 8.370 nan 0.000 0.448 346 P HA -0.102 nan 4.420 nan 0.000 0.215 346 P C 1.777 179.133 177.300 0.092 0.000 1.157 346 P CA 0.878 64.067 63.100 0.148 0.000 0.874 346 P CB 0.001 31.749 31.700 0.080 0.000 0.790 347 I N -0.445 120.171 120.570 0.078 0.000 2.118 347 I HA -0.294 3.878 4.170 0.004 0.000 0.241 347 I C 2.551 178.714 176.117 0.077 0.000 1.070 347 I CA 1.743 63.070 61.300 0.046 0.000 1.327 347 I CB -0.691 37.325 38.000 0.028 0.000 1.034 347 I HN 0.045 nan 8.210 nan 0.000 0.405 348 E N 0.979 121.293 120.200 0.191 0.000 2.070 348 E HA -0.282 4.070 4.350 0.004 0.000 0.197 348 E C 2.210 178.937 176.600 0.211 0.000 1.004 348 E CA 1.613 58.188 56.400 0.292 0.000 0.805 348 E CB -0.050 29.986 29.700 0.560 0.000 0.744 348 E HN 0.512 nan 8.360 nan 0.000 0.451 349 A N 1.101 124.022 122.820 0.169 0.000 1.873 349 A HA -0.183 4.139 4.320 0.004 0.000 0.215 349 A C 1.931 179.435 177.584 -0.134 0.000 1.186 349 A CA 1.495 53.498 52.037 -0.058 0.000 0.616 349 A CB -0.635 18.242 19.000 -0.205 0.000 0.823 349 A HN 0.265 nan 8.150 nan 0.000 0.442 350 N N 0.653 119.279 118.700 -0.124 0.000 2.192 350 N HA -0.144 4.598 4.740 0.004 0.000 0.188 350 N C 1.692 177.156 175.510 -0.077 0.000 1.013 350 N CA 1.540 54.515 53.050 -0.125 0.000 0.863 350 N CB -0.495 37.935 38.487 -0.095 0.000 0.990 350 N HN 0.508 nan 8.380 nan 0.000 0.430 351 A N 0.507 123.305 122.820 -0.037 0.000 1.970 351 A HA 0.056 4.378 4.320 0.004 0.000 0.216 351 A C 2.290 179.873 177.584 -0.002 0.000 1.170 351 A CA 0.522 52.538 52.037 -0.034 0.000 0.645 351 A CB -0.394 18.581 19.000 -0.042 0.000 0.816 351 A HN 0.197 nan 8.150 nan 0.000 0.447 352 L N -0.681 120.568 121.223 0.043 0.000 2.109 352 L HA -0.080 4.262 4.340 0.004 0.000 0.207 352 L C 2.268 179.171 176.870 0.054 0.000 1.086 352 L CA 0.729 55.639 54.840 0.117 0.000 0.760 352 L CB -0.510 41.621 42.059 0.120 0.000 0.910 352 L HN 0.320 nan 8.230 nan 0.000 0.437 353 L N -0.252 120.947 121.223 -0.040 0.000 2.362 353 L HA -0.159 4.183 4.340 0.004 0.000 0.219 353 L C 1.454 178.290 176.870 -0.055 0.000 1.134 353 L CA 0.703 55.501 54.840 -0.069 0.000 0.807 353 L CB -0.383 41.585 42.059 -0.151 0.000 0.927 353 L HN 0.297 nan 8.230 nan 0.000 0.447 354 D N -1.763 118.603 120.400 -0.057 0.000 2.367 354 D HA -0.041 4.601 4.640 0.004 0.000 0.207 354 D C 1.897 178.149 176.300 -0.080 0.000 1.034 354 D CA 1.116 55.076 54.000 -0.066 0.000 0.861 354 D CB 0.312 41.070 40.800 -0.071 0.000 0.943 354 D HN 0.361 nan 8.370 nan 0.000 0.515 355 T N -2.293 112.206 114.554 -0.092 0.000 3.499 355 T HA -0.001 4.351 4.350 0.004 0.000 0.227 355 T C 1.839 176.451 174.700 -0.146 0.000 0.946 355 T CA -0.007 61.983 62.100 -0.184 0.000 1.368 355 T CB -0.733 67.927 68.868 -0.346 0.000 1.227 355 T HN -0.119 nan 8.240 nan 0.000 0.398 356 Y N 2.289 122.571 120.300 -0.029 0.000 2.181 356 Y HA 0.220 4.771 4.550 0.003 0.000 0.288 356 Y C 2.918 178.797 175.900 -0.035 0.000 1.146 356 Y CA 1.227 59.317 58.100 -0.018 0.000 1.164 356 Y CB -0.879 37.580 38.460 -0.001 0.000 0.982 356 Y HN 0.491 nan 8.280 nan 0.000 0.515 357 G N -0.803 108.062 108.800 0.108 0.000 2.679 357 G HA2 -0.122 3.840 3.960 0.004 0.000 0.212 357 G HA3 -0.122 3.840 3.960 0.004 0.000 0.212 357 G C 1.763 176.661 174.900 -0.003 0.000 1.137 357 G CA 0.067 45.182 45.100 0.026 0.000 0.787 357 G HN 0.216 nan 8.290 nan 0.000 0.534 358 R N 0.078 120.574 120.500 -0.008 0.000 2.070 358 R HA -0.008 4.334 4.340 0.004 0.000 0.227 358 R C 0.919 177.210 176.300 -0.015 0.000 1.147 358 R CA 0.899 56.985 56.100 -0.022 0.000 0.924 358 R CB -0.331 29.948 30.300 -0.035 0.000 0.827 358 R HN 0.248 nan 8.270 nan 0.000 0.431 359 D N -0.175 120.221 120.400 -0.007 0.000 2.346 359 D HA 0.072 4.714 4.640 0.004 0.000 0.249 359 D C -0.330 175.971 176.300 0.001 0.000 1.308 359 D CA 0.568 54.567 54.000 -0.001 0.000 0.987 359 D CB 0.615 41.419 40.800 0.007 0.000 1.114 359 D HN -0.079 nan 8.370 nan 0.000 0.529 360 R N 0.026 120.527 120.500 0.001 0.000 6.239 360 R HA 0.079 4.421 4.340 0.004 0.000 0.243 360 R C -2.235 174.060 176.300 -0.009 0.000 0.905 360 R CA -0.559 55.536 56.100 -0.008 0.000 1.590 360 R CB -0.057 30.231 30.300 -0.020 0.000 1.174 360 R HN 0.227 nan 8.270 nan 0.000 0.787 361 D N 2.327 122.720 120.400 -0.012 0.000 2.249 361 D HA 0.384 5.026 4.640 0.004 0.000 0.246 361 D C 0.732 177.014 176.300 -0.029 0.000 1.114 361 D CA 0.168 54.161 54.000 -0.012 0.000 0.854 361 D CB 1.601 42.400 40.800 -0.002 0.000 1.132 361 D HN 0.545 nan 8.370 nan 0.000 0.461 362 A N 2.470 125.275 122.820 -0.024 0.000 2.276 362 A HA -0.077 4.245 4.320 0.004 0.000 0.205 362 A C 0.487 178.052 177.584 -0.032 0.000 1.234 362 A CA 0.730 52.749 52.037 -0.031 0.000 0.797 362 A CB -0.066 18.924 19.000 -0.017 0.000 0.769 362 A HN 0.438 nan 8.150 nan 0.000 0.491 363 D N -1.586 118.798 120.400 -0.027 0.000 2.594 363 D HA 0.146 4.788 4.640 0.004 0.000 0.256 363 D C 0.206 176.498 176.300 -0.013 0.000 1.393 363 D CA -0.033 53.960 54.000 -0.012 0.000 0.797 363 D CB 0.382 41.191 40.800 0.015 0.000 1.110 363 D HN 0.391 nan 8.370 nan 0.000 0.495 364 R N 1.701 122.166 120.500 -0.058 0.000 2.655 364 R HA 0.283 4.625 4.340 0.004 0.000 0.261 364 R C -2.941 173.238 176.300 -0.202 0.000 1.624 364 R CA -0.969 55.085 56.100 -0.077 0.000 1.655 364 R CB 0.906 31.204 30.300 -0.003 0.000 1.356 364 R HN -0.152 nan 8.270 nan 0.000 0.684 365 P HA 0.137 nan 4.420 nan 0.000 0.278 365 P C -0.955 176.006 177.300 -0.564 0.000 1.266 365 P CA -0.753 62.084 63.100 -0.437 0.000 0.807 365 P CB 0.721 32.111 31.700 -0.516 0.000 1.094 366 L N 1.336 122.337 121.223 -0.371 0.000 2.313 366 L HA 0.318 4.660 4.340 0.004 0.000 0.282 366 L C -0.945 175.718 176.870 -0.346 0.000 1.092 366 L CA -0.069 54.582 54.840 -0.315 0.000 0.831 366 L CB -0.299 41.646 42.059 -0.190 0.000 1.159 366 L HN 0.248 nan 8.230 nan 0.000 0.442 367 W N 6.329 127.542 121.300 -0.144 0.000 2.287 367 W HA 0.459 5.120 4.660 0.003 0.000 0.313 367 W C -0.315 176.108 176.519 -0.161 0.000 1.267 367 W CA -0.380 56.871 57.345 -0.157 0.000 1.201 367 W CB 0.701 30.029 29.460 -0.221 0.000 1.196 367 W HN 0.349 nan 8.180 nan 0.000 0.536 368 L N 3.678 124.966 121.223 0.108 0.000 2.341 368 L HA 0.871 5.213 4.340 0.004 0.000 0.278 368 L C 0.242 177.147 176.870 0.057 0.000 1.005 368 L CA -0.259 54.590 54.840 0.016 0.000 0.818 368 L CB 1.454 43.454 42.059 -0.099 0.000 1.259 368 L HN 0.637 nan 8.230 nan 0.000 0.418 369 G N 1.361 110.217 108.800 0.093 0.000 2.749 369 G HA2 0.546 4.508 3.960 0.004 0.000 0.300 369 G HA3 0.546 4.508 3.960 0.004 0.000 0.300 369 G C -1.907 173.111 174.900 0.197 0.000 1.352 369 G CA -0.368 44.816 45.100 0.140 0.000 0.789 369 G HN 0.490 nan 8.290 nan 0.000 0.509 370 S N -1.409 114.376 115.700 0.142 0.000 2.566 370 S HA 0.374 4.846 4.470 0.004 0.000 0.273 370 S C 1.126 175.752 174.600 0.044 0.000 1.157 370 S CA 0.117 58.376 58.200 0.098 0.000 0.938 370 S CB 1.411 64.657 63.200 0.076 0.000 1.087 370 S HN 1.622 nan 8.310 nan 0.000 0.474 371 V N 3.947 123.885 119.914 0.040 0.000 2.469 371 V HA -0.105 4.017 4.120 0.004 0.000 0.251 371 V C 2.176 178.283 176.094 0.021 0.000 1.064 371 V CA 1.654 63.974 62.300 0.034 0.000 1.066 371 V CB -1.092 30.761 31.823 0.050 0.000 0.667 371 V HN 0.874 nan 8.190 nan 0.000 0.461 372 K N 2.039 122.439 120.400 0.001 0.000 2.211 372 K HA -0.155 4.167 4.320 0.004 0.000 0.204 372 K C 2.503 179.110 176.600 0.012 0.000 1.047 372 K CA 1.743 58.024 56.287 -0.010 0.000 0.935 372 K CB -0.440 32.011 32.500 -0.082 0.000 0.728 372 K HN 0.777 nan 8.250 nan 0.000 0.452 373 S N 1.468 117.181 115.700 0.023 0.000 2.356 373 S HA -0.157 4.315 4.470 0.004 0.000 0.223 373 S C 1.774 176.418 174.600 0.073 0.000 1.032 373 S CA 1.115 59.365 58.200 0.085 0.000 1.005 373 S CB -0.354 62.856 63.200 0.017 0.000 0.867 373 S HN 0.265 nan 8.310 nan 0.000 0.449 374 N N 2.183 120.891 118.700 0.013 0.000 2.080 374 N HA 0.015 4.757 4.740 0.004 0.000 0.189 374 N C 1.759 177.287 175.510 0.031 0.000 1.036 374 N CA 1.891 54.945 53.050 0.007 0.000 0.846 374 N CB -0.263 38.214 38.487 -0.016 0.000 1.015 374 N HN 0.766 nan 8.380 nan 0.000 0.423 375 I N -3.148 117.441 120.570 0.032 0.000 3.947 375 I HA 0.387 4.559 4.170 0.004 0.000 0.327 375 I C 0.499 176.635 176.117 0.031 0.000 1.519 375 I CA -0.286 61.033 61.300 0.031 0.000 1.122 375 I CB 0.319 38.338 38.000 0.032 0.000 1.146 375 I HN 0.052 nan 8.210 nan 0.000 0.442 376 G N 2.489 111.309 108.800 0.033 0.000 2.796 376 G HA2 -0.319 3.643 3.960 0.004 0.000 0.226 376 G HA3 -0.319 3.643 3.960 0.004 0.000 0.226 376 G C -0.874 174.076 174.900 0.083 0.000 1.381 376 G CA 0.109 45.230 45.100 0.034 0.000 0.867 376 G HN 0.789 nan 8.290 nan 0.000 0.552 377 H N 0.498 119.538 119.070 -0.050 0.000 2.641 377 H HA 0.593 5.151 4.556 0.003 0.000 0.295 377 H C 1.605 176.958 175.328 0.042 0.000 1.070 377 H CA 0.387 56.420 56.048 -0.025 0.000 1.257 377 H CB 0.563 30.266 29.762 -0.098 0.000 1.393 377 H HN 0.881 nan 8.280 nan 0.000 0.464 378 T N 1.109 115.776 114.554 0.189 0.000 3.206 378 T HA 0.184 4.536 4.350 0.004 0.000 0.253 378 T C 0.794 175.492 174.700 -0.002 0.000 1.042 378 T CA 0.193 62.320 62.100 0.046 0.000 0.931 378 T CB 0.027 68.933 68.868 0.063 0.000 1.029 378 T HN 0.749 nan 8.240 nan 0.000 0.564 379 Q N 0.780 120.502 119.800 -0.129 0.000 1.823 379 Q HA -0.351 3.991 4.340 0.004 0.000 0.353 379 Q C 1.786 177.817 176.000 0.052 0.000 0.724 379 Q CA 1.596 57.310 55.803 -0.149 0.000 0.937 379 Q CB -1.910 26.765 28.738 -0.105 0.000 2.739 379 Q HN 0.580 nan 8.270 nan 0.000 0.718 380 A N 0.015 122.874 122.820 0.065 0.000 2.015 380 A HA 0.230 4.552 4.320 0.004 0.000 0.219 380 A C 1.887 179.522 177.584 0.085 0.000 1.163 380 A CA 1.891 53.977 52.037 0.080 0.000 0.646 380 A CB -0.498 18.549 19.000 0.078 0.000 0.806 380 A HN 0.722 nan 8.150 nan 0.000 0.448 381 A N -0.707 122.161 122.820 0.080 0.000 2.251 381 A HA 0.512 4.835 4.320 0.004 0.000 0.209 381 A C 2.099 179.741 177.584 0.098 0.000 1.187 381 A CA 1.087 53.172 52.037 0.079 0.000 0.823 381 A CB -0.610 18.427 19.000 0.063 0.000 0.846 381 A HN 0.765 nan 8.150 nan 0.000 0.486 382 A N 0.191 123.091 122.820 0.134 0.000 1.851 382 A HA 0.065 4.387 4.320 0.004 0.000 0.216 382 A C 2.347 180.005 177.584 0.123 0.000 1.195 382 A CA 1.993 54.136 52.037 0.175 0.000 0.622 382 A CB -1.357 17.828 19.000 0.309 0.000 0.831 382 A HN 0.678 nan 8.150 nan 0.000 0.444 383 G N -1.211 107.652 108.800 0.104 0.000 2.404 383 G HA2 -0.089 3.873 3.960 0.004 0.000 0.215 383 G HA3 -0.089 3.873 3.960 0.004 0.000 0.215 383 G C 1.595 176.528 174.900 0.056 0.000 1.174 383 G CA 1.111 46.249 45.100 0.063 0.000 0.780 383 G HN 0.535 nan 8.290 nan 0.000 0.537 384 V N 1.312 121.264 119.914 0.063 0.000 2.594 384 V HA -0.136 3.986 4.120 0.004 0.000 0.253 384 V C 2.954 179.087 176.094 0.064 0.000 1.069 384 V CA 2.671 65.008 62.300 0.061 0.000 1.082 384 V CB -0.610 31.253 31.823 0.066 0.000 0.680 384 V HN 0.443 nan 8.190 nan 0.000 0.469 385 T N -0.245 114.352 114.554 0.072 0.000 2.904 385 T HA -0.030 4.322 4.350 0.004 0.000 0.267 385 T C 1.814 176.557 174.700 0.072 0.000 1.059 385 T CA 1.095 63.239 62.100 0.074 0.000 1.137 385 T CB -0.646 68.269 68.868 0.078 0.000 0.879 385 T HN 0.626 nan 8.240 nan 0.000 0.467 386 G N 1.825 110.664 108.800 0.064 0.000 2.476 386 G HA2 -0.203 3.760 3.960 0.004 0.000 0.218 386 G HA3 -0.203 3.760 3.960 0.004 0.000 0.218 386 G C 1.476 176.410 174.900 0.057 0.000 1.164 386 G CA 0.586 45.719 45.100 0.055 0.000 0.768 386 G HN 0.426 nan 8.290 nan 0.000 0.560 387 L N -0.597 120.656 121.223 0.051 0.000 2.013 387 L HA -0.125 4.217 4.340 0.004 0.000 0.212 387 L C 2.940 179.847 176.870 0.063 0.000 1.073 387 L CA 0.785 55.655 54.840 0.051 0.000 0.753 387 L CB -0.388 41.697 42.059 0.044 0.000 0.890 387 L HN 0.184 nan 8.230 nan 0.000 0.432 388 L N 0.101 121.365 121.223 0.068 0.000 1.997 388 L HA -0.324 4.019 4.340 0.004 0.000 0.216 388 L C 2.593 179.521 176.870 0.096 0.000 1.074 388 L CA 1.957 56.842 54.840 0.075 0.000 0.763 388 L CB -0.739 41.371 42.059 0.084 0.000 0.890 388 L HN 0.226 nan 8.230 nan 0.000 0.434 389 K N -0.746 119.725 120.400 0.119 0.000 2.026 389 K HA -0.165 4.157 4.320 0.004 0.000 0.208 389 K C 2.031 178.722 176.600 0.152 0.000 1.048 389 K CA 1.734 58.122 56.287 0.169 0.000 0.929 389 K CB -0.161 32.427 32.500 0.147 0.000 0.713 389 K HN 0.140 nan 8.250 nan 0.000 0.439 390 V N 0.869 120.857 119.914 0.122 0.000 2.332 390 V HA -0.226 3.897 4.120 0.004 0.000 0.248 390 V C 2.289 178.472 176.094 0.149 0.000 1.055 390 V CA 1.639 64.032 62.300 0.155 0.000 1.038 390 V CB -0.113 31.785 31.823 0.126 0.000 0.651 390 V HN 0.207 nan 8.190 nan 0.000 0.450 391 V N -0.678 119.278 119.914 0.069 0.000 2.719 391 V HA -0.118 4.004 4.120 0.004 0.000 0.252 391 V C 2.098 178.150 176.094 -0.070 0.000 1.065 391 V CA 1.335 63.639 62.300 0.006 0.000 1.086 391 V CB -0.300 31.521 31.823 -0.002 0.000 0.700 391 V HN 0.432 nan 8.190 nan 0.000 0.467 392 L N -0.191 120.986 121.223 -0.077 0.000 2.209 392 L HA 0.023 4.365 4.340 0.004 0.000 0.207 392 L C 2.651 179.188 176.870 -0.555 0.000 1.094 392 L CA 1.174 55.852 54.840 -0.269 0.000 0.790 392 L CB -0.586 41.419 42.059 -0.091 0.000 0.932 392 L HN 0.321 nan 8.230 nan 0.000 0.447 393 A N 0.299 122.994 122.820 -0.207 0.000 1.873 393 A HA -0.144 4.178 4.320 0.004 0.000 0.215 393 A C 2.211 179.784 177.584 -0.018 0.000 1.186 393 A CA 1.176 53.173 52.037 -0.066 0.000 0.616 393 A CB -0.660 18.551 19.000 0.352 0.000 0.823 393 A HN 0.280 nan 8.150 nan 0.000 0.442 394 L N -0.969 120.250 121.223 -0.006 0.000 1.951 394 L HA -0.284 4.058 4.340 0.004 0.000 0.222 394 L C 2.857 179.554 176.870 -0.287 0.000 1.078 394 L CA 2.123 56.789 54.840 -0.290 0.000 0.778 394 L CB -0.557 41.356 42.059 -0.243 0.000 0.893 394 L HN 0.352 nan 8.230 nan 0.000 0.436 395 R N -0.321 120.021 120.500 -0.263 0.000 2.189 395 R HA -0.043 4.299 4.340 0.004 0.000 0.218 395 R C 1.285 177.407 176.300 -0.297 0.000 1.074 395 R CA 0.645 56.592 56.100 -0.255 0.000 0.991 395 R CB -0.190 29.981 30.300 -0.214 0.000 0.883 395 R HN 0.489 nan 8.270 nan 0.000 0.457 396 N N -0.015 118.418 118.700 -0.446 0.000 2.268 396 N HA 0.027 4.769 4.740 0.004 0.000 0.204 396 N C 0.392 175.805 175.510 -0.162 0.000 1.124 396 N CA 0.584 53.393 53.050 -0.401 0.000 0.838 396 N CB 1.357 39.343 38.487 -0.836 0.000 0.994 396 N HN 0.280 nan 8.380 nan 0.000 0.489 397 G N 2.157 110.878 108.800 -0.132 0.000 2.225 397 G HA2 -0.287 3.676 3.960 0.004 0.000 0.267 397 G HA3 -0.287 3.676 3.960 0.004 0.000 0.267 397 G C -0.159 174.812 174.900 0.119 0.000 1.024 397 G CA 1.036 46.116 45.100 -0.033 0.000 0.784 397 G HN 0.631 nan 8.290 nan 0.000 0.507 398 E N -1.712 118.620 120.200 0.220 0.000 2.416 398 E HA 0.632 4.984 4.350 0.004 0.000 0.280 398 E C -0.951 175.865 176.600 0.360 0.000 1.055 398 E CA -1.376 55.210 56.400 0.309 0.000 0.825 398 E CB 0.791 30.638 29.700 0.245 0.000 1.312 398 E HN 0.218 nan 8.360 nan 0.000 0.452 399 L N 1.925 123.226 121.223 0.130 0.000 2.265 399 L HA 0.494 4.836 4.340 0.004 0.000 0.289 399 L C -2.123 174.731 176.870 -0.027 0.000 1.033 399 L CA -1.950 52.874 54.840 -0.027 0.000 0.814 399 L CB 1.056 42.885 42.059 -0.383 0.000 1.203 399 L HN 0.425 nan 8.230 nan 0.000 0.423 400 P HA 0.154 nan 4.420 nan 0.000 0.274 400 P C -0.636 176.605 177.300 -0.099 0.000 1.256 400 P CA -0.471 62.591 63.100 -0.065 0.000 0.795 400 P CB 0.862 32.502 31.700 -0.099 0.000 1.038 401 A N 0.866 123.613 122.820 -0.121 0.000 2.304 401 A HA 0.541 4.863 4.320 0.004 0.000 0.271 401 A C 0.446 177.975 177.584 -0.092 0.000 1.091 401 A CA -0.125 51.844 52.037 -0.112 0.000 0.812 401 A CB -0.512 18.415 19.000 -0.122 0.000 1.056 401 A HN 0.598 nan 8.150 nan 0.000 0.489 402 T N 0.155 114.668 114.554 -0.069 0.000 2.927 402 T HA 0.666 5.018 4.350 0.004 0.000 0.281 402 T C 0.052 174.673 174.700 -0.131 0.000 0.998 402 T CA -0.593 61.471 62.100 -0.060 0.000 1.019 402 T CB 0.675 69.557 68.868 0.023 0.000 1.061 402 T HN 0.441 nan 8.240 nan 0.000 0.518 403 L N 0.927 122.017 121.223 -0.223 0.000 2.304 403 L HA 0.511 4.853 4.340 0.004 0.000 0.268 403 L C 0.131 176.698 176.870 -0.505 0.000 1.010 403 L CA -1.458 53.090 54.840 -0.488 0.000 0.813 403 L CB 0.570 42.148 42.059 -0.802 0.000 1.315 403 L HN 0.856 nan 8.230 nan 0.000 0.445 404 H N -0.017 119.035 119.070 -0.031 0.000 2.756 404 H HA -0.085 4.473 4.556 0.003 0.000 0.315 404 H C 0.171 175.481 175.328 -0.030 0.000 1.210 404 H CA 0.769 56.798 56.048 -0.031 0.000 1.150 404 H CB -1.841 27.901 29.762 -0.034 0.000 1.463 404 H HN 0.511 nan 8.280 nan 0.000 0.427 405 V N -3.742 116.168 119.914 -0.006 0.000 3.166 405 V HA 0.178 4.300 4.120 0.004 0.000 0.332 405 V C 1.595 177.658 176.094 -0.051 0.000 1.434 405 V CA 0.157 62.440 62.300 -0.029 0.000 1.121 405 V CB 0.874 32.661 31.823 -0.060 0.000 1.062 405 V HN 0.263 nan 8.190 nan 0.000 0.489 406 E N 1.831 122.013 120.200 -0.030 0.000 2.164 406 E HA -0.243 4.110 4.350 0.004 0.000 0.206 406 E C 0.994 177.570 176.600 -0.041 0.000 1.032 406 E CA 2.087 58.468 56.400 -0.032 0.000 0.832 406 E CB 0.256 29.948 29.700 -0.013 0.000 0.742 406 E HN 0.876 nan 8.360 nan 0.000 0.460 407 E N 0.297 120.475 120.200 -0.037 0.000 2.218 407 E HA 0.209 4.561 4.350 0.004 0.000 0.263 407 E C -2.622 173.939 176.600 -0.065 0.000 0.879 407 E CA -2.629 53.742 56.400 -0.047 0.000 0.762 407 E CB 1.684 31.373 29.700 -0.018 0.000 1.166 407 E HN -0.148 nan 8.360 nan 0.000 0.415 408 P HA -0.023 nan 4.420 nan 0.000 0.272 408 P C -0.023 177.298 177.300 0.036 0.000 1.230 408 P CA -0.272 62.690 63.100 -0.229 0.000 0.788 408 P CB 0.766 32.009 31.700 -0.761 0.000 0.949 409 T N 2.282 116.975 114.554 0.232 0.000 2.934 409 T HA 0.071 4.423 4.350 0.004 0.000 0.306 409 T C -1.464 173.435 174.700 0.332 0.000 1.042 409 T CA -0.932 61.361 62.100 0.322 0.000 1.145 409 T CB -0.473 68.660 68.868 0.443 0.000 0.982 409 T HN 0.286 nan 8.240 nan 0.000 0.544 410 P HA 0.095 nan 4.420 nan 0.000 0.245 410 P C 0.012 177.221 177.300 -0.152 0.000 1.212 410 P CA 0.631 63.694 63.100 -0.062 0.000 0.774 410 P CB -0.134 31.435 31.700 -0.218 0.000 0.999 411 H N -1.561 117.592 119.070 0.138 0.000 2.537 411 H HA 0.304 4.862 4.556 0.003 0.000 0.295 411 H C 0.032 175.351 175.328 -0.016 0.000 1.054 411 H CA -0.236 55.847 56.048 0.060 0.000 1.156 411 H CB -0.008 29.790 29.762 0.060 0.000 1.468 411 H HN -0.103 nan 8.280 nan 0.000 0.551 412 V N 1.407 121.316 119.914 -0.008 0.000 2.888 412 V HA 0.060 4.182 4.120 0.004 0.000 0.309 412 V C -0.707 175.151 176.094 -0.395 0.000 1.114 412 V CA -1.285 60.809 62.300 -0.344 0.000 0.940 412 V CB 2.590 33.947 31.823 -0.776 0.000 1.021 412 V HN 0.381 nan 8.190 nan 0.000 0.426 413 D N 2.269 122.454 120.400 -0.357 0.000 2.393 413 D HA 0.072 4.715 4.640 0.004 0.000 0.232 413 D C 0.007 176.154 176.300 -0.256 0.000 1.192 413 D CA -0.295 53.581 54.000 -0.207 0.000 0.882 413 D CB 0.930 41.659 40.800 -0.117 0.000 1.038 413 D HN 0.542 nan 8.370 nan 0.000 0.499 414 W N 2.034 123.325 121.300 -0.015 0.000 2.539 414 W HA -0.090 4.572 4.660 0.003 0.000 0.315 414 W C 2.728 179.224 176.519 -0.039 0.000 1.148 414 W CA 0.815 58.142 57.345 -0.029 0.000 1.403 414 W CB -0.701 28.746 29.460 -0.021 0.000 1.168 414 W HN 0.439 nan 8.180 nan 0.000 0.489 415 S N 0.188 116.022 115.700 0.223 0.000 2.595 415 S HA -0.018 4.454 4.470 0.004 0.000 0.235 415 S C 0.439 175.070 174.600 0.051 0.000 0.974 415 S CA 0.368 58.632 58.200 0.106 0.000 0.942 415 S CB -1.136 62.111 63.200 0.080 0.000 0.766 415 S HN 0.063 nan 8.310 nan 