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 2vw2_1_A DATA FIRST_RESID 39 DATA SEQUENCE ISPIFQGGSY QLNNKSIDIS SLLLDKLSGE SQTVVMKFKA DKPNSLQALF DATA SEQUENCE GLSNSKAGFK NNYFSIFMRD SGEIGVEIRD AQKGINYLFS RPASLWGKHK DATA SEQUENCE GQAVENTLVF VSDSKDKTYT MYVNGIEVFS ETVDTFLPIS NINGIDKATL DATA SEQUENCE GAVNREGKEH YLAKGSIDEI SLFNKAISDQ EVSTIPLSNP FQLIFQSGDS DATA SEQUENCE TQANYFRIPT LYTLSSGRVL SSIDARYGGT HDSKSKINIA TSYSDDNGKT DATA SEQUENCE WSEPIFAMKF NDYEEQLVYW PRDNKLKNSQ ISGSASFIDS SIVEDKKSGK DATA SEQUENCE TILLADVMPA GIGNNNANKA DSGFKEINGH YYLKLKKNGD NDFRYTVREN DATA SEQUENCE GVVYNETTNK PTNYTINDKY EVLEGGKSLT VEQYSVDFDS GSLRERHNGK DATA SEQUENCE QVPMNVFYKD SLFKVTPTNY IAMTTSQNRG ESWEQFKLLP PFLGEKHNGT DATA SEQUENCE YLCPGQGLAL KSSNRLIFAT YTSGELTYLI SDDSGQTWKK SSASIPFKNA DATA SEQUENCE TAEAQMVELR DGVIRTFFRT TTGKIAYMTS RDSGETWSKV SYIDGIQQTS DATA SEQUENCE YGTQVSAIKY SQLIDGKEAV ILSTPNSRSG RKGGQLVVGL VNKEDDSIDW DATA SEQUENCE KYHYDIDLPS YGYAYSAITE LPNHHIGVLF EKYDSWSRNE LHLSNVVQYI DATA SEQUENCE DLEINDLT 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 39 I HA 0.000 nan 4.170 nan 0.000 0.288 39 I C 0.000 176.257 176.117 0.233 0.000 1.063 39 I CA 0.000 61.373 61.300 0.121 0.000 1.566 39 I CB 0.000 38.079 38.000 0.132 0.000 1.214 40 S N 2.109 117.916 115.700 0.178 0.000 2.576 40 S HA 0.582 5.052 4.470 -0.001 0.000 0.276 40 S C -2.292 172.369 174.600 0.102 0.000 1.339 40 S CA -0.736 57.555 58.200 0.152 0.000 1.039 40 S CB 0.292 63.531 63.200 0.064 0.000 0.902 40 S HN 0.543 nan 8.310 nan 0.000 0.516 41 P HA 0.167 nan 4.420 nan 0.000 0.269 41 P C 0.667 177.824 177.300 -0.237 0.000 1.215 41 P CA -0.161 62.586 63.100 -0.588 0.000 0.780 41 P CB 0.239 31.563 31.700 -0.626 0.000 0.898 42 I N -1.634 118.822 120.570 -0.190 0.000 3.030 42 I HA 0.335 4.504 4.170 -0.001 0.000 0.270 42 I C 0.173 176.340 176.117 0.082 0.000 1.211 42 I CA 0.710 62.000 61.300 -0.016 0.000 1.479 42 I CB -0.039 37.981 38.000 0.034 0.000 1.105 42 I HN 0.064 nan 8.210 nan 0.000 0.447 43 F N 1.570 121.436 119.950 -0.141 0.000 2.615 43 F HA 0.586 5.113 4.527 -0.001 0.000 0.312 43 F C -1.216 174.524 175.800 -0.100 0.000 1.119 43 F CA -0.566 57.391 58.000 -0.073 0.000 0.979 43 F CB 1.563 40.552 39.000 -0.017 0.000 1.266 43 F HN -0.000 nan 8.300 nan 0.000 0.444 44 Q N 4.005 123.257 119.800 -0.913 0.000 2.268 44 Q HA 0.685 5.025 4.340 -0.001 0.000 0.266 44 Q C -1.453 174.071 176.000 -0.793 0.000 1.006 44 Q CA -0.773 54.614 55.803 -0.692 0.000 0.824 44 Q CB 2.284 30.826 28.738 -0.327 0.000 1.306 44 Q HN 1.083 nan 8.270 nan 0.000 0.424 45 G N 0.784 109.274 108.800 -0.516 0.000 2.672 45 G HA2 0.848 4.807 3.960 -0.001 0.000 0.292 45 G HA3 0.848 4.807 3.960 -0.001 0.000 0.292 45 G C -1.188 173.691 174.900 -0.035 0.000 1.375 45 G CA -0.290 44.706 45.100 -0.173 0.000 0.890 45 G HN 0.700 nan 8.290 nan 0.000 0.476 46 G N -1.298 107.312 108.800 -0.317 0.000 2.682 46 G HA2 0.629 4.589 3.960 -0.001 0.000 0.290 46 G HA3 0.629 4.589 3.960 -0.001 0.000 0.290 46 G C 0.263 174.844 174.900 -0.531 0.000 1.425 46 G CA 0.661 45.588 45.100 -0.289 0.000 0.807 46 G HN 2.091 nan 8.290 nan 0.000 0.482 47 S N -1.629 113.935 115.700 -0.226 0.000 3.378 47 S HA -0.251 4.219 4.470 -0.001 0.000 0.365 47 S C -0.311 174.174 174.600 -0.191 0.000 0.951 47 S CA 0.918 59.031 58.200 -0.145 0.000 1.274 47 S CB -2.344 60.793 63.200 -0.104 0.000 0.915 47 S HN 0.757 nan 8.310 nan 0.000 0.513 48 Y N 0.570 120.926 120.300 0.093 0.000 2.327 48 Y HA 0.470 5.019 4.550 -0.001 0.000 0.336 48 Y C 0.976 176.934 175.900 0.098 0.000 1.035 48 Y CA -0.900 57.259 58.100 0.099 0.000 1.165 48 Y CB 0.774 39.308 38.460 0.123 0.000 1.181 48 Y HN 0.351 nan 8.280 nan 0.000 0.494 49 Q N 4.406 124.341 119.800 0.226 0.000 2.296 49 Q HA 0.345 4.684 4.340 -0.001 0.000 0.257 49 Q C -0.891 175.203 176.000 0.157 0.000 0.942 49 Q CA -0.336 55.565 55.803 0.163 0.000 0.939 49 Q CB 1.675 30.481 28.738 0.112 0.000 1.198 49 Q HN 0.718 nan 8.270 nan 0.000 0.429 50 L N 3.512 124.821 121.223 0.143 0.000 2.287 50 L HA 0.351 4.691 4.340 -0.001 0.000 0.280 50 L C 0.242 177.166 176.870 0.090 0.000 1.055 50 L CA -0.319 54.588 54.840 0.112 0.000 0.863 50 L CB 0.281 42.408 42.059 0.113 0.000 1.245 50 L HN 0.314 nan 8.230 nan 0.000 0.432 51 N N 4.488 123.232 118.700 0.073 0.000 2.806 51 N HA 0.113 4.853 4.740 -0.001 0.000 0.315 51 N C -0.272 175.263 175.510 0.041 0.000 1.738 51 N CA -0.201 52.883 53.050 0.057 0.000 0.993 51 N CB 0.614 39.133 38.487 0.053 0.000 1.324 51 N HN 0.484 nan 8.380 nan 0.000 0.493 52 N N 1.064 119.787 118.700 0.039 0.000 2.721 52 N HA -0.212 4.527 4.740 -0.001 0.000 0.249 52 N C -0.454 175.064 175.510 0.012 0.000 1.072 52 N CA 1.109 54.172 53.050 0.022 0.000 0.710 52 N CB -0.636 37.859 38.487 0.014 0.000 0.993 52 N HN 0.568 nan 8.380 nan 0.000 0.547 53 K N 0.471 120.883 120.400 0.021 0.000 2.619 53 K HA 0.164 4.484 4.320 -0.001 0.000 0.251 53 K C -0.271 176.341 176.600 0.019 0.000 0.987 53 K CA -0.402 55.894 56.287 0.015 0.000 0.844 53 K CB 0.986 33.499 32.500 0.021 0.000 1.237 53 K HN 0.121 nan 8.250 nan 0.000 0.447 54 S N 4.078 119.780 115.700 0.003 0.000 2.568 54 S HA 0.266 4.735 4.470 -0.001 0.000 0.282 54 S C 0.381 174.983 174.600 0.003 0.000 1.338 54 S CA -0.377 57.821 58.200 -0.004 0.000 1.045 54 S CB 0.344 63.529 63.200 -0.024 0.000 0.873 54 S HN 0.493 nan 8.310 nan 0.000 0.516 55 I N 1.848 122.413 120.570 -0.009 0.000 2.362 55 I HA 0.256 4.426 4.170 -0.001 0.000 0.289 55 I C -0.348 175.747 176.117 -0.036 0.000 0.994 55 I CA -0.663 60.635 61.300 -0.003 0.000 1.158 55 I CB 1.500 39.498 38.000 -0.003 0.000 1.315 55 I HN 0.668 nan 8.210 nan 0.000 0.451 56 D N 7.293 127.687 120.400 -0.010 0.000 2.316 56 D HA 0.265 4.905 4.640 -0.001 0.000 0.245 56 D C 0.524 176.818 176.300 -0.010 0.000 1.171 56 D CA -0.235 53.751 54.000 -0.023 0.000 0.856 56 D CB 0.843 41.637 40.800 -0.011 0.000 1.090 56 D HN 0.526 nan 8.370 nan 0.000 0.476 57 I N 0.573 121.114 120.570 -0.048 0.000 3.856 57 I HA 0.233 4.402 4.170 -0.001 0.000 0.330 57 I C 1.045 177.107 176.117 -0.092 0.000 1.546 57 I CA -0.569 60.702 61.300 -0.050 0.000 1.132 57 I CB 0.443 38.377 38.000 -0.110 0.000 1.157 57 I HN 0.059 nan 8.210 nan 0.000 0.440 58 S N 2.146 117.810 115.700 -0.061 0.000 2.359 58 S HA -0.218 4.252 4.470 -0.001 0.000 0.223 58 S C 2.172 176.752 174.600 -0.034 0.000 1.039 58 S CA 2.396 60.562 58.200 -0.056 0.000 1.042 58 S CB -0.342 62.835 63.200 -0.038 0.000 0.915 58 S HN 0.821 nan 8.310 nan 0.000 0.439 59 S N 1.211 116.910 115.700 -0.003 0.000 2.481 59 S HA 0.123 4.593 4.470 -0.001 0.000 0.231 59 S C 1.610 176.235 174.600 0.042 0.000 0.996 59 S CA 0.546 58.758 58.200 0.020 0.000 0.942 59 S CB -0.456 