0.000 0.536 416 S N 1.209 116.931 115.700 0.037 0.000 2.520 416 S HA 0.736 5.209 4.470 0.004 0.000 0.324 416 S C 0.393 174.980 174.600 -0.023 0.000 1.069 416 S CA -0.410 57.790 58.200 -0.000 0.000 1.121 416 S CB 0.542 63.735 63.200 -0.011 0.000 0.971 416 S HN 1.216 nan 8.310 nan 0.000 0.463 417 G N 1.369 110.155 108.800 -0.023 0.000 2.699 417 G HA2 0.264 4.226 3.960 0.004 0.000 0.686 417 G HA3 0.264 4.226 3.960 0.004 0.000 0.686 417 G C -0.027 174.853 174.900 -0.034 0.000 1.301 417 G CA -0.649 44.430 45.100 -0.035 0.000 0.816 417 G HN 1.354 nan 8.290 nan 0.000 0.595 418 G N -0.674 108.100 108.800 -0.044 0.000 4.649 418 G HA2 0.644 4.606 3.960 0.004 0.000 0.312 418 G HA3 0.644 4.606 3.960 0.004 0.000 0.312 418 G C -0.387 174.459 174.900 -0.090 0.000 1.403 418 G CA 0.247 45.304 45.100 -0.072 0.000 1.248 418 G HN 1.323 nan 8.290 nan 0.000 0.581 419 V N 0.597 120.480 119.914 -0.052 0.000 2.577 419 V HA 0.782 4.904 4.120 0.004 0.000 0.303 419 V C -0.278 175.846 176.094 0.050 0.000 1.042 419 V CA -0.791 61.489 62.300 -0.033 0.000 0.872 419 V CB 1.736 33.565 31.823 0.010 0.000 0.998 419 V HN 0.670 nan 8.190 nan 0.000 0.423 420 A N 5.780 128.554 122.820 -0.077 0.000 2.375 420 A HA 0.788 5.110 4.320 0.004 0.000 0.291 420 A C -0.709 176.890 177.584 0.026 0.000 1.160 420 A CA -0.497 51.488 52.037 -0.086 0.000 0.747 420 A CB 0.694 19.468 19.000 -0.377 0.000 1.170 420 A HN 0.801 nan 8.150 nan 0.000 0.458 421 L N 1.611 122.802 121.223 -0.053 0.000 2.506 421 L HA 0.059 4.402 4.340 0.004 0.000 0.281 421 L C 0.482 177.421 176.870 0.116 0.000 1.228 421 L CA 0.086 54.895 54.840 -0.052 0.000 0.850 421 L CB 0.471 42.385 42.059 -0.243 0.000 1.110 421 L HN 0.651 nan 8.230 nan 0.000 0.496 422 L N 3.438 124.723 121.223 0.104 0.000 2.533 422 L HA 0.091 4.433 4.340 0.004 0.000 0.239 422 L C 1.544 178.398 176.870 -0.026 0.000 1.376 422 L CA -0.163 54.710 54.840 0.055 0.000 1.240 422 L CB 0.025 42.068 42.059 -0.028 0.000 1.487 422 L HN 0.879 nan 8.230 nan 0.000 0.419 423 A N 0.927 123.739 122.820 -0.014 0.000 1.986 423 A HA -0.001 4.321 4.320 0.004 0.000 0.220 423 A C 1.272 178.813 177.584 -0.071 0.000 1.171 423 A CA 1.598 53.605 52.037 -0.050 0.000 0.640 423 A CB -0.303 18.671 19.000 -0.043 0.000 0.811 423 A HN 0.567 nan 8.150 nan 0.000 0.451 424 G N -1.279 107.469 108.800 -0.088 0.000 3.042 424 G HA2 0.451 4.413 3.960 0.004 0.000 0.278 424 G HA3 0.451 4.413 3.960 0.004 0.000 0.278 424 G C -0.677 174.123 174.900 -0.167 0.000 1.371 424 G CA -0.401 44.630 45.100 -0.114 0.000 1.009 424 G HN 0.588 nan 8.290 nan 0.000 0.523 425 N N -0.149 118.459 118.700 -0.154 0.000 2.514 425 N HA 0.392 5.134 4.740 0.004 0.000 0.277 425 N C -0.473 174.907 175.510 -0.216 0.000 1.126 425 N CA -0.328 52.622 53.050 -0.167 0.000 0.978 425 N CB 1.215 39.638 38.487 -0.106 0.000 1.106 425 N HN 0.247 nan 8.380 nan 0.000 0.461 426 Q N 1.193 120.808 119.800 -0.308 0.000 2.345 426 Q HA 0.464 4.806 4.340 0.004 0.000 0.268 426 Q C -2.552 173.347 176.000 -0.168 0.000 1.054 426 Q CA -1.964 53.617 55.803 -0.370 0.000 0.835 426 Q CB 1.639 29.864 28.738 -0.855 0.000 1.339 426 Q HN 0.561 nan 8.270 nan 0.000 0.447 427 P HA 0.026 nan 4.420 nan 0.000 0.268 427 P C -0.842 176.546 177.300 0.147 0.000 1.205 427 P CA 0.051 63.178 63.100 0.046 0.000 0.771 427 P CB 0.368 32.094 31.700 0.043 0.000 0.858 428 W N 4.701 125.970 121.300 -0.052 0.000 2.073 428 W HA 0.365 5.027 4.660 0.003 0.000 0.295 428 W C -0.929 175.576 176.519 -0.022 0.000 1.005 428 W CA -0.489 56.836 57.345 -0.034 0.000 1.451 428 W CB 0.440 29.873 29.460 -0.046 0.000 1.515 428 W HN 0.215 nan 8.180 nan 0.000 0.341 429 R N 2.012 122.519 120.500 0.012 0.000 2.664 429 R HA 0.523 4.866 4.340 0.004 0.000 0.286 429 R C 0.473 176.697 176.300 -0.126 0.000 0.967 429 R CA -1.104 54.953 56.100 -0.073 0.000 0.933 429 R CB 1.488 31.780 30.300 -0.012 0.000 1.146 429 R HN 0.066 nan 8.270 nan 0.000 0.468 430 R N 1.333 121.743 120.500 -0.150 0.000 2.501 430 R HA -0.034 4.308 4.340 0.004 0.000 0.319 430 R C 0.159 176.417 176.300 -0.069 0.000 0.913 430 R CA 0.773 56.798 56.100 -0.126 0.000 1.104 430 R CB 0.148 30.383 30.300 -0.107 0.000 0.901 430 R HN 0.838 nan 8.270 nan 0.000 0.407 431 G N 1.831 110.598 108.800 -0.055 0.000 3.195 431 G HA2 0.093 4.055 3.960 0.004 0.000 0.217 431 G HA3 0.093 4.055 3.960 0.004 0.000 0.217 431 G C 0.105 174.996 174.900 -0.016 0.000 1.166 431 G CA -0.447 44.640 45.100 -0.021 0.000 0.812 431 G HN 0.502 nan 8.290 nan 0.000 0.617 432 E N -0.340 119.860 120.200 0.001 0.000 2.112 432 E HA 0.027 4.380 4.350 0.004 0.000 0.190 432 E C 1.002 177.607 176.600 0.007 0.000 0.979 432 E CA 0.250 56.653 56.400 0.004 0.000 0.814 432 E CB 0.291 29.998 29.700 0.013 0.000 0.762 432 E HN 0.067 nan 8.360 nan 0.000 0.460 433 R N 2.206 122.716 120.500 0.017 0.000 2.308 433 R HA 0.137 4.479 4.340 0.004 0.000 0.305 433 R C -0.641 175.667 176.300 0.014 0.000 1.053 433 R CA 0.056 56.174 56.100 0.030 0.000 0.957 433 R CB 0.886 31.222 30.300 0.060 0.000 1.022 433 R HN -0.074 nan 8.270 nan 0.000 0.461 434 T N 4.671 119.234 114.554 0.016 0.000 2.930 434 T HA 0.128 4.480 4.350 0.004 0.000 0.306 434 T C 0.474 175.177 174.700 0.006 0.000 1.045 434 T CA 0.072 62.169 62.100 -0.006 0.000 1.134 434 T CB 0.463 69.335 68.868 0.006 0.000 0.961 434 T HN 0.344 nan 8.240 nan 0.000 0.545 435 R N 2.432 122.884 120.500 -0.080 0.000 2.254 435 R HA 0.554 4.896 4.340 0.004 0.000 0.318 435 R C 0.212 176.528 176.300 0.027 0.000 1.031 435 R CA -0.380 55.658 56.100 -0.103 0.000 0.905 435 R CB 0.881 30.814 30.300 -0.610 0.000 1.050 435 R HN 0.524 nan 8.270 nan 0.000 0.456 436 R N 1.016 121.670 120.500 0.258 0.000 2.740 436 R HA 0.739 5.081 4.340 0.004 0.000 0.273 436 R C -1.532 174.997 176.300 0.383 0.000 0.998 436 R CA -0.801 55.456 56.100 0.261 0.000 0.900 436 R CB 2.444 32.846 30.300 0.169 0.000 1.223 436 R HN 0.680 nan 8.270 nan 0.000 0.466 437 A N 0.779 123.767 122.820 0.281 0.000 2.610 437 A HA 0.874 5.196 4.320 0.004 0.000 0.291 437 A C -1.861 175.767 177.584 0.073 0.000 1.086 437 A CA -0.484 51.648 52.037 0.159 0.000 0.677 437 A CB 1.925 21.032 19.000 0.178 0.000 1.278 437 A HN 0.729 nan 8.150 nan 0.000 0.414 438 A N -0.120 122.688 122.820 -0.020 0.000 2.454 438 A HA 0.814 5.137 4.320 0.004 0.000 0.302 438 A C -1.186 176.298 177.584 -0.166 0.000 1.079 438 A CA -0.551 51.412 52.037 -0.123 0.000 0.731 438 A CB 1.563 20.469 19.000 -0.158 0.000 1.299 438 A HN 1.608 nan 8.150 nan 0.000 0.413 439 V N 1.490 121.253 119.914 -0.250 0.000 2.604 439 V HA 0.735 4.858 4.120 0.004 0.000 0.305 439 V C 0.143 176.119 176.094 -0.197 0.000 1.043 439 V CA -0.198 62.017 62.300 -0.141 0.000 0.888 439 V CB 1.677 33.462 31.823 -0.064 0.000 0.995 439 V HN 1.206 nan 8.190 nan 0.000 0.429 440 S N 3.022 118.660 115.700 -0.103 0.000 2.542 440 S HA 0.969 5.441 4.470 0.004 0.000 0.293 440 S C -0.671 173.673 174.600 -0.427 0.000 1.089 440 S CA -0.289 57.821 58.200 -0.150 0.000 0.961 440 S CB 2.258 65.554 63.200 0.159 0.000 1.062 440 S HN 1.624 nan 8.310 nan 0.000 0.483 441 A N 1.858 124.296 122.820 -0.637 0.000 2.459 441 A HA 0.777 5.099 4.320 0.004 0.000 0.296 441 A C -1.735 175.413 177.584 -0.728 0.000 1.039 441 A CA -0.684 50.980 52.037 -0.621 0.000 0.698 441 A CB 0.762 19.648 19.000 -0.190 0.000 1.261 441 A HN 0.771 nan 8.150 nan 0.000 0.405 442 F N 1.664 121.198 119.950 -0.694 0.000 2.716 442 F HA 0.560 5.089 4.527 0.002 0.000 0.354 442 F C 0.834 176.455 175.800 -0.297 0.000 1.168 442 F CA -1.002 56.748 58.000 -0.416 0.000 1.045 442 F CB 1.496 40.327 39.000 -0.282 0.000 1.311 442 F HN 0.755 nan 8.300 nan 0.000 0.477 443 G N 2.365 111.207 108.800 0.071 0.000 2.599 443 G HA2 0.313 4.275 3.960 0.004 0.000 0.264 443 G HA3 0.313 4.275 3.960 0.004 0.000 0.264 443 G C 1.157 176.153 174.900 0.160 0.000 1.200 443 G CA -0.545 44.630 45.100 0.125 0.000 0.896 443 G HN 0.756 nan 8.290 nan 0.000 0.536 444 I N 0.029 120.709 120.570 0.182 0.000 2.756 444 I HA -0.093 4.079 4.170 0.004 0.000 0.262 444 I C 1.884 178.069 176.117 0.114 0.000 1.225 444 I CA 2.021 63.426 61.300 0.176 0.000 1.472 444 I CB -0.782 37.340 38.000 0.203 0.000 1.094 444 I HN 0.392 nan 8.210 nan 0.000 0.454 445 S N 0.711 116.464 115.700 0.087 0.000 2.561 445 S HA 0.237 4.709 4.470 0.004 0.000 0.225 445 S C 1.693 176.324 174.600 0.052 0.000 0.977 445 S CA 0.467 58.702 58.200 0.058 0.000 0.926 445 S CB -0.389 62.836 63.200 0.041 0.000 0.769 445 S HN 0.894 nan 8.310 nan 0.000 0.533 446 G N 0.085 108.924 108.800 0.065 0.000 2.141 446 G HA2 -0.193 3.769 3.960 0.004 0.000 0.231 446 G HA3 -0.193 3.769 3.960 0.004 0.000 0.231 446 G C 0.056 174.981 174.900 0.041 0.000 0.984 446 G CA 0.073 45.202 45.100 0.048 0.000 0.660 446 G HN 0.583 nan 8.290 nan 0.000 0.525 447 T N 1.769 116.356 114.554 0.054 0.000 2.799 447 T HA 0.589 4.941 4.350 0.004 0.000 0.286 447 T C -0.129 174.626 174.700 0.090 0.000 0.973 447 T CA -0.409 61.721 62.100 0.049 0.000 1.035 447 T CB 1.082 69.971 68.868 0.035 0.000 0.932 447 T HN 0.278 nan 8.240 nan 0.000 0.469 448 N N 1.407 120.170 118.700 0.105 0.000 2.269 448 N HA 0.738 5.480 4.740 0.004 0.000 0.304 448 N C -0.907 174.710 175.510 0.178 0.000 1.072 448 N CA -0.589 52.604 53.050 0.238 0.000 0.802 448 N CB 2.149 40.761 38.487 0.208 0.000 1.348 448 N HN 0.716 nan 8.380 nan 0.000 0.484 449 A N 0.552 123.500 122.820 0.214 0.000 2.423 449 A HA 0.710 5.032 4.320 0.004 0.000 0.304 449 A C -1.435 176.305 177.584 0.260 0.000 1.104 449 A CA -0.404 51.721 52.037 0.147 0.000 0.757 449 A CB 1.284 20.321 19.000 0.061 0.000 1.313 449 A HN 0.838 nan 8.150 nan 0.000 0.423 450 H N -0.400 118.739 119.070 0.115 0.000 3.240 450 H HA 0.515 5.072 4.556 0.002 0.000 0.329 450 H C -1.923 173.482 175.328 0.129 0.000 1.024 450 H CA -0.187 55.945 56.048 0.139 0.000 1.487 450 H CB 1.281 31.163 29.762 0.200 0.000 1.909 450 H HN 0.479 nan 8.280 nan 0.000 0.465 451 V N 6.624 126.455 119.914 -0.139 0.000 2.581 451 V HA 0.404 4.526 4.120 0.004 0.000 0.303 451 V C 0.165 176.206 176.094 -0.087 0.000 1.041 451 V CA -0.666 61.613 62.300 -0.035 0.000 0.907 451 V CB 1.723 33.543 31.823 -0.004 0.000 0.994 451 V HN 0.657 nan 8.190 nan 0.000 0.442 452 I N 4.308 124.892 120.570 0.023 0.000 2.339 452 I HA 0.459 4.631 4.170 0.004 0.000 0.290 452 I C -0.473 175.675 176.117 0.052 0.000 0.994 452 I CA -0.496 60.836 61.300 0.054 0.000 1.191 452 I CB 1.770 39.843 38.000 0.121 0.000 1.343 452 I HN 0.278 nan 8.210 nan 0.000 0.458 453 V N 5.873 125.822 119.914 0.058 0.000 2.581 453 V HA 0.453 4.575 4.120 0.004 0.000 0.303 453 V C -0.224 175.913 176.094 0.073 0.000 1.041 453 V CA -0.591 61.744 62.300 0.059 0.000 0.907 453 V CB 1.925 33.787 31.823 0.064 0.000 0.994 453 V HN 0.724 nan 8.190 nan 0.000 0.442 454 E N 1.977 122.199 120.200 0.037 0.000 2.266 454 E HA 0.441 4.793 4.350 0.004 0.000 0.268 454 E C -0.642 175.935 176.600 -0.038 0.000 0.879 454 E CA -0.772 55.637 56.400 0.014 0.000 0.762 454 E CB 1.816 31.526 29.700 0.016 0.000 1.199 454 E HN 0.880 nan 8.360 nan 0.000 0.422 455 E N 1.771 121.912 120.200 -0.098 0.000 2.442 455 E HA 0.249 4.601 4.350 0.004 0.000 0.262 455 E C -0.269 176.278 176.600 -0.089 0.000 1.004 455 E CA -0.297 56.018 56.400 -0.142 0.000 0.928 455 E CB 0.525 30.097 29.700 -0.214 0.000 0.937 455 E HN 0.482 nan 8.360 nan 0.000 0.446 456 A N 3.877 126.647 122.820 -0.084 0.000 2.547 456 A HA 0.181 4.503 4.320 0.004 0.000 0.233 456 A C -1.969 175.578 177.584 -0.061 0.000 1.067 456 A CA -0.939 51.062 52.037 -0.061 0.000 0.763 456 A CB -0.492 18.473 19.000 -0.059 0.000 1.007 456 A HN 0.565 nan 8.150 nan 0.000 0.506 457 P HA 0.329 nan 4.420 nan 0.000 0.274 457 P C -0.440 176.834 177.300 -0.043 0.000 1.237 457 P CA -0.331 62.745 63.100 -0.040 0.000 0.793 457 P CB 0.411 32.094 31.700 -0.028 0.000 0.977 458 E N 1.000 121.175 120.200 -0.041 0.000 2.408 458 E HA 0.110 4.462 4.350 0.004 0.000 0.259 458 E C 0.728 177.308 176.600 -0.034 0.000 1.110 458 E CA -0.070 56.305 56.400 -0.042 0.000 0.929 458 E CB 0.217 29.894 29.700 -0.038 0.000 0.971 458 E HN 0.207 nan 8.360 nan 0.000 0.438 465 T N 2.672 117.165 114.554 -0.100 0.000 3.235 465 T HA 0.381 4.733 4.350 0.004 0.000 0.211 465 T C 1.049 175.682 174.700 -0.111 0.000 0.983 465 T CA 1.394 63.442 62.100 -0.087 0.000 2.783 465 T CB -2.109 66.737 68.868 -0.037 0.000 1.023 465 T HN 2.234 nan 8.240 nan 0.000 0.506 466 A N 2.861 125.563 122.820 -0.197 0.000 4.207 466 A HA -0.019 4.303 4.320 0.004 0.000 0.604 466 A C 0.534 178.038 177.584 -0.133 0.000 0.810 466 A CA 1.315 53.246 52.037 -0.177 0.000 0.449 466 A CB -1.350 17.627 19.000 -0.039 0.000 3.445 466 A HN 1.418 nan 8.150 nan 0.000 0.518 467 H N -2.256 116.820 119.070 0.010 0.000 5.058 467 H HA 0.197 4.755 4.556 0.004 0.000 0.096 467 H C -0.081 175.249 175.328 0.005 0.000 1.296 467 H CA -0.243 55.809 56.048 0.006 0.000 0.820 467 H CB -0.184 29.577 29.762 -0.001 0.000 1.363 467 H HN 0.609 nan 8.280 nan 0.000 0.112 468 D N 1.475 121.935 120.400 0.100 0.000 2.346 468 D HA 0.361 5.004 4.640 0.004 0.000 0.249 468 D C 1.045 177.340 176.300 -0.008 0.000 1.308 468 D CA 1.579 55.530 54.000 -0.082 0.000 0.987 468 D CB -0.064 40.573 40.800 -0.272 0.000 1.114 468 D HN 0.850 nan 8.370 nan 0.000 0.529 469 G N -0.406 108.375 108.800 -0.031 0.000 2.870 469 G HA2 -0.110 3.852 3.960 0.004 0.000 0.685 469 G HA3 -0.110 3.852 3.960 0.004 0.000 0.685 469 G C -0.350 174.553 174.900 0.005 0.000 1.556 469 G CA 0.404 45.498 45.100 -0.009 0.000 1.042 469 G HN 0.755 nan 8.290 nan 0.000 0.592 470 R N -0.358 120.147 120.500 0.009 0.000 6.721 470 R HA -0.057 4.285 4.340 0.004 0.000 0.297 470 R C -2.975 173.338 176.300 0.022 0.000 0.901 470 R CA 0.095 56.209 56.100 0.023 0.000 1.658 470 R CB -0.560 29.762 30.300 0.037 0.000 1.863 470 R HN 0.706 nan 8.270 nan 0.000 0.858 471 P HA 0.192 nan 4.420 nan 0.000 0.276 471 P C -1.251 176.075 177.300 0.043 0.000 1.230 471 P CA -0.475 62.643 63.100 0.030 0.000 0.776 471 P CB 1.175 32.899 31.700 0.041 0.000 0.888 472 V N 4.118 124.045 119.914 0.020 0.000 2.482 472 V HA 0.536 4.659 4.120 0.004 0.000 0.295 472 V C -2.824 173.254 176.094 -0.028 0.000 1.026 472 V CA -2.811 59.500 62.300 0.018 0.000 0.856 472 V CB 2.060 33.886 31.823 0.004 0.000 1.001 472 V HN 0.339 nan 8.190 nan 0.000 0.424 473 P HA 0.394 nan 4.420 nan 0.000 0.276 473 P C -0.953 176.187 177.300 -0.267 0.000 1.243 473 P CA 0.060 63.034 63.100 -0.210 0.000 0.768 473 P CB 0.574 32.057 31.700 -0.363 0.000 0.856 474 L N 3.769 124.841 121.223 -0.251 0.000 2.305 474 L HA 0.559 4.901 4.340 0.004 0.000 0.284 474 L C -0.127 176.588 176.870 -0.259 0.000 1.013 474 L CA -0.960 53.753 54.840 -0.212 0.000 0.819 474 L CB 1.994 43.978 42.059 -0.126 0.000 1.227 474 L HN 0.129 nan 8.230 nan 0.000 0.417 475 V N 5.517 125.265 119.914 -0.278 0.000 2.448 475 V HA 0.647 4.769 4.120 0.004 0.000 0.295 475 V C -0.352 175.691 176.094 -0.085 0.000 1.025 475 V CA -0.430 61.745 62.300 -0.209 0.000 0.859 475 V CB 2.209 33.861 31.823 -0.285 0.000 0.988 475 V HN 0.486 nan 8.190 nan 0.000 0.431 476 V N 4.084 123.975 119.914 -0.039 0.000 2.815 476 V HA 1.044 5.166 4.120 0.004 0.000 0.314 476 V C -0.321 175.798 176.094 0.043 0.000 1.064 476 V CA -0.002 62.299 62.300 0.002 0.000 0.952 476 V CB 1.775 33.590 31.823 -0.014 0.000 1.020 476 V HN 1.195 nan 8.190 nan 0.000 0.439 477 S N 1.509 117.266 115.700 0.095 0.000 2.638 477 S HA 1.034 5.506 4.470 0.004 0.000 0.274 477 S C -0.531 174.242 174.600 0.289 0.000 1.157 477 S CA -0.253 58.048 58.200 0.168 0.000 0.826 477 S CB 1.728 65.025 63.200 0.161 0.000 1.139 477 S HN 2.674 nan 8.310 nan 0.000 0.474 478 A N 0.507 123.540 122.820 0.356 0.000 2.567 478 A HA 0.701 5.023 4.320 0.004 0.000 0.291 478 A C -0.190 177.569 177.584 0.290 0.000 1.048 478 A CA -0.875 51.404 52.037 0.403 0.000 0.661 478 A CB 0.709 19.788 19.000 0.132 0.000 1.288 478 A HN 0.765 nan 8.150 nan 0.000 0.424 479 R N 0.154 120.766 120.500 0.187 0.000 2.310 479 R HA 0.176 4.518 4.340 0.004 0.000 0.202 479 R C 0.346 176.719 176.300 0.121 0.000 0.933 479 R CA 1.083 57.229 56.100 0.078 0.000 1.054 479 R CB 0.063 30.226 30.300 -0.228 0.000 0.985 479 R HN 0.838 nan 8.270 nan 0.000 0.489 480 S N -2.727 112.951 115.700 -0.037 0.000 2.607 480 S HA 0.234 4.706 4.470 0.004 0.000 0.273 480 S C 0.661 174.937 174.600 -0.539 0.000 1.148 480 S CA -0.860 57.136 58.200 -0.341 0.000 0.833 480 S CB 1.877 64.997 63.200 -0.134 0.000 1.130 480 S HN -0.132 nan 8.310 nan 0.000 0.470 481 T N 1.683 115.858 114.554 -0.632 0.000 2.684 481 T HA -0.082 4.270 4.350 0.004 0.000 0.267 481 T C 2.170 176.753 174.700 -0.196 0.000 1.036 481 T CA 2.183 64.061 62.100 -0.369 0.000 1.148 481 T CB -0.961 67.771 68.868 -0.226 0.000 0.863 481 T HN 0.900 nan 8.240 nan 0.000 0.436 482 A N 1.342 124.068 122.820 -0.157 0.000 1.902 482 A HA 0.121 4.444 4.320 0.004 0.000 0.217 482 A C 2.642 180.147 177.584 -0.132 0.000 1.181 482 A CA 1.945 53.914 52.037 -0.113 0.000 0.623 482 A CB -1.134 17.815 19.000 -0.084 0.000 0.818 482 A HN 0.519 nan 8.150 nan 0.000 0.443 483 A N -0.511 122.220 122.820 -0.148 0.000 1.933 483 A HA -0.069 4.253 4.320 0.004 0.000 0.218 483 A C 2.216 179.676 177.584 -0.207 0.000 1.175 483 A CA 1.506 53.417 52.037 -0.210 0.000 0.628 483 A CB -0.554 18.360 19.000 -0.143 0.000 0.814 483 A HN 0.549 nan 8.150 nan 0.000 0.444 484 L N -0.924 120.220 121.223 -0.132 0.000 2.027 484 L HA -0.177 4.165 4.340 0.004 0.000 0.206 484 L C 2.833 179.649 176.870 -0.091 0.000 1.074 484 L CA 1.427 56.219 54.840 -0.080 0.000 0.745 484 L CB -0.322 41.723 42.059 -0.023 0.000 0.898 484 L HN 0.385 nan 8.230 nan 0.000 0.433 485 R N -0.324 120.121 120.500 -0.093 0.000 2.091 485 R HA -0.197 4.145 4.340 0.004 0.000 0.238 485 R C 2.278 178.522 176.300 -0.094 0.000 1.136 485 R CA 1.499 57.551 56.100 -0.080 0.000 0.959 485 R CB -0.539 29.718 30.300 -0.072 0.000 0.856 485 R HN 0.469 nan 8.270 nan 0.000 0.437 486 A N 0.833 123.577 122.820 -0.126 0.000 1.873 486 A HA -0.227 4.095 4.320 0.004 0.000 0.215 486 A C 2.143 179.633 177.584 -0.156 0.000 1.186 486 A CA 1.430 53.382 52.037 -0.141 0.000 0.616 486 A CB -0.462 18.430 19.000 -0.179 0.000 0.823 486 A HN 0.243 nan 8.150 nan 0.000 0.442 487 Q N 0.302 119.984 119.800 -0.197 0.000 2.135 487 Q HA -0.077 4.266 4.340 0.004 0.000 0.204 487 Q C 1.938 177.875 176.000 -0.105 0.000 0.981 487 Q CA 2.392 58.086 55.803 -0.183 0.000 0.856 487 Q CB -0.691 27.923 28.738 -0.207 0.000 0.902 487 Q HN 0.535 nan 8.270 nan 0.000 0.425 488 A N 0.261 123.031 122.820 -0.084 0.000 1.933 488 A HA 0.004 4.327 4.320 0.004 0.000 0.218 488 A C 2.301 179.851 177.584 -0.057 0.000 1.175 488 A CA 1.884 53.885 52.037 -0.061 0.000 0.628 488 A CB -1.135 17.834 19.000 -0.051 0.000 0.814 488 A HN 0.555 nan 8.150 nan 0.000 0.444 489 A N 0.386 123.168 122.820 -0.064 0.000 1.898 489 A HA -0.180 4.142 4.320 0.004 0.000 0.216 489 A C 2.187 179.743 177.584 -0.047 0.000 1.181 489 A CA 1.651 53.656 52.037 -0.053 0.000 0.620 489 A CB -0.698 18.269 19.000 -0.055 0.000 0.819 489 A HN 0.772 nan 8.150 nan 0.000 0.442 490 Q N -0.680 119.086 119.800 -0.057 0.000 2.224 490 Q HA -0.080 4.262 4.340 0.004 0.000 0.203 490 Q C 1.653 177.638 176.000 -0.025 0.000 0.970 490 Q CA 1.436 57.214 55.803 -0.042 0.000 0.865 490 Q CB -0.350 28.355 28.738 -0.055 0.000 0.922 490 Q HN 0.495 nan 8.270 nan 0.000 0.445 491 I N 1.466 122.017 120.570 -0.032 0.000 2.406 491 I HA -0.075 4.097 4.170 0.004 0.000 0.249 491 I C 2.521 178.623 176.117 -0.025 0.000 1.122 491 I CA 0.996 62.285 61.300 -0.019 0.000 1.431 491 I CB -1.569 36.417 38.000 -0.023 0.000 1.087 491 I HN 0.312 nan 8.210 nan 0.000 0.424 492 A N 2.009 124.809 122.820 -0.033 0.000 1.881 492 A HA -0.273 4.049 4.320 0.004 0.000 0.219 492 A C 2.197 179.765 177.584 -0.026 0.000 1.215 492 A CA 2.486 54.504 52.037 -0.033 0.000 0.648 492 A CB -0.992 17.987 19.000 -0.034 0.000 0.832 492 A HN 0.666 nan 8.150 nan 0.000 0.455 493 E N -0.450 119.738 120.200 -0.020 0.000 2.347 493 E HA -0.006 4.347 4.350 0.004 0.000 0.196 493 E C 1.870 178.471 176.600 0.001 0.000 1.008 493 E CA 0.757 57.151 56.400 -0.011 0.000 0.852 493 E CB -0.315 29.380 29.700 -0.009 0.000 0.783 493 E HN 0.608 nan 8.360 nan 0.000 0.505 494 L N 0.155 121.383 121.223 0.009 0.000 2.072 494 L HA -0.105 4.237 4.340 0.004 0.000 0.205 494 L C 2.073 178.939 176.870 -0.006 0.000 1.079 494 L CA 0.546 55.407 54.840 0.034 0.000 0.752 494 L CB -0.023 42.078 42.059 0.069 0.000 0.906 494 L HN 0.225 nan 8.230 nan 0.000 0.436 495 L N 0.191 121.391 121.223 -0.038 0.000 2.141 495 L HA -0.175 4.168 4.340 0.004 0.000 0.209 495 L C 2.441 179.270 176.870 -0.068 0.000 1.094 495 L CA 1.654 56.447 54.840 -0.078 0.000 0.763 495 L CB -0.809 41.205 42.059 -0.075 0.000 0.908 495 L HN 0.437 nan 8.230 nan 0.000 0.437 496 E N -1.242 118.933 120.200 -0.042 0.000 2.502 496 E HA -0.055 4.297 4.350 0.004 0.000 0.194 496 E C 0.174 176.760 176.600 -0.024 0.000 1.062 496 E CA -0.171 56.208 56.400 -0.035 0.000 0.867 496 E CB -0.091 29.593 29.700 -0.027 0.000 0.888 496 E HN 0.135 nan 8.360 nan 0.000 0.510 497 R N 2.655 123.146 120.500 -0.015 0.000 2.351 497 R HA 0.089 4.431 4.340 0.004 0.000 0.321 497 R C -1.598 174.695 176.300 -0.010 0.000 1.182 497 R CA -2.519 53.583 56.100 0.004 0.000 1.011 497 R CB -0.056 30.267 30.300 0.038 0.000 1.048 497 R HN 0.161 nan 8.270 nan 0.000 0.490 498 P HA -0.152 nan 4.420 nan 0.000 0.223 498 P C 0.751 178.040 177.300 -0.019 0.000 1.151 498 P CA 0.482 63.566 63.100 -0.027 0.000 0.787 498 P CB 0.410 32.100 31.700 -0.018 0.000 0.788 499 D N 1.433 121.842 120.400 0.016 0.000 3.134 499 D HA -0.240 4.402 4.640 0.004 0.000 0.482 499 D C 0.357 176.683 176.300 0.043 0.000 1.049 499 D CA 2.537 56.571 54.000 0.056 0.000 1.379 499 D CB -0.785 40.084 40.800 0.115 0.000 0.865 499 D HN 0.290 nan 8.370 nan 0.000 0.499 500 A N -1.640 121.160 122.820 -0.033 0.000 2.594 500 A HA 0.627 4.949 4.320 0.004 0.000 0.295 500 A C -1.008 176.189 177.584 -0.644 0.000 1.071 500 A CA -0.293 51.632 52.037 -0.186 0.000 0.685 500 A CB 1.765 20.847 19.000 0.138 0.000 1.285 500 A HN 0.288 nan 8.150 nan 0.000 0.405 501 D N -0.494 119.621 120.400 -0.475 0.000 3.374 501 D HA 0.395 5.037 4.640 0.004 0.000 0.259 501 D C 1.263 177.407 176.300 -0.260 0.000 1.376 501 D CA -0.405 53.384 54.000 -0.352 0.000 1.030 501 D CB 0.010 40.697 40.800 -0.189 0.000 1.281 501 D HN 0.303 nan 8.370 nan 0.000 0.637 502 L N 1.035 122.170 121.223 -0.146 0.000 1.976 502 L HA 0.047 4.389 4.340 0.004 0.000 0.209 502 L C 1.979 178.812 176.870 -0.061 0.000 1.071 502 L CA 2.326 57.102 54.840 -0.106 0.000 0.746 502 L CB -1.010 40.999 42.059 -0.083 0.000 0.890 502 L HN 0.444 nan 8.230 nan 0.000 0.432 503 A N -1.033 121.777 122.820 -0.016 0.000 1.969 503 A HA 0.000 4.322 4.320 0.004 0.000 0.218 503 A C 2.301 179.907 177.584 0.036 0.000 1.169 503 A CA 1.276 53.326 52.037 0.021 0.000 0.635 503 A CB -1.413 17.619 19.000 0.053 0.000 0.810 503 A HN 0.526 nan 8.150 nan 0.000 0.445 504 G N -0.278 108.544 108.800 0.036 0.000 2.440 504 G HA2 -0.153 3.809 3.960 0.004 0.000 0.218 504 G HA3 -0.153 3.809 3.960 0.004 0.000 0.218 504 G C 1.496 176.463 174.900 0.112 0.000 1.154 504 G CA 1.357 46.518 45.100 0.102 0.000 0.767 504 G HN 0.318 nan 8.290 nan 0.000 0.552 505 V N 1.611 121.535 119.914 0.017 0.000 2.358 505 V HA -0.049 4.073 4.120 0.004 0.000 0.246 505 V C 3.169 179.278 176.094 0.025 0.000 1.047 505 V CA 1.864 64.186 62.300 0.036 0.000 1.035 505 V CB -1.162 30.628 31.823 -0.054 0.000 0.658 505 V HN 0.438 nan 8.190 nan 0.000 0.452 506 G N 0.314 109.113 108.800 -0.002 0.000 2.529 506 G HA2 -0.312 3.650 3.960 0.004 0.000 0.219 506 G HA3 -0.312 3.650 3.960 0.004 0.000 0.219 506 G C 1.582 176.499 174.900 0.028 0.000 1.177 506 G CA 1.486 46.581 45.100 -0.009 0.000 0.773 506 G HN 0.436 nan 8.290 nan 0.000 0.573 507 L N 1.663 122.925 121.223 0.065 0.000 2.056 507 L HA 0.187 4.530 4.340 0.004 0.000 0.207 507 L C 2.814 179.736 176.870 0.087 0.000 1.078 507 L CA 2.398 57.291 54.840 0.089 0.000 0.749 507 L CB -1.186 40.928 42.059 0.092 0.000 0.901 507 L HN 0.178 nan 8.230 nan 0.000 0.433 508 G N -0.364 108.491 108.800 0.092 0.000 2.418 508 G HA2 -0.247 3.715 3.960 0.004 0.000 0.217 508 G HA3 -0.247 3.715 3.960 0.004 0.000 0.217 508 G C 1.647 176.588 174.900 0.068 0.000 1.158 508 G CA 1.064 46.218 45.100 0.090 0.000 0.771 508 G HN 0.440 nan 8.290 nan 0.000 0.545 509 L N 0.492 121.746 121.223 0.051 0.000 2.131 509 L HA -0.050 4.292 4.340 0.004 0.000 0.210 509 L C 3.302 180.194 176.870 0.037 0.000 1.092 509 L CA 1.046 55.903 54.840 0.028 0.000 0.759 509 L CB -0.223 41.826 42.059 -0.017 0.000 0.903 509 L HN 0.336 nan 8.230 nan 0.000 0.435 510 A N -0.477 122.376 122.820 0.054 0.000 1.878 510 A HA -0.105 4.218 4.320 0.004 0.000 0.213 510 A C 2.208 179.880 177.584 0.147 0.000 1.192 510 A CA 1.595 53.704 52.037 0.121 0.000 0.619 510 A CB -0.587 18.527 19.000 0.190 0.000 0.837 510 A HN 0.433 nan 8.150 nan 0.000 0.446 511 T N -5.360 109.264 114.554 0.116 0.000 3.086 511 T HA 0.217 4.569 4.350 0.004 0.000 0.250 511 T C 0.870 175.614 174.700 0.074 0.000 1.074 511 T CA 1.117 63.280 62.100 0.104 0.000 0.988 511 T CB 0.443 69.370 68.868 0.099 0.000 0.988 511 T HN 0.143 nan 8.240 nan 0.000 0.530 512 T N 0.817 115.407 114.554 0.060 0.000 3.041 512 T HA 0.333 4.686 4.350 0.004 0.000 0.276 512 T C -0.088 174.618 174.700 0.010 0.000 0.948 512 T CA -0.324 61.795 62.100 0.032 0.000 0.885 512 T CB 0.509 69.401 68.868 0.039 0.000 1.175 512 T HN 0.073 nan 8.240 nan 0.000 0.529 513 R N 1.417 121.932 120.500 0.025 0.000 2.740 513 R HA 0.833 5.175 4.340 0.004 0.000 0.282 513 R C -0.350 175.929 176.300 -0.036 0.000 0.969 513 R CA -1.103 55.010 56.100 0.022 0.000 0.918 513 R CB 0.710 31.053 30.300 0.071 0.000 1.175 513 R HN 0.210 nan 8.270 nan 0.000 0.464 514 A N 1.742 124.482 122.820 -0.133 0.000 2.425 514 A HA 0.357 4.680 4.320 0.004 0.000 0.242 514 A C -0.021 177.351 177.584 -0.353 0.000 1.077 514 A CA -0.056 51.742 52.037 -0.398 0.000 0.781 514 A CB 0.192 18.649 19.000 -0.904 0.000 1.020 514 A HN 0.455 nan 8.150 nan 0.000 0.494 515 R N 0.643 121.030 120.500 -0.187 0.000 2.207 515 R HA 0.487 4.829 4.340 0.004 0.000 0.334 515 R C -0.552 175.720 176.300 -0.047 0.000 1.013 515 R CA 0.178 56.251 56.100 -0.046 0.000 0.858 515 R CB 0.005 30.384 30.300 0.131 0.000 1.094 515 R HN 0.958 nan 8.270 nan 0.000 0.457 516 H N 0.752 119.908 119.070 0.143 0.000 2.748 516 H HA 0.217 4.775 4.556 0.004 0.000 0.315 516 H C 0.425 175.797 175.328 0.073 0.000 1.429 516 H CA -0.831 55.297 56.048 0.132 0.000 1.444 516 H CB 1.281 31.136 29.762 0.155 0.000 1.827 516 H HN 0.522 nan 8.280 nan 0.000 0.754 517 E N -0.179 120.147 120.200 0.210 0.000 2.072 517 E HA -0.074 4.278 4.350 0.004 0.000 0.191 517 E C -0.176 176.356 176.600 -0.113 0.000 0.985 517 E CA 0.934 57.340 56.400 0.010 0.000 0.801 517 E CB 0.136 29.805 29.700 -0.051 0.000 0.750 517 E HN 0.386 nan 8.360 nan 0.000 0.452 518 H N 1.096 120.212 119.070 0.076 0.000 2.652 518 H HA 0.358 4.916 4.556 0.003 0.000 0.298 518 H C -0.106 175.252 175.328 0.050 0.000 1.076 518 H CA -0.064 56.014 56.048 0.049 0.000 1.360 518 H CB 0.493 30.280 29.762 0.042 0.000 1.421 518 H HN -0.023 nan 8.280 nan 0.000 0.464 519 R N 1.659 122.211 120.500 0.086 0.000 2.740 519 R HA 0.765 5.107 4.340 0.004 0.000 0.282 519 R C -0.945 175.374 176.300 0.031 0.000 0.969 519 R CA -0.908 55.216 56.100 0.039 0.000 0.918 519 R CB 2.382 32.656 30.300 -0.043 0.000 1.175 519 R HN 0.609 nan 8.270 nan 0.000 0.464 520 A N 0.989 123.820 122.820 0.018 0.000 2.556 520 A HA 0.902 5.224 4.320 0.004 0.000 0.294 520 A C -1.659 175.909 177.584 -0.026 0.000 1.091 520 A CA -0.663 51.375 52.037 0.003 0.000 0.704 520 A CB 2.158 21.159 19.000 0.002 0.000 1.300 520 A HN 0.745 nan 8.150 nan 0.000 0.406 521 A N 0.226 123.023 122.820 -0.040 0.000 2.488 521 A HA 0.697 5.019 4.320 0.004 0.000 0.298 521 A C -1.353 176.179 177.584 -0.088 0.000 1.044 521 A CA -0.429 51.551 52.037 -0.094 0.000 0.693 521 A CB 1.449 20.383 19.000 -0.109 0.000 1.272 521 A HN 1.545 nan 8.150 nan 0.000 0.402 522 V N 1.959 121.805 119.914 -0.113 0.000 2.448 522 V HA 0.511 4.633 4.120 0.004 0.000 0.295 522 V C -0.318 175.717 176.094 -0.099 0.000 1.025 522 V CA -0.676 61.572 62.300 -0.087 0.000 0.859 522 V CB 1.544 33.322 31.823 -0.075 0.000 0.988 522 V HN 0.661 nan 8.190 nan 0.000 0.431 523 V N 4.089 123.961 119.914 -0.070 0.000 2.370 523 V HA 0.876 4.998 4.120 0.004 0.000 0.279 523 V C 0.348 176.418 176.094 -0.040 0.000 1.029 523 V CA -0.026 62.242 62.300 -0.054 0.000 0.870 523 V CB 1.184 32.988 31.823 -0.031 0.000 0.984 523 V HN 1.098 nan 8.190 nan 0.000 0.451 524 A N 3.542 126.339 122.820 -0.038 0.000 2.572 524 A HA 0.760 5.082 4.320 0.004 0.000 0.295 524 A C 0.133 177.700 177.584 -0.028 0.000 1.072 524 A CA 0.079 52.095 52.037 -0.035 0.000 0.691 524 A CB 2.038 21.011 19.000 -0.045 0.000 1.291 524 A HN 0.964 nan 8.150 nan 0.000 0.404 525 S N -0.614 115.070 115.700 -0.026 0.000 2.666 525 S HA 0.434 4.907 4.470 0.004 0.000 0.239 525 S C 0.158 174.737 174.600 -0.035 0.000 1.031 525 S CA 0.295 58.482 58.200 -0.023 0.000 1.015 525 S CB 0.336 63.528 63.200 -0.012 0.000 0.981 525 S HN 0.868 nan 8.310 nan 0.000 0.547 526 T N 2.699 117.229 114.554 -0.041 0.000 2.971 526 T HA 0.387 4.739 4.350 0.004 0.000 0.304 526 T C 0.801 175.470 174.700 -0.053 0.000 1.038 526 T CA -0.778 61.293 62.100 -0.049 0.000 1.007 526 T CB 1.575 70.419 68.868 -0.041 0.000 1.055 526 T HN 0.200 nan 8.240 nan 0.000 0.451 527 R N 3.419 123.882 120.500 -0.062 0.000 2.103 527 R HA -0.158 4.184 4.340 0.004 0.000 0.242 527 R C 1.281 177.549 176.300 -0.054 0.000 1.142 527 R CA 2.003 58.064 56.100 -0.065 0.000 0.960 527 R CB -1.118 29.135 30.300 -0.078 0.000 0.858 527 R HN 0.818 nan 8.270 nan 0.000 0.439 528 E N 1.197 121.368 120.200 -0.047 0.000 2.077 528 E HA -0.178 4.174 4.350 0.004 0.000 0.193 528 E C 2.003 178.581 176.600 -0.038 0.000 0.989 528 E CA 1.160 57.536 56.400 -0.040 0.000 0.800 528 E CB -0.322 29.357 29.700 -0.035 0.000 0.746 528 E HN 0.576 nan 8.360 nan 0.000 0.452 529 E N 0.928 121.105 120.200 -0.038 0.000 2.033 529 E HA -0.301 4.052 4.350 0.004 0.000 0.199 529 E C 2.186 178.762 176.600 -0.040 0.000 1.011 529 E CA 1.351 57.730 56.400 -0.037 0.000 0.815 529 E CB -0.203 29.476 29.700 -0.035 0.000 0.755 529 E HN 0.330 nan 8.360 nan 0.000 0.451 530 A N 0.750 123.542 122.820 -0.046 0.000 1.883 530 A HA -0.198 4.124 4.320 0.004 0.000 0.217 530 A C 2.454 180.009 177.584 -0.048 0.000 1.186 530 A CA 2.113 54.120 52.037 -0.051 0.000 0.624 530 A CB -1.109 17.856 19.000 -0.058 0.000 0.822 530 A HN 0.362 nan 8.150 nan 0.000 0.444 531 V N -1.025 118.862 119.914 -0.045 0.000 2.515 531 V HA -0.173 3.949 4.120 0.004 0.000 0.250 531 V C 2.201 178.273 176.094 -0.037 0.000 1.058 531 V CA 2.276 64.552 62.300 -0.041 0.000 1.064 531 V CB -0.839 30.961 31.823 -0.039 0.000 0.675 531 V HN 0.552 nan 8.190 nan 0.000 0.461 532 R N 0.411 120.889 120.500 -0.036 0.000 2.117 532 R HA -0.108 4.234 4.340 0.004 0.000 0.243 532 R C 2.216 178.497 176.300 -0.033 0.000 1.143 532 R CA 1.813 57.893 56.100 -0.032 0.000 0.968 532 R CB -0.719 29.563 30.300 -0.031 0.000 0.863 532 R HN 0.679 nan 8.270 nan 0.000 0.444 533 G N -0.570 108.208 108.800 -0.036 0.000 2.662 533 G HA2 -0.043 3.919 3.960 0.004 0.000 0.212 533 G HA3 -0.043 3.919 3.960 0.004 0.000 0.212 533 G C 1.359 176.236 174.900 -0.038 0.000 1.141 533 G CA -0.234 44.844 45.100 -0.036 0.000 0.797 533 G HN 0.116 nan 8.290 nan 0.000 0.531 534 L N 0.157 121.356 121.223 -0.041 0.000 2.005 534 L HA -0.034 4.308 4.340 0.004 0.000 0.207 534 L C 3.110 179.958 176.870 -0.038 0.000 1.072 534 L CA 0.794 55.609 54.840 -0.041 0.000 0.744 534 L CB -0.365 41.668 42.059 -0.043 0.000 0.895 534 L HN 0.020 nan 8.230 nan 0.000 0.433 535 R N 0.642 121.121 120.500 -0.035 0.000 2.133 535 R HA -0.236 4.106 4.340 0.004 0.000 0.245 535 R C 2.062 178.344 176.300 -0.030 0.000 1.137 535 R CA 1.968 58.048 56.100 -0.032 0.000 0.947 535 R CB -0.920 29.362 30.300 -0.030 0.000 0.865 535 R HN 0.556 nan 8.270 nan 0.000 0.437 536 E N 0.268 120.451 120.200 -0.029 0.000 2.070 536 E HA -0.195 4.158 4.350 0.004 0.000 0.197 536 E C 2.188 178.772 176.600 -0.026 0.000 1.004 536 E CA 1.457 57.841 56.400 -0.026 0.000 0.805 536 E CB -0.327 29.358 29.700 -0.026 0.000 0.744 536 E HN 0.367 nan 8.360 nan 0.000 0.451 537 I N 1.282 121.835 120.570 -0.028 0.000 2.179 537 I HA -0.257 3.916 4.170 0.004 0.000 0.242 537 I C 2.628 178.726 176.117 -0.031 0.000 1.088 537 I CA 1.011 62.295 61.300 -0.027 0.000 1.357 537 I CB -0.378 37.605 38.000 -0.028 0.000 1.051 537 I HN 0.066 nan 8.210 nan 0.000 0.409 538 A N 0.801 123.599 122.820 -0.037 0.000 1.940 538 A HA -0.132 4.190 4.320 0.004 0.000 0.219 538 A C 2.370 179.932 177.584 -0.038 0.000 1.176 538 A CA 1.813 53.825 52.037 -0.042 0.000 0.631 538 A CB -0.799 18.175 19.000 -0.043 0.000 0.814 538 A HN 0.438 nan 8.150 nan 0.000 0.446 539 A N -1.598 121.203 122.820 -0.032 0.000 2.235 539 A HA 0.382 4.704 4.320 0.004 0.000 0.208 539 A C 1.986 179.555 177.584 -0.025 0.000 1.172 539 A CA 1.237 53.257 52.037 -0.028 0.000 0.786 539 A CB -1.247 17.738 19.000 -0.025 0.000 0.804 539 A HN 1.848 nan 8.150 nan 0.000 0.479 540 G N -1.357 107.428 108.800 -0.025 0.000 2.238 540 G HA2 -0.237 3.725 3.960 0.004 0.000 0.270 540 G HA3 -0.237 3.725 3.960 0.004 0.000 0.270 540 G C 1.025 175.915 174.900 -0.016 0.000 0.977 540 G CA 0.720 45.807 45.100 -0.021 0.000 0.639 540 G HN 1.625 nan 8.290 nan 0.000 0.544 541 A N -0.342 122.467 122.820 -0.017 0.000 2.268 541 A HA 0.719 5.041 4.320 0.004 0.000 0.221 541 A C 2.181 179.757 177.584 -0.014 0.000 1.287 541 A CA 1.577 53.605 52.037 -0.015 0.000 0.902 541 A CB -0.951 18.039 19.000 -0.017 0.000 0.877 541 A HN 2.479 nan 8.150 nan 0.000 0.487 542 A N -1.272 121.540 122.820 -0.012 0.000 4.832 542 A HA -0.304 4.018 4.320 0.004 0.000 0.351 542 A C 1.387 178.964 177.584 -0.012 0.000 1.699 542 A CA 2.386 54.418 52.037 -0.009 0.000 0.731 542 A CB -2.425 16.572 19.000 -0.006 0.000 1.480 542 A HN 1.023 nan 8.150 nan 0.000 0.447 543 T N -0.036 114.510 114.554 -0.014 0.000 2.833 543 T HA 0.748 5.100 4.350 0.004 0.000 0.292 543 T C 0.319 175.007 174.700 -0.020 0.000 1.031 543 T CA 1.120 63.211 62.100 -0.017 0.000 0.937 543 T CB 1.087 69.945 68.868 -0.016 0.000 1.256 543 T HN 2.722 nan 8.240 nan 0.000 0.551 544 A N 0.150 122.955 122.820 -0.024 0.000 2.365 544 A HA 0.214 4.536 4.320 0.004 0.000 0.609 544 A C 0.193 177.759 177.584 -0.031 0.000 0.312 544 A CA -0.450 51.571 52.037 -0.027 0.000 0.264 544 A CB -0.841 18.143 19.000 -0.026 0.000 3.458 544 A HN 0.638 nan 8.150 nan 0.000 0.500 545 D N 1.192 121.570 120.400 -0.035 0.000 2.084 545 D HA 0.164 4.807 4.640 0.004 0.000 0.199 545 D C 1.930 178.205 176.300 -0.042 0.000 0.981 545 D CA 2.095 56.069 54.000 -0.043 0.000 0.841 545 D CB -0.289 40.483 40.800 -0.046 0.000 0.997 545 D HN 1.239 nan 8.370 nan 0.000 0.454 546 A N 0.670 123.468 122.820 -0.037 0.000 2.310 546 A HA 0.288 4.610 4.320 0.004 0.000 0.230 546 A C 0.176 177.740 177.584 -0.033 0.000 1.294 546 A CA -0.102 51.915 52.037 -0.034 0.000 0.898 546 A CB -0.205 18.775 19.000 -0.032 0.000 0.917 546 A HN 0.044 nan 8.150 nan 0.000 0.491 547 V N 1.053 120.949 119.914 -0.030 0.000 2.357 547 V HA 0.379 4.501 4.120 0.004 0.000 0.284 547 V C -0.463 175.620 176.094 -0.018 0.000 1.018 547 V CA -0.524 61.759 62.300 -0.028 0.000 0.841 547 V CB 1.377 33.184 31.823 -0.028 0.000 0.991 547 V HN 0.154 nan 8.190 nan 0.000 0.437 548 V N 3.857 123.763 119.914 -0.012 0.000 2.495 548 V HA 0.581 4.703 4.120 0.004 0.000 0.298 548 V C -0.166 175.933 176.094 0.008 0.000 1.031 548 V CA -0.689 61.613 62.300 0.003 0.000 0.871 548 V CB 1.876 33.711 31.823 0.019 0.000 0.988 548 V HN 0.843 nan 8.190 nan 0.000 0.432 549 E N 1.521 121.729 120.200 0.013 0.000 2.277 549 E HA 0.817 5.169 4.350 0.004 0.000 0.266 549 E C -0.163 176.452 176.600 0.024 0.000 0.901 549 E CA -0.435 55.977 56.400 0.020 0.000 0.782 549 E CB 2.747 32.459 29.700 0.021 0.000 1.228 549 E HN 0.983 nan 8.360 nan 0.000 0.424 550 G N -0.077 108.738 108.800 0.025 0.000 2.495 550 G HA2 0.483 4.446 3.960 0.004 0.000 0.294 550 G HA3 0.483 4.446 3.960 0.004 0.000 0.294 550 G C -1.692 173.198 174.900 -0.017 0.000 1.397 550 G CA -0.415 44.691 45.100 0.010 0.000 0.790 550 G HN 0.337 nan 8.290 nan 0.000 0.486 551 V N -0.334 119.545 119.914 -0.059 0.000 2.851 551 V HA 0.839 4.961 4.120 0.004 0.000 0.307 551 V C -0.449 175.575 176.094 -0.117 0.000 1.129 551 V CA -0.320 61.884 62.300 -0.159 0.000 0.932 551 V CB 1.943 33.643 31.823 -0.205 0.000 1.024 551 V HN 1.204 nan 8.190 nan 0.000 0.426 552 T N 2.101 116.578 114.554 -0.129 0.000 2.932 552 T HA 0.453 4.805 4.350 0.004 0.000 0.318 552 T C -0.717 173.947 174.700 -0.061 0.000 1.265 552 T CA -0.408 61.650 62.100 -0.070 0.000 1.036 552 T CB 2.054 70.900 68.868 -0.038 0.000 1.209 552 T HN 0.688 nan 8.240 nan 0.000 0.484 553 E N 3.080 123.257 120.200 -0.038 0.000 2.585 553 E HA 0.189 4.541 4.350 0.004 0.000 0.206 553 E C 1.334 177.927 176.600 -0.012 0.000 1.007 553 E CA 0.238 56.622 56.400 -0.026 0.000 1.028 553 E CB 0.860 30.543 29.700 -0.027 0.000 1.087 553 E HN 0.542 nan 8.360 nan 0.000 0.455 554 V N -3.480 116.431 119.914 -0.004 0.000 3.539 554 V HA 0.159 4.281 4.120 0.004 0.000 0.262 554 V C 0.043 176.145 176.094 0.013 0.000 1.381 554 V CA -0.079 62.222 62.300 0.001 0.000 1.060 554 V CB 0.143 31.968 31.823 0.003 0.000 0.842 554 V HN -0.071 nan 8.190 nan 0.000 0.445 555 D N 1.459 121.875 120.400 0.027 0.000 2.811 555 D HA 0.097 4.739 4.640 0.004 0.000 0.231 555 D C 0.568 176.905 176.300 0.063 0.000 1.157 555 D CA 1.969 56.001 54.000 0.053 0.000 0.716 555 D CB -1.494 39.334 40.800 0.047 0.000 1.077 555 D HN 1.540 nan 8.370 nan 0.000 0.428 556 G N -1.153 107.682 108.800 0.058 0.000 2.329 556 G HA2 0.433 4.395 3.960 0.004 0.000 0.308 556 G HA3 0.433 4.395 3.960 0.004 0.000 0.308 556 G C -0.974 173.945 174.900 0.032 0.000 1.587 556 G CA -0.525 44.609 45.100 0.057 0.000 0.978 556 G HN 0.384 nan 8.290 nan 0.000 0.685 557 R N -0.301 120.215 120.500 0.027 0.000 2.795 557 R HA 0.569 4.911 4.340 0.004 0.000 0.268 557 R C -1.051 175.238 176.300 -0.019 0.000 1.041 557 R CA -1.276 54.825 56.100 0.002 0.000 0.927 557 R CB 0.899 31.206 30.300 0.010 0.000 1.235 557 R HN 0.382 nan 8.270 nan 0.000 0.463 558 N N 0.892 119.567 118.700 -0.043 0.000 2.402 558 N HA 0.164 4.906 4.740 0.004 0.000 0.252 558 N C -0.702 174.791 175.510 -0.027 0.000 1.118 558 N CA -0.141 52.885 53.050 -0.041 0.000 0.945 558 N CB 1.587 39.994 38.487 -0.132 0.000 1.147 558 N HN 0.212 nan 8.380 nan 0.000 0.495 559 V N 2.716 122.602 119.914 -0.046 0.000 2.439 559 V HA 0.288 4.410 4.120 0.004 0.000 0.282 559 V C 0.379 176.355 176.094 -0.196 0.000 1.039 559 V CA -0.696 61.532 62.300 -0.121 0.000 0.913 559 V CB 1.809 33.582 31.823 -0.084 0.000 0.983 559 V HN 0.263 nan 8.190 nan 0.000 0.460 560 V N 5.574 125.309 119.914 -0.298 0.000 2.448 560 V HA 0.463 4.585 