62.763 63.200 0.032 0.000 0.768 59 S HN 0.412 nan 8.310 nan 0.000 0.520 60 L N -0.674 120.578 121.223 0.048 0.000 2.298 60 L HA 0.310 4.649 4.340 -0.001 0.000 0.209 60 L C 2.219 179.128 176.870 0.065 0.000 1.084 60 L CA 0.377 55.295 54.840 0.130 0.000 0.816 60 L CB -0.153 42.096 42.059 0.318 0.000 0.967 60 L HN 0.305 nan 8.230 nan 0.000 0.460 61 L N -1.196 119.950 121.223 -0.128 0.000 2.526 61 L HA 0.153 4.492 4.340 -0.001 0.000 0.210 61 L C 2.017 178.852 176.870 -0.058 0.000 1.048 61 L CA 1.119 55.840 54.840 -0.197 0.000 0.852 61 L CB -0.107 41.646 42.059 -0.509 0.000 1.128 61 L HN -0.023 nan 8.230 nan 0.000 0.482 62 L N 0.783 121.978 121.223 -0.047 0.000 2.042 62 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 62 L C 1.941 178.815 176.870 0.006 0.000 1.076 62 L CA 1.782 56.613 54.840 -0.015 0.000 0.749 62 L CB -0.874 41.173 42.059 -0.021 0.000 0.893 62 L HN 0.488 nan 8.230 nan 0.000 0.432 63 D N -0.706 119.700 120.400 0.011 0.000 2.363 63 D HA -0.143 4.497 4.640 -0.001 0.000 0.220 63 D C 1.587 177.906 176.300 0.032 0.000 0.994 63 D CA 0.662 54.675 54.000 0.021 0.000 0.890 63 D CB -0.036 40.777 40.800 0.021 0.000 0.906 63 D HN 0.228 nan 8.370 nan 0.000 0.530 64 K N 0.082 120.505 120.400 0.038 0.000 2.323 64 K HA 0.188 4.508 4.320 -0.001 0.000 0.197 64 K C 0.933 177.565 176.600 0.053 0.000 1.043 64 K CA -0.151 56.168 56.287 0.053 0.000 0.997 64 K CB 0.646 33.193 32.500 0.078 0.000 0.807 64 K HN 0.252 nan 8.250 nan 0.000 0.497 65 L N 2.830 124.082 121.223 0.049 0.000 2.410 65 L HA 0.029 4.368 4.340 -0.001 0.000 0.273 65 L C 0.258 177.159 176.870 0.052 0.000 1.144 65 L CA -0.028 54.846 54.840 0.057 0.000 0.863 65 L CB 0.516 42.611 42.059 0.060 0.000 1.140 65 L HN 0.067 nan 8.230 nan 0.000 0.463 66 S N 1.603 117.337 115.700 0.057 0.000 2.537 66 S HA 0.880 5.350 4.470 -0.001 0.000 0.270 66 S C -0.271 174.363 174.600 0.057 0.000 1.142 66 S CA -0.284 57.946 58.200 0.051 0.000 0.870 66 S CB 1.908 65.134 63.200 0.044 0.000 1.112 66 S HN 1.201 nan 8.310 nan 0.000 0.466 67 G N 1.573 110.405 108.800 0.053 0.000 2.796 67 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.571 67 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.571 67 G C -0.123 174.823 174.900 0.077 0.000 1.370 67 G CA 0.091 45.224 45.100 0.056 0.000 0.856 67 G HN 0.853 nan 8.290 nan 0.000 0.538 68 E N -0.472 119.778 120.200 0.083 0.000 2.476 68 E HA 0.249 4.599 4.350 -0.001 0.000 0.199 68 E C 0.528 177.233 176.600 0.176 0.000 1.021 68 E CA 0.530 57.016 56.400 0.144 0.000 0.907 68 E CB 0.475 30.263 29.700 0.147 0.000 0.974 68 E HN 0.315 nan 8.360 nan 0.000 0.489 69 S N 0.985 116.740 115.700 0.092 0.000 2.473 69 S HA 0.466 4.936 4.470 -0.001 0.000 0.307 69 S C -0.584 174.068 174.600 0.087 0.000 1.094 69 S CA -0.673 57.569 58.200 0.070 0.000 1.070 69 S CB 1.705 64.896 63.200 -0.015 0.000 1.019 69 S HN -0.011 nan 8.310 nan 0.000 0.480 70 Q N 0.868 120.726 119.800 0.096 0.000 2.379 70 Q HA 0.619 4.959 4.340 -0.001 0.000 0.278 70 Q C -1.218 174.847 176.000 0.108 0.000 1.068 70 Q CA -0.487 55.387 55.803 0.119 0.000 0.816 70 Q CB 2.332 31.145 28.738 0.125 0.000 1.387 70 Q HN 0.574 nan 8.270 nan 0.000 0.413 71 T N 0.630 115.296 114.554 0.188 0.000 2.824 71 T HA 0.636 4.986 4.350 -0.001 0.000 0.282 71 T C -1.008 173.893 174.700 0.334 0.000 0.993 71 T CA -0.560 61.660 62.100 0.200 0.000 0.967 71 T CB 1.108 70.031 68.868 0.093 0.000 0.960 71 T HN 0.287 nan 8.240 nan 0.000 0.441 72 V N 3.731 123.832 119.914 0.311 0.000 2.384 72 V HA 0.498 4.618 4.120 -0.001 0.000 0.287 72 V C -0.250 176.009 176.094 0.275 0.000 1.020 72 V CA -0.723 61.739 62.300 0.269 0.000 0.850 72 V CB 1.616 33.579 31.823 0.234 0.000 0.987 72 V HN 0.700 nan 8.190 nan 0.000 0.436 73 V N 6.326 126.406 119.914 0.277 0.000 2.384 73 V HA 0.565 4.684 4.120 -0.001 0.000 0.287 73 V C -0.182 176.033 176.094 0.202 0.000 1.020 73 V CA -0.362 62.084 62.300 0.244 0.000 0.850 73 V CB 1.593 33.584 31.823 0.280 0.000 0.987 73 V HN 0.901 nan 8.190 nan 0.000 0.436 74 M N 5.272 125.000 119.600 0.213 0.000 2.213 74 M HA 0.517 4.996 4.480 -0.001 0.000 0.286 74 M C -1.255 175.231 176.300 0.310 0.000 1.008 74 M CA -0.563 54.880 55.300 0.238 0.000 0.937 74 M CB 1.805 34.530 32.600 0.209 0.000 1.600 74 M HN 0.514 nan 8.290 nan 0.000 0.450 75 K N 5.603 126.165 120.400 0.271 0.000 2.240 75 K HA 0.612 4.932 4.320 -0.001 0.000 0.271 75 K C -1.329 175.462 176.600 0.318 0.000 1.018 75 K CA -0.310 56.117 56.287 0.233 0.000 0.874 75 K CB 1.251 33.833 32.500 0.137 0.000 1.098 75 K HN 0.561 nan 8.250 nan 0.000 0.458 76 F N -0.288 119.742 119.950 0.133 0.000 2.645 76 F HA 0.581 5.108 4.527 -0.001 0.000 0.310 76 F C -1.427 174.460 175.800 0.145 0.000 1.102 76 F CA -1.222 56.863 58.000 0.141 0.000 0.952 76 F CB 1.446 40.535 39.000 0.149 0.000 1.326 76 F HN 0.118 nan 8.300 nan 0.000 0.456 77 K N 1.711 122.221 120.400 0.183 0.000 2.316 77 K HA 0.866 5.186 4.320 -0.001 0.000 0.251 77 K C -1.519 175.250 176.600 0.280 0.000 0.934 77 K CA -1.304 55.039 56.287 0.093 0.000 0.802 77 K CB 2.291 34.852 32.500 0.100 0.000 1.171 77 K HN 0.943 nan 8.250 nan 0.000 0.426 78 A N 2.469 125.424 122.820 0.227 0.000 2.839 78 A HA 0.158 4.478 4.320 -0.001 0.000 0.303 78 A C -0.592 177.080 177.584 0.148 0.000 1.181 78 A CA -0.694 51.494 52.037 0.252 0.000 0.808 78 A CB 0.131 19.370 19.000 0.398 0.000 1.391 78 A HN 0.852 nan 8.150 nan 0.000 0.433 79 D N 1.055 121.505 120.400 0.084 0.000 2.349 79 D HA 0.052 4.691 4.640 -0.001 0.000 0.214 79 D C 0.131 176.418 176.300 -0.021 0.000 1.063 79 D CA 0.451 54.456 54.000 0.009 0.000 0.847 79 D CB 0.404 41.217 40.800 0.021 0.000 0.933 79 D HN 0.280 nan 8.370 nan 0.000 0.513 80 K N 1.542 121.956 120.400 0.023 0.000 3.253 80 K HA 0.274 4.593 4.320 -0.001 0.000 0.174 80 K C -2.713 173.916 176.600 0.049 0.000 1.071 80 K CA -1.178 55.118 56.287 0.015 0.000 0.836 80 K CB 1.855 34.367 32.500 0.019 0.000 0.922 80 K HN 0.188 nan 8.250 nan 0.000 0.565 81 P HA 0.118 nan 4.420 nan 0.000 0.274 81 P C -0.339 177.016 177.300 0.091 0.000 1.231 81 P CA -0.242 62.925 63.100 0.112 0.000 0.790 81 P CB 0.747 32.551 31.700 0.174 0.000 0.951 82 N N -0.350 118.405 118.700 0.091 0.000 2.354 82 N HA 0.012 4.751 4.740 -0.001 0.000 0.246 82 N C 1.620 177.187 175.510 0.095 0.000 1.285 82 N CA -0.210 52.886 53.050 0.078 0.000 0.925 82 N CB 0.130 38.659 38.487 0.069 0.000 1.174 82 N HN 0.390 nan 8.380 nan 0.000 0.478 83 S N -0.019 115.730 115.700 0.081 0.000 2.365 83 S HA -0.142 4.328 4.470 -0.001 0.000 0.225 83 S C 0.292 174.954 174.600 0.104 0.000 1.039 83 S CA 1.339 59.591 58.200 0.087 0.000 1.033 83 S CB -0.197 63.041 63.200 0.064 0.000 0.887 83 S HN 0.408 nan 8.310 