4.120 0.004 0.000 0.295 560 V C -0.359 175.738 176.094 0.004 0.000 1.025 560 V CA -0.492 61.629 62.300 -0.298 0.000 0.859 560 V CB 1.578 33.036 31.823 -0.609 0.000 0.988 560 V HN 0.660 nan 8.190 nan 0.000 0.431 561 F N 5.075 124.900 119.950 -0.208 0.000 2.411 561 F HA 0.532 5.061 4.527 0.004 0.000 0.350 561 F C -0.092 175.587 175.800 -0.201 0.000 1.114 561 F CA -0.800 57.026 58.000 -0.289 0.000 1.135 561 F CB 1.437 40.298 39.000 -0.233 0.000 1.120 561 F HN 0.253 nan 8.300 nan 0.000 0.495 562 L N 4.783 125.911 121.223 -0.159 0.000 2.305 562 L HA 0.377 4.720 4.340 0.004 0.000 0.284 562 L C -1.031 175.741 176.870 -0.164 0.000 1.013 562 L CA -0.456 54.406 54.840 0.036 0.000 0.819 562 L CB 0.981 43.147 42.059 0.179 0.000 1.227 562 L HN 0.364 nan 8.230 nan 0.000 0.417 563 F N 4.125 124.185 119.950 0.183 0.000 2.332 563 F HA 0.525 5.054 4.527 0.003 0.000 0.368 563 F C -2.110 173.781 175.800 0.152 0.000 1.110 563 F CA -2.818 55.278 58.000 0.160 0.000 1.087 563 F CB 0.471 39.583 39.000 0.187 0.000 1.235 563 F HN 0.253 nan 8.300 nan 0.000 0.470 564 P HA 0.284 nan 4.420 nan 0.000 0.276 564 P C 0.423 177.796 177.300 0.121 0.000 1.261 564 P CA -0.311 62.832 63.100 0.071 0.000 0.800 564 P CB 0.857 32.543 31.700 -0.023 0.000 1.066 565 G N -0.370 108.444 108.800 0.023 0.000 2.508 565 G HA2 0.304 4.266 3.960 0.004 0.000 0.278 565 G HA3 0.304 4.266 3.960 0.004 0.000 0.278 565 G C -0.503 174.433 174.900 0.061 0.000 1.389 565 G CA -0.488 44.667 45.100 0.092 0.000 1.050 565 G HN 0.658 nan 8.290 nan 0.000 0.522 566 Q N -1.442 118.411 119.800 0.089 0.000 2.421 566 Q HA 0.462 4.804 4.340 0.004 0.000 0.255 566 Q C 0.748 176.771 176.000 0.038 0.000 1.013 566 Q CA 0.513 56.367 55.803 0.085 0.000 0.895 566 Q CB 0.894 29.699 28.738 0.111 0.000 1.271 566 Q HN 1.260 nan 8.270 nan 0.000 0.460 567 G N 1.023 109.853 108.800 0.049 0.000 2.797 567 G HA2 -0.262 3.700 3.960 0.004 0.000 0.195 567 G HA3 -0.262 3.700 3.960 0.004 0.000 0.195 567 G C 0.680 175.617 174.900 0.061 0.000 1.026 567 G CA 0.220 45.338 45.100 0.030 0.000 0.759 567 G HN 1.003 nan 8.290 nan 0.000 0.475 568 S N 0.850 116.611 115.700 0.103 0.000 2.634 568 S HA 0.347 4.819 4.470 0.004 0.000 0.221 568 S C 0.695 175.446 174.600 0.252 0.000 0.952 568 S CA 0.521 58.830 58.200 0.182 0.000 0.930 568 S CB -0.068 63.251 63.200 0.197 0.000 0.780 568 S HN 0.718 nan 8.310 nan 0.000 0.498 569 Q N 2.342 122.252 119.800 0.182 0.000 2.286 569 Q HA 0.450 4.792 4.340 0.004 0.000 0.257 569 Q C -0.406 175.758 176.000 0.273 0.000 0.941 569 Q CA -0.712 55.202 55.803 0.185 0.000 0.912 569 Q CB 0.387 29.181 28.738 0.093 0.000 1.192 569 Q HN 0.678 nan 8.270 nan 0.000 0.410 570 W N 0.485 121.791 121.300 0.010 0.000 2.781 570 W HA 0.692 5.354 4.660 0.003 0.000 0.345 570 W C -0.131 176.394 176.519 0.010 0.000 1.085 570 W CA -1.460 55.882 57.345 -0.006 0.000 1.198 570 W CB 0.691 30.143 29.460 -0.013 0.000 1.423 570 W HN 0.715 nan 8.180 nan 0.000 0.532 571 A N 1.747 124.660 122.820 0.156 0.000 1.978 571 A HA -0.013 4.309 4.320 0.004 0.000 0.220 571 A C 2.068 179.602 177.584 -0.084 0.000 1.170 571 A CA 2.493 54.542 52.037 0.021 0.000 0.636 571 A CB -1.266 17.770 19.000 0.059 0.000 0.810 571 A HN 0.928 nan 8.150 nan 0.000 0.448 572 G N -1.350 107.445 108.800 -0.008 0.000 2.511 572 G HA2 -0.109 3.853 3.960 0.004 0.000 0.216 572 G HA3 -0.109 3.853 3.960 0.004 0.000 0.216 572 G C 1.181 175.532 174.900 -0.915 0.000 1.218 572 G CA 1.426 46.318 45.100 -0.348 0.000 0.788 572 G HN 0.475 nan 8.290 nan 0.000 0.560 573 M N -0.764 117.660 119.600 -1.961 0.000 7.319 573 M HA -0.306 4.176 4.480 0.004 0.000 0.338 573 M C 1.912 177.815 176.300 -0.662 0.000 0.480 573 M CA 2.227 56.691 55.300 -1.394 0.000 1.311 573 M CB -1.116 31.059 32.600 -0.708 0.000 0.421 573 M HN 0.272 nan 8.290 nan 0.000 0.946 574 G N -1.021 107.617 108.800 -0.271 0.000 3.088 574 G HA2 0.387 4.349 3.960 0.004 0.000 0.212 574 G HA3 0.387 4.349 3.960 0.004 0.000 0.212 574 G C 1.069 175.939 174.900 -0.049 0.000 1.173 574 G CA 1.021 46.081 45.100 -0.067 0.000 0.779 574 G HN 0.935 nan 8.290 nan 0.000 0.540 575 A N 1.390 124.151 122.820 -0.099 0.000 1.849 575 A HA -0.116 4.207 4.320 0.004 0.000 0.217 575 A C 2.229 179.799 177.584 -0.022 0.000 1.202 575 A CA 1.807 53.822 52.037 -0.038 0.000 0.629 575 A CB -0.365 18.608 19.000 -0.044 0.000 0.834 575 A HN 0.270 nan 8.150 nan 0.000 0.447 576 E N -0.521 119.659 120.200 -0.033 0.000 2.085 576 E HA -0.186 4.166 4.350 0.004 0.000 0.194 576 E C 1.964 178.531 176.600 -0.056 0.000 0.994 576 E CA 0.985 57.372 56.400 -0.022 0.000 0.801 576 E CB -0.563 29.138 29.700 0.002 0.000 0.743 576 E HN 0.423 nan 8.360 nan 0.000 0.453 577 L N 0.405 121.538 121.223 -0.151 0.000 2.079 577 L HA -0.176 4.166 4.340 0.004 0.000 0.210 577 L C 2.365 179.205 176.870 -0.050 0.000 1.081 577 L CA 1.067 55.737 54.840 -0.284 0.000 0.752 577 L CB -0.801 40.736 42.059 -0.870 0.000 0.896 577 L HN 0.134 nan 8.230 nan 0.000 0.433 578 L N -0.977 120.302 121.223 0.093 0.000 2.131 578 L HA -0.168 4.174 4.340 0.004 0.000 0.210 578 L C 2.500 179.425 176.870 0.093 0.000 1.092 578 L CA 1.935 56.887 54.840 0.187 0.000 0.759 578 L CB -0.693 41.453 42.059 0.146 0.000 0.903 578 L HN 0.512 nan 8.230 nan 0.000 0.435 579 S N -3.383 112.345 115.700 0.046 0.000 2.524 579 S HA 0.055 4.527 4.470 0.004 0.000 0.215 579 S C 1.480 176.095 174.600 0.024 0.000 0.986 579 S CA 0.349 58.569 58.200 0.032 0.000 0.911 579 S CB -0.059 63.155 63.200 0.023 0.000 0.805 579 S HN 0.422 nan 8.310 nan 0.000 0.501 580 S N 0.243 115.952 115.700 0.016 0.000 2.666 580 S HA 0.378 4.851 4.470 0.004 0.000 0.239 580 S C 0.295 174.905 174.600 0.017 0.000 1.031 580 S CA 0.073 58.280 58.200 0.012 0.000 1.015 580 S CB 0.341 63.541 63.200 -0.001 0.000 0.981 580 S HN 0.430 nan 8.310 nan 0.000 0.547 581 S N 1.724 117.442 115.700 0.030 0.000 2.721 581 S HA 0.553 5.025 4.470 0.004 0.000 0.264 581 S C -2.659 171.991 174.600 0.084 0.000 1.161 581 S CA -1.054 57.173 58.200 0.045 0.000 1.113 581 S CB 1.566 64.768 63.200 0.004 0.000 1.079 581 S HN -0.037 nan 8.310 nan 0.000 0.479 582 P HA -0.069 nan 4.420 nan 0.000 0.216 582 P C 1.595 178.923 177.300 0.046 0.000 1.153 582 P CA 0.645 63.771 63.100 0.043 0.000 0.848 582 P CB 0.132 31.845 31.700 0.022 0.000 0.787 583 V N -0.869 119.074 119.914 0.049 0.000 2.287 583 V HA -0.257 3.866 4.120 0.004 0.000 0.248 583 V C 2.182 178.324 176.094 0.080 0.000 1.053 583 V CA 1.892 64.223 62.300 0.052 0.000 1.027 583 V CB -1.186 30.663 31.823 0.043 0.000 0.646 583 V HN 0.032 nan 8.190 nan 0.000 0.447 584 F N 1.164 121.086 119.950 -0.047 0.000 2.128 584 F HA -0.036 4.493 4.527 0.003 0.000 0.295 584 F C 2.295 178.072 175.800 -0.038 0.000 1.100 584 F CA 1.443 59.408 58.000 -0.058 0.000 1.260 584 F CB -0.477 38.463 39.000 -0.101 0.000 1.009 584 F HN 0.060 nan 8.300 nan 0.000 0.476 585 A N 0.391 123.277 122.820 0.110 0.000 2.019 585 A HA -0.017 4.305 4.320 0.004 0.000 0.219 585 A C 2.434 179.980 177.584 -0.064 0.000 1.164 585 A CA 1.447 53.486 52.037 0.004 0.000 0.644 585 A CB -1.831 17.210 19.000 0.070 0.000 0.805 585 A HN 0.543 nan 8.150 nan 0.000 0.449 586 G N 0.017 108.794 108.800 -0.038 0.000 2.628 586 G HA2 -0.314 3.648 3.960 0.004 0.000 0.217 586 G HA3 -0.314 3.648 3.960 0.004 0.000 0.217 586 G C 1.726 176.576 174.900 -0.083 0.000 1.240 586 G CA 1.209 46.283 45.100 -0.043 0.000 0.792 586 G HN 0.419 nan 8.290 nan 0.000 0.593 587 K N -0.149 120.173 120.400 -0.130 0.000 2.057 587 K HA 0.017 4.339 4.320 0.004 0.000 0.206 587 K C 2.582 179.062 176.600 -0.200 0.000 1.050 587 K CA 0.521 56.718 56.287 -0.151 0.000 0.935 587 K CB -0.402 31.998 32.500 -0.166 0.000 0.715 587 K HN 0.228 nan 8.250 nan 0.000 0.439 588 I N 1.177 121.560 120.570 -0.313 0.000 2.194 588 I HA -0.303 3.869 4.170 0.004 0.000 0.246 588 I C 2.313 178.348 176.117 -0.138 0.000 1.093 588 I CA 1.425 62.568 61.300 -0.262 0.000 1.355 588 I CB -0.774 37.040 38.000 -0.311 0.000 1.046 588 I HN 0.203 nan 8.210 nan 0.000 0.413 589 R N 0.197 120.632 120.500 -0.109 0.000 2.073 589 R HA -0.057 4.285 4.340 0.004 0.000 0.229 589 R C 2.386 178.648 176.300 -0.064 0.000 1.120 589 R CA 1.366 57.425 56.100 -0.069 0.000 0.967 589 R CB -0.308 29.963 30.300 -0.048 0.000 0.862 589 R HN 0.351 nan 8.270 nan 0.000 0.436 590 A N 0.678 123.460 122.820 -0.063 0.000 1.908 590 A HA -0.216 4.106 4.320 0.004 0.000 0.218 590 A C 2.427 179.977 177.584 -0.058 0.000 1.181 590 A CA 1.643 53.650 52.037 -0.049 0.000 0.627 590 A CB -0.915 18.065 19.000 -0.033 0.000 0.818 590 A HN 0.464 nan 8.150 nan 0.000 0.445 591 C N -0.644 118.614 119.300 -0.071 0.000 2.432 591 C HA -0.099 4.363 4.460 0.004 0.000 0.277 591 C C 2.419 177.362 174.990 -0.078 0.000 1.249 591 C CA 1.062 60.045 59.018 -0.059 0.000 1.725 591 C CB -1.222 26.492 27.740 -0.043 0.000 2.028 591 C HN 0.601 nan 8.230 nan 0.000 0.477 592 D N 0.433 120.782 120.400 -0.085 0.000 2.149 592 D HA -0.129 4.513 4.640 0.004 0.000 0.198 592 D C 2.062 178.298 176.300 -0.106 0.000 0.990 592 D CA 1.298 55.235 54.000 -0.105 0.000 0.839 592 D CB -0.428 40.324 40.800 -0.080 0.000 0.948 592 D HN 0.592 nan 8.370 nan 0.000 0.460 593 E N 0.087 120.239 120.200 -0.081 0.000 2.077 593 E HA -0.096 4.256 4.350 0.004 0.000 0.193 593 E C 2.178 178.730 176.600 -0.080 0.000 0.989 593 E CA 1.108 57.465 56.400 -0.072 0.000 0.800 593 E CB 0.066 29.735 29.700 -0.052 0.000 0.746 593 E HN 0.038 nan 8.360 nan 0.000 0.452 594 S N -0.015 115.637 115.700 -0.080 0.000 2.428 594 S HA -0.043 4.429 4.470 0.004 0.000 0.230 594 S C 1.766 176.295 174.600 -0.118 0.000 1.014 594 S CA 0.859 59.007 58.200 -0.086 0.000 0.957 594 S CB 0.014 63.169 63.200 -0.075 0.000 0.784 594 S HN 0.229 nan 8.310 nan 0.000 0.499 595 M N 0.600 120.112 119.600 -0.147 0.000 2.541 595 M HA 0.190 4.672 4.480 0.004 0.000 0.252 595 M C 2.225 178.388 176.300 -0.227 0.000 1.125 595 M CA 0.255 55.433 55.300 -0.203 0.000 1.091 595 M CB -0.238 32.209 32.600 -0.255 0.000 1.420 595 M HN 0.343 nan 8.290 nan 0.000 0.486 596 A N 1.660 124.370 122.820 -0.184 0.000 1.917 596 A HA -0.116 4.206 4.320 0.004 0.000 0.219 596 A C -0.443 177.048 177.584 -0.154 0.000 1.182 596 A CA 1.588 53.520 52.037 -0.174 0.000 0.633 596 A CB -1.922 17.004 19.000 -0.123 0.000 0.819 596 A HN 0.325 nan 8.150 nan 0.000 0.448 597 P HA -0.013 nan 4.420 nan 0.000 0.230 597 P C 1.165 178.398 177.300 -0.112 0.000 1.158 597 P CA 0.969 64.007 63.100 -0.103 0.000 0.769 597 P CB -0.060 31.589 31.700 -0.085 0.000 0.807 598 M N -1.610 117.902 119.600 -0.147 0.000 2.516 598 M HA 0.087 4.569 4.480 0.004 0.000 0.259 598 M C 1.063 177.260 176.300 -0.171 0.000 1.146 598 M CA 0.611 55.824 55.300 -0.145 0.000 1.122 598 M CB 0.140 32.646 32.600 -0.158 0.000 1.341 598 M HN -0.014 nan 8.290 nan 0.000 0.478 599 Q N -0.298 119.349 119.800 -0.254 0.000 2.707 599 Q HA 0.265 4.607 4.340 0.004 0.000 0.307 599 Q C -1.218 174.599 176.000 -0.305 0.000 0.934 599 Q CA -0.530 55.077 55.803 -0.327 0.000 0.753 599 Q CB 1.185 29.506 28.738 -0.694 0.000 1.478 599 Q HN 0.109 nan 8.270 nan 0.000 0.458 600 D N -1.041 119.215 120.400 -0.239 0.000 2.474 600 D HA 0.107 4.750 4.640 0.004 0.000 0.213 600 D C 0.015 176.300 176.300 -0.025 0.000 1.120 600 D CA -0.182 53.759 54.000 -0.099 0.000 0.836 600 D CB 0.157 40.963 40.800 0.010 0.000 1.019 600 D HN 0.585 nan 8.370 nan 0.000 0.507 601 W N 1.830 123.120 121.300 -0.017 0.000 2.436 601 W HA 0.639 5.302 4.660 0.004 0.000 0.347 601 W C -0.539 175.969 176.519 -0.018 0.000 1.136 601 W CA -0.951 56.385 57.345 -0.015 0.000 1.286 601 W CB 0.506 29.958 29.460 -0.013 0.000 1.253 601 W HN -0.309 nan 8.180 nan 0.000 0.617 602 K N 0.350 120.878 120.400 0.215 0.000 2.422 602 K HA 0.419 4.742 4.320 0.004 0.000 0.251 602 K C 0.425 177.166 176.600 0.234 0.000 0.933 602 K CA -0.910 55.408 56.287 0.051 0.000 0.798 602 K CB 2.661 35.148 32.500 -0.021 0.000 1.238 602 K HN 0.144 nan 8.250 nan 0.000 0.428 603 V N 1.051 121.067 119.914 0.171 0.000 2.317 603 V HA -0.345 3.777 4.120 0.004 0.000 0.251 603 V C 2.222 178.383 176.094 0.112 0.000 1.065 603 V CA 2.711 65.131 62.300 0.200 0.000 1.049 603 V CB -0.951 30.935 31.823 0.104 0.000 0.651 603 V HN 0.995 nan 8.190 nan 0.000 0.450 604 S N -0.157 115.577 115.700 0.057 0.000 2.383 604 S HA -0.251 4.221 4.470 0.004 0.000 0.229 604 S C 1.642 176.275 174.600 0.054 0.000 1.030 604 S CA 1.642 59.866 58.200 0.040 0.000 1.002 604 S CB -0.528 62.683 63.200 0.018 0.000 0.829 604 S HN 0.642 nan 8.310 nan 0.000 0.467 605 D N 1.592 122.039 120.400 0.078 0.000 2.097 605 D HA -0.013 4.629 4.640 0.004 0.000 0.197 605 D C 2.230 178.569 176.300 0.065 0.000 0.984 605 D CA 1.068 55.112 54.000 0.074 0.000 0.826 605 D CB -0.514 40.343 40.800 0.094 0.000 0.973 605 D HN 0.305 nan 8.370 nan 0.000 0.460 606 V N 1.752 121.722 119.914 0.094 0.000 2.392 606 V HA -0.219 3.903 4.120 0.004 0.000 0.249 606 V C 2.641 178.736 176.094 0.001 0.000 1.059 606 V CA 1.133 63.451 62.300 0.031 0.000 1.051 606 V CB -0.526 31.306 31.823 0.016 0.000 0.658 606 V HN 0.213 nan 8.190 nan 0.000 0.455 607 L N -0.742 120.491 121.223 0.016 0.000 2.201 607 L HA -0.129 4.213 4.340 0.004 0.000 0.212 607 L C 2.660 179.516 176.870 -0.024 0.000 1.105 607 L CA 1.441 56.270 54.840 -0.018 0.000 0.775 607 L CB -0.550 41.518 42.059 0.014 0.000 0.913 607 L HN 0.257 nan 8.230 nan 0.000 0.440 608 R N -0.194 120.307 120.500 0.002 0.000 2.173 608 R HA 0.032 4.374 4.340 0.004 0.000 0.208 608 R C 0.097 176.395 176.300 -0.003 0.000 1.035 608 R CA 0.063 56.165 56.100 0.003 0.000 1.004 608 R CB 0.198 30.508 30.300 0.016 0.000 0.917 608 R HN 0.328 nan 8.270 nan 0.000 0.462 609 Q N -0.700 119.097 119.800 -0.005 0.000 2.459 609 Q HA -0.147 4.195 4.340 0.004 0.000 0.314 609 Q C -0.982 175.019 176.000 0.001 0.000 1.432 609 Q CA 0.293 56.091 55.803 -0.008 0.000 0.823 609 Q CB -1.704 27.027 28.738 -0.011 0.000 1.124 609 Q HN 0.380 nan 8.270 nan 0.000 0.392 610 A N 0.934 123.759 122.820 0.009 0.000 2.322 610 A HA 0.630 4.952 4.320 0.004 0.000 0.269 610 A C -1.968 175.622 177.584 0.010 0.000 1.094 610 A CA -1.194 50.851 52.037 0.013 0.000 0.807 610 A CB 0.263 19.276 19.000 0.022 0.000 1.047 610 A HN 0.090 nan 8.150 nan 0.000 0.487 611 P HA 0.226 nan 4.420 nan 0.000 0.262 611 P C 0.962 178.268 177.300 0.011 0.000 1.182 611 P CA 1.975 65.079 63.100 0.007 0.000 0.761 611 P CB 0.454 32.159 31.700 0.008 0.000 0.795 612 G N 1.933 110.737 108.800 0.006 0.000 2.176 612 G HA2 -0.189 3.773 3.960 0.004 0.000 0.253 612 G HA3 -0.189 3.773 3.960 0.004 0.000 0.253 612 G C 0.437 175.341 174.900 0.007 0.000 0.979 612 G CA -0.067 45.038 45.100 0.010 0.000 0.641 612 G HN 0.862 nan 8.290 nan 0.000 0.530 613 A N 1.138 123.957 122.820 -0.002 0.000 2.548 613 A HA 0.567 4.889 4.320 0.004 0.000 0.247 613 A C -0.979 176.558 177.584 -0.079 0.000 1.067 613 A CA -0.064 51.963 52.037 -0.017 0.000 0.757 613 A CB -0.066 18.922 19.000 -0.020 0.000 0.996 613 A HN 0.264 nan 8.150 nan 0.000 0.504 614 P HA 0.323 nan 4.420 nan 0.000 0.269 614 P C 0.452 177.603 177.300 -0.248 0.000 1.209 614 P CA 0.268 63.193 63.100 -0.291 0.000 0.776 614 P CB 0.748 32.047 31.700 -0.667 0.000 0.876 615 G N 1.120 109.800 108.800 -0.201 0.000 2.441 615 G HA2 0.499 4.461 3.960 0.004 0.000 0.334 615 G HA3 0.499 4.461 3.960 0.004 0.000 0.334 615 G C -0.572 174.240 174.900 -0.148 0.000 1.161 615 G CA -0.928 44.088 45.100 -0.140 0.000 0.935 615 G HN 0.412 nan 8.290 nan 0.000 0.488 616 L N 1.520 122.683 121.223 -0.100 0.000 2.416 616 L HA 0.245 4.587 4.340 0.004 0.000 0.243 616 L C 0.098 176.941 176.870 -0.045 0.000 1.373 616 L CA -0.116 54.679 54.840 -0.075 0.000 1.227 616 L CB -0.088 41.947 42.059 -0.040 0.000 1.428 616 L HN 0.416 nan 8.230 nan 0.000 0.425 617 D N -0.162 120.203 120.400 -0.058 0.000 2.526 617 D HA 0.052 4.695 4.640 0.004 0.000 0.293 617 D C 0.620 176.909 176.300 -0.019 0.000 1.081 617 D CA 0.194 54.175 54.000 -0.031 0.000 0.924 617 D CB 0.516 41.295 40.800 -0.036 0.000 1.498 617 D HN 0.309 nan 8.370 nan 0.000 0.497 618 R N 1.487 121.957 120.500 -0.051 0.000 2.216 618 R HA 0.366 4.708 4.340 0.004 0.000 0.332 618 R C 1.136 177.426 176.300 -0.017 0.000 1.056 618 R CA -0.297 55.784 56.100 -0.033 0.000 0.901 618 R CB 1.786 32.047 30.300 -0.066 0.000 1.039 618 R HN -0.190 nan 8.270 nan 0.000 0.456 619 V N 2.566 122.508 119.914 0.046 0.000 2.357 619 V HA -0.345 3.777 4.120 0.004 0.000 0.257 619 V C 1.579 177.694 176.094 0.034 0.000 1.082 619 V CA 2.756 65.099 62.300 0.071 0.000 1.078 619 V CB -0.460 31.436 31.823 0.123 0.000 0.663 619 V HN 1.024 nan 8.190 nan 0.000 0.455 620 D N -1.596 118.813 120.400 0.016 0.000 2.349 620 D HA -0.039 4.603 4.640 0.004 0.000 0.224 620 D C 1.662 178.036 176.300 0.124 0.000 1.029 620 D CA 1.005 55.041 54.000 0.061 0.000 0.879 620 D CB 0.415 41.251 40.800 0.060 0.000 0.906 620 D HN 0.464 nan 8.370 nan 0.000 0.528 621 V N 0.045 119.932 119.914 -0.044 0.000 3.048 621 V HA -0.073 4.050 4.120 0.004 0.000 0.241 621 V C 2.619 178.682 176.094 -0.052 0.000 1.129 621 V CA 0.294 62.437 62.300 -0.261 0.000 1.128 621 V CB 0.624 32.067 31.823 -0.634 0.000 0.849 621 V HN 0.033 nan 8.190 nan 0.000 0.475 622 V N 0.001 119.904 119.914 -0.019 0.000 2.295 622 V HA -0.324 3.798 4.120 0.004 0.000 0.246 622 V C 2.385 178.541 176.094 0.103 0.000 1.049 622 V CA 2.254 64.574 62.300 0.034 0.000 1.024 622 V CB -0.643 31.206 31.823 0.044 0.000 0.648 622 V HN 0.541 nan 8.190 nan 0.000 0.447 623 Q N -0.715 119.154 119.800 0.115 0.000 2.079 623 Q HA -0.127 4.216 4.340 0.004 0.000 0.200 623 Q C 0.048 176.150 176.000 0.170 0.000 0.974 623 Q CA 1.884 57.768 55.803 0.135 0.000 0.840 623 Q CB -1.004 27.793 28.738 0.098 0.000 0.898 623 Q HN 0.550 nan 8.270 nan 0.000 0.430 624 P HA -0.153 nan 4.420 nan 0.000 0.215 624 P C 1.401 178.862 177.300 0.269 0.000 1.157 624 P CA 1.076 64.305 63.100 0.215 0.000 0.868 624 P CB -0.002 31.856 31.700 0.265 0.000 0.788 625 V N -0.564 119.510 119.914 0.266 0.000 2.287 625 V HA -0.223 3.899 4.120 0.004 0.000 0.248 625 V C 2.409 178.596 176.094 0.156 0.000 1.053 625 V CA 1.607 64.030 62.300 0.204 0.000 1.027 625 V CB -1.210 30.699 31.823 0.142 0.000 0.646 625 V HN 0.039 nan 8.190 nan 0.000 0.447 626 L N -0.827 120.493 121.223 0.162 0.000 2.079 626 L HA -0.164 4.178 4.340 0.004 0.000 0.210 626 L C 2.100 179.080 176.870 0.184 0.000 1.081 626 L CA 1.904 56.839 54.840 0.158 0.000 0.752 626 L CB -1.060 41.098 42.059 0.166 0.000 0.896 626 L HN 0.425 nan 8.230 nan 0.000 0.433 627 F N -0.094 119.902 119.950 0.077 0.000 2.075 627 F HA -0.225 4.304 4.527 0.004 0.000 0.297 627 F C 2.339 178.160 175.800 0.035 0.000 1.113 627 F CA 1.698 59.731 58.000 0.055 0.000 1.218 627 F CB -0.367 38.634 39.000 0.002 0.000 0.984 627 F HN 0.073 nan 8.300 nan 0.000 0.472 628 A N 0.243 123.089 122.820 0.043 0.000 1.873 628 A HA -0.190 4.132 4.320 0.004 0.000 0.218 628 A C 2.285 179.773 177.584 -0.160 0.000 1.193 628 A CA 2.387 54.363 52.037 -0.101 0.000 0.629 628 A CB -1.493 17.507 19.000 -0.000 0.000 0.826 628 A HN 0.318 nan 8.150 nan 0.000 0.447 629 V N -0.143 119.749 119.914 -0.038 0.000 2.233 629 V HA -0.367 3.755 4.120 0.004 0.000 0.247 629 V C 2.689 178.835 176.094 0.087 0.000 1.050 629 V CA 2.475 64.807 62.300 0.054 0.000 1.010 629 V CB -0.753 31.145 31.823 0.125 0.000 0.637 629 V HN 0.588 nan 8.190 nan 0.000 0.444 630 M N -0.830 118.818 119.600 0.081 0.000 2.065 630 M HA -0.185 4.297 4.480 0.004 0.000 0.259 630 M C 2.323 178.708 176.300 0.142 0.000 1.069 630 M CA 1.775 57.171 55.300 0.160 0.000 1.110 630 M CB -0.567 32.184 32.600 0.252 0.000 1.328 630 M HN 0.277 nan 8.290 nan 0.000 0.405 631 V N -0.399 119.457 119.914 -0.097 0.000 2.594 631 V HA -0.239 3.883 4.120 0.004 0.000 0.253 631 V C 2.172 178.264 176.094 -0.004 0.000 1.069 631 V CA 2.038 64.267 62.300 -0.119 0.000 1.082 631 V CB -0.206 31.290 31.823 -0.545 0.000 0.680 631 V HN 0.445 nan 8.190 nan 0.000 0.469 632 S N -0.477 115.177 115.700 -0.077 0.000 2.436 632 S HA 0.044 4.516 4.470 0.004 0.000 0.228 632 S C 1.716 176.407 174.600 0.153 0.000 1.014 632 S CA 0.957 59.079 58.200 -0.130 0.000 0.950 632 S CB -0.083 62.707 63.200 -0.682 0.000 0.784 632 S HN 0.510 nan 8.310 nan 0.000 0.504 633 L N 1.200 122.588 121.223 0.276 0.000 2.072 633 L HA -0.036 4.306 4.340 0.004 0.000 0.205 633 L C 2.794 179.893 176.870 0.381 0.000 1.079 633 L CA 1.038 56.061 54.840 0.304 0.000 0.752 633 L CB -0.712 41.532 42.059 0.308 0.000 0.906 633 L HN 0.295 nan 8.230 nan 0.000 0.436 634 A N -0.055 122.983 122.820 0.364 0.000 1.873 634 A HA -0.261 4.062 4.320 0.004 0.000 0.218 634 A C 2.208 180.078 177.584 0.475 0.000 1.193 634 A CA 1.857 54.168 52.037 0.456 0.000 0.629 634 A CB -0.543 18.788 19.000 0.551 0.000 0.826 634 A HN 0.385 nan 8.150 nan 0.000 0.447 635 E N -0.675 119.717 120.200 0.320 0.000 2.065 635 E HA -0.248 4.104 4.350 0.004 0.000 0.201 635 E C 2.020 178.774 176.600 0.256 0.000 1.016 635 E CA 1.573 58.119 56.400 0.244 0.000 0.818 635 E CB -0.647 29.138 29.700 0.142 0.000 0.749 635 E HN 0.515 nan 8.360 nan 0.000 0.453 636 L N -0.103 121.252 121.223 0.220 0.000 1.989 636 L HA -0.179 4.163 4.340 0.004 0.000 0.211 636 L C 2.219 179.287 176.870 0.330 0.000 1.071 636 L CA 1.843 56.762 54.840 0.132 0.000 0.749 636 L CB -0.745 41.186 42.059 -0.214 0.000 0.890 636 L HN 0.193 nan 8.230 nan 0.000 0.431 637 W N -0.028 121.493 121.300 0.369 0.000 2.292 637 W HA -0.278 4.384 4.660 0.003 0.000 0.304 637 W C 2.799 179.545 176.519 0.379 0.000 1.228 637 W CA 1.887 59.496 57.345 0.441 0.000 1.241 637 W CB -0.280 29.366 29.460 0.312 0.000 1.142 637 W HN 0.092 nan 8.180 nan 0.000 0.520 638 R N -0.523 120.301 120.500 0.539 0.000 2.093 638 R HA -0.063 4.279 4.340 0.004 0.000 0.224 638 R C 2.332 178.764 176.300 0.221 0.000 1.101 638 R CA 1.354 57.664 56.100 0.350 0.000 0.979 638 R CB -0.772 29.692 30.300 0.273 0.000 0.877 638 R HN -0.023 nan 8.270 nan 0.000 0.441 639 S N 0.269 116.076 115.700 0.179 0.000 2.393 639 S HA -0.208 4.264 4.470 0.004 0.000 0.234 639 S C 0.939 175.472 174.600 -0.113 0.000 1.064 639 S CA 1.557 59.754 58.200 -0.006 0.000 1.088 639 S CB -0.269 62.870 63.200 -0.100 0.000 0.939 639 S HN 0.379 nan 8.310 nan 0.000 0.448 640 Y N 0.785 121.116 120.300 0.052 0.000 2.596 640 Y HA 0.366 4.918 4.550 0.004 0.000 0.316 640 Y C 1.613 177.498 175.900 -0.024 0.000 1.156 640 Y CA -0.044 58.033 58.100 -0.039 0.000 1.300 640 Y CB -0.251 38.123 38.460 -0.143 0.000 1.130 640 Y HN 0.341 nan 8.280 nan 0.000 0.518 641 G N -0.125 108.756 108.800 0.134 0.000 2.168 641 G HA2 -0.302 3.660 3.960 0.004 0.000 0.263 641 G HA3 -0.302 3.660 3.960 0.004 0.000 0.263 641 G C -0.037 174.953 174.900 0.149 0.000 0.977 641 G CA 0.320 45.483 45.100 0.105 0.000 0.659 641 G HN 0.179 nan 8.290 nan 0.000 0.533 642 V N 1.711 121.786 119.914 0.269 0.000 2.370 642 V HA 0.327 4.449 4.120 0.004 0.000 0.257 642 V C 0.226 176.458 176.094 0.230 0.000 1.064 642 V CA -0.323 62.160 62.300 0.305 0.000 0.975 642 V CB 1.146 33.293 31.823 0.540 0.000 1.067 642 V HN 0.283 nan 8.190 nan 0.000 0.485 643 E N 7.051 127.279 120.200 0.047 0.000 2.146 643 E HA 0.349 4.701 4.350 0.004 0.000 0.282 643 E C -2.317 174.109 176.600 -0.290 0.000 0.989 643 E CA -2.116 54.225 56.400 -0.099 0.000 0.799 643 E CB 1.715 31.386 29.700 -0.048 0.000 1.088 643 E HN 0.423 nan 8.360 nan 0.000 0.397 644 P HA 0.086 nan 4.420 nan 0.000 0.271 644 P C 0.003 177.130 177.300 -0.288 0.000 1.216 644 P CA -0.034 62.649 63.100 -0.694 0.000 0.771 644 P CB 1.190 32.240 31.700 -1.084 0.000 0.864 645 A N 2.855 125.579 122.820 -0.160 0.000 2.072 645 A HA 0.423 4.745 4.320 0.004 0.000 0.216 645 A C 1.005 178.586 177.584 -0.006 0.000 1.156 645 A CA 1.251 53.283 52.037 -0.008 0.000 0.701 645 A CB -0.263 18.816 19.000 0.131 0.000 0.816 645 A HN 0.743 nan 8.150 nan 0.000 0.458 646 A N -1.288 121.442 122.820 -0.150 0.000 2.606 646 A HA 0.608 4.930 4.320 0.004 0.000 0.293 646 A C -0.555 176.944 177.584 -0.141 0.000 1.082 646 A CA 0.088 52.012 52.037 -0.189 0.000 0.685 646 A CB 0.699 19.442 19.000 -0.427 0.000 1.284 646 A HN 1.329 nan 8.150 nan 0.000 0.408 647 V N -1.565 118.325 119.914 -0.040 0.000 3.113 647 V HA 0.998 5.121 4.120 0.004 0.000 0.316 647 V C -0.721 175.336 176.094 -0.061 0.000 1.125 647 V CA -0.778 61.583 62.300 0.102 0.000 1.026 647 V CB 1.542 33.538 31.823 0.289 0.000 1.080 647 V HN 1.286 nan 8.190 nan 0.000 0.444 648 V N 0.505 120.470 119.914 0.084 0.000 3.000 648 V HA 0.886 5.008 4.120 0.004 0.000 0.300 648 V C 0.169 176.428 176.094 0.274 0.000 1.251 648 V CA 0.320 62.639 62.300 0.032 0.000 0.972 648 V CB 2.012 33.885 31.823 0.082 0.000 1.065 648 V HN 1.531 nan 8.190 nan 0.000 0.431 649 G N 0.354 109.301 108.800 0.244 0.000 2.667 649 G HA2 0.603 4.566 3.960 0.004 0.000 0.298 649 G HA3 0.603 4.566 3.960 0.004 0.000 0.298 649 G C -1.945 173.152 174.900 0.329 0.000 1.377 649 G CA -0.652 44.670 45.100 0.370 0.000 0.964 649 G HN 0.865 nan 8.290 nan 0.000 0.493 650 H N 1.332 120.515 119.070 0.189 0.000 2.640 650 H HA 0.533 5.091 4.556 0.003 0.000 0.297 650 H C 1.006 176.409 175.328 0.126 0.000 1.073 650 H CA 1.130 57.207 56.048 0.048 0.000 1.305 650 H CB 0.905 30.506 29.762 -0.270 0.000 1.404 650 H HN 0.884 nan 8.280 nan 0.000 0.459 651 S N 2.273 118.086 115.700 0.189 0.000 4.059 651 S HA -0.395 4.077 4.470 0.004 0.000 0.624 651 S C 2.105 176.910 174.600 0.341 0.000 2.019 651 S CA 1.688 60.074 58.200 0.311 0.000 4.197 651 S CB -1.292 62.175 63.200 0.445 0.000 0.215 651 S HN 0.973 nan 8.310 nan 0.000 0.609 652 Q N 1.825 121.813 119.800 0.314 0.000 2.297 652 Q HA -0.043 4.299 4.340 0.004 0.000 0.208 652 Q C 1.996 178.179 176.000 0.305 0.000 0.981 652 Q CA 2.177 58.141 55.803 0.269 0.000 0.876 652 Q CB -1.188 27.667 28.738 0.195 0.000 0.921 652 Q HN 0.920 nan 8.270 nan 0.000 0.446 653 G N 1.166 110.162 108.800 0.327 0.000 2.501 653 G HA2 -0.242 3.720 3.960 0.004 0.000 0.220 653 G HA3 -0.242 3.720 3.960 0.004 0.000 0.220 653 G C 1.153 176.282 174.900 0.382 0.000 1.114 653 G CA 0.612 45.926 45.100 0.357 0.000 0.757 653 G HN 0.503 nan 8.290 nan 0.000 0.559 654 E N -0.171 120.301 120.200 0.454 0.000 2.204 654 E HA -0.045 4.307 4.350 0.004 0.000 0.194 654 E C 2.407 179.419 176.600 0.686 0.000 0.989 654 E CA 0.250 57.022 56.400 0.620 0.000 0.824 654 E CB -0.077 30.089 29.700 0.776 0.000 0.756 654 E HN 0.536 nan 8.360 nan 0.000 0.477 655 I N 1.103 121.933 120.570 0.434 0.000 2.179 655 I HA -0.284 3.888 4.170 0.004 0.000 0.242 655 I C 2.592 178.903 176.117 0.323 0.000 1.088 655 I CA 1.127 62.456 61.300 0.049 0.000 1.357 655 I CB -0.333 37.522 38.000 -0.242 0.000 1.051 655 I HN 0.057 nan 8.210 nan 0.000 0.409 656 A N 0.747 123.802 122.820 0.392 0.000 1.877 656 A HA -0.156 4.166 4.320 0.004 0.000 0.216 656 A C 2.569 179.945 177.584 -0.347 0.000 1.186 656 A CA 1.839 53.953 52.037 0.128 0.000 0.620 656 A CB -0.986 18.029 19.000 0.024 0.000 0.822 656 A HN 0.423 nan 8.150 nan 0.000 0.443 657 A N 0.132 122.635 122.820 -0.528 0.000 1.869 657 A HA -0.018 4.304 4.320 0.004 0.000 0.218 657 A C 2.576 180.195 177.584 0.058 0.000 1.203 657 A CA 2.944 54.639 52.037 -0.569 0.000 0.638 657 A CB -1.365 17.629 19.000 -0.010 0.000 0.831 657 A HN 1.274 nan 8.150 nan 0.000 0.450 658 A N -1.302 121.776 122.820 0.429 0.000 1.917 658 A HA -0.261 4.061 4.320 0.004 0.000 0.219 658 A C 2.048 179.737 177.584 0.174 0.000 1.182 658 A CA 2.424 54.658 52.037 0.329 0.000 0.633 658 A CB -0.956 18.282 19.000 0.397 0.000 0.819 658 A HN 0.856 nan 8.150 nan 0.000 0.448 659 H N -1.033 118.100 119.070 0.105 0.000 2.423 659 H HA 0.008 4.566 4.556 0.004 0.000 0.297 659 H C 1.730 177.085 175.328 0.046 0.000 1.075 659 H CA 1.668 57.769 56.048 0.088 0.000 1.342 659 H CB -0.005 29.869 29.762 0.186 0.000 1.395 659 H HN 0.149 nan 8.280 nan 0.000 0.530 660 V N 0.208 120.124 119.914 0.003 0.000 2.488 660 V HA -0.104 4.018 4.120 0.004 0.000 0.246 660 V C 2.571 178.662 176.094 -0.005 0.000 1.046 660 V CA 1.319 63.622 62.300 0.004 0.000 1.053 660 V CB -0.830 31.081 31.823 0.145 0.000 0.679 660 V HN 0.667 nan 8.190 nan 0.000 0.458 661 A N -0.316 122.528 122.820 0.040 0.000 2.070 661 A HA 0.165 4.487 4.320 0.004 0.000 0.220 661 A C 1.981 179.551 177.584 -0.023 0.000 1.159 661 A CA 1.442 53.505 52.037 0.044 0.000 0.656 661 A CB -0.698 18.385 19.000 0.139 0.000 0.800 661 A HN 1.356 nan 8.150 nan 0.000 0.453 662 G N -2.608 106.142 108.800 -0.082 0.000 2.142 662 G HA2 0.052 4.014 3.960 0.004 0.000 0.225 662 G HA3 0.052 4.014 3.960 0.004 0.000 0.225 662 G C 0.834 175.691 174.900 -0.073 0.000 1.015 662 G CA 0.724 45.745 45.100 -0.131 0.000 0.716 662 G HN 1.413 nan 8.290 nan 0.000 0.508 663 A N -0.877 121.914 122.820 -0.048 0.000 2.167 663 A HA 0.633 4.955 4.320 0.004 0.000 0.214 663 A C 0.992 178.573 177.584 -0.006 0.000 1.151 663 A CA 1.060 53.067 52.037 -0.050 0.000 0.735 663 A CB 0.115 19.044 19.000 -0.119 0.000 0.802 663 A HN 0.895 nan 8.150 nan 0.000 0.467 664 L N 0.675 121.911 121.223 0.023 0.000 2.438 664 L HA 0.311 4.654 4.340 0.004 0.000 0.270 664 L C 0.279 177.234 176.870 0.142 0.000 0.972 664 L CA -0.845 54.039 54.840 0.073 0.000 0.831 664 L CB 2.080 44.190 42.059 0.086 0.000 1.273 664 L HN 0.239 nan 8.230 nan 0.000 0.405 665 T N -1.139 113.479 114.554 0.106 0.000 2.791 665 T HA 0.025 4.377 4.350 0.004 0.000 0.323 665 T C 1.016 175.873 174.700 0.261 0.000 1.082 665 T CA -0.405 61.785 62.100 0.149 0.000 1.084 665 T CB 0.983 69.890 68.868 0.065 0.000 0.992 665 T HN 0.462 nan 8.240 nan 0.000 0.547 666 L N 0.997 122.378 121.223 0.264 0.000 2.131 666 L HA 0.002 4.344 4.340 0.004 0.000 0.210 666 L C 2.584 179.427 176.870 -0.045 0.000 1.092 666 L CA 1.714 56.572 54.840 0.031 0.000 0.759 666 L CB -1.031 41.036 42.059 0.014 0.000 0.903 666 L HN 0.858 nan 8.230 nan 0.000 0.435 667 E N -1.233 118.953 120.200 -0.022 0.000 2.208 667 E HA -0.164 4.188 4.350 0.004 0.000 0.193 667 E C 1.424 177.964 176.600 -0.100 0.000 0.988 667 E CA 1.034 57.394 56.400 -0.067 0.000 0.828 667 E CB -0.110 29.561 29.700 -0.048 0.000 0.763 667 E HN 0.506 nan 8.360 nan 0.000 0.478 668 D N 0.929 121.283 120.400 -0.078 0.000 2.149 668 D HA -0.003 4.639 4.640 0.004 0.000 0.206 668 D C 2.047 178.212 176.300 -0.226 0.000 0.967 668 D CA 1.165 55.096 54.000 -0.115 0.000 0.848 668 D CB -0.376 40.387 40.800 -0.062 0.000 0.998 668 D HN 0.123 nan 8.370 nan 0.000 0.474 669 A N 1.574 124.261 122.820 -0.222 0.000 1.881 669 A HA -0.264 4.058 4.320 0.004 0.000 0.219 669 A C 2.338 179.521 177.584 -0.669 0.000 1.215 669 A CA 3.189 54.972 52.037 -0.423 0.000 0.648 669 A CB -1.096 17.785 19.000 -0.198 0.000 0.832 669 A HN 0.265 nan 8.150 nan 0.000 0.455 670 A N -0.841 121.672 122.820 -0.510 0.000 1.865 670 A HA -0.216 4.106 4.320 0.004 0.000 0.217 670 A C 2.143 179.520 177.584 -0.345 0.000 1.191 670 A CA 2.256 54.023 52.037 -0.451 0.000 0.623 670 A CB -0.607 18.234 19.000 -0.266 0.000 0.826 670 A HN 0.592 nan 8.150 nan 0.000 0.444 671 K N -0.415 119.828 120.400 -0.262 0.000 2.015 671 K HA -0.203 4.119 4.320 0.004 0.000 0.216 671 K C 1.973 178.436 176.600 -0.227 0.000 1.052 671 K CA 1.958 58.123 56.287 -0.202 0.000 0.937 671 K CB -0.448 31.959 32.500 -0.156 0.000 0.719 671 K HN 0.506 nan 8.250 nan 0.000 0.446 672 L N 0.120 121.159 121.223 -0.305 0.000 1.971 672 L HA -0.230 4.113 4.340 0.004 0.000 0.215 672 L C 2.520 179.205 176.870 -0.309 0.000 1.072 672 L CA 1.378 56.012 54.840 -0.343 0.000 0.758 672 L CB -0.709 41.002 42.059 -0.581 0.000 0.889 672 L HN 0.159 nan 8.230 nan 0.000 0.433 673 V N -0.469 119.199 119.914 -0.409 0.000 2.407 673 V HA -0.216 3.906 4.120 0.004 0.000 0.248 673 V C 2.325 178.309 176.094 -0.184 0.000 1.055 673 V CA 1.569 63.676 62.300 -0.323 0.000 1.049 673 V CB 0.269 31.793 31.823 -0.498 0.000 0.662 673 V HN 0.214 nan 8.190 nan 0.000 0.455 674 V N 0.247 120.049 119.914 -0.186 0.000 2.346 674 V HA -0.023 4.099 4.120 0.004 0.000 0.244 674 V C 2.655 178.701 176.094 -0.081 0.000 1.037 674 V CA 1.777 64.015 62.300 -0.104 0.000 1.029 674 V CB -1.318 30.432 31.823 -0.121 0.000 0.663 674 V HN 0.594 nan 8.190 nan 0.000 0.454 675 G N 0.213 108.952 108.800 -0.101 0.000 2.491 675 G HA2 -0.349 3.614 3.960 0.004 0.000 0.218 675 G HA3 -0.349 3.614 3.960 0.004 0.000 0.218 675 G C 1.697 176.560 174.900 -0.061 0.000 1.180 675 G CA 1.267 46.323 45.100 -0.073 0.000 0.774 675 G HN 0.442 nan 8.290 nan 0.000 0.562 676 R N 0.702 121.160 120.500 -0.070 0.000 2.080 676 R HA -0.123 4.219 4.340 0.004 0.000 0.236 676 R C 2.903 179.155 176.300 -0.080 0.000 1.137 676 R CA 2.265 58.331 56.100 -0.057 0.000 0.943 676 R CB -0.418 29.855 30.300 -0.046 0.000 0.846 676 R HN 0.488 nan 8.270 nan 0.000 0.431 677 S N 0.156 115.813 115.700 -0.073 0.000 2.428 677 S HA -0.000 4.472 4.470 0.004 0.000 0.230 677 S C 1.915 176.472 174.600 -0.072 0.000 1.014 677 S CA 0.179 58.329 58.200 -0.084 0.000 0.957 677 S CB -0.167 63.015 63.200 -0.030 0.000 0.784 677 S HN 0.289 nan 8.310 nan 0.000 0.499 678 R N 1.437 121.914 120.500 -0.039 0.000 2.105 678 R HA 0.079 4.421 4.340 0.004 0.000 0.239 678 R C 2.241 178.512 176.300 -0.049 0.000 1.135 678 R CA 1.118 57.203 56.100 -0.024 0.000 0.967 678 R CB -1.259 29.036 30.300 -0.008 0.000 0.861 678 R HN 0.473 nan 8.270 nan 0.000 0.442 679 L N 0.094 121.278 121.223 -0.065 0.000 1.994 679 L HA -0.212 4.130 4.340 0.004 0.000 0.208 679 L C 2.504 179.300 176.870 -0.123 0.000 1.071 679 L CA 1.131 55.928 54.840 -0.072 0.000 0.745 679 L CB -0.505 41.519 42.059 -0.058 0.000 0.892 679 L HN 0.060 nan 8.230 nan 0.000 0.431 680 M N -0.464 119.003 119.600 -0.222 0.000 2.108 680 M HA -0.274 4.208 4.480 0.004 0.000 0.257 680 M C 2.322 178.461 176.300 -0.268 0.000 1.071 680 M CA 1.630 56.667 55.300 -0.438 0.000 1.093 680 M CB -1.323 30.781 32.600 -0.827 0.000 1.345 680 M HN 0.188 nan 8.290 nan 0.000 0.403 681 R N 0.017 120.428 120.500 -0.147 0.000 2.120 681 R HA -0.140 4.202 4.340 0.004 0.000 0.234 681 R C 2.379 178.665 176.300 -0.023 0.000 1.123 681 R CA 1.854 57.924 56.100 -0.049 0.000 0.975 681 R CB -0.097 30.189 30.300 -0.023 0.000 0.866 681 R HN 0.564 nan 8.270 nan 0.000 0.446 682 S N 0.472 116.152 115.700 -0.033 0.000 2.368 682 S HA -0.119 4.353 4.470 0.004 0.000 0.224 682 S C 1.810 176.409 174.600 -0.002 0.000 1.029 682 S CA 0.882 59.073 58.200 -0.014 0.000 0.988 682 S CB -0.397 62.793 63.200 -0.016 0.000 0.838 682 S HN 0.351 nan 8.310 nan 0.000 0.462 683 L N 3.147 124.362 121.223 -0.012 0.000 2.711 683 L HA 0.143 4.485 4.340 0.004 0.000 0.242 683 L C 0.939 177.852 176.870 0.072 0.000 1.153 683 L CA 0.054 54.908 54.840 0.023 0.000 0.898 683 L CB -0.832 41.238 42.059 0.019 0.000 1.044 683 L HN 0.411 nan 8.230 nan 0.000 0.437 684 S N -0.403 115.337 115.700 0.066 0.000 2.516 684 S HA 0.445 4.917 4.470 0.004 0.000 0.282 684 S C 1.253 175.893 174.600 0.067 0.000 1.286 684 S CA -0.021 58.237 58.200 0.096 0.000 1.066 684 S CB 1.169 64.414 63.200 0.076 0.000 0.884 684 S HN 0.526 nan 8.310 nan 0.000 0.491 685 G N 3.348 112.189 108.800 0.069 0.000 2.308 685 G HA2 -0.273 3.689 3.960 0.004 0.000 0.221 685 G HA3 -0.273 3.689 3.960 0.004 0.000 0.221 685 G C 0.701 175.625 174.900 0.040 0.000 1.032 685 G CA 0.204 45.329 45.100 0.042 0.000 0.623 685 G HN 0.664 nan 8.290 nan 0.000 0.506 686 E N 0.759 120.990 120.200 0.052 0.000 2.160 686 E HA 0.231 4.583 4.350 0.004 0.000 0.195 686 E C 1.554 178.180 176.600 0.044 0.000 0.991 686 E CA 0.961 57.389 56.400 0.047 0.000 0.810 686 E CB -0.010 29.720 29.700 0.050 0.000 0.742 686 E HN 0.792 nan 8.360 nan 0.000 0.466 687 G N -0.953 107.878 108.800 0.051 0.000 2.749 687 G HA2 0.612 4.574 3.960 0.004 0.000 0.300 687 G HA3 0.612 4.574 3.960 0.004 0.000 0.300 687 G C -1.003 173.891 174.900 -0.010 0.000 1.352 687 G CA -0.224 44.892 45.100 0.028 0.000 0.789 687 G HN 0.220 nan 8.290 nan 0.000 0.509 688 G N -1.430 107.346 108.800 -0.041 0.000 2.601 688 G HA2 0.603 4.566 3.960 0.004 0.000 0.291 688 G HA3 0.603 4.566 3.960 0.004 0.000 0.291 688 G C -1.409 173.438 174.900 -0.089 0.000 1.456 688 G CA -0.704 44.346 45.100 -0.083 0.000 0.804 688 G HN 0.600 nan 8.290 nan 0.000 0.499 689 M N -0.104 119.434 119.600 -0.104 0.000 2.550 689 M HA 0.771 5.253 4.480 0.004 0.000 0.292 689 M C -0.434 175.835 176.300 -0.052 0.000 1.221 689 M CA -0.672 54.581 55.300 -0.079 0.000 0.873 689 M CB 2.815 35.358 32.600 -0.095 0.000 1.727 689 M HN 1.090 nan 8.290 nan 0.000 0.459 690 A N 1.187 123.993 122.820 -0.022 0.000 2.589 690 A HA 0.895 5.218 4.320 0.004 0.000 0.296 690 A C -1.519 176.079 177.584 0.024 0.000 1.062 690 A CA -0.733 51.308 52.037 0.006 0.000 0.686 690 A CB 1.295 20.320 19.000 0.041 0.000 1.282 690 A HN 0.926 nan 8.150 nan 0.000 0.404 691 A N 0.937 123.770 122.820 0.021 0.000 2.328 691 A HA 0.634 4.957 4.320 0.004 0.000 0.284 691 A C -0.406 177.207 177.584 0.048 0.000 1.160 691 A CA -0.286 51.769 52.037 0.030 0.000 0.818 691 A CB 0.263 19.271 19.000 0.013 0.000 1.087 691 A HN 1.423 nan 8.150 nan 0.000 0.504 692 V N 2.178 122.131 119.914 0.065 0.000 2.448 692 V HA 0.506 4.629 4.120 0.004 0.000 0.295 692 V C 0.730 176.856 176.094 0.054 0.000 1.025 692 V CA -0.253 62.092 62.300 0.076 0.000 0.859 692 V CB 1.485 33.392 31.823 0.141 0.000 0.988 692 V HN 1.104 nan 8.190 nan 0.000 0.431 693 A N 5.776 128.617 122.820 0.035 0.000 3.052 693 A HA 0.571 4.893 4.320 0.004 0.000 0.266 693 A C -0.474 177.130 177.584 0.032 0.000 1.855 693 A CA 0.380 52.433 52.037 0.028 0.000 1.473 693 A CB -0.803 18.206 19.000 0.015 0.000 1.038 693 A HN 0.648 nan 8.150 nan 0.000 0.619 694 L N -0.220 121.030 121.223 0.044 0.000 2.622 694 L HA 0.687 5.029 4.340 0.004 0.000 0.258 694 L C 0.359 177.258 176.870 0.049 0.000 0.996 694 L CA 0.067 54.935 54.840 0.048 0.000 0.858 694 L CB 1.491 43.589 42.059 0.065 0.000 1.449 694 L HN 0.418 nan 8.230 nan 0.000 0.411 695 G N 0.380 109.206 108.800 0.044 0.000 2.503 695 G HA2 0.283 4.245 3.960 0.004 0.000 0.257 695 G HA3 0.283 4.245 3.960 0.004 0.000 0.257 695 G C 0.454 175.382 174.900 0.046 0.000 1.214 695 G CA 0.279 45.403 45.100 0.040 0.000 0.839 695 G HN 0.858 nan 8.290 nan 0.000 0.559 696 E N 0.975 121.199 120.200 0.040 0.000 2.070 696 E HA -0.230 4.122 4.350 0.004 0.000 0.197 696 E C 2.575 179.200 176.600 0.042 0.000 1.004 696 E CA 1.556 57.980 56.400 0.039 0.000 0.805 696 E CB -0.136 29.582 29.700 0.030 0.000 0.744 696 E HN 0.514 nan 8.360 nan 0.000 0.451 697 A N 1.035 123.878 122.820 0.038 0.000 1.902 697 A HA -0.074 4.248 4.320 0.004 0.000 0.217 697 A C 2.376 179.991 177.584 0.051 0.000 1.181 697 A CA 1.847 53.908 52.037 0.039 0.000 0.623 697 A CB -0.703 18.316 19.000 0.031 0.000 0.818 697 A HN 0.432 nan 8.150 nan 0.000 0.443 698 A N -0.599 122.254 122.820 0.055 0.000 1.898 698 A HA 0.022 4.344 4.320 0.004 0.000 0.216 698 A C 2.215 179.859 177.584 0.099 0.000 1.181 698 A CA 1.688 53.766 52.037 0.068 0.000 0.620 698 A CB -0.930 18.107 19.000 0.060 0.000 0.819 698 A HN 0.374 nan 8.150 nan 0.000 0.442 699 V N -0.019 119.958 119.914 0.104 0.000 2.343 699 V HA -0.275 3.847 4.120 0.004 0.000 0.247 699 V C 2.649 178.815 176.094 0.121 0.000 