nan 0.000 0.447 84 L N 1.888 123.174 121.223 0.104 0.000 2.476 84 L HA 0.517 4.857 4.340 -0.001 0.000 0.269 84 L C -1.400 175.551 176.870 0.134 0.000 0.965 84 L CA -0.333 54.572 54.840 0.109 0.000 0.845 84 L CB 1.787 43.881 42.059 0.058 0.000 1.259 84 L HN 0.409 nan 8.230 nan 0.000 0.403 85 Q N 4.380 124.262 119.800 0.137 0.000 2.345 85 Q HA 0.890 5.229 4.340 -0.001 0.000 0.275 85 Q C -1.447 174.621 176.000 0.112 0.000 1.063 85 Q CA -0.963 54.922 55.803 0.137 0.000 0.819 85 Q CB 2.039 30.846 28.738 0.115 0.000 1.356 85 Q HN 0.838 nan 8.270 nan 0.000 0.418 86 A N 3.176 126.060 122.820 0.107 0.000 2.289 86 A HA 0.445 4.765 4.320 -0.001 0.000 0.298 86 A C 0.348 177.940 177.584 0.013 0.000 1.208 86 A CA -0.698 51.367 52.037 0.047 0.000 0.845 86 A CB 0.193 19.215 19.000 0.037 0.000 1.125 86 A HN 0.906 nan 8.150 nan 0.000 0.517 87 L N 1.531 122.735 121.223 -0.032 0.000 2.127 87 L HA 0.215 4.554 4.340 -0.001 0.000 0.203 87 L C 0.309 177.220 176.870 0.068 0.000 1.080 87 L CA 0.890 55.696 54.840 -0.057 0.000 0.768 87 L CB -0.086 41.826 42.059 -0.245 0.000 0.924 87 L HN 0.707 nan 8.230 nan 0.000 0.444 88 F N -0.160 119.725 119.950 -0.109 0.000 2.578 88 F HA 0.681 5.208 4.527 -0.001 0.000 0.311 88 F C -0.232 175.517 175.800 -0.084 0.000 1.094 88 F CA -0.877 57.084 58.000 -0.066 0.000 0.923 88 F CB 1.847 40.844 39.000 -0.005 0.000 1.230 88 F HN -0.211 nan 8.300 nan 0.000 0.450 89 G N 5.544 113.845 108.800 -0.832 0.000 2.682 89 G HA2 0.621 4.581 3.960 -0.001 0.000 0.300 89 G HA3 0.621 4.581 3.960 -0.001 0.000 0.300 89 G C -2.345 172.145 174.900 -0.683 0.000 1.391 89 G CA -0.806 43.928 45.100 -0.610 0.000 0.990 89 G HN 0.720 nan 8.290 nan 0.000 0.501 90 L N 2.285 123.340 121.223 -0.279 0.000 2.343 90 L HA 0.648 4.988 4.340 -0.001 0.000 0.278 90 L C 0.133 177.023 176.870 0.033 0.000 0.996 90 L CA -0.757 54.026 54.840 -0.094 0.000 0.831 90 L CB 1.922 44.031 42.059 0.084 0.000 1.232 90 L HN 0.676 nan 8.230 nan 0.000 0.413 91 S N 0.987 116.683 115.700 -0.007 0.000 2.599 91 S HA 0.461 4.931 4.470 -0.001 0.000 0.287 91 S C -0.861 173.747 174.600 0.014 0.000 1.105 91 S CA -0.954 57.274 58.200 0.047 0.000 0.899 91 S CB 2.201 65.401 63.200 0.000 0.000 1.100 91 S HN 0.513 nan 8.310 nan 0.000 0.482 92 N N 1.371 120.091 118.700 0.033 0.000 2.415 92 N HA 0.175 4.914 4.740 -0.001 0.000 0.246 92 N C 0.832 176.358 175.510 0.026 0.000 1.078 92 N CA -0.084 52.959 53.050 -0.013 0.000 0.942 92 N CB 1.064 39.517 38.487 -0.057 0.000 1.140 92 N HN 0.746 nan 8.380 nan 0.000 0.501 93 S N 2.088 117.787 115.700 -0.001 0.000 2.575 93 S HA 0.145 4.615 4.470 -0.001 0.000 0.215 93 S C 0.489 175.110 174.600 0.035 0.000 0.966 93 S CA -0.052 58.151 58.200 0.004 0.000 0.911 93 S CB 0.049 63.239 63.200 -0.017 0.000 0.780 93 S HN 0.415 nan 8.310 nan 0.000 0.514 94 K N 1.787 122.226 120.400 0.066 0.000 2.185 94 K HA 0.558 4.877 4.320 -0.001 0.000 0.271 94 K C 0.197 176.913 176.600 0.193 0.000 1.013 94 K CA -0.149 56.206 56.287 0.114 0.000 0.943 94 K CB 0.761 33.321 32.500 0.099 0.000 0.998 94 K HN 0.306 nan 8.250 nan 0.000 0.468 95 A N 1.235 124.134 122.820 0.131 0.000 2.567 95 A HA 0.296 4.616 4.320 -0.001 0.000 0.240 95 A C 1.218 178.849 177.584 0.078 0.000 1.053 95 A CA 1.020 53.106 52.037 0.082 0.000 0.755 95 A CB -0.820 18.206 19.000 0.044 0.000 0.978 95 A HN 0.954 nan 8.150 nan 0.000 0.507 96 G N 0.724 109.491 108.800 -0.055 0.000 2.175 96 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.244 96 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.244 96 G C 0.058 174.607 174.900 -0.585 0.000 0.982 96 G CA 0.516 45.430 45.100 -0.311 0.000 0.641 96 G HN 0.961 nan 8.290 nan 0.000 0.527 97 F N 0.997 120.936 119.950 -0.018 0.000 2.841 97 F HA 0.299 4.825 4.527 -0.001 0.000 0.358 97 F C 1.718 177.516 175.800 -0.003 0.000 1.261 97 F CA -0.013 57.979 58.000 -0.013 0.000 1.233 97 F CB 0.557 39.551 39.000 -0.009 0.000 1.008 97 F HN 0.225 nan 8.300 nan 0.000 0.507 98 K N -0.964 119.480 120.400 0.074 0.000 2.360 98 K HA -0.059 4.261 4.320 -0.001 0.000 0.201 98 K C 0.226 176.906 176.600 0.134 0.000 1.046 98 K CA 1.338 57.647 56.287 0.037 0.000 0.945 98 K CB -0.018 32.453 32.500 -0.047 0.000 0.750 98 K HN 0.125 nan 8.250 nan 0.000 0.464 99 N N 1.225 119.995 118.700 0.117 0.000 2.321 99 N HA 0.071 4.811 4.740 -0.001 0.000 0.242 99 N C -1.009 174.492 175.510 -0.014 0.000 1.141 99 N CA -0.076 53.021 53.050 0.078 0.000 0.864 99 N CB 0.609 39.084 38.487 -0.021 0.000 1.100 99 N HN 0.169 nan 8.380 nan 0.000 0.510 100 N N 1.211 119.984 118.700 0.122 0.000 2.936 100 N HA 0.181 4.921 4.740 -0.001 0.000 0.243 100 N C -1.260 174.334 175.510 0.140 0.000 1.149 100 N CA -0.393 52.700 53.050 0.071 0.000 0.914 100 N CB 0.170 38.739 38.487 0.137 0.000 1.179 100 N HN 0.240 nan 8.380 nan 0.000 0.502 101 Y N -0.963 119.337 120.300 -0.000 0.000 2.624 101 Y HA 0.634 5.184 4.550 -0.001 0.000 0.334 101 Y C -1.809 174.132 175.900 0.068 0.000 1.155 101 Y CA -1.779 56.326 58.100 0.009 0.000 1.046 101 Y CB 0.783 39.221 38.460 -0.037 0.000 1.316 101 Y HN 0.062 nan 8.280 nan 0.000 0.457 102 F N 2.846 122.875 119.950 0.132 0.000 2.469 102 F HA 0.821 5.348 4.527 -0.001 0.000 0.332 102 F C -0.806 175.089 175.800 0.159 0.000 1.103 102 F CA -0.384 57.673 58.000 0.096 0.000 0.979 102 F CB 1.838 40.892 39.000 0.090 0.000 1.137 102 F HN 0.817 nan 8.300 nan 0.000 0.463 103 S N 6.065 121.302 115.700 -0.771 0.000 2.540 103 S HA 0.704 5.174 4.470 -0.001 0.000 0.275 103 S C -1.244 172.897 174.600 -0.765 0.000 1.123 103 S CA -0.841 56.994 58.200 -0.609 0.000 0.907 103 S CB 1.360 64.482 63.200 -0.130 0.000 1.081 103 S HN 0.633 nan 8.310 nan 0.000 0.476 104 I N 3.776 124.065 120.570 -0.469 0.000 2.330 104 I HA 0.498 4.667 4.170 -0.001 0.000 0.289 104 I C -0.620 175.414 176.117 -0.137 0.000 1.001 104 I CA -0.712 60.404 61.300 -0.306 0.000 1.193 104 I CB 0.685 38.587 38.000 -0.163 0.000 1.345 104 I HN 0.760 nan 8.210 nan 0.000 0.461 105 F N 6.054 125.882 119.950 -0.202 0.000 2.598 105 F HA 0.909 5.436 4.527 -0.001 0.000 0.327 105 F C -0.576 175.172 175.800 -0.087 0.000 1.057 105 F CA -1.245 56.655 58.000 -0.167 0.000 0.957 105 F CB 1.585 40.444 39.000 -0.235 0.000 1.278 105 F HN 0.349 nan 8.300 nan 0.000 0.484 106 M N 0.920 120.604 119.600 0.141 0.000 2.575 106 M HA 0.687 5.167 4.480 -0.001 0.000 0.284 106 M C -1.632 174.811 176.300 0.239 0.000 1.253 106 M CA -0.875 54.497 55.300 0.119 0.000 0.861 106 M CB 2.881 35.548 32.600 0.112 0.000 1.733 106 M HN 0.734 nan 8.290 nan 0.000 0.462 107 R N 0.512 121.136 120.500 0.206 0.000 2.787 107 R HA 0.338 4.678 4.340 -0.001 0.000 0.271 107 R C -0.121 176.304 176.300 0.209 0.000 0.993 107 R CA -0.709 55.506 