1.051 699 V CA 2.294 64.680 62.300 0.142 0.000 1.036 699 V CB -0.789 31.103 31.823 0.115 0.000 0.654 699 V HN 0.519 nan 8.190 nan 0.000 0.451 700 R N 0.222 120.770 120.500 0.080 0.000 2.096 700 R HA -0.199 4.143 4.340 0.004 0.000 0.235 700 R C 2.347 178.694 176.300 0.078 0.000 1.127 700 R CA 1.729 57.867 56.100 0.064 0.000 0.968 700 R CB -0.224 30.102 30.300 0.044 0.000 0.861 700 R HN 0.825 nan 8.270 nan 0.000 0.440 701 E N 0.327 120.577 120.200 0.083 0.000 2.150 701 E HA -0.163 4.189 4.350 0.004 0.000 0.193 701 E C 1.680 178.357 176.600 0.128 0.000 0.985 701 E CA 1.009 57.459 56.400 0.084 0.000 0.814 701 E CB -0.212 29.528 29.700 0.066 0.000 0.752 701 E HN 0.219 nan 8.360 nan 0.000 0.466 702 R N 0.459 121.071 120.500 0.187 0.000 2.115 702 R HA 0.081 4.423 4.340 0.004 0.000 0.230 702 R C 2.064 178.620 176.300 0.428 0.000 1.111 702 R CA 1.081 57.370 56.100 0.316 0.000 0.976 702 R CB -0.293 30.256 30.300 0.414 0.000 0.870 702 R HN 0.269 nan 8.270 nan 0.000 0.445 703 L N 0.251 121.639 121.223 0.275 0.000 2.599 703 L HA 0.059 4.402 4.340 0.004 0.000 0.230 703 L C 2.083 179.104 176.870 0.252 0.000 1.141 703 L CA 0.336 55.328 54.840 0.254 0.000 0.877 703 L CB -0.169 41.905 42.059 0.025 0.000 1.009 703 L HN 0.119 nan 8.230 nan 0.000 0.447 704 R N 0.726 121.315 120.500 0.148 0.000 2.081 704 R HA -0.139 4.203 4.340 0.004 0.000 0.235 704 R C -0.357 175.931 176.300 -0.021 0.000 1.131 704 R CA 1.261 57.396 56.100 0.058 0.000 0.960 704 R CB -1.408 28.909 30.300 0.029 0.000 0.856 704 R HN 0.312 nan 8.270 nan 0.000 0.436 705 P HA -0.145 nan 4.420 nan 0.000 0.229 705 P C -0.231 176.778 177.300 -0.486 0.000 1.150 705 P CA 0.990 63.816 63.100 -0.457 0.000 0.765 705 P CB 0.136 31.297 31.700 -0.898 0.000 0.783 706 W N -1.505 119.800 121.300 0.009 0.000 2.941 706 W HA 0.372 5.034 4.660 0.004 0.000 0.352 706 W C 0.968 177.478 176.519 -0.015 0.000 1.368 706 W CA -0.276 57.067 57.345 -0.005 0.000 1.232 706 W CB 0.871 30.320 29.460 -0.020 0.000 1.586 706 W HN -0.239 nan 8.180 nan 0.000 0.649 707 Q N -0.564 119.380 119.800 0.240 0.000 1.580 707 Q HA -0.045 4.297 4.340 0.004 0.000 0.161 707 Q C 0.387 176.445 176.000 0.097 0.000 0.694 707 Q CA 0.172 56.048 55.803 0.122 0.000 0.719 707 Q CB -0.346 28.441 28.738 0.081 0.000 1.184 707 Q HN 0.480 nan 8.270 nan 0.000 0.367 708 D N 1.102 121.581 120.400 0.131 0.000 2.358 708 D HA 0.045 4.687 4.640 0.004 0.000 0.241 708 D C 0.414 176.724 176.300 0.016 0.000 1.094 708 D CA 0.656 54.703 54.000 0.079 0.000 0.907 708 D CB 0.240 41.102 40.800 0.104 0.000 0.893 708 D HN -0.032 nan 8.370 nan 0.000 0.528 709 R N -0.162 120.344 120.500 0.011 0.000 2.455 709 R HA 0.030 4.372 4.340 0.004 0.000 0.256 709 R C -0.655 175.599 176.300 -0.077 0.000 0.804 709 R CA -0.285 55.766 56.100 -0.082 0.000 0.986 709 R CB -0.489 29.674 30.300 -0.230 0.000 1.350 709 R HN 0.071 nan 8.270 nan 0.000 0.632 710 L N 2.368 123.585 121.223 -0.011 0.000 2.546 710 L HA 0.098 4.440 4.340 0.004 0.000 0.272 710 L C 0.678 177.530 176.870 -0.031 0.000 1.327 710 L CA 0.398 55.230 54.840 -0.013 0.000 1.199 710 L CB 0.093 42.161 42.059 0.016 0.000 1.401 710 L HN 0.230 nan 8.230 nan 0.000 0.440 711 S N 1.684 117.337 115.700 -0.078 0.000 2.184 711 S HA 0.234 4.707 4.470 0.004 0.000 0.159 711 S C 0.740 175.317 174.600 -0.039 0.000 1.364 711 S CA 0.009 58.173 58.200 -0.060 0.000 2.236 711 S CB -0.374 62.758 63.200 -0.112 0.000 0.365 711 S HN 0.677 nan 8.310 nan 0.000 0.359 712 V N 0.983 120.869 119.914 -0.046 0.000 5.981 712 V HA -0.179 3.943 4.120 0.004 0.000 0.233 712 V C 1.347 177.435 176.094 -0.011 0.000 0.653 712 V CA 0.226 62.514 62.300 -0.019 0.000 0.677 712 V CB -2.963 28.855 31.823 -0.009 0.000 0.632 712 V HN 0.984 nan 8.190 nan 0.000 0.464 713 A N 0.935 123.752 122.820 -0.006 0.000 1.854 713 A HA 0.540 4.862 4.320 0.004 0.000 0.214 713 A C 1.204 178.714 177.584 -0.124 0.000 1.192 713 A CA 1.683 53.716 52.037 -0.006 0.000 0.611 713 A CB 0.159 19.191 19.000 0.053 0.000 0.832 713 A HN 2.337 nan 8.150 nan 0.000 0.442 714 A N -1.410 121.376 122.820 -0.056 0.000 2.486 714 A HA 0.589 4.911 4.320 0.004 0.000 0.300 714 A C -1.231 176.371 177.584 0.031 0.000 1.048 714 A CA -0.372 51.641 52.037 -0.039 0.000 0.696 714 A CB 1.601 20.637 19.000 0.060 0.000 1.278 714 A HN 0.480 nan 8.150 nan 0.000 0.405 715 V N 3.305 123.247 119.914 0.047 0.000 2.326 715 V HA 0.303 4.425 4.120 0.004 0.000 0.281 715 V C -0.087 176.096 176.094 0.148 0.000 1.015 715 V CA -0.624 61.721 62.300 0.076 0.000 0.823 715 V CB 1.047 32.896 31.823 0.045 0.000 1.009 715 V HN 0.908 nan 8.190 nan 0.000 0.436 716 N N 3.303 122.107 118.700 0.173 0.000 2.250 716 N HA 0.318 5.060 4.740 0.004 0.000 0.190 716 N C 0.626 176.245 175.510 0.182 0.000 1.116 716 N CA 0.780 53.996 53.050 0.277 0.000 0.881 716 N CB 2.110 40.752 38.487 0.258 0.000 1.006 716 N HN 0.798 nan 8.380 nan 0.000 0.491 717 G N 0.332 109.192 108.800 0.101 0.000 2.320 717 G HA2 0.207 4.169 3.960 0.004 0.000 0.296 717 G HA3 0.207 4.169 3.960 0.004 0.000 0.296 717 G C -2.504 172.421 174.900 0.041 0.000 1.306 717 G CA -0.574 44.559 45.100 0.055 0.000 0.836 717 G HN -0.243 nan 8.290 nan 0.000 0.517 718 P HA 0.095 nan 4.420 nan 0.000 0.222 718 P C 1.061 178.378 177.300 0.029 0.000 1.153 718 P CA 0.737 63.850 63.100 0.023 0.000 0.798 718 P CB 0.306 32.014 31.700 0.013 0.000 0.796 719 R N -0.742 119.776 120.500 0.030 0.000 2.700 719 R HA 0.383 4.725 4.340 0.004 0.000 0.377 719 R C -0.078 176.244 176.300 0.036 0.000 1.130 719 R CA -0.045 56.073 56.100 0.030 0.000 1.055 719 R CB -0.209 30.104 30.300 0.022 0.000 1.387 719 R HN -0.009 nan 8.270 nan 0.000 0.580 720 S N 0.004 115.731 115.700 0.045 0.000 2.511 720 S HA 0.417 4.890 4.470 0.004 0.000 0.233 720 S C -1.400 173.237 174.600 0.061 0.000 1.104 720 S CA -0.388 57.843 58.200 0.050 0.000 1.129 720 S CB 0.593 63.826 63.200 0.054 0.000 1.159 720 S HN -0.087 nan 8.310 nan 0.000 0.451 721 V N 4.932 124.880 119.914 0.057 0.000 2.686 721 V HA 0.583 4.705 4.120 0.004 0.000 0.306 721 V C -0.384 175.739 176.094 0.049 0.000 1.065 721 V CA -0.665 61.668 62.300 0.056 0.000 0.894 721 V CB 2.177 34.034 31.823 0.056 0.000 1.004 721 V HN 0.646 nan 8.190 nan 0.000 0.424 722 V N 5.138 125.075 119.914 0.039 0.000 2.532 722 V HA 0.636 4.759 4.120 0.004 0.000 0.295 722 V C -0.167 175.930 176.094 0.004 0.000 1.041 722 V CA -0.562 61.754 62.300 0.026 0.000 0.926 722 V CB 1.878 33.718 31.823 0.028 0.000 0.992 722 V HN 0.575 nan 8.190 nan 0.000 0.457 723 V N 2.795 122.702 119.914 -0.012 0.000 2.823 723 V HA 0.746 4.868 4.120 0.004 0.000 0.312 723 V C -0.300 175.748 176.094 -0.076 0.000 1.072 723 V CA -0.172 62.084 62.300 -0.074 0.000 0.937 723 V CB 2.381 34.120 31.823 -0.140 0.000 1.013 723 V HN 0.911 nan 8.190 nan 0.000 0.430 724 S N 1.449 117.093 115.700 -0.094 0.000 2.543 724 S HA 0.899 5.371 4.470 0.004 0.000 0.271 724 S C -0.280 174.277 174.600 -0.071 0.000 1.148 724 S CA 0.331 58.498 58.200 -0.053 0.000 0.914 724 S CB 1.549 64.758 63.200 0.015 0.000 1.096 724 S HN 1.550 nan 8.310 nan 0.000 0.471 725 G N 2.254 111.016 108.800 -0.063 0.000 2.344 725 G HA2 0.243 4.205 3.960 0.004 0.000 0.282 725 G HA3 0.243 4.205 3.960 0.004 0.000 0.282 725 G C -1.625 173.246 174.900 -0.049 0.000 1.281 725 G CA -0.802 44.266 45.100 -0.055 0.000 0.877 725 G HN 0.677 nan 8.290 nan 0.000 0.494 726 E N 0.834 121.010 120.200 -0.041 0.000 2.384 726 E HA 0.268 4.620 4.350 0.004 0.000 0.266 726 E C -1.336 175.235 176.600 -0.049 0.000 1.012 726 E CA -1.553 54.833 56.400 -0.024 0.000 0.901 726 E CB 1.503 31.205 29.700 0.003 0.000 0.967 726 E HN 0.039 nan 8.360 nan 0.000 0.435 727 P HA -0.211 nan 4.420 nan 0.000 0.217 727 P C 1.037 178.313 177.300 -0.041 0.000 1.158 727 P CA 1.780 64.859 63.100 -0.035 0.000 0.887 727 P CB 0.076 31.767 31.700 -0.015 0.000 0.792 728 G N -1.039 107.749 108.800 -0.020 0.000 2.470 728 G HA2 -0.145 3.817 3.960 0.004 0.000 0.220 728 G HA3 -0.145 3.817 3.960 0.004 0.000 0.220 728 G C 1.463 176.349 174.900 -0.023 0.000 1.121 728 G CA 0.841 45.940 45.100 -0.001 0.000 0.766 728 G HN 0.384 nan 8.290 nan 0.000 0.553 729 A N -0.349 122.409 122.820 -0.103 0.000 2.044 729 A HA 0.422 4.744 4.320 0.004 0.000 0.213 729 A C 2.129 179.418 177.584 -0.491 0.000 1.169 729 A CA 0.672 52.508 52.037 -0.336 0.000 0.724 729 A CB -0.120 18.681 19.000 -0.332 0.000 0.840 729 A HN 0.303 nan 8.150 nan 0.000 0.463 730 L N 0.339 121.406 121.223 -0.259 0.000 1.988 730 L HA -0.062 4.280 4.340 0.004 0.000 0.207 730 L C 2.517 179.347 176.870 -0.067 0.000 1.071 730 L CA 2.415 57.160 54.840 -0.160 0.000 0.744 730 L CB -0.536 41.464 42.059 -0.099 0.000 0.893 730 L HN 0.469 nan 8.230 nan 0.000 0.433 731 R N 0.255 120.718 120.500 -0.061 0.000 2.119 731 R HA -0.182 4.160 4.340 0.004 0.000 0.246 731 R C 1.944 178.224 176.300 -0.033 0.000 1.146 731 R CA 2.036 58.115 56.100 -0.034 0.000 0.962 731 R CB -0.870 29.419 30.300 -0.018 0.000 0.863 731 R HN 0.435 nan 8.270 nan 0.000 0.442 732 A N -0.707 122.090 122.820 -0.038 0.000 2.067 732 A HA 0.013 4.335 4.320 0.004 0.000 0.217 732 A C 1.956 179.554 177.584 0.024 0.000 1.156 732 A CA 0.970 53.031 52.037 0.041 0.000 0.683 732 A CB -0.636 18.466 19.000 0.171 0.000 0.808 732 A HN 0.601 nan 8.150 nan 0.000 0.455 733 F N 0.708 120.435 119.950 -0.372 0.000 2.374 733 F HA 0.022 4.551 4.527 0.004 0.000 0.291 733 F C 2.442 178.139 175.800 -0.172 0.000 1.084 733 F CA 1.496 59.215 58.000 -0.469 0.000 1.413 733 F CB -0.281 38.110 39.000 -1.015 0.000 1.099 733 F HN 0.223 nan 8.300 nan 0.000 0.534 734 S N 0.365 115.874 115.700 -0.318 0.000 2.345 734 S HA -0.144 4.328 4.470 0.004 0.000 0.219 734 S C 1.821 176.272 174.600 -0.248 0.000 1.031 734 S CA 1.054 59.047 58.200 -0.344 0.000 0.984 734 S CB -0.836 62.317 63.200 -0.078 0.000 0.874 734 S HN 0.476 nan 8.310 nan 0.000 0.451 735 E N 1.680 121.801 120.200 -0.131 0.000 2.070 735 E HA -0.215 4.137 4.350 0.004 0.000 0.197 735 E C 1.788 178.334 176.600 -0.090 0.000 1.004 735 E CA 1.351 57.703 56.400 -0.080 0.000 0.805 735 E CB -0.822 28.859 29.700 -0.031 0.000 0.744 735 E HN 0.652 nan 8.360 nan 0.000 0.451 736 D N -0.120 120.224 120.400 -0.094 0.000 2.271 736 D HA -0.132 4.510 4.640 0.004 0.000 0.207 736 D C 0.513 176.746 176.300 -0.112 0.000 0.983 736 D CA 0.679 54.651 54.000 -0.047 0.000 0.878 736 D CB 0.128 40.970 40.800 0.070 0.000 0.920 736 D HN 0.131 nan 8.370 nan 0.000 0.479 737 C N 0.164 119.325 119.300 -0.232 0.000 2.638 737 C HA 0.538 5.000 4.460 0.004 0.000 0.282 737 C C 1.804 176.716 174.990 -0.130 0.000 1.473 737 C CA -0.587 58.324 59.018 -0.178 0.000 1.781 737 C CB -0.354 27.265 27.740 -0.202 0.000 2.780 737 C HN 0.264 nan 8.230 nan 0.000 0.531 738 A N 0.874 123.632 122.820 -0.102 0.000 1.898 738 A HA 0.448 4.770 4.320 0.004 0.000 0.214 738 A C 1.546 179.103 177.584 -0.046 0.000 1.183 738 A CA 1.084 53.081 52.037 -0.066 0.000 0.622 738 A CB -0.446 18.522 19.000 -0.054 0.000 0.824 738 A HN 0.630 nan 8.150 nan 0.000 0.444 739 A N -0.763 122.033 122.820 -0.039 0.000 2.507 739 A HA 0.354 4.677 4.320 0.004 0.000 0.235 739 A C 0.819 178.385 177.584 -0.031 0.000 1.070 739 A CA 0.790 52.812 52.037 -0.026 0.000 0.768 739 A CB -0.255 18.735 19.000 -0.016 0.000 1.011 739 A HN 0.605 nan 8.150 nan 0.000 0.502 740 E N -0.321 119.867 120.200 -0.020 0.000 3.870 740 E HA -0.310 4.042 4.350 0.004 0.000 0.329 740 E C 1.087 177.673 176.600 -0.023 0.000 0.702 740 E CA 1.480 57.869 56.400 -0.019 0.000 1.174 740 E CB -1.798 27.890 29.700 -0.020 0.000 1.619 740 E HN 2.324 nan 8.360 nan 0.000 0.441 741 G N 0.701 109.484 108.800 -0.029 0.000 2.212 741 G HA2 -0.335 3.627 3.960 0.004 0.000 0.267 741 G HA3 -0.335 3.627 3.960 0.004 0.000 0.267 741 G C 0.298 175.181 174.900 -0.029 0.000 1.002 741 G CA 0.706 45.789 45.100 -0.027 0.000 0.729 741 G HN 0.425 nan 8.290 nan 0.000 0.517 742 I N 0.624 121.170 120.570 -0.040 0.000 2.517 742 I HA 0.126 4.298 4.170 0.004 0.000 0.285 742 I C 1.338 177.426 176.117 -0.047 0.000 1.106 742 I CA -0.453 60.824 61.300 -0.039 0.000 1.402 742 I CB 0.674 38.647 38.000 -0.045 0.000 1.399 742 I HN 0.144 nan 8.210 nan 0.000 0.535 743 R N 6.863 127.347 120.500 -0.027 0.000 2.370 743 R HA 0.319 4.661 4.340 0.004 0.000 0.309 743 R C -1.055 175.232 176.300 -0.023 0.000 1.059 743 R CA -0.262 55.824 56.100 -0.024 0.000 0.981 743 R CB 0.509 30.802 30.300 -0.011 0.000 0.972 743 R HN 0.536 nan 8.270 nan 0.000 0.437 744 V N 2.962 122.856 119.914 -0.034 0.000 2.531 744 V HA 0.553 4.675 4.120 0.004 0.000 0.301 744 V C -0.527 175.559 176.094 -0.014 0.000 1.034 744 V CA -1.084 61.207 62.300 -0.016 0.000 0.865 744 V CB 1.491 33.296 31.823 -0.031 0.000 0.995 744 V HN 0.815 nan 8.190 nan 0.000 0.424 745 R N 2.312 122.810 120.500 -0.002 0.000 2.514 745 R HA 0.523 4.865 4.340 0.004 0.000 0.301 745 R C -1.249 175.047 176.300 -0.006 0.000 0.962 745 R CA -0.467 55.629 56.100 -0.008 0.000 0.882 745 R CB 1.786 32.081 30.300 -0.007 0.000 1.143 745 R HN 0.828 nan 8.270 nan 0.000 0.452 746 D N 3.609 124.001 120.400 -0.014 0.000 2.304 746 D HA 0.242 4.884 4.640 0.004 0.000 0.250 746 D C -0.024 176.258 176.300 -0.031 0.000 1.107 746 D CA -0.007 53.980 54.000 -0.021 0.000 0.885 746 D CB 1.110 41.895 40.800 -0.026 0.000 1.192 746 D HN 0.385 nan 8.370 nan 0.000 0.436 747 I N 1.738 122.282 120.570 -0.043 0.000 2.342 747 I HA 0.042 4.215 4.170 0.004 0.000 0.291 747 I C 0.439 176.512 176.117 -0.074 0.000 1.010 747 I CA -0.552 60.716 61.300 -0.055 0.000 1.308 747 I CB 0.944 38.908 38.000 -0.061 0.000 1.400 747 I HN 0.156 nan 8.210 nan 0.000 0.488 748 D N 6.489 126.855 120.400 -0.057 0.000 2.385 748 D HA 0.221 4.863 4.640 0.004 0.000 0.260 748 D C -0.831 175.420 176.300 -0.082 0.000 1.326 748 D CA 0.588 54.555 54.000 -0.055 0.000 1.023 748 D CB 0.186 40.969 40.800 -0.029 0.000 1.083 748 D HN 0.106 nan 8.370 nan 0.000 0.517 749 V N 3.206 123.037 119.914 -0.138 0.000 3.023 749 V HA 0.109 4.231 4.120 0.004 0.000 0.294 749 V C -0.384 175.551 176.094 -0.265 0.000 1.324 749 V CA -0.848 61.284 62.300 -0.279 0.000 0.979 749 V CB 2.459 33.959 31.823 -0.539 0.000 1.093 749 V HN 0.447 nan 8.190 nan 0.000 0.434 750 D N 2.546 122.840 120.400 -0.176 0.000 2.525 750 D HA 0.212 4.855 4.640 0.004 0.000 0.229 750 D C -0.511 175.865 176.300 0.126 0.000 1.202 750 D CA 0.126 54.140 54.000 0.024 0.000 0.828 750 D CB 0.349 41.229 40.800 0.135 0.000 1.008 750 D HN 0.565 nan 8.370 nan 0.000 0.493 751 Y N -3.313 116.990 120.300 0.004 0.000 2.638 751 Y HA 0.553 5.105 4.550 0.004 0.000 0.334 751 Y C -1.695 174.207 175.900 0.003 0.000 1.182 751 Y CA -1.780 56.322 58.100 0.002 0.000 1.102 751 Y CB 0.778 39.239 38.460 0.002 0.000 1.343 751 Y HN -0.079 nan 8.280 nan 0.000 0.463 752 A N 2.534 125.442 122.820 0.145 0.000 2.880 752 A HA 0.576 4.898 4.320 0.004 0.000 0.328 752 A C 0.230 177.895 177.584 0.135 0.000 1.440 752 A CA 0.003 52.086 52.037 0.075 0.000 1.068 752 A CB -1.029 17.993 19.000 0.037 0.000 1.163 752 A HN 1.067 nan 8.150 nan 0.000 0.510 753 S N 1.459 117.279 115.700 0.200 0.000 2.614 753 S HA 0.313 4.785 4.470 0.004 0.000 0.265 753 S C 0.548 175.151 174.600 0.005 0.000 1.303 753 S CA 0.130 58.360 58.200 0.050 0.000 1.000 753 S CB -0.070 63.128 63.200 -0.004 0.000 0.935 753 S HN 0.841 nan 8.310 nan 0.000 0.551 754 H N -1.012 118.072 119.070 0.024 0.000 2.791 754 H HA -0.135 4.423 4.556 0.003 0.000 0.302 754 H C 0.238 175.556 175.328 -0.018 0.000 1.198 754 H CA 1.060 57.096 56.048 -0.019 0.000 1.145 754 H CB -2.488 27.269 29.762 -0.008 0.000 1.385 754 H HN 0.977 nan 8.280 nan 0.000 0.409 755 S N -2.116 113.605 115.700 0.034 0.000 2.671 755 S HA 0.529 5.001 4.470 0.004 0.000 0.277 755 S C -2.390 172.225 174.600 0.024 0.000 1.165 755 S CA -1.106 57.112 58.200 0.031 0.000 0.822 755 S CB 3.296 66.514 63.200 0.030 0.000 1.150 755 S HN -0.187 nan 8.310 nan 0.000 0.479 756 P HA -0.041 nan 4.420 nan 0.000 0.216 756 P C 0.907 178.234 177.300 0.046 0.000 1.150 756 P CA 1.251 64.376 63.100 0.041 0.000 0.837 756 P CB -0.085 31.638 31.700 0.038 0.000 0.786 757 Q N -1.411 118.413 119.800 0.040 0.000 2.615 757 Q HA -0.083 4.259 4.340 0.004 0.000 0.220 757 Q C 1.356 177.387 176.000 0.051 0.000 0.981 757 Q CA 0.729 56.559 55.803 0.044 0.000 0.939 757 Q CB -0.607 28.156 28.738 0.042 0.000 0.982 757 Q HN 0.243 nan 8.270 nan 0.000 0.550 758 I N -0.579 120.023 120.570 0.053 0.000 3.708 758 I HA -0.035 4.137 4.170 0.004 0.000 0.302 758 I C 1.341 177.532 176.117 0.122 0.000 1.255 758 I CA 0.608 61.946 61.300 0.063 0.000 1.362 758 I CB -0.273 37.731 38.000 0.007 0.000 1.100 758 I HN 0.252 nan 8.210 nan 0.000 0.434 759 E N 0.876 121.149 120.200 0.120 0.000 2.209 759 E HA -0.205 4.147 4.350 0.004 0.000 0.196 759 E C 1.648 178.295 176.600 0.079 0.000 0.993 759 E CA 0.939 57.427 56.400 0.147 0.000 0.819 759 E CB -0.072 29.692 29.700 0.107 0.000 0.745 759 E HN 0.472 nan 8.360 nan 0.000 0.477 760 R N 0.439 120.972 120.500 0.056 0.000 2.310 760 R HA -0.003 4.340 4.340 0.004 0.000 0.202 760 R C 1.941 178.249 176.300 0.012 0.000 0.933 760 R CA 0.572 56.686 56.100 0.024 0.000 1.054 760 R CB 0.228 30.541 30.300 0.022 0.000 0.985 760 R HN 0.128 nan 8.270 nan 0.000 0.489 761 V N -2.378 117.553 119.914 0.029 0.000 3.578 761 V HA 0.183 4.305 4.120 0.004 0.000 0.290 761 V C 1.902 177.993 176.094 -0.005 0.000 1.376 761 V CA 0.041 62.350 62.300 0.014 0.000 1.083 761 V CB 0.026 31.862 31.823 0.023 0.000 0.911 761 V HN 0.074 nan 8.190 nan 0.000 0.433 762 R N 0.939 121.409 120.500 -0.051 0.000 2.091 762 R HA -0.187 4.155 4.340 0.004 0.000 0.238 762 R C 2.174 178.343 176.300 -0.218 0.000 1.136 762 R CA 2.487 58.428 56.100 -0.265 0.000 0.959 762 R CB -0.102 29.884 30.300 -0.524 0.000 0.856 762 R HN 0.712 nan 8.270 nan 0.000 0.437 763 E N -0.074 120.043 120.200 -0.139 0.000 2.028 763 E HA -0.153 4.200 4.350 0.004 0.000 0.190 763 E C 1.922 178.482 176.600 -0.066 0.000 0.984 763 E CA 1.323 57.662 56.400 -0.102 0.000 0.800 763 E CB 0.050 29.704 29.700 -0.076 0.000 0.758 763 E HN 0.425 nan 8.360 nan 0.000 0.448 764 E N 0.821 120.992 120.200 -0.047 0.000 2.147 764 E HA -0.248 4.104 4.350 0.004 0.000 0.199 764 E C 2.216 178.799 176.600 -0.028 0.000 1.005 764 E CA 0.861 57.242 56.400 -0.032 0.000 0.810 764 E CB -0.163 29.522 29.700 -0.024 0.000 0.736 764 E HN 0.247 nan 8.360 nan 0.000 0.460 765 L N 0.630 121.837 121.223 -0.026 0.000 1.988 765 L HA -0.167 4.175 4.340 0.004 0.000 0.207 765 L C 2.343 179.211 176.870 -0.003 0.000 1.071 765 L CA 1.013 55.852 54.840 -0.001 0.000 0.744 765 L CB -0.086 42.001 42.059 0.046 0.000 0.893 765 L HN 0.129 nan 8.230 nan 0.000 0.433 766 L N -0.413 120.790 121.223 -0.034 0.000 2.353 766 L HA -0.215 4.127 4.340 0.004 0.000 0.220 766 L C 2.375 179.235 176.870 -0.017 0.000 1.133 766 L CA 1.035 55.861 54.840 -0.023 0.000 0.798 766 L CB -0.470 41.549 42.059 -0.067 0.000 0.922 766 L HN 0.434 nan 8.230 nan 0.000 0.445 767 E N 0.045 120.230 120.200 -0.026 0.000 2.030 767 E HA -0.133 4.219 4.350 0.004 0.000 0.189 767 E C 1.755 178.344 176.600 -0.020 0.000 0.974 767 E CA 1.195 57.581 56.400 -0.024 0.000 0.807 767 E CB 0.122 29.805 29.700 -0.028 0.000 0.771 767 E HN 0.268 nan 8.360 nan 0.000 0.451 768 T N -0.408 114.133 114.554 -0.022 0.000 3.118 768 T HA -0.092 4.260 4.350 0.004 0.000 0.269 768 T C 1.133 175.815 174.700 -0.029 0.000 1.166 768 T CA 1.527 63.611 62.100 -0.027 0.000 1.073 768 T CB -0.126 68.724 68.868 -0.030 0.000 0.884 768 T HN 0.129 nan 8.240 nan 0.000 0.550 769 T N -0.423 114.121 114.554 -0.017 0.000 3.416 769 T