56.100 0.190 0.000 0.993 107 R CB 1.171 31.571 30.300 0.166 0.000 1.155 107 R HN 0.897 nan 8.270 nan 0.000 0.486 108 D N -0.132 120.392 120.400 0.208 0.000 2.378 108 D HA -0.121 4.518 4.640 -0.001 0.000 0.227 108 D C 0.973 177.487 176.300 0.358 0.000 1.012 108 D CA 0.612 54.779 54.000 0.280 0.000 0.905 108 D CB -0.007 40.896 40.800 0.172 0.000 0.895 108 D HN 0.422 nan 8.370 nan 0.000 0.532 109 S N -1.447 114.381 115.700 0.214 0.000 2.527 109 S HA 0.302 4.771 4.470 -0.001 0.000 0.222 109 S C 1.886 176.403 174.600 -0.139 0.000 0.985 109 S CA 0.261 58.537 58.200 0.126 0.000 0.921 109 S CB -0.244 63.001 63.200 0.076 0.000 0.772 109 S HN 0.570 nan 8.310 nan 0.000 0.529 110 G N 0.960 109.601 108.800 -0.265 0.000 2.176 110 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.232 110 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.232 110 G C -0.184 174.567 174.900 -0.249 0.000 0.986 110 G CA 0.102 44.766 45.100 -0.727 0.000 0.643 110 G HN 0.722 nan 8.290 nan 0.000 0.522 111 E N 0.118 120.270 120.200 -0.080 0.000 2.392 111 E HA 0.473 4.823 4.350 -0.001 0.000 0.264 111 E C -0.334 176.255 176.600 -0.018 0.000 1.024 111 E CA -0.461 55.932 56.400 -0.012 0.000 0.903 111 E CB 0.449 30.181 29.700 0.054 0.000 0.963 111 E HN 0.325 nan 8.360 nan 0.000 0.432 112 I N 2.901 123.442 120.570 -0.049 0.000 2.646 112 I HA 0.685 4.854 4.170 -0.001 0.000 0.299 112 I C -0.170 175.765 176.117 -0.302 0.000 1.036 112 I CA -0.051 61.157 61.300 -0.154 0.000 1.074 112 I CB 1.999 39.989 38.000 -0.015 0.000 1.258 112 I HN 0.598 nan 8.210 nan 0.000 0.430 113 G N 4.720 113.041 108.800 -0.800 0.000 2.550 113 G HA2 0.615 4.574 3.960 -0.001 0.000 0.293 113 G HA3 0.615 4.574 3.960 -0.001 0.000 0.293 113 G C -1.829 172.589 174.900 -0.804 0.000 1.402 113 G CA -0.088 44.537 45.100 -0.791 0.000 0.784 113 G HN 1.061 nan 8.290 nan 0.000 0.482 114 V N -2.871 116.887 119.914 -0.261 0.000 2.876 114 V HA 0.880 5.000 4.120 -0.001 0.000 0.312 114 V C -0.846 175.287 176.094 0.065 0.000 1.085 114 V CA -1.041 61.178 62.300 -0.136 0.000 0.945 114 V CB 1.967 33.652 31.823 -0.229 0.000 1.017 114 V HN 0.792 nan 8.190 nan 0.000 0.428 115 E N 2.897 123.094 120.200 -0.006 0.000 2.199 115 E HA 0.701 5.051 4.350 -0.001 0.000 0.269 115 E C -1.596 174.952 176.600 -0.086 0.000 0.899 115 E CA -0.698 55.644 56.400 -0.098 0.000 0.772 115 E CB 2.641 32.270 29.700 -0.119 0.000 1.155 115 E HN 0.720 nan 8.360 nan 0.000 0.408 116 I N 2.528 123.031 120.570 -0.110 0.000 2.476 116 I HA 0.353 4.523 4.170 -0.001 0.000 0.281 116 I C -0.513 175.467 176.117 -0.228 0.000 1.040 116 I CA -0.399 60.884 61.300 -0.028 0.000 1.094 116 I CB 1.261 39.301 38.000 0.068 0.000 1.219 116 I HN 0.210 nan 8.210 nan 0.000 0.450 117 R N 3.845 124.162 120.500 -0.305 0.000 2.628 117 R HA 0.641 4.980 4.340 -0.001 0.000 0.288 117 R C -1.461 174.694 176.300 -0.242 0.000 0.980 117 R CA -0.901 54.975 56.100 -0.373 0.000 0.891 117 R CB 2.692 32.639 30.300 -0.587 0.000 1.188 117 R HN 0.461 nan 8.270 nan 0.000 0.450 118 D N 1.600 121.883 120.400 -0.195 0.000 2.478 118 D HA 0.199 4.839 4.640 -0.001 0.000 0.240 118 D C 0.242 176.494 176.300 -0.081 0.000 1.364 118 D CA -0.284 53.657 54.000 -0.099 0.000 0.987 118 D CB 1.955 42.709 40.800 -0.077 0.000 1.328 118 D HN 0.593 nan 8.370 nan 0.000 0.584 119 A N 3.394 126.195 122.820 -0.032 0.000 1.972 119 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 119 A C 1.773 179.348 177.584 -0.016 0.000 1.169 119 A CA 1.516 53.533 52.037 -0.033 0.000 0.635 119 A CB -0.054 18.934 19.000 -0.020 0.000 0.810 119 A HN 0.518 nan 8.150 nan 0.000 0.446 120 Q N 0.057 119.873 119.800 0.026 0.000 2.046 120 Q HA -0.054 4.285 4.340 -0.001 0.000 0.200 120 Q C 1.862 177.861 176.000 -0.002 0.000 0.975 120 Q CA 1.787 57.607 55.803 0.029 0.000 0.836 120 Q CB -0.251 28.527 28.738 0.067 0.000 0.896 120 Q HN 0.681 nan 8.270 nan 0.000 0.428 121 K N -0.749 119.640 120.400 -0.018 0.000 2.439 121 K HA 0.083 4.402 4.320 -0.001 0.000 0.197 121 K C 0.668 177.233 176.600 -0.057 0.000 1.041 121 K CA 0.576 56.843 56.287 -0.032 0.000 0.970 121 K CB 0.023 32.498 32.500 -0.042 0.000 0.773 121 K HN 0.372 nan 8.250 nan 0.000 0.479 122 G N 2.058 110.814 108.800 -0.073 0.000 2.221 122 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.265 122 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.265 122 G C -0.045 174.763 174.900 -0.153 0.000 1.041 122 G CA -0.006 45.039 45.100 -0.092 0.000 0.807 122 G HN 0.254 nan 8.290 nan 0.000 0.502 123 I N 0.452 120.888 120.570 -0.224 0.000 2.377 123 I HA 0.362 4.532 4.170 -0.001 0.000 0.293 123 I C -0.295 175.553 176.117 -0.448 0.000 0.987 123 I CA -0.803 60.245 61.300 -0.420 0.000 1.185 123 I CB 1.546 39.236 38.000 -0.516 0.000 1.341 123 I HN 0.008 nan 8.210 nan 0.000 0.455 124 N N 6.351 124.752 118.700 -0.499 0.000 2.725 124 N HA 0.200 4.940 4.740 -0.001 0.000 0.248 124 N C -1.446 173.852 175.510 -0.352 0.000 1.402 124 N CA -0.485 52.334 53.050 -0.385 0.000 0.766 124 N CB 0.992 39.328 38.487 -0.251 0.000 1.223 124 N HN 0.348 nan 8.380 nan 0.000 0.515 125 Y N 0.936 121.039 120.300 -0.330 0.000 2.319 125 Y HA 0.359 4.908 4.550 -0.001 0.000 0.328 125 Y C 0.392 175.875 175.900 -0.694 0.000 1.133 125 Y CA -0.711 57.033 58.100 -0.593 0.000 1.265 125 Y CB 0.910 38.999 38.460 -0.618 0.000 1.218 125 Y HN 0.247 nan 8.280 nan 0.000 0.508 126 L N 5.918 126.730 121.223 -0.686 0.000 2.404 126 L HA 0.557 4.897 4.340 -0.001 0.000 0.272 126 L C -2.023 174.430 176.870 -0.695 0.000 0.980 126 L CA -1.062 53.484 54.840 -0.490 0.000 0.836 126 L CB 0.342 42.253 42.059 -0.247 0.000 1.238 126 L HN 0.394 nan 8.230 nan 0.000 0.408 127 F N 2.950 122.769 119.950 -0.218 0.000 2.540 127 F HA 0.781 5.308 4.527 -0.001 0.000 0.317 127 F C 0.345 175.713 175.800 -0.720 0.000 1.104 127 F CA -0.473 57.174 58.000 -0.589 0.000 0.913 127 F CB 2.315 40.760 39.000 -0.925 0.000 1.170 127 F HN 0.522 nan 8.300 nan 0.000 0.450 128 S N 2.617 118.056 115.700 -0.433 0.000 2.588 128 S HA 0.785 5.254 4.470 -0.001 0.000 0.269 128 S C -1.539 173.097 174.600 0.060 0.000 1.157 128 S CA -1.107 57.013 58.200 -0.134 0.000 0.824 128 S CB 2.730 65.935 63.200 0.009 0.000 1.126 128 S HN 0.788 nan 8.310 nan 0.000 0.464 129 R N 0.782 121.393 120.500 0.184 0.000 2.533 129 R HA 0.530 4.870 4.340 -0.001 0.000 0.288 129 R C -3.200 173.146 176.300 0.076 0.000 1.039 129 R CA -1.984 54.205 56.100 0.148 0.000 0.909 129 R CB 1.998 32.424 30.300 0.210 0.000 1.195 129 R HN 0.463 nan 8.270 nan 0.000 0.438 130 P HA -0.040 nan 4.420 nan 0.000 0.269 130 P C -0.728 176.566 177.300 -0.011 0.000 1.211 130 P CA 0.583 63.697 63.100 0.024 0.000 0.781 130 P CB 0.563 32.288 31.700 0.041 0.000 0.877 131 A N 1.185 123.967 122.820 -0.063 0.000 2.519 131 A HA -0.180 4.140 4.320 -0.001 0.000 0.297 131 A C 1.165 178.679 177.584 -0.116 0.000 1.472 131 A CA 1.181 53.149 52.037 -0.115 0.000 0.739 131 A CB -2.453 16.546 19.000 -0.003 0.000 1.096 131 A HN 0.391 nan 8.150 nan 0.000 0.414 132 S N -1.372 114.262 115.700 -0.109 0.000 2.540 132 S HA 0.444 4.913 4.470 -0.001 0.000 0.222 132 S C 0.545 175.151 174.600 0.009 0.000 1.008 132 S CA 0.442 58.625 58.200 -0.028 0.000 0.939 132 S CB 0.114 63.329 63.200 0.024 0.000 0.865 132 S HN 0.621 nan 8.310 nan 0.000 0.499 133 L N -0.042 121.133 121.223 -0.080 0.000 2.323 133 L HA 0.603 4.942 4.340 -0.001 0.000 0.265 133 L C -1.289 175.625 176.870 0.073 0.000 1.012 133 L CA -0.880 53.998 54.840 0.063 0.000 0.820 133 L CB 1.438 43.575 42.059 0.129 0.000 1.334 133 L HN 0.216 nan 8.230 nan 0.000 0.427 134 W N -0.178 121.245 121.300 0.205 0.000 2.570 134 W HA 0.575 5.235 4.660 -0.001 0.000 0.337 134 W C 0.844 177.580 176.519 0.363 0.000 1.067 134 W CA -0.077 57.455 57.345 0.313 0.000 1.229 134 W CB 1.819 31.412 29.460 0.222 0.000 1.355 134 W HN 0.591 nan 8.180 nan 0.000 0.555 135 G N 1.320 110.415 108.800 0.493 0.000 2.729 135 G HA2 0.160 4.120 3.960 -0.001 0.000 0.211 135 G HA3 0.160 4.120 3.960 -0.001 0.000 0.211 135 G C -0.198 174.820 174.900 0.196 0.000 1.182 135 G CA 0.113 45.309 45.100 0.159 0.000 0.851 135 G HN 0.263 nan 8.290 nan 0.000 0.607 136 K N -0.480 120.068 120.400 0.247 0.000 2.477 136 K HA 0.534 4.854 4.320 -0.001 0.000 0.255 136 K C -2.042 174.821 176.600 0.438 0.000 0.952 136 K CA -0.763 55.669 56.287 0.243 0.000 0.826 136 K CB 2.522 35.074 32.500 0.087 0.000 1.331 136 K HN 0.310 nan 8.250 nan 0.000 0.437 137 H N 1.631 120.838 119.070 0.228 0.000 3.017 137 H HA 0.217 4.772 4.556 -0.001 0.000 0.340 137 H C -1.266 174.174 175.328 0.187 0.000 1.014 137 H CA -0.565 55.630 56.048 0.245 0.000 1.341 137 H CB 0.779 30.613 29.762 0.120 0.000 1.739 137 H HN 0.578 nan 8.280 nan 0.000 0.506 138 K N 3.877 124.222 120.400 -0.091 0.000 3.077 138 K HA -0.216 4.104 4.320 -0.001 0.000 0.264 138 K C 0.840 177.462 176.600 0.037 0.000 1.008 138 K CA 0.968 57.226 56.287 -0.049 0.000 0.740 138 K CB -1.621 30.711 32.500 -0.280 0.000 1.273 138 K HN 1.205 nan 8.250 nan 0.000 0.477 139 G N -0.416 108.428 108.800 0.074 0.000 2.184 139 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.264 139 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.264 139 G C -0.120 174.803 174.900 0.039 0.000 0.975 139 G CA 0.736 45.862 45.100 0.043 0.000 0.642 139 G HN 0.423 nan 8.290 nan 0.000 0.536 140 Q N -0.249 119.586 119.800 0.058 0.000 2.365 140 Q HA 0.670 5.009 4.340 -0.001 0.000 0.269 140 Q C 0.265 176.319 176.000 0.091 0.000 1.061 140 Q CA -0.278 55.563 55.803 0.062 0.000 0.816 140 Q CB 2.022 30.793 28.738 0.056 0.000 1.325 140 Q HN 0.741 nan 8.270 nan 0.000 0.446 141 A N 2.016 124.882 122.820 0.077 0.000 2.546 141 A HA 0.199 4.519 4.320 -0.001 0.000 0.243 141 A C 0.012 177.655 177.584 0.097 0.000 1.063 141 A CA -0.158 51.933 52.037 0.089 0.000 0.757 141 A CB 0.117 19.161 19.000 0.074 0.000 0.991 141 A HN 0.482 nan 8.150 nan 0.000 0.503 142 V N 3.165 123.156 119.914 0.128 0.000 2.530 142 V HA 0.111 4.230 4.120 -0.001 0.000 0.282 142 V C 0.805 176.914 176.094 0.024 0.000 1.048 142 V CA -0.212 62.150 62.300 0.104 0.000 0.997 142 V CB 1.189 33.130 31.823 0.197 0.000 0.987 142 V HN 0.973 nan 8.190 nan 0.000 0.477 143 E N 5.402 125.598 120.200 -0.006 0.000 2.003 143 E HA 0.112 4.461 4.350 -0.001 0.000 0.279 143 E C -0.143 176.403 176.600 -0.090 0.000 1.132 143 E CA -0.401 55.968 56.400 -0.052 0.000 0.888 143 E CB 0.210 29.903 29.700 -0.011 0.000 1.056 143 E HN 0.679 nan 8.360 nan 0.000 0.399 144 N N 3.081 121.633 118.700 -0.247 0.000 2.530 144 N HA 0.102 4.841 4.740 -0.001 0.000 0.273 144 N C -0.810 174.649 175.510 -0.084 0.000 1.173 144 N CA 0.201 53.121 53.050 -0.216 0.000 0.967 144 N CB 1.498 39.681 38.487 -0.506 0.000 1.109 144 N HN 0.333 nan 8.380 nan 0.000 0.453 145 T N 2.113 116.699 114.554 0.052 0.000 2.788 145 T HA 0.318 4.667 4.350 -0.001 0.000 0.296 145 T C 0.139 174.954 174.700 0.192 0.000 1.009 145 T CA -0.496 61.675 62.100 0.120 0.000 0.949 145 T CB 0.622 69.535 68.868 0.076 0.000 0.946 145 T HN 0.270 nan 8.240 nan 0.000 0.453 146 L N 4.720 126.105 121.223 0.270 0.000 2.295 146 L HA 0.777 5.116 4.340 -0.001 0.000 0.285 146 L C -1.158 175.865 176.870 0.255 0.000 1.035 146 L CA -0.635 54.380 54.840 0.292 0.000 0.806 146 L CB 0.883 43.164 42.059 0.369 0.000 1.214 146 L HN 0.358 nan 8.230 nan 0.000 0.426 147 V N 5.568 125.646 119.914 0.274 0.000 2.447 147 V HA 0.341 4.461 4.120 -0.001 0.000 0.292 147 V C -0.942 175.388 176.094 0.394 0.000 1.021 147 V CA -0.430 62.038 62.300 0.281 0.000 0.850 147 V CB 1.358 33.280 31.823 0.165 0.000 1.005 147 V HN 0.566 nan 8.190 nan 0.000 0.426 148 F N 6.036 126.106 119.950 0.200 0.000 2.426 148 F HA 0.750 5.277 4.527 -0.001 0.000 0.348 148 F C -0.417 175.511 175.800 0.215 0.000 1.124 148 F CA -0.761 57.359 58.000 0.201 0.000 1.008 148 F CB 1.631 40.784 39.000 0.255 0.000 1.139 148 F HN 0.264 nan 8.300 nan 0.000 0.452 149 V N 5.139 124.800 119.914 -0.421 0.000 2.347 149 V HA 0.355 4.474 4.120 -0.001 0.000 0.280 149 V C -0.187 175.575 176.094 -0.553 0.000 1.021 149 V CA -0.665 61.433 62.300 -0.336 0.000 0.847 149 V CB 1.193 32.961 31.823 -0.092 0.000 0.990 149 V HN 0.785 nan 8.190 nan 0.000 0.444 150 S N 3.475 118.970 115.700 -0.342 0.000 2.474 150 S HA 0.306 4.775 4.470 -0.001 0.000 0.320 150 S C -0.678 173.932 174.600 0.017 0.000 1.067 150 S CA -0.568 57.597 58.200 -0.058 0.000 1.127 150 S CB 0.228 63.530 63.200 0.170 0.000 0.971 150 S HN 0.807 nan 8.310 nan 0.000 0.472 151 D N 3.199 123.511 120.400 -0.148 0.000 2.427 151 D HA 0.288 4.927 4.640 -0.001 0.000 0.226 151 D C 1.291 177.117 176.300 -0.791 0.000 1.076 151 D CA -0.370 53.439 54.000 -0.317 0.000 0.849 151 D CB 1.509 42.150 40.800 -0.264 0.000 1.052 151 D HN 0.496 nan 8.370 nan 0.000 0.515 152 S N 3.603 118.819 115.700 -0.806 0.000 2.406 152 S HA -0.112 4.358 4.470 -0.001 0.000 0.228 152 S C 1.577 175.750 174.600 -0.712 0.000 1.020 152 S CA 0.560 58.029 58.200 -1.219 0.000 0.965 152 S CB 0.027 62.935 63.200 -0.486 0.000 0.798 152 S HN 0.414 nan 8.310 nan 0.000 0.488 153 K N 1.162 121.310 120.400 -0.421 0.000 2.026 153 K HA -0.042 4.277 4.320 -0.001 0.000 0.208 153 K C 1.073 177.511 176.600 -0.269 0.000 1.048 153 K CA 1.557 57.682 56.287 -0.269 0.000 0.929 153 K CB -0.225 32.167 32.500 -0.180 0.000 0.713 153 K HN 0.393 nan 8.250 nan 0.000 0.439 154 D N 0.401 120.618 120.400 -0.306 0.000 2.339 154 D HA 0.025 4.664 4.640 -0.001 