HA 0.323 4.675 4.350 0.004 0.000 0.298 769 T C 0.858 175.563 174.700 0.009 0.000 0.874 769 T CA 0.116 62.207 62.100 -0.014 0.000 0.901 769 T CB -0.121 68.742 68.868 -0.009 0.000 1.215 769 T HN 0.373 nan 8.240 nan 0.000 0.677 770 G N 0.649 109.455 108.800 0.010 0.000 2.699 770 G HA2 0.352 4.314 3.960 0.004 0.000 0.246 770 G HA3 0.352 4.314 3.960 0.004 0.000 0.246 770 G C -0.029 174.878 174.900 0.011 0.000 1.219 770 G CA 0.516 45.627 45.100 0.019 0.000 0.866 770 G HN 0.375 nan 8.290 nan 0.000 0.572 771 D N -1.503 118.907 120.400 0.017 0.000 2.704 771 D HA -0.215 4.427 4.640 0.004 0.000 0.232 771 D C 0.485 176.787 176.300 0.004 0.000 1.183 771 D CA 0.691 54.697 54.000 0.010 0.000 0.647 771 D CB -1.042 39.759 40.800 0.001 0.000 1.013 771 D HN 0.496 nan 8.370 nan 0.000 0.415 772 I N -0.711 119.867 120.570 0.013 0.000 2.696 772 I HA 0.353 4.525 4.170 0.004 0.000 0.284 772 I C 0.087 176.217 176.117 0.021 0.000 1.129 772 I CA -0.227 61.077 61.300 0.007 0.000 1.410 772 I CB 0.779 38.787 38.000 0.014 0.000 1.399 772 I HN 0.263 nan 8.210 nan 0.000 0.579 773 A N 8.801 131.629 122.820 0.012 0.000 2.508 773 A HA 0.601 4.924 4.320 0.004 0.000 0.336 773 A C -2.471 175.123 177.584 0.016 0.000 1.360 773 A CA -1.438 50.606 52.037 0.013 0.000 0.841 773 A CB -0.086 18.915 19.000 0.003 0.000 1.136 773 A HN 0.579 nan 8.150 nan 0.000 0.489 774 P HA 0.365 nan 4.420 nan 0.000 0.272 774 P C -0.567 176.726 177.300 -0.012 0.000 1.223 774 P CA 0.025 63.134 63.100 0.015 0.000 0.784 774 P CB 0.812 32.524 31.700 0.020 0.000 0.923 775 R N 1.184 121.669 120.500 -0.025 0.000 2.867 775 R HA 0.539 4.881 4.340 0.004 0.000 0.268 775 R C -2.691 173.582 176.300 -0.044 0.000 1.014 775 R CA -2.524 53.558 56.100 -0.030 0.000 0.946 775 R CB -0.081 30.206 30.300 -0.022 0.000 1.208 775 R HN 0.241 nan 8.270 nan 0.000 0.477 776 P HA -0.138 nan 4.420 nan 0.000 0.263 776 P C -0.788 176.491 177.300 -0.035 0.000 1.162 776 P CA 0.597 63.675 63.100 -0.036 0.000 0.758 776 P CB 0.257 31.943 31.700 -0.024 0.000 0.773 777 A N 4.554 127.355 122.820 -0.031 0.000 2.320 777 A HA 0.180 4.502 4.320 0.004 0.000 0.287 777 A C 1.431 179.015 177.584 -0.001 0.000 1.181 777 A CA -0.478 51.550 52.037 -0.014 0.000 0.831 777 A CB 0.172 19.178 19.000 0.009 0.000 1.102 777 A HN 0.460 nan 8.150 nan 0.000 0.513 778 R N 1.628 122.125 120.500 -0.006 0.000 2.148 778 R HA 0.017 4.359 4.340 0.004 0.000 0.223 778 R C -0.206 176.097 176.300 0.004 0.000 1.088 778 R CA 0.844 56.941 56.100 -0.005 0.000 0.985 778 R CB -0.157 30.134 30.300 -0.016 0.000 0.880 778 R HN 0.499 nan 8.270 nan 0.000 0.451 779 V N 1.370 121.294 119.914 0.017 0.000 2.555 779 V HA 0.116 4.239 4.120 0.004 0.000 0.302 779 V C 0.100 176.233 176.094 0.064 0.000 1.038 779 V CA -0.673 61.640 62.300 0.022 0.000 0.887 779 V CB 2.064 33.887 31.823 -0.001 0.000 0.991 779 V HN 0.092 nan 8.190 nan 0.000 0.434 780 T N 5.243 119.835 114.554 0.064 0.000 2.849 780 T HA 0.005 4.357 4.350 0.004 0.000 0.289 780 T C -0.526 174.244 174.700 0.116 0.000 1.010 780 T CA 0.968 63.122 62.100 0.090 0.000 1.161 780 T CB -0.521 68.399 68.868 0.086 0.000 0.989 780 T HN 0.439 nan 8.240 nan 0.000 0.523 781 F N 4.813 124.768 119.950 0.008 0.000 2.347 781 F HA 0.359 4.888 4.527 0.003 0.000 0.366 781 F C 0.022 175.844 175.800 0.037 0.000 1.107 781 F CA -1.140 56.873 58.000 0.023 0.000 1.058 781 F CB 0.639 39.632 39.000 -0.011 0.000 1.236 781 F HN 0.635 nan 8.300 nan 0.000 0.456 782 H N 3.641 122.520 119.070 -0.319 0.000 2.604 782 H HA 0.359 4.917 4.556 0.003 0.000 0.306 782 H C -0.318 174.815 175.328 -0.325 0.000 1.075 782 H CA -0.132 55.794 56.048 -0.203 0.000 1.357 782 H CB 1.009 30.665 29.762 -0.177 0.000 1.426 782 H HN 0.573 nan 8.280 nan 0.000 0.470 783 S N 2.670 118.265 115.700 -0.176 0.000 2.537 783 S HA 0.058 4.530 4.470 0.004 0.000 0.275 783 S C 1.228 175.864 174.600 0.059 0.000 1.272 783 S CA -0.081 58.148 58.200 0.047 0.000 1.050 783 S CB 0.605 63.996 63.200 0.318 0.000 0.961 783 S HN 0.880 nan 8.310 nan 0.000 0.496 784 T N 2.052 116.666 114.554 0.100 0.000 3.081 784 T HA 0.114 4.467 4.350 0.004 0.000 0.250 784 T C 1.399 176.119 174.700 0.033 0.000 1.100 784 T CA 0.398 62.548 62.100 0.085 0.000 1.038 784 T CB -0.058 68.867 68.868 0.094 0.000 0.962 784 T HN 0.368 nan 8.240 nan 0.000 0.516 785 V N 1.200 121.137 119.914 0.038 0.000 2.391 785 V HA 0.107 4.229 4.120 0.004 0.000 0.237 785 V C 2.706 178.802 176.094 0.003 0.000 1.046 785 V CA 0.915 63.204 62.300 -0.017 0.000 1.053 785 V CB -0.291 31.465 31.823 -0.112 0.000 0.704 785 V HN 0.246 nan 8.190 nan 0.000 0.475 786 E N 0.217 120.449 120.200 0.053 0.000 2.285 786 E HA 0.021 4.373 4.350 0.004 0.000 0.194 786 E C 1.034 177.630 176.600 -0.007 0.000 0.997 786 E CA 0.638 57.061 56.400 0.038 0.000 0.845 786 E CB -0.029 29.722 29.700 0.084 0.000 0.782 786 E HN 0.540 nan 8.360 nan 0.000 0.491 787 S N -0.102 115.582 115.700 -0.027 0.000 3.812 787 S HA -0.225 4.248 4.470 0.004 0.000 0.341 787 S C -0.084 174.411 174.600 -0.176 0.000 1.057 787 S CA 1.170 59.346 58.200 -0.039 0.000 1.015 787 S CB -1.232 61.982 63.200 0.022 0.000 0.893 787 S HN 0.473 nan 8.310 nan 0.000 0.476 788 R N -2.019 118.212 120.500 -0.448 0.000 2.741 788 R HA 0.662 5.005 4.340 0.004 0.000 0.276 788 R C -1.090 174.873 176.300 -0.562 0.000 1.028 788 R CA -0.980 54.808 56.100 -0.520 0.000 0.865 788 R CB 0.200 30.401 30.300 -0.166 0.000 1.268 788 R HN -0.002 nan 8.270 nan 0.000 0.475 789 S N 1.166 116.696 115.700 -0.284 0.000 2.549 789 S HA 0.289 4.761 4.470 0.004 0.000 0.286 789 S C -0.182 174.408 174.600 -0.017 0.000 1.314 789 S CA -0.021 58.146 58.200 -0.054 0.000 1.062 789 S CB 0.214 63.444 63.200 0.049 0.000 0.865 789 S HN 0.324 nan 8.310 nan 0.000 0.498 790 M N 3.632 123.263 119.600 0.053 0.000 2.204 790 M HA 0.215 4.697 4.480 0.004 0.000 0.293 790 M C -1.109 175.154 176.300 -0.061 0.000 0.994 790 M CA -0.955 54.332 55.300 -0.021 0.000 0.925 790 M CB 1.844 34.414 32.600 -0.051 0.000 1.577 790 M HN 0.563 nan 8.290 nan 0.000 0.439 791 D N 2.119 122.472 120.400 -0.077 0.000 2.493 791 D HA 0.044 4.686 4.640 0.004 0.000 0.240 791 D C 1.337 177.540 176.300 -0.162 0.000 1.142 791 D CA -0.044 53.906 54.000 -0.083 0.000 0.872 791 D CB 0.423 41.188 40.800 -0.059 0.000 1.173 791 D HN 0.850 nan 8.370 nan 0.000 0.467 792 G N 1.819 110.529 108.800 -0.152 0.000 2.516 792 G HA2 -0.301 3.662 3.960 0.004 0.000 0.221 792 G HA3 -0.301 3.662 3.960 0.004 0.000 0.221 792 G C 1.386 176.181 174.900 -0.176 0.000 1.107 792 G CA 0.795 45.771 45.100 -0.207 0.000 0.747 792 G HN 0.558 nan 8.290 nan 0.000 0.567 793 T N 0.193 114.669 114.554 -0.130 0.000 2.951 793 T HA 0.004 4.356 4.350 0.004 0.000 0.268 793 T C 1.978 176.610 174.700 -0.115 0.000 1.073 793 T CA 0.906 62.949 62.100 -0.095 0.000 1.134 793 T CB -0.063 68.767 68.868 -0.063 0.000 0.884 793 T HN 0.496 nan 8.240 nan 0.000 0.479 794 E N 0.608 120.703 120.200 -0.175 0.000 2.502 794 E HA 0.123 4.476 4.350 0.004 0.000 0.194 794 E C 0.534 176.949 176.600 -0.307 0.000 1.062 794 E CA 0.093 56.377 56.400 -0.192 0.000 0.867 794 E CB 0.059 29.641 29.700 -0.196 0.000 0.888 794 E HN 0.445 nan 8.360 nan 0.000 0.510 795 L N 1.711 122.724 121.223 -0.350 0.000 2.888 795 L HA 0.110 4.452 4.340 0.004 0.000 0.237 795 L C 0.216 177.082 176.870 -0.007 0.000 1.288 795 L CA -0.449 54.113 54.840 -0.463 0.000 1.110 795 L CB -0.596 41.165 42.059 -0.497 0.000 1.441 795 L HN -0.013 nan 8.230 nan 0.000 0.474 796 D N 1.223 121.628 120.400 0.009 0.000 2.677 796 D HA -0.187 4.455 4.640 0.004 0.000 0.212 796 D C 1.251 177.732 176.300 0.301 0.000 1.218 796 D CA 0.894 54.969 54.000 0.125 0.000 0.855 796 D CB 1.051 41.898 40.800 0.079 0.000 1.222 796 D HN 0.357 nan 8.370 nan 0.000 0.540 797 A N 3.604 126.589 122.820 0.276 0.000 2.024 797 A HA -0.232 4.090 4.320 0.004 0.000 0.220 797 A C 2.123 179.867 177.584 0.266 0.000 1.164 797 A CA 1.417 53.640 52.037 0.310 0.000 0.643 797 A CB -0.088 19.012 19.000 0.167 0.000 0.806 797 A HN 0.541 nan 8.150 nan 0.000 0.451 798 R N -2.435 118.173 120.500 0.181 0.000 2.093 798 R HA -0.073 4.269 4.340 0.004 0.000 0.224 798 R C 2.115 178.499 176.300 0.140 0.000 1.101 798 R CA 1.342 57.539 56.100 0.161 0.000 0.979 798 R CB -0.476 29.887 30.300 0.106 0.000 0.877 798 R HN 0.718 nan 8.270 nan 0.000 0.441 799 Y N 0.296 120.550 120.300 -0.076 0.000 2.128 799 Y HA -0.282 4.270 4.550 0.004 0.000 0.284 799 Y C 1.571 177.288 175.900 -0.305 0.000 1.154 799 Y CA 1.625 59.562 58.100 -0.270 0.000 1.149 799 Y CB -0.390 37.775 38.460 -0.490 0.000 0.976 799 Y HN 0.039 nan 8.280 nan 0.000 0.505 800 W N -1.416 119.952 121.300 0.113 0.000 2.465 800 W HA -0.166 4.496 4.660 0.003 0.000 0.268 800 W C 2.199 178.702 176.519 -0.027 0.000 1.242 800 W CA 1.133 58.493 57.345 0.025 0.000 1.248 800 W CB -0.754 28.771 29.460 0.109 0.000 1.118 800 W HN 0.229 nan 8.180 nan 0.000 0.587 801 Y N 1.369 121.713 120.300 0.074 0.000 2.184 801 Y HA -0.125 4.427 4.550 0.003 0.000 0.290 801 Y C 2.428 178.291 175.900 -0.061 0.000 1.129 801 Y CA 1.536 59.645 58.100 0.015 0.000 1.144 801 Y CB -0.660 37.807 38.460 0.013 0.000 0.995 801 Y HN -0.226 nan 8.280 nan 0.000 0.513 802 R N 0.454 120.768 120.500 -0.310 0.000 2.094 802 R HA -0.260 4.082 4.340 0.004 0.000 0.239 802 R C 2.279 178.337 176.300 -0.403 0.000 1.137 802 R CA 1.526 57.382 56.100 -0.408 0.000 0.943 802 R CB -0.978 29.134 30.300 -0.313 0.000 0.850 802 R HN 0.471 nan 8.270 nan 0.000 0.433 803 N N 1.557 119.977 118.700 -0.468 0.000 2.064 803 N HA -0.262 4.480 4.740 0.004 0.000 0.200 803 N C 1.789 177.251 175.510 -0.079 0.000 1.028 803 N CA 1.908 54.816 53.050 -0.237 0.000 0.880 803 N CB -0.323 38.091 38.487 -0.122 0.000 1.062 803 N HN 0.253 nan 8.380 nan 0.000 0.454 804 L N 0.395 121.512 121.223 -0.175 0.000 2.079 804 L HA -0.146 4.196 4.340 0.004 0.000 0.210 804 L C 2.658 179.244 176.870 -0.473 0.000 1.081 804 L CA 1.373 56.040 54.840 -0.289 0.000 0.752 804 L CB -0.165 41.776 42.059 -0.196 0.000 0.896 804 L HN 0.202 nan 8.230 nan 0.000 0.433 805 R N -0.094 120.112 120.500 -0.490 0.000 2.210 805 R HA 0.076 4.419 4.340 0.004 0.000 0.203 805 R C 0.243 176.455 176.300 -0.148 0.000 1.010 805 R CA 0.502 56.346 56.100 -0.427 0.000 1.008 805 R CB 0.175 29.998 30.300 -0.796 0.000 0.923 805 R HN 0.269 nan 8.270 nan 0.000 0.469 806 E N -0.217 119.961 120.200 -0.036 0.000 2.249 806 E HA 0.136 4.488 4.350 0.004 0.000 0.263 806 E C -0.822 175.837 176.600 0.097 0.000 0.950 806 E CA -0.618 55.796 56.400 0.023 0.000 0.827 806 E CB 1.319 30.987 29.700 -0.053 0.000 1.220 806 E HN -0.004 nan 8.360 nan 0.000 0.411 807 T N 0.115 114.670 114.554 0.002 0.000 2.934 807 T HA 0.109 4.461 4.350 0.004 0.000 0.306 807 T C 0.059 174.676 174.700 -0.138 0.000 1.042 807 T CA -0.465 61.590 62.100 -0.076 0.000 1.145 807 T CB 0.012 68.855 68.868 -0.041 0.000 0.982 807 T HN 0.315 nan 8.240 nan 0.000 0.544 808 V N 6.189 125.939 119.914 -0.274 0.000 2.406 808 V HA 0.590 4.712 4.120 0.004 0.000 0.272 808 V C 0.414 176.423 176.094 -0.140 0.000 1.043 808 V CA -0.783 61.363 62.300 -0.257 0.000 0.915 808 V CB 1.016 32.554 31.823 -0.475 0.000 0.988 808 V HN 0.774 nan 8.190 nan 0.000 0.466 809 R N 4.538 125.005 120.500 -0.055 0.000 3.956 809 R HA 0.237 4.579 4.340 0.004 0.000 0.237 809 R C 0.351 176.682 176.300 0.052 0.000 1.552 809 R CA -0.144 55.959 56.100 0.004 0.000 1.529 809 R CB -0.100 30.204 30.300 0.007 0.000 1.376 809 R HN 0.983 nan 8.270 nan 0.000 0.733 810 F N 1.532 121.428 119.950 -0.091 0.000 2.084 810 F HA -0.148 4.381 4.527 0.003 0.000 0.296 810 F C 2.068 177.866 175.800 -0.003 0.000 1.111 810 F CA 1.793 59.768 58.000 -0.042 0.000 1.224 810 F CB -0.045 38.965 39.000 0.018 0.000 0.991 810 F HN 0.364 nan 8.300 nan 0.000 0.471 811 A N -0.020 122.751 122.820 -0.082 0.000 1.908 811 A HA -0.231 4.091 4.320 0.004 0.000 0.218 811 A C 2.040 179.515 177.584 -0.182 0.000 1.181 811 A CA 2.132 54.062 52.037 -0.178 0.000 0.627 811 A CB -1.105 17.871 19.000 -0.039 0.000 0.818 811 A HN 0.463 nan 8.150 nan 0.000 0.445 812 D N -0.099 120.244 120.400 -0.096 0.000 2.117 812 D HA -0.064 4.578 4.640 0.004 0.000 0.197 812 D C 2.290 178.536 176.300 -0.091 0.000 0.987 812 D CA 1.473 55.436 54.000 -0.062 0.000 0.829 812 D CB -0.414 40.383 40.800 -0.005 0.000 0.961 812 D HN 0.424 nan 8.370 nan 0.000 0.460 813 A N 0.672 123.421 122.820 -0.118 0.000 1.851 813 A HA -0.163 4.159 4.320 0.004 0.000 0.216 813 A C 2.596 179.987 177.584 -0.322 0.000 1.195 813 A CA 1.632 53.571 52.037 -0.162 0.000 0.622 813 A CB -0.927 18.026 19.000 -0.079 0.000 0.831 813 A HN 0.137 nan 8.150 nan 0.000 0.444 814 V N -0.321 119.368 119.914 -0.374 0.000 2.255 814 V HA -0.268 3.855 4.120 0.004 0.000 0.247 814 V C 2.730 178.677 176.094 -0.246 0.000 1.051 814 V CA 2.577 64.674 62.300 -0.339 0.000 1.018 814 V CB -1.464 30.024 31.823 -0.558 0.000 0.641 814 V HN 0.628 nan 8.190 nan 0.000 0.445 815 T N -0.504 113.910 114.554 -0.233 0.000 2.570 815 T HA -0.348 4.004 4.350 0.004 0.000 0.266 815 T C 2.071 176.724 174.700 -0.078 0.000 1.071 815 T CA 2.369 64.383 62.100 -0.143 0.000 1.172 815 T CB -0.349 68.452 68.868 -0.112 0.000 0.864 815 T HN 0.319 nan 8.240 nan 0.000 0.421 816 R N 0.224 120.676 120.500 -0.081 0.000 2.139 816 R HA -0.022 4.320 4.340 0.004 0.000 0.243 816 R C 2.361 178.649 176.300 -0.021 0.000 1.145 816 R CA 1.144 57.220 56.100 -0.040 0.000 0.976 816 R CB -0.431 29.865 30.300 -0.007 0.000 0.866 816 R HN 0.408 nan 8.270 nan 0.000 0.449 817 L N -1.008 120.170 121.223 -0.075 0.000 2.156 817 L HA -0.063 4.279 4.340 0.004 0.000 0.208 817 L C 2.404 179.471 176.870 0.329 0.000 1.095 817 L CA 1.086 55.972 54.840 0.077 0.000 0.770 817 L CB -0.352 41.652 42.059 -0.092 0.000 0.914 817 L HN 0.286 nan 8.230 nan 0.000 0.439 818 A N -0.698 122.283 122.820 0.268 0.000 1.970 818 A HA -0.141 4.181 4.320 0.004 0.000 0.216 818 A C 2.146 179.810 177.584 0.134 0.000 1.170 818 A CA 0.917 53.112 52.037 0.263 0.000 0.645 818 A CB -0.257 18.796 19.000 0.089 0.000 0.816 818 A HN 0.351 nan 8.150 nan 0.000 0.447 819 E N 0.312 120.562 120.200 0.083 0.000 2.204 819 E HA -0.118 4.234 4.350 0.004 0.000 0.195 819 E C 1.461 178.094 176.600 0.056 0.000 0.990 819 E CA 1.320 57.751 56.400 0.052 0.000 0.821 819 E CB -0.063 29.659 29.700 0.037 0.000 0.750 819 E HN 0.711 nan 8.360 nan 0.000 0.477 820 S N -1.765 113.991 115.700 0.092 0.000 2.574 820 S HA 0.372 4.844 4.470 0.004 0.000 0.242 820 S C 1.047 175.615 174.600 -0.054 0.000 0.982 820 S CA 0.207 58.438 58.200 0.052 0.000 0.977 820 S CB 1.035 64.300 63.200 0.107 0.000 0.814 820 S HN 0.301 nan 8.310 nan 0.000 0.464 821 G N 0.283 109.064 108.800 -0.032 0.000 2.307 821 G HA2 -0.212 3.750 3.960 0.004 0.000 0.210 821 G HA3 -0.212 3.750 3.960 0.004 0.000 0.210 821 G C -0.116 174.696 174.900 -0.146 0.000 1.005 821 G CA -0.442 44.577 45.100 -0.134 0.000 0.634 821 G HN 0.519 nan 8.290 nan 0.000 0.496 822 Y N 1.367 121.646 120.300 -0.036 0.000 2.597 822 Y HA 0.436 4.988 4.550 0.003 0.000 0.336 822 Y C 1.395 177.244 175.900 -0.084 0.000 1.216 822 Y CA 1.042 59.055 58.100 -0.145 0.000 1.463 822 Y CB 0.650 38.929 38.460 -0.300 0.000 1.303 822 Y HN 0.105 nan 8.280 nan 0.000 0.576 823 D N 0.499 120.883 120.400 -0.026 0.000 2.403 823 D HA 0.262 4.904 4.640 0.004 0.000 0.280 823 D C -0.495 175.854 176.300 0.082 0.000 1.091 823 D CA 0.288 54.328 54.000 0.067 0.000 0.884 823 D CB 0.620 41.427 40.800 0.012 0.000 1.427 823 D HN 0.497 nan 8.370 nan 0.000 0.504 824 A N 0.514 123.268 122.820 -0.109 0.000 2.357 824 A HA 0.601 4.923 4.320 0.004 0.000 0.295 824 A C -1.502 175.948 177.584 -0.223 0.000 1.121 824 A CA -0.459 51.557 52.037 -0.035 0.000 0.742 824 A CB 0.294 19.280 19.000 -0.023 0.000 1.181 824 A HN -0.003 nan 8.150 nan 0.000 0.454 825 F N 2.639 122.575 119.950 -0.024 0.000 2.375 825 F HA 0.526 5.055 4.527 0.004 0.000 0.361 825 F C 0.021 175.765 175.800 -0.094 0.000 1.117 825 F CA -0.403 57.567 58.000 -0.049 0.000 1.037 825 F CB 1.603 40.576 39.000 -0.045 0.000 1.192 825 F HN 0.373 nan 8.300 nan 0.000 0.452 826 I N 2.976 123.515 120.570 -0.051 0.000 2.382 826 I HA 0.196 4.368 4.170 0.004 0.000 0.285 826 I C -0.207 175.714 176.117 -0.325 0.000 1.007 826 I CA -0.604 60.531 61.300 -0.276 0.000 1.142 826 I CB 1.662 39.267 38.000 -0.659 0.000 1.289 826 I HN 0.551 nan 8.210 nan 0.000 0.453 827 E N 6.392 126.470 120.200 -0.203 0.000 2.129 827 E HA 0.193 4.545 4.350 0.004 0.000 0.283 827 E C -0.883 175.575 176.600 -0.236 0.000 1.080 827 E CA -0.421 55.871 56.400 -0.180 0.000 0.867 827 E CB 1.025 30.683 29.700 -0.071 0.000 1.056 827 E HN 0.372 nan 8.360 nan 0.000 0.404 828 V N 5.821 125.509 119.914 -0.377 0.000 2.162 828 V HA 0.146 4.268 4.120 0.004 0.000 0.255 828 V C -0.190 175.865 176.094 -0.065 0.000 1.304 828 V CA 0.023 62.146 62.300 -0.295 0.000 1.198 828 V CB -0.607 30.823 31.823 -0.654 0.000 1.333 828 V HN 0.665 nan 8.190 nan 0.000 0.493 829 S N 3.655 119.376 115.700 0.035 0.000 2.671 829 S HA 0.638 5.110 4.470 0.004 0.000 0.277 829 S C -2.619 172.079 174.600 0.165 0.000 1.165 829 S CA -1.324 56.938 58.200 0.104 0.000 0.822 829 S CB 2.197 65.448 63.200 0.084 0.000 1.150 829 S HN 0.186 nan 8.310 nan 0.000 0.479 830 P HA 0.141 nan 4.420 nan 0.000 0.229 830 P C -0.095 177.526 177.300 0.534 0.000 1.160 830 P CA 1.135 64.504 63.100 0.449 0.000 0.777 830 P CB -0.106 31.856 31.700 0.436 0.000 0.814 831 H N -1.396 117.775 119.070 0.168 0.000 3.129 831 H HA 0.199 4.758 4.556 0.004 0.000 0.342 831 H C -3.076 172.237 175.328 -0.024 0.000 1.092 831 H CA -1.739 54.323 56.048 0.024 0.000 1.310 831 H CB 2.469 32.258 29.762 0.044 0.000 1.932 831 H HN -0.259 nan 8.280 nan 0.000 0.507 832 P HA 0.077 nan 4.420 nan 0.000 0.279 832 P C 0.309 177.531 177.300 -0.130 0.000 1.318 832 P CA -0.084 62.853 63.100 -0.272 0.000 0.819 832 P CB 1.239 32.755 31.700 -0.308 0.000 0.927 833 V N 3.678 123.579 119.914 -0.023 0.000 3.523 833 V HA -0.040 4.082 4.120 0.004 0.000 0.255 833 V C 1.788 177.868 176.094 -0.024 0.000 1.226 833 V CA 1.098 63.405 62.300 0.012 0.000 1.092 833 V CB 0.546 32.380 31.823 0.017 0.000 0.817 833 V HN 0.440 nan 8.190 nan 0.000 0.458 834 V N -4.078 115.826 119.914 -0.017 0.000 3.427 834 V HA 0.269 4.391 4.120 0.004 0.000 0.305 834 V C 1.690 177.845 176.094 0.102 0.000 1.412 834 V CA 0.371 62.701 62.300 0.050 0.000 1.086 834 V CB 0.224 32.083 31.823 0.059 0.000 0.964 834 V HN 0.123 nan 8.190 nan 0.000 0.439 835 V N 0.786 120.722 119.914 0.036 0.000 2.233 835 V HA -0.329 3.793 4.120 0.004 0.000 0.247 835 V C 2.774 178.880 176.094 0.021 0.000 1.050 835 V CA 3.043 65.357 62.300 0.023 0.000 1.010 835 V CB -0.625 31.194 31.823 -0.006 0.000 0.637 835 V HN 0.628 nan 8.190 nan 0.000 0.444 836 Q N -0.814 118.997 119.800 0.019 0.000 2.112 836 Q HA -0.249 4.093 4.340 0.004 0.000 0.206 836 Q C 2.274 178.288 176.000 0.023 0.000 0.987 836 Q CA 2.112 57.923 55.803 0.015 0.000 0.858 836 Q CB -0.399 28.349 28.738 0.017 0.000 0.905 836 Q HN 0.709 nan 8.270 nan 0.000 0.420 837 A N -0.513 122.347 122.820 0.067 0.000 1.933 837 A HA -0.137 4.186 4.320 0.004 0.000 0.218 837 A C 2.194 179.798 177.584 0.034 0.000 1.175 837 A CA 1.399 53.499 52.037 0.105 0.000 0.628 837 A CB -0.517 18.635 19.000 0.253 0.000 0.814 837 A HN 0.263 nan 8.150 nan 0.000 0.444 838 V N 0.197 120.120 119.914 0.016 0.000 2.358 838 V HA -0.189 3.934 4.120 0.004 0.000 0.246 838 V C 2.490 178.464 176.094 -0.201 0.000 1.047 838 V CA 1.942 64.152 62.300 -0.151 0.000 1.035 838 V CB -0.705 31.047 31.823 -0.118 0.000 0.658 838 V HN 