0.000 0.217 154 D C -0.322 175.807 176.300 -0.286 0.000 1.050 154 D CA 0.225 54.078 54.000 -0.244 0.000 0.856 154 D CB 0.358 41.041 40.800 -0.195 0.000 0.922 154 D HN 0.066 nan 8.370 nan 0.000 0.518 155 K N 0.273 120.386 120.400 -0.479 0.000 3.077 155 K HA -0.130 4.189 4.320 -0.001 0.000 0.264 155 K C -0.568 175.888 176.600 -0.240 0.000 1.008 155 K CA 0.539 56.570 56.287 -0.427 0.000 0.740 155 K CB -1.884 30.543 32.500 -0.121 0.000 1.273 155 K HN 0.077 nan 8.250 nan 0.000 0.477 156 T N 0.314 114.656 114.554 -0.353 0.000 2.886 156 T HA 0.505 4.855 4.350 -0.001 0.000 0.292 156 T C -1.004 173.510 174.700 -0.309 0.000 1.012 156 T CA -0.643 61.294 62.100 -0.272 0.000 0.982 156 T CB 0.771 69.520 68.868 -0.199 0.000 1.018 156 T HN 0.107 nan 8.240 nan 0.000 0.451 157 Y N 1.350 121.652 120.300 0.005 0.000 2.328 157 Y HA 0.548 5.097 4.550 -0.001 0.000 0.337 157 Y C 0.752 176.647 175.900 -0.007 0.000 0.966 157 Y CA -0.799 57.314 58.100 0.022 0.000 1.136 157 Y CB 1.514 40.159 38.460 0.308 0.000 1.170 157 Y HN 0.487 nan 8.280 nan 0.000 0.470 158 T N 4.473 118.994 114.554 -0.055 0.000 2.848 158 T HA 0.532 4.881 4.350 -0.001 0.000 0.285 158 T C -0.902 173.626 174.700 -0.286 0.000 0.995 158 T CA -0.695 61.279 62.100 -0.210 0.000 0.970 158 T CB 1.323 70.023 68.868 -0.279 0.000 0.976 158 T HN 0.507 nan 8.240 nan 0.000 0.441 159 M N 3.570 122.785 119.600 -0.641 0.000 2.321 159 M HA 0.610 5.090 4.480 -0.001 0.000 0.315 159 M C -2.159 173.793 176.300 -0.580 0.000 1.052 159 M CA -0.632 54.356 55.300 -0.520 0.000 0.936 159 M CB 0.988 32.944 32.600 -1.073 0.000 1.639 159 M HN 0.601 nan 8.290 nan 0.000 0.433 160 Y N 3.610 123.865 120.300 -0.074 0.000 2.409 160 Y HA 0.769 5.319 4.550 -0.001 0.000 0.343 160 Y C -0.776 175.149 175.900 0.041 0.000 0.973 160 Y CA -1.037 57.051 58.100 -0.019 0.000 1.064 160 Y CB 1.818 40.282 38.460 0.005 0.000 1.207 160 Y HN 0.428 nan 8.280 nan 0.000 0.452 161 V N 3.149 123.187 119.914 0.207 0.000 2.525 161 V HA 0.290 4.409 4.120 -0.001 0.000 0.299 161 V C -0.477 175.759 176.094 0.236 0.000 1.034 161 V CA -1.406 61.021 62.300 0.212 0.000 0.863 161 V CB 1.482 33.418 31.823 0.189 0.000 0.999 161 V HN 0.950 nan 8.190 nan 0.000 0.423 162 N N 3.651 122.482 118.700 0.218 0.000 2.735 162 N HA -0.210 4.529 4.740 -0.001 0.000 0.248 162 N C 1.147 176.770 175.510 0.189 0.000 1.083 162 N CA 1.710 54.890 53.050 0.217 0.000 0.703 162 N CB -1.152 37.574 38.487 0.399 0.000 1.005 162 N HN 1.651 nan 8.380 nan 0.000 0.550 163 G N -1.367 107.522 108.800 0.148 0.000 2.176 163 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.253 163 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.253 163 G C 0.062 175.074 174.900 0.187 0.000 0.979 163 G CA 0.371 45.535 45.100 0.106 0.000 0.641 163 G HN 0.480 nan 8.290 nan 0.000 0.530 164 I N 1.293 122.008 120.570 0.241 0.000 2.354 164 I HA 0.310 4.480 4.170 -0.001 0.000 0.292 164 I C 0.553 176.793 176.117 0.205 0.000 0.989 164 I CA -0.676 60.756 61.300 0.220 0.000 1.188 164 I CB 1.705 39.817 38.000 0.187 0.000 1.342 164 I HN 0.177 nan 8.210 nan 0.000 0.457 165 E N 5.582 125.882 120.200 0.168 0.000 2.328 165 E HA 0.057 4.407 4.350 -0.001 0.000 0.265 165 E C 0.705 177.258 176.600 -0.080 0.000 1.057 165 E CA -0.202 56.127 56.400 -0.117 0.000 0.916 165 E CB 0.979 30.584 29.700 -0.158 0.000 0.993 165 E HN 0.619 nan 8.360 nan 0.000 0.446 166 V N 2.833 122.650 119.914 -0.161 0.000 3.431 166 V HA 0.274 4.393 4.120 -0.001 0.000 0.253 166 V C 0.072 176.205 176.094 0.065 0.000 1.184 166 V CA 0.226 62.503 62.300 -0.039 0.000 1.104 166 V CB -0.638 31.179 31.823 -0.010 0.000 0.799 166 V HN 0.493 nan 8.190 nan 0.000 0.462 167 F N -1.671 118.238 119.950 -0.068 0.000 2.703 167 F HA 0.832 5.359 4.527 -0.001 0.000 0.308 167 F C -0.956 174.748 175.800 -0.161 0.000 1.126 167 F CA -0.913 57.039 58.000 -0.080 0.000 0.959 167 F CB 1.228 40.214 39.000 -0.024 0.000 1.297 167 F HN -0.191 nan 8.300 nan 0.000 0.441 168 S N 1.415 117.169 115.700 0.091 0.000 2.750 168 S HA 0.494 4.964 4.470 -0.001 0.000 0.276 168 S C -1.826 172.716 174.600 -0.096 0.000 1.165 168 S CA -0.409 57.764 58.200 -0.046 0.000 1.047 168 S CB 0.744 63.836 63.200 -0.181 0.000 1.056 168 S HN 0.636 nan 8.310 nan 0.000 0.481 169 E N 3.074 123.185 120.200 -0.148 0.000 2.185 169 E HA 0.341 4.690 4.350 -0.001 0.000 0.261 169 E C -0.827 175.614 176.600 -0.265 0.000 0.879 169 E CA -0.489 55.693 56.400 -0.365 0.000 0.756 169 E CB 1.944 31.003 29.700 -1.069 0.000 1.152 169 E HN 0.532 nan 8.360 nan 0.000 0.416 170 T N 1.824 116.266 114.554 -0.187 0.000 2.799 170 T HA 0.423 4.773 4.350 -0.001 0.000 0.286 170 T C 0.331 174.984 174.700 -0.078 0.000 0.973 170 T CA -0.632 61.394 62.100 -0.124 0.000 1.035 170 T CB 1.017 69.823 68.868 -0.104 0.000 0.932 170 T HN 0.300 nan 8.240 nan 0.000 0.469 171 V N 0.554 120.453 119.914 -0.026 0.000 2.815 171 V HA 0.564 4.684 4.120 -0.001 0.000 0.314 171 V C 0.539 176.686 176.094 0.088 0.000 1.064 171 V CA -1.026 61.289 62.300 0.026 0.000 0.952 171 V CB 1.823 33.625 31.823 -0.035 0.000 1.020 171 V HN 0.768 nan 8.190 nan 0.000 0.439 172 D N 1.394 121.862 120.400 0.114 0.000 2.162 172 D HA -0.007 4.632 4.640 -0.001 0.000 0.203 172 D C 0.729 177.123 176.300 0.157 0.000 0.967 172 D CA 1.126 55.192 54.000 0.110 0.000 0.840 172 D CB -0.334 40.518 40.800 0.087 0.000 0.972 172 D HN 0.625 nan 8.370 nan 0.000 0.482 173 T N 0.489 115.182 114.554 0.231 0.000 2.853 173 T HA 0.260 4.609 4.350 -0.001 0.000 0.317 173 T C -0.757 174.171 174.700 0.381 0.000 1.059 173 T CA -0.687 61.569 62.100 0.260 0.000 0.954 173 T CB 0.151 69.144 68.868 0.209 0.000 0.994 173 T HN 0.026 nan 8.240 nan 0.000 0.479 174 F N 4.092 124.147 119.950 0.175 0.000 2.484 174 F HA 0.473 5.000 4.527 -0.001 0.000 0.360 174 F C -0.228 175.729 175.800 0.263 0.000 1.101 174 F CA -1.278 56.837 58.000 0.192 0.000 1.251 174 F CB 0.566 39.585 39.000 0.031 0.000 1.132 174 F HN 0.317 nan 8.300 nan 0.000 0.570 175 L N 9.148 130.187 121.223 -0.307 0.000 2.324 175 L HA 0.547 4.887 4.340 -0.001 0.000 0.274 175 L C -2.593 174.014 176.870 -0.438 0.000 1.012 175 L CA -2.635 52.095 54.840 -0.184 0.000 0.859 175 L CB 0.608 42.668 42.059 0.002 0.000 1.224 175 L HN 0.353 nan 8.230 nan 0.000 0.429 176 P HA 0.101 nan 4.420 nan 0.000 0.265 176 P C 1.285 178.585 177.300 0.001 0.000 1.193 176 P CA 0.118 63.234 63.100 0.026 0.000 0.765 176 P CB 0.519 32.336 31.700 0.196 0.000 0.823 177 I N 1.071 121.637 120.570 -0.005 0.000 2.454 177 I HA -0.180 3.990 4.170 -0.001 0.000 0.254 177 I C 1.333 177.434 176.117 -0.027 0.000 1.156 177 I CA 1.954 63.186 61.300 -0.114 0.000 1.433 177 I CB -0.619 37.078 38.000 -0.503 0.000 1.082 177 I HN 0.225 nan 8.210 nan 0.000 0.432 178 S N -0.257 115.453 115.700 0.016 0.000 2.577 178 S HA 0.189 4.658 4.470 -0.001 0.000 0.219 178 S C 1.002 175.622 174.600 0.032 0.000 0.962 178 S CA -0.281 57.941 58.200 0.036 0.000 0.921 178 S CB -0.497 62.733 63.200 0.049 0.000 0.789 178 S HN 0.413 nan 8.310 nan 0.000 0.497 179 N N 1.309 120.029 118.700 0.033 0.000 2.280 179 N HA 0.381 5.121 4.740 -0.001 0.000 0.192 179 N C -0.223 175.293 175.510 0.011 0.000 1.109 179 N CA -0.134 52.933 53.050 0.029 0.000 0.855 179 N CB -0.112 38.405 38.487 0.049 0.000 0.974 179 N HN 0.502 nan 8.380 nan 0.000 0.482 180 I N 1.212 121.786 120.570 0.007 0.000 2.683 180 I HA -0.102 4.068 4.170 -0.001 0.000 0.286 180 I C 1.073 177.176 176.117 -0.022 0.000 1.175 180 I CA 0.094 61.392 61.300 -0.004 0.000 1.429 180 I CB 0.265 38.272 38.000 0.012 0.000 1.371 180 I HN 0.185 nan 8.210 nan 0.000 0.569 181 N N 5.666 124.347 118.700 -0.033 0.000 2.434 181 N HA -0.026 4.713 4.740 -0.001 0.000 0.268 181 N C 0.869 176.280 175.510 -0.165 0.000 1.256 181 N CA 0.833 53.839 53.050 -0.073 0.000 0.914 181 N CB 0.371 38.833 38.487 -0.040 0.000 1.088 181 N HN 0.985 nan 8.380 nan 0.000 0.478 182 G N 3.831 112.523 108.800 -0.180 0.000 2.143 182 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.248 182 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.248 182 G C 0.362 175.164 174.900 -0.163 0.000 0.991 182 G CA -0.209 44.743 45.100 -0.245 0.000 0.689 182 G HN 0.690 nan 8.290 nan 0.000 0.522 183 I N 1.211 121.728 120.570 -0.089 0.000 2.826 183 I HA 0.107 4.277 4.170 -0.001 0.000 0.295 183 I C 1.111 177.196 176.117 -0.054 0.000 1.213 183 I CA 1.498 62.769 61.300 -0.048 0.000 1.436 183 I CB 0.535 38.527 38.000 -0.013 0.000 1.348 183 I HN 0.414 nan 8.210 nan 0.000 0.570 184 D N 4.325 124.696 120.400 -0.049 0.000 2.497 184 D HA 0.099 4.738 4.640 -0.001 0.000 0.256 184 D C -0.185 176.090 176.300 -0.042 0.000 1.273 184 D CA -0.205 53.768 54.000 -0.045 0.000 0.812 184 D CB 0.484 41.254 40.800 -0.050 0.000 1.190 184 D HN 0.150 nan 8.370 nan 0.000 0.524 185 K N 0.725 121.095 120.400 -0.049 0.000 2.427 185 K HA 0.792 5.112 4.320 -0.001 0.000 0.252 185 K C -1.102 175.439 176.600 -0.098 0.000 0.931 185 K CA -0.731 55.517 56.287 -0.066 0.000 0.793 185 K CB 2.675 35.135 32.500 -0.067 0.000 1.211 185 K HN 0.100 nan 8.250 nan 0.000 0.426 186 A N 1.883 124.634 122.820 -0.115 0.000 2.318 186 A HA 0.718 5.038 4.320 -0.001 0.000 0.317 186 A C -0.703 176.774 177.584 -0.178 0.000 1.159 186 A CA -0.463 51.467 52.037 -0.178 0.000 0.799 186 A CB 0.767 19.688 19.000 -0.130 0.000 1.194 186 A HN 0.555 nan 8.150 nan 0.000 0.479 187 T N 2.773 117.169 114.554 -0.264 0.000 2.916 187 T HA 0.569 4.919 4.350 -0.001 0.000 0.298 187 T C -0.633 173.978 174.700 -0.148 0.000 1.031 187 T CA -0.340 61.653 62.100 -0.178 0.000 0.993 187 T CB 1.101 69.873 68.868 -0.161 0.000 1.045 187 T HN 0.483 nan 8.240 nan 0.000 0.454 188 L N 1.928 123.104 121.223 -0.078 0.000 2.307 188 L HA 0.652 4.992 4.340 -0.001 0.000 0.284 188 L C 1.222 178.079 176.870 -0.022 0.000 1.023 188 L CA -0.624 54.198 54.840 -0.030 0.000 0.810 188 L CB 1.330 43.312 42.059 -0.130 0.000 1.231 188 L HN 1.044 nan 8.230 nan 0.000 0.423 189 G N 2.110 110.913 108.800 0.006 0.000 2.143 189 G HA2 0.030 3.990 3.960 -0.001 0.000 0.248 189 G HA3 0.030 3.990 3.960 -0.001 0.000 0.248 189 G C 0.008 174.915 174.900 0.012 0.000 0.991 189 G CA 0.262 45.374 45.100 0.019 0.000 0.689 189 G HN 1.229 nan 8.290 nan 0.000 0.522 190 A N -2.492 120.323 122.820 -0.008 0.000 2.452 190 A HA 0.748 5.067 4.320 -0.001 0.000 0.294 190 A C -1.144 176.411 177.584 -0.048 0.000 1.010 190 A CA 0.127 52.162 52.037 -0.003 0.000 0.613 190 A CB 0.726 19.714 19.000 -0.020 0.000 1.363 190 A HN 1.551 nan 8.150 nan 0.000 0.463 191 V N 2.114 122.003 119.914 -0.042 0.000 2.409 191 V HA 0.410 4.530 4.120 -0.001 0.000 0.291 191 V C -0.040 175.971 176.094 -0.139 0.000 1.020 191 V CA -0.874 61.339 62.300 -0.145 0.000 0.848 191 V CB 1.682 33.340 31.823 -0.275 0.000 0.990 191 V HN 0.782 nan 8.190 nan 0.000 0.430 192 N N 5.248 123.872 118.700 -0.126 0.000 2.402 192 N HA 0.172 4.911 4.740 -0.001 0.000 0.259 192 N C -0.272 175.168 175.510 -0.116 0.000 1.167 192 N CA 0.056 53.055 53.050 -0.084 0.000 0.949 192 N CB 0.192 38.640 38.487 -0.065 0.000 1.212 192 N HN 0.588 nan 8.380 nan 0.000 0.493 193 R N 2.655 123.073 120.500 -0.136 0.000 2.310 193 R HA 0.181 4.520 4.340 -0.001 0.000 0.324 193 R C -0.096 176.154 176.300 -0.083 0.000 0.955 193 R CA -0.542 55.422 56.100 -0.226 0.000 0.830 193 R CB 0.916 30.814 30.300 -0.670 0.000 1.154 193 R HN 0.529 nan 8.270 nan 0.000 0.458 194 E N 1.524 121.705 120.200 -0.032 0.000 2.360 194 E HA -0.289 4.060 4.350 -0.001 0.000 0.238 194 E C 0.602 177.211 176.600 0.015 0.000 1.186 194 E CA 0.657 57.063 56.400 0.009 0.000 0.719 194 E CB -1.014 28.690 29.700 0.007 0.000 1.236 194 E HN 1.190 nan 8.360 nan 0.000 0.386 195 G N -0.363 108.441 108.800 0.007 0.000 2.176 195 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.253 195 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.253 195 G C 0.187 175.089 174.900 0.003 0.000 0.979 195 G CA 0.785 45.887 45.100 0.003 0.000 0.641 195 G HN 0.264 nan 8.290 nan 0.000 0.530 196 K N 0.424 120.840 120.400 0.026 0.000 2.267 196 K HA 0.499 4.818 4.320 -0.001 0.000 0.246 196 K C -0.345 176.280 176.600 0.043 0.000 0.954 196 K CA -0.766 55.531 56.287 0.017 0.000 0.824 196 K CB 1.614 34.114 32.500 -0.000 0.000 1.167 196 K HN 0.250 nan 8.250 nan 0.000 0.431 197 E N 2.090 122.265 120.200 -0.042 0.000 2.166 197 E HA 0.060 4.409 4.350 -0.001 0.000 0.279 197 E C -0.868 175.632 176.600 -0.167 0.000 1.095 197 E CA -0.032 56.330 56.400 -0.063 0.000 0.888 197 E CB 0.306 29.963 29.700 -0.073 0.000 1.041 197 E HN 0.300 nan 8.360 nan 0.000 0.414 198 H N 1.295 120.197 119.070 -0.281 0.000 2.502 198 H HA 0.167 4.722 4.556 -0.001 0.000 0.338 198 H C -0.749 174.336 175.328 -0.405 0.000 1.155 198 H CA -0.680 55.053 56.048 -0.524 0.000 1.237 198 H CB 0.512 29.767 29.762 -0.846 0.000 1.534 198 H HN 0.448 nan 8.280 nan 0.000 0.523 199 Y N -0.842 119.440 120.300 -0.030 0.000 3.234 199 Y HA -0.243 4.307 4.550 -0.001 0.000 0.207 199 Y C -0.094 175.784 175.900 -0.037 0.000 1.316 199 Y CA -0.318 57.755 58.100 -0.045 0.000 1.309 199 Y CB -2.507 35.913 38.460 -0.067 0.000 1.408 199 Y HN 0.441 nan 8.280 nan 0.000 0.544 200 L N 0.703 121.942 121.223 0.026 0.000 2.578 200 L HA 0.200 4.539 4.340 -0.001 0.000 0.279 200 L C 0.981 177.882 176.870 0.052 0.000 1.227 200 L CA 0.691 55.542 54.840 0.019 0.000 0.900 200 L CB 0.424 42.472 42.059 -0.019 0.000 1.144 200 L HN 0.532 nan 8.230 nan 0.000 0.496 201 A N 