0.511 nan 8.190 nan 0.000 0.452 839 E N 0.137 120.271 120.200 -0.110 0.000 2.110 839 E HA -0.249 4.104 4.350 0.004 0.000 0.193 839 E C 2.207 178.747 176.600 -0.100 0.000 0.988 839 E CA 1.261 57.600 56.400 -0.101 0.000 0.804 839 E CB -0.133 29.537 29.700 -0.049 0.000 0.745 839 E HN 0.688 nan 8.360 nan 0.000 0.458 840 E N 0.310 120.464 120.200 -0.076 0.000 2.110 840 E HA -0.146 4.206 4.350 0.004 0.000 0.193 840 E C 1.907 178.448 176.600 -0.097 0.000 0.988 840 E CA 1.138 57.498 56.400 -0.065 0.000 0.804 840 E CB 0.002 29.683 29.700 -0.031 0.000 0.745 840 E HN 0.210 nan 8.360 nan 0.000 0.458 841 A N 0.310 123.040 122.820 -0.150 0.000 1.935 841 A HA -0.041 4.281 4.320 0.004 0.000 0.214 841 A C 2.295 179.755 177.584 -0.206 0.000 1.178 841 A CA 0.657 52.587 52.037 -0.180 0.000 0.640 841 A CB -0.503 18.350 19.000 -0.246 0.000 0.825 841 A HN 0.212 nan 8.150 nan 0.000 0.447 842 V N 0.241 119.984 119.914 -0.284 0.000 2.255 842 V HA -0.278 3.845 4.120 0.004 0.000 0.247 842 V C 2.272 178.284 176.094 -0.137 0.000 1.051 842 V CA 2.849 64.991 62.300 -0.264 0.000 1.018 842 V CB -0.486 31.128 31.823 -0.349 0.000 0.641 842 V HN 0.716 nan 8.190 nan 0.000 0.445 843 E N -0.106 120.027 120.200 -0.113 0.000 2.049 843 E HA -0.254 4.098 4.350 0.004 0.000 0.198 843 E C 1.384 177.953 176.600 -0.052 0.000 1.007 843 E CA 1.493 57.853 56.400 -0.067 0.000 0.809 843 E CB -0.111 29.557 29.700 -0.054 0.000 0.749 843 E HN 0.721 nan 8.360 nan 0.000 0.450 844 E N 0.150 120.317 120.200 -0.056 0.000 1.932 844 E HA 0.361 4.713 4.350 0.004 0.000 0.259 844 E C -1.572 175.000 176.600 -0.048 0.000 1.099 844 E CA -0.302 56.072 56.400 -0.042 0.000 0.970 844 E CB 0.383 30.063 29.700 -0.034 0.000 1.143 844 E HN 0.214 nan 8.360 nan 0.000 0.441 845 A N 3.951 126.747 122.820 -0.040 0.000 2.565 845 A HA 0.221 4.543 4.320 0.004 0.000 0.298 845 A C -1.204 176.371 177.584 -0.015 0.000 1.062 845 A CA -0.929 51.089 52.037 -0.031 0.000 0.723 845 A CB 1.150 20.123 19.000 -0.044 0.000 1.282 845 A HN 0.466 nan 8.150 nan 0.000 0.400 846 D N 1.506 121.903 120.400 -0.005 0.000 2.426 846 D HA 0.419 5.061 4.640 0.004 0.000 0.261 846 D C 1.125 177.428 176.300 0.005 0.000 1.245 846 D CA 2.483 56.483 54.000 -0.000 0.000 0.917 846 D CB 0.267 41.068 40.800 0.003 0.000 1.123 846 D HN 1.697 nan 8.370 nan 0.000 0.508 847 G N 2.741 111.543 108.800 0.004 0.000 2.531 847 G HA2 0.080 4.042 3.960 0.004 0.000 0.283 847 G HA3 0.080 4.042 3.960 0.004 0.000 0.283 847 G C 0.345 175.254 174.900 0.016 0.000 1.068 847 G CA 0.058 45.162 45.100 0.007 0.000 1.273 847 G HN 0.815 nan 8.290 nan 0.000 0.532 848 A N 0.668 123.496 122.820 0.012 0.000 2.519 848 A HA 0.638 4.960 4.320 0.004 0.000 0.236 848 A C 0.853 178.445 177.584 0.013 0.000 0.875 848 A CA 1.057 53.108 52.037 0.024 0.000 1.172 848 A CB 0.254 19.267 19.000 0.023 0.000 1.211 848 A HN 1.059 nan 8.150 nan 0.000 0.454 849 E N 0.534 120.738 120.200 0.008 0.000 2.512 849 E HA -0.016 4.336 4.350 0.004 0.000 0.195 849 E C 0.066 176.672 176.600 0.010 0.000 1.083 849 E CA 1.031 57.433 56.400 0.004 0.000 0.873 849 E CB -0.038 29.662 29.700 0.001 0.000 0.897 849 E HN 0.330 nan 8.360 nan 0.000 0.514 850 D N 0.277 120.689 120.400 0.019 0.000 2.943 850 D HA 0.394 5.036 4.640 0.004 0.000 0.347 850 D C -1.376 174.951 176.300 0.046 0.000 1.305 850 D CA -0.230 53.784 54.000 0.023 0.000 0.870 850 D CB 0.326 41.135 40.800 0.015 0.000 1.081 850 D HN 0.204 nan 8.370 nan 0.000 0.492 851 A N 0.239 123.095 122.820 0.059 0.000 2.435 851 A HA 0.702 5.024 4.320 0.004 0.000 0.304 851 A C -0.964 176.683 177.584 0.105 0.000 1.064 851 A CA -0.690 51.412 52.037 0.110 0.000 0.727 851 A CB 1.655 20.755 19.000 0.167 0.000 1.284 851 A HN 0.107 nan 8.150 nan 0.000 0.415 852 V N 1.038 121.038 119.914 0.142 0.000 2.427 852 V HA 0.616 4.738 4.120 0.004 0.000 0.286 852 V C -0.326 175.864 176.094 0.160 0.000 1.034 852 V CA -0.600 61.771 62.300 0.117 0.000 0.893 852 V CB 1.192 33.073 31.823 0.098 0.000 0.982 852 V HN 0.629 nan 8.190 nan 0.000 0.452 853 V N 4.849 124.824 119.914 0.101 0.000 2.487 853 V HA 0.740 4.862 4.120 0.004 0.000 0.298 853 V C -0.435 175.692 176.094 0.056 0.000 1.028 853 V CA -0.497 61.859 62.300 0.093 0.000 0.860 853 V CB 1.798 33.642 31.823 0.036 0.000 0.991 853 V HN 0.712 nan 8.190 nan 0.000 0.427 854 V N 2.277 122.215 119.914 0.040 0.000 2.888 854 V HA 0.873 4.995 4.120 0.004 0.000 0.309 854 V C 0.531 176.618 176.094 -0.012 0.000 1.114 854 V CA -0.304 62.014 62.300 0.029 0.000 0.940 854 V CB 1.652 33.513 31.823 0.064 0.000 1.021 854 V HN 0.916 nan 8.190 nan 0.000 0.426 855 G N 1.322 110.106 108.800 -0.027 0.000 2.531 855 G HA2 0.598 4.560 3.960 0.004 0.000 0.281 855 G HA3 0.598 4.560 3.960 0.004 0.000 0.281 855 G C 0.592 175.490 174.900 -0.003 0.000 1.382 855 G CA 0.306 45.355 45.100 -0.085 0.000 1.045 855 G HN 1.056 nan 8.290 nan 0.000 0.533 856 S N -1.978 113.715 115.700 -0.012 0.000 3.019 856 S HA 0.362 4.834 4.470 0.004 0.000 0.258 856 S C 0.392 175.048 174.600 0.092 0.000 1.082 856 S CA -0.244 58.039 58.200 0.138 0.000 0.836 856 S CB 0.113 63.600 63.200 0.479 0.000 0.834 856 S HN 0.315 nan 8.310 nan 0.000 0.457 857 L N 1.746 122.982 121.223 0.022 0.000 2.350 857 L HA 0.690 5.032 4.340 0.004 0.000 0.260 857 L C -1.096 175.691 176.870 -0.139 0.000 1.015 857 L CA -0.887 54.005 54.840 0.086 0.000 0.821 857 L CB 2.014 44.242 42.059 0.282 0.000 1.370 857 L HN 0.242 nan 8.230 nan 0.000 0.416 858 H N -1.009 118.096 119.070 0.058 0.000 2.864 858 H HA 0.496 5.054 4.556 0.003 0.000 0.354 858 H C 0.156 175.217 175.328 -0.444 0.000 1.208 858 H CA -0.869 55.141 56.048 -0.063 0.000 1.191 858 H CB 1.450 31.146 29.762 -0.110 0.000 1.889 858 H HN 0.330 nan 8.280 nan 0.000 0.574 859 R N 0.051 120.293 120.500 -0.430 0.000 2.088 859 R HA -0.127 4.215 4.340 0.004 0.000 0.232 859 R C 0.447 176.125 176.300 -1.037 0.000 1.136 859 R CA 1.736 57.069 56.100 -1.278 0.000 0.926 859 R CB -0.123 29.757 30.300 -0.700 0.000 0.837 859 R HN 0.563 nan 8.270 nan 0.000 0.429 860 D N -0.464 119.670 120.400 -0.443 0.000 2.519 860 D HA 0.078 4.720 4.640 0.004 0.000 0.238 860 D C -0.388 175.811 176.300 -0.169 0.000 1.192 860 D CA 0.238 54.080 54.000 -0.263 0.000 0.835 860 D CB 0.226 40.938 40.800 -0.146 0.000 0.975 860 D HN 0.418 nan 8.370 nan 0.000 0.490 861 G N -0.414 108.270 108.800 -0.193 0.000 5.114 861 G HA2 0.380 4.342 3.960 0.004 0.000 0.209 861 G HA3 0.380 4.342 3.960 0.004 0.000 0.209 861 G C 0.265 175.244 174.900 0.131 0.000 1.021 861 G CA -0.230 44.861 45.100 -0.014 0.000 0.608 861 G HN 0.231 nan 8.290 nan 0.000 0.360 862 G N 0.434 109.406 108.800 0.288 0.000 2.488 862 G HA2 0.793 4.755 3.960 0.004 0.000 0.318 862 G HA3 0.793 4.755 3.960 0.004 0.000 0.318 862 G C -0.346 174.698 174.900 0.240 0.000 1.188 862 G CA 0.407 45.761 45.100 0.423 0.000 0.944 862 G HN 1.286 nan 8.290 nan 0.000 0.495 863 D N -1.419 119.046 120.400 0.108 0.000 10.584 863 D HA -0.202 4.440 4.640 0.004 0.000 0.317 863 D C 0.539 176.853 176.300 0.024 0.000 3.170 863 D CA -0.217 53.802 54.000 0.032 0.000 2.786 863 D CB -0.604 40.230 40.800 0.056 0.000 1.265 863 D HN 0.526 nan 8.370 nan 0.000 0.960 864 L N 0.829 122.050 121.223 -0.004 0.000 2.021 864 L HA -0.279 4.063 4.340 0.004 0.000 0.215 864 L C 2.485 179.395 176.870 0.068 0.000 1.074 864 L CA 2.871 57.723 54.840 0.020 0.000 0.760 864 L CB -0.589 41.483 42.059 0.022 0.000 0.889 864 L HN 0.662 nan 8.230 nan 0.000 0.433 865 S N -0.596 115.135 115.700 0.051 0.000 2.406 865 S HA -0.043 4.429 4.470 0.004 0.000 0.228 865 S C 2.086 176.712 174.600 0.043 0.000 1.020 865 S CA 0.681 58.906 58.200 0.042 0.000 0.965 865 S CB -0.396 62.818 63.200 0.024 0.000 0.798 865 S HN 0.503 nan 8.310 nan 0.000 0.488 866 A N 1.794 124.654 122.820 0.066 0.000 1.883 866 A HA -0.046 4.276 4.320 0.004 0.000 0.217 866 A C 1.939 179.571 177.584 0.081 0.000 1.186 866 A CA 1.649 53.738 52.037 0.087 0.000 0.624 866 A CB -1.097 17.986 19.000 0.137 0.000 0.822 866 A HN 0.494 nan 8.150 nan 0.000 0.444 867 F N 0.508 120.406 119.950 -0.086 0.000 2.102 867 F HA -0.112 4.417 4.527 0.003 0.000 0.298 867 F C 1.975 177.624 175.800 -0.252 0.000 1.105 867 F CA 1.671 59.552 58.000 -0.199 0.000 1.239 867 F CB -0.311 38.521 39.000 -0.280 0.000 0.991 867 F HN 0.133 nan 8.300 nan 0.000 0.474 868 L N -0.179 120.990 121.223 -0.089 0.000 2.129 868 L HA -0.273 4.069 4.340 0.004 0.000 0.212 868 L C 2.607 179.434 176.870 -0.072 0.000 1.087 868 L CA 1.481 56.258 54.840 -0.105 0.000 0.757 868 L CB -0.652 41.431 42.059 0.040 0.000 0.896 868 L HN 0.113 nan 8.230 nan 0.000 0.434 869 R N -0.598 119.866 120.500 -0.061 0.000 2.075 869 R HA -0.107 4.235 4.340 0.004 0.000 0.232 869 R C 2.548 178.823 176.300 -0.042 0.000 1.126 869 R CA 1.563 57.648 56.100 -0.026 0.000 0.963 869 R CB -0.185 30.112 30.300 -0.005 0.000 0.858 869 R HN 0.264 nan 8.270 nan 0.000 0.435 870 S N 0.578 116.201 115.700 -0.129 0.000 2.370 870 S HA -0.176 4.296 4.470 0.004 0.000 0.226 870 S C 1.881 176.407 174.600 -0.123 0.000 1.033 870 S CA 1.361 59.489 58.200 -0.121 0.000 1.011 870 S CB -0.109 62.961 63.200 -0.216 0.000 0.852 870 S HN 0.282 nan 8.310 nan 0.000 0.457 871 M N 0.894 120.279 119.600 -0.359 0.000 2.200 871 M HA -0.021 4.461 4.480 0.004 0.000 0.265 871 M C 2.566 178.977 176.300 0.184 0.000 1.066 871 M CA 1.125 56.255 55.300 -0.284 0.000 1.127 871 M CB -0.593 31.545 32.600 -0.771 0.000 1.379 871 M HN 0.416 nan 8.290 nan 0.000 0.420 872 A N 0.322 123.339 122.820 0.328 0.000 1.883 872 A HA -0.179 4.143 4.320 0.004 0.000 0.217 872 A C 2.169 179.902 177.584 0.248 0.000 1.186 872 A CA 2.442 54.696 52.037 0.361 0.000 0.624 872 A CB -1.234 17.853 19.000 0.145 0.000 0.822 872 A HN 0.452 nan 8.150 nan 0.000 0.444 873 T N 0.282 114.925 114.554 0.149 0.000 2.708 873 T HA -0.018 4.334 4.350 0.004 0.000 0.266 873 T C 2.208 176.994 174.700 0.144 0.000 1.037 873 T CA 1.666 63.836 62.100 0.116 0.000 1.146 873 T CB -0.487 68.432 68.868 0.085 0.000 0.865 873 T HN 0.617 nan 8.240 nan 0.000 0.435 874 A N 0.831 123.761 122.820 0.182 0.000 1.933 874 A HA -0.165 4.158 4.320 0.004 0.000 0.218 874 A C 2.105 179.838 177.584 0.249 0.000 1.175 874 A CA 1.631 53.788 52.037 0.201 0.000 0.628 874 A CB -0.926 18.230 19.000 0.259 0.000 0.814 874 A HN 0.717 nan 8.150 nan 0.000 0.444 875 H N -0.945 118.244 119.070 0.200 0.000 2.389 875 H HA -0.055 4.503 4.556 0.003 0.000 0.299 875 H C 1.893 177.329 175.328 0.179 0.000 1.081 875 H CA 1.540 57.735 56.048 0.246 0.000 1.345 875 H CB 0.231 30.287 29.762 0.490 0.000 1.393 875 H HN 0.256 nan 8.280 nan 0.000 0.520 876 V N 0.027 119.997 119.914 0.094 0.000 2.667 876 V HA -0.129 3.993 4.120 0.004 0.000 0.252 876 V C 1.871 177.958 176.094 -0.013 0.000 1.065 876 V CA 1.574 63.867 62.300 -0.011 0.000 1.083 876 V CB 0.097 31.948 31.823 0.046 0.000 0.692 876 V HN 0.319 nan 8.190 nan 0.000 0.468 877 S N -0.755 114.965 115.700 0.032 0.000 2.577 877 S HA 0.387 4.859 4.470 0.004 0.000 0.219 877 S C 1.294 175.913 174.600 0.031 0.000 0.962 877 S CA 0.728 58.944 58.200 0.026 0.000 0.921 877 S CB 0.790 64.016 63.200 0.045 0.000 0.789 877 S HN 0.787 nan 8.310 nan 0.000 0.497 878 G N 0.400 109.222 108.800 0.036 0.000 2.273 878 G HA2 -0.167 3.795 3.960 0.004 0.000 0.162 878 G HA3 -0.167 3.795 3.960 0.004 0.000 0.162 878 G C -0.063 174.905 174.900 0.114 0.000 1.006 878 G CA -0.440 44.688 45.100 0.046 0.000 0.704 878 G HN 0.310 nan 8.290 nan 0.000 0.487 879 V N 3.353 123.371 119.914 0.174 0.000 2.461 879 V HA 0.493 4.615 4.120 0.004 0.000 0.275 879 V C -0.045 176.228 176.094 0.299 0.000 1.047 879 V CA -0.365 62.048 62.300 0.189 0.000 0.955 879 V CB 1.404 33.330 31.823 0.171 0.000 0.988 879 V HN 0.443 nan 8.190 nan 0.000 0.471 880 D N 5.153 125.682 120.400 0.215 0.000 2.210 880 D HA 0.494 5.136 4.640 0.004 0.000 0.249 880 D C -0.549 175.739 176.300 -0.020 0.000 1.062 880 D CA -0.501 53.609 54.000 0.182 0.000 0.891 880 D CB 1.728 42.632 40.800 0.173 0.000 1.186 880 D HN 0.147 nan 8.370 nan 0.000 0.432 881 I N 0.271 120.650 120.570 -0.318 0.000 2.646 881 I HA 0.291 4.463 4.170 0.004 0.000 0.299 881 I C 0.468 176.257 176.117 -0.547 0.000 1.036 881 I CA -0.893 60.057 61.300 -0.583 0.000 1.074 881 I CB 1.572 38.716 38.000 -1.426 0.000 1.258 881 I HN 0.224 nan 8.210 nan 0.000 0.430 882 R N 3.449 123.779 120.500 -0.282 0.000 2.408 882 R HA 0.152 4.494 4.340 0.004 0.000 0.308 882 R C 0.095 176.372 176.300 -0.038 0.000 1.210 882 R CA -0.076 55.958 56.100 -0.109 0.000 1.115 882 R CB 0.243 30.528 30.300 -0.025 0.000 1.127 882 R HN 0.623 nan 8.270 nan 0.000 0.523 883 W N 1.475 122.828 121.300 0.089 0.000 2.421 883 W HA -0.159 4.503 4.660 0.003 0.000 0.270 883 W C 1.709 178.299 176.519 0.117 0.000 1.233 883 W CA 0.651 58.068 57.345 0.121 0.000 1.226 883 W CB 0.037 29.516 29.460 0.032 0.000 1.121 883 W HN 0.563 nan 8.180 nan 0.000 0.579 884 D N 0.159 120.711 120.400 0.254 0.000 2.311 884 D HA -0.158 4.484 4.640 0.004 0.000 0.212 884 D C 1.870 178.222 176.300 0.087 0.000 0.972 884 D CA 1.123 55.215 54.000 0.154 0.000 0.887 884 D CB -0.950 39.913 40.800 0.106 0.000 0.915 884 D HN 0.164 nan 8.370 nan 0.000 0.497 885 V N 1.479 121.410 119.914 0.028 0.000 2.515 885 V HA -0.159 3.963 4.120 0.004 0.000 0.250 885 V C 2.704 178.785 176.094 -0.022 0.000 1.058 885 V CA 1.625 63.840 62.300 -0.141 0.000 1.064 885 V CB -0.645 30.846 31.823 -0.552 0.000 0.675 885 V HN 0.364 nan 8.190 nan 0.000 0.461 886 A N -0.673 122.288 122.820 0.234 0.000 2.235 886 A HA 0.211 4.533 4.320 0.004 0.000 0.208 886 A C 1.153 178.841 177.584 0.173 0.000 1.172 886 A CA 0.677 52.894 52.037 0.300 0.000 0.786 886 A CB -0.297 18.967 19.000 0.440 0.000 0.804 886 A HN 0.554 nan 8.150 nan 0.000 0.479 887 L N 0.732 122.033 121.223 0.129 0.000 2.725 887 L HA 0.260 4.603 4.340 0.004 0.000 0.270 887 L C -2.674 174.236 176.870 0.065 0.000 1.422 887 L CA -1.435 53.464 54.840 0.097 0.000 0.770 887 L CB 1.072 43.195 42.059 0.107 0.000 1.081 887 L HN 0.014 nan 8.230 nan 0.000 0.527 888 P HA 0.165 nan 4.420 nan 0.000 0.271 888 P C 1.002 178.321 177.300 0.031 0.000 1.218 888 P CA 0.984 64.101 63.100 0.028 0.000 0.780 888 P CB 1.665 33.374 31.700 0.014 0.000 0.901 889 G N 1.457 110.271 108.800 0.024 0.000 2.347 889 G HA2 -0.267 3.695 3.960 0.004 0.000 0.247 889 G HA3 -0.267 3.695 3.960 0.004 0.000 0.247 889 G C 0.494 175.410 174.900 0.026 0.000 1.037 889 G CA 0.264 45.375 45.100 0.019 0.000 0.622 889 G HN 0.908 nan 8.290 nan 0.000 0.521 890 A N 0.354 123.200 122.820 0.043 0.000 2.466 890 A HA 0.747 5.069 4.320 0.004 0.000 0.238 890 A C 0.674 178.292 177.584 0.057 0.000 1.074 890 A CA 1.384 53.454 52.037 0.056 0.000 0.774 890 A CB 0.498 19.540 19.000 0.069 0.000 1.015 890 A HN 2.193 nan 8.150 nan 0.000 0.498 891 A N 2.823 125.684 122.820 0.069 0.000 2.355 891 A HA 0.748 5.070 4.320 0.004 0.000 0.317 891 A C -2.801 174.849 177.584 0.110 0.000 1.094 891 A CA -1.835 50.246 52.037 0.074 0.000 0.764 891 A CB 0.698 19.734 19.000 0.060 0.000 1.230 891 A HN 0.607 nan 8.150 nan 0.000 0.448 892 P HA 0.153 nan 4.420 nan 0.000 0.263 892 P C -0.760 176.635 177.300 0.158 0.000 1.195 892 P CA 0.354 63.525 63.100 0.118 0.000 0.762 892 P CB 0.008 31.755 31.700 0.077 0.000 0.799 893 F N 3.025 122.988 119.950 0.022 0.000 2.399 893 F HA 0.424 4.953 4.527 0.004 0.000 0.342 893 F C 0.650 176.459 175.800 0.015 0.000 1.106 893 F CA -0.524 57.486 58.000 0.017 0.000 1.196 893 F CB 0.642 39.652 39.000 0.016 0.000 1.163 893 F HN 0.340 nan 8.300 nan 0.000 0.547 894 A N 6.981 129.558 122.820 -0.404 0.000 2.488 894 A HA 0.470 4.792 4.320 0.004 0.000 0.249 894 A C -0.673 176.828 177.584 -0.138 0.000 1.083 894 A CA -0.171 51.719 52.037 -0.244 0.000 0.768 894 A CB -0.230 18.594 19.000 -0.293 0.000 1.017 894 A HN 0.802 nan 8.150 nan 0.000 0.496 895 L N 3.281 124.494 121.223 -0.016 0.000 2.303 895 L HA 0.561 4.903 4.340 0.004 0.000 0.266 895 L C -1.807 175.080 176.870 0.029 0.000 1.011 895 L CA -2.097 52.774 54.840 0.051 0.000 0.818 895 L CB 1.816 43.916 42.059 0.069 0.000 1.326 895 L HN 0.581 nan 8.230 nan 0.000 0.435 896 P HA 0.194 nan 4.420 nan 0.000 0.276 896 P C -0.681 176.636 177.300 0.029 0.000 1.261 896 P CA -0.287 62.828 63.100 0.025 0.000 0.800 896 P CB 0.839 32.547 31.700 0.012 0.000 1.066 897 T N -2.377 112.199 114.554 0.037 0.000 2.862 897 T HA 0.241 4.593 4.350 0.004 0.000 0.276 897 T C 0.029 174.719 174.700 -0.017 0.000 0.974 897 T CA -0.618 61.526 62.100 0.072 0.000 0.966 897 T CB 0.035 68.989 68.868 0.143 0.000 1.072 897 T HN 0.334 nan 8.240 nan 0.000 0.538 898 Y N 2.396 122.593 120.300 -0.172 0.000 2.810 898 Y HA 0.228 4.780 4.550 0.004 0.000 0.332 898 Y C -1.998 173.483 175.900 -0.698 0.000 1.243 898 Y CA -1.455 56.338 58.100 -0.511 0.000 1.537 898 Y CB 0.323 38.203 38.460 -0.967 0.000 1.265 898 Y HN 0.448 nan 8.280 nan 0.000 0.572 899 P HA 0.063 nan 4.420 nan 0.000 0.230 899 P C -1.023 175.960 177.300 -0.528 0.000 1.791 899 P CA 0.010 62.710 63.100 -0.667 0.000 1.020 899 P CB -0.849 30.495 31.700 -0.594 0.000 1.977 900 F N 0.953 120.820 119.950 -0.137 0.000 2.607 900 F HA 0.005 4.534 4.527 0.003 0.000 0.374 900 F C 1.523 177.280 175.800 -0.072 0.000 1.104 900 F CA 0.738 58.698 58.000 -0.068 0.000 1.296 900 F CB 0.248 39.223 39.000 -0.041 0.000 1.085 900 F HN 0.157 nan 8.300 nan 0.000 0.584 901 Q N 4.461 124.353 119.800 0.153 0.000 2.636 901 Q HA 0.269 4.611 4.340 0.004 0.000 0.233 901 Q C -0.136 175.910 176.000 0.075 0.000 1.143 901 Q CA -0.203 55.639 55.803 0.065 0.000 0.969 901 Q CB 0.680 29.431 28.738 0.022 0.000 1.185 901 Q HN 0.596 nan 8.270 nan 0.000 0.546 902 R N 0.978 121.528 120.500 0.083 0.000 2.490 902 R HA 0.404 4.746 4.340 0.004 0.000 0.278 902 R C 0.172 176.505 176.300 0.056 0.000 1.069 902 R CA -0.067 56.091 56.100 0.097 0.000 1.080 902 R CB 1.188 31.554 30.300 0.110 0.000 1.030 902 R HN 0.154 nan 8.270 nan 0.000 0.491 903 K N 1.671 122.107 120.400 0.060 0.000 2.385 903 K HA 0.291 4.613 4.320 0.004 0.000 0.248 903 K C -0.560 175.897 176.600 -0.238 0.000 0.955 903 K CA -1.054 55.161 56.287 -0.120 0.000 0.816 903 K CB 2.428 34.792 32.500 -0.226 0.000 1.250 903 K HN 0.348 nan 8.250 nan 0.000 0.434 904 R N 2.333 122.665 120.500 -0.280 0.000 2.343 904 R HA 0.090 4.432 4.340 0.004 0.000 0.326 904 R C -1.078 174.981 176.300 -0.402 0.000 1.055 904 R CA 0.359 56.334 56.100 -0.209 0.000 0.961 904 R CB 0.009 30.232 30.300 -0.129 0.000 0.978 904 R HN 0.409 nan 8.270 nan 0.000 0.443 905 Y N 3.924 124.355 120.300 0.219 0.000 2.377 905 Y HA 0.476 5.028 4.550 0.004 0.000 0.339 905 Y C -0.084 176.081 175.900 0.442 0.000 1.011 905 Y CA -0.513 57.743 58.100 0.260 0.000 1.093 905 Y CB 1.536 40.123 38.460 0.212 0.000 1.201 905 Y HN 0.501 nan 8.280 nan 0.000 0.455 906 W N 5.053 126.505 121.300 0.253 0.000 3.979 906 W HA 0.328 4.990 4.660 0.003 0.000 0.265 906 W C -2.478 174.115 176.519 0.124 0.000 1.273 906 W CA -1.007 56.472 57.345 0.224 0.000 1.231 906 W CB 0.905 30.448 29.460 0.137 0.000 1.236 906 W HN 0.485 nan 8.180 nan 0.000 0.564 907 L N 4.144 125.263 121.223 -0.174 0.000 2.343 907 L HA 0.410 4.752 4.340 0.004 0.000 0.275 907 L C 0.703 177.539 176.870 -0.057 0.000 1.056 907 L CA -0.759 54.002 54.840 -0.131 0.000 0.804 907 L CB 1.103 42.977 42.059 -0.309 0.000 1.203 907 L HN 0.343 nan 8.230 nan 0.000 0.440 908 Q N 0.000 119.815 119.800 0.024 0.000 2.315 908 Q HA 0.000 4.342 4.340 0.004 0.000 0.214 908 Q CA 0.000 55.821 55.803 0.031 0.000 1.022 908 Q CB 0.000 28.769 28.738 0.052 0.000 1.108 908 Q HN 0.000 nan 8.270 nan 0.000 0.481