4.271 127.123 122.820 0.053 0.000 2.312 201 A HA 0.615 4.935 4.320 -0.001 0.000 0.326 201 A C -0.580 177.047 177.584 0.071 0.000 1.172 201 A CA -0.651 51.427 52.037 0.068 0.000 0.821 201 A CB 1.344 20.382 19.000 0.063 0.000 1.166 201 A HN 0.583 nan 8.150 nan 0.000 0.493 202 K N 1.123 121.574 120.400 0.084 0.000 2.274 202 K HA 0.685 5.005 4.320 -0.001 0.000 0.262 202 K C 0.138 176.811 176.600 0.122 0.000 0.961 202 K CA 0.679 57.019 56.287 0.089 0.000 0.833 202 K CB 1.096 33.640 32.500 0.072 0.000 1.102 202 K HN 1.509 nan 8.250 nan 0.000 0.436 203 G N 1.020 109.900 108.800 0.133 0.000 2.368 203 G HA2 0.320 4.280 3.960 -0.001 0.000 0.269 203 G HA3 0.320 4.280 3.960 -0.001 0.000 0.269 203 G C -1.618 173.391 174.900 0.183 0.000 1.291 203 G CA -0.253 44.954 45.100 0.179 0.000 0.903 203 G HN 1.024 nan 8.290 nan 0.000 0.483 204 S N -1.312 114.529 115.700 0.235 0.000 2.541 204 S HA 0.757 5.226 4.470 -0.001 0.000 0.271 204 S C -1.153 173.629 174.600 0.303 0.000 1.133 204 S CA -0.773 57.566 58.200 0.231 0.000 0.876 204 S CB 1.884 65.191 63.200 0.177 0.000 1.105 204 S HN 0.968 nan 8.310 nan 0.000 0.470 205 I N 2.029 122.785 120.570 0.310 0.000 2.405 205 I HA 0.305 4.475 4.170 -0.001 0.000 0.280 205 I C 0.335 176.627 176.117 0.292 0.000 1.027 205 I CA -0.475 61.035 61.300 0.350 0.000 1.161 205 I CB 1.419 39.640 38.000 0.368 0.000 1.300 205 I HN 0.861 nan 8.210 nan 0.000 0.463 206 D N 4.307 124.835 120.400 0.214 0.000 2.224 206 D HA -0.068 4.572 4.640 -0.001 0.000 0.205 206 D C 0.522 176.884 176.300 0.103 0.000 0.965 206 D CA 1.240 55.312 54.000 0.121 0.000 0.852 206 D CB 0.562 41.415 40.800 0.087 0.000 0.947 206 D HN 0.580 nan 8.370 nan 0.000 0.494 207 E N -0.199 120.099 120.200 0.164 0.000 2.343 207 E HA 0.327 4.677 4.350 -0.001 0.000 0.286 207 E C -1.809 174.907 176.600 0.193 0.000 0.915 207 E CA -0.644 55.838 56.400 0.138 0.000 0.784 207 E CB 1.251 31.008 29.700 0.094 0.000 1.251 207 E HN 0.104 nan 8.360 nan 0.000 0.407 208 I N 2.737 123.424 120.570 0.194 0.000 2.569 208 I HA 0.479 4.648 4.170 -0.001 0.000 0.290 208 I C -1.576 174.608 176.117 0.113 0.000 1.088 208 I CA -0.275 61.138 61.300 0.188 0.000 1.047 208 I CB 1.918 40.064 38.000 0.244 0.000 1.237 208 I HN 0.440 nan 8.210 nan 0.000 0.421 209 S N 7.061 122.820 115.700 0.099 0.000 2.536 209 S HA 0.756 5.226 4.470 -0.001 0.000 0.287 209 S C -1.091 173.509 174.600 0.000 0.000 1.101 209 S CA -0.549 57.642 58.200 -0.014 0.000 0.950 209 S CB 2.107 65.286 63.200 -0.035 0.000 1.056 209 S HN 0.433 nan 8.310 nan 0.000 0.481 210 L N 2.305 123.441 121.223 -0.144 0.000 2.381 210 L HA 0.702 5.042 4.340 -0.001 0.000 0.268 210 L C -1.471 175.197 176.870 -0.336 0.000 0.997 210 L CA -0.216 54.590 54.840 -0.057 0.000 0.818 210 L CB 1.273 43.379 42.059 0.079 0.000 1.310 210 L HN 0.613 nan 8.230 nan 0.000 0.416 211 F N 0.319 120.321 119.950 0.086 0.000 2.540 211 F HA 0.382 4.909 4.527 -0.001 0.000 0.317 211 F C 0.509 176.344 175.800 0.059 0.000 1.104 211 F CA -0.640 57.398 58.000 0.065 0.000 0.913 211 F CB 1.481 40.507 39.000 0.043 0.000 1.170 211 F HN 0.394 nan 8.300 nan 0.000 0.450 212 N N 2.902 121.725 118.700 0.205 0.000 3.259 212 N HA 0.133 4.873 4.740 -0.001 0.000 0.308 212 N C -0.749 174.835 175.510 0.123 0.000 1.334 212 N CA -0.137 52.996 53.050 0.139 0.000 1.202 212 N CB 0.228 38.774 38.487 0.097 0.000 1.485 212 N HN 0.403 nan 8.380 nan 0.000 0.549 213 K N 0.260 120.741 120.400 0.133 0.000 2.568 213 K HA 0.472 4.791 4.320 -0.001 0.000 0.273 213 K C -1.691 174.925 176.600 0.026 0.000 0.951 213 K CA -0.746 55.578 56.287 0.062 0.000 0.854 213 K CB 1.653 34.183 32.500 0.050 0.000 1.424 213 K HN 0.058 nan 8.250 nan 0.000 0.427 214 A N 4.689 127.493 122.820 -0.026 0.000 2.391 214 A HA 0.352 4.671 4.320 -0.001 0.000 0.316 214 A C 0.319 177.854 177.584 -0.082 0.000 1.381 214 A CA -0.724 51.276 52.037 -0.061 0.000 0.998 214 A CB -0.848 18.096 19.000 -0.093 0.000 1.147 214 A HN 0.648 nan 8.150 nan 0.000 0.545 215 I N 1.514 122.017 120.570 -0.112 0.000 2.692 215 I HA 0.375 4.545 4.170 -0.001 0.000 0.284 215 I C 0.674 176.723 176.117 -0.114 0.000 1.159 215 I CA -0.293 60.917 61.300 -0.150 0.000 1.423 215 I CB 0.779 38.624 38.000 -0.259 0.000 1.380 215 I HN 0.546 nan 8.210 nan 0.000 0.580 216 S N 2.539 118.175 115.700 -0.107 0.000 2.600 216 S HA 0.064 4.534 4.470 -0.001 0.000 0.265 216 S C 0.637 175.181 174.600 -0.094 0.000 1.325 216 S CA -0.056 58.096 58.200 -0.081 0.000 1.002 216 S CB 1.414 64.572 63.200 -0.071 0.000 0.921 216 S HN 0.855 nan 8.310 nan 0.000 0.554 217 D N 0.871 121.238 120.400 -0.055 0.000 2.149 217 D HA -0.209 4.431 4.640 -0.001 0.000 0.198 217 D C 2.192 178.424 176.300 -0.113 0.000 0.990 217 D CA 2.098 56.058 54.000 -0.066 0.000 0.839 217 D CB -0.268 40.547 40.800 0.025 0.000 0.948 217 D HN 0.823 nan 8.370 nan 0.000 0.460 218 Q N 0.225 119.977 119.800 -0.080 0.000 2.061 218 Q HA -0.209 4.131 4.340 -0.001 0.000 0.204 218 Q C 2.045 177.981 176.000 -0.107 0.000 0.984 218 Q CA 1.534 57.289 55.803 -0.080 0.000 0.846 218 Q CB -0.522 28.181 28.738 -0.058 0.000 0.902 218 Q HN 0.354 nan 8.270 nan 0.000 0.421 219 E N 0.747 120.873 120.200 -0.123 0.000 2.077 219 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 219 E C 2.193 178.681 176.600 -0.187 0.000 0.989 219 E CA 1.354 57.666 56.400 -0.146 0.000 0.800 219 E CB -0.044 29.561 29.700 -0.159 0.000 0.746 219 E HN 0.211 nan 8.360 nan 0.000 0.452 220 V N 1.655 121.423 119.914 -0.243 0.000 2.282 220 V HA -0.305 3.814 4.120 -0.001 0.000 0.249 220 V C 2.497 178.425 176.094 -0.275 0.000 1.057 220 V CA 2.115 64.210 62.300 -0.342 0.000 1.032 220 V CB -0.813 30.613 31.823 -0.660 0.000 0.645 220 V HN 0.388 nan 8.190 nan 0.000 0.447 221 S N 0.656 116.223 115.700 -0.223 0.000 2.469 221 S HA -0.188 4.281 4.470 -0.001 0.000 0.238 221 S C 1.859 176.393 174.600 -0.111 0.000 0.998 221 S CA 1.603 59.713 58.200 -0.150 0.000 0.957 221 S CB -0.787 62.349 63.200 -0.107 0.000 0.764 221 S HN 0.799 nan 8.310 nan 0.000 0.514 222 T N -0.477 114.010 114.554 -0.111 0.000 3.067 222 T HA 0.327 4.676 4.350 -0.001 0.000 0.257 222 T C 0.681 175.335 174.700 -0.075 0.000 1.105 222 T CA -0.316 61.734 62.100 -0.084 0.000 1.104 222 T CB -0.748 68.073 68.868 -0.077 0.000 0.925 222 T HN 0.435 nan 8.240 nan 0.000 0.498 223 I N 4.359 124.874 120.570 -0.091 0.000 2.598 223 I HA 0.179 4.349 4.170 -0.001 0.000 0.284 223 I C -1.767 174.321 176.117 -0.048 0.000 1.140 223 I CA -2.022 59.240 61.300 -0.064 0.000 1.420 223 I CB 0.349 38.307 38.000 -0.070 0.000 1.387 223 I HN 0.124 nan 8.210 nan 0.000 0.553 224 P HA 0.161 nan 4.420 nan 0.000 0.266 224 P C -0.870 176.412 177.300 -0.030 0.000 1.195 224 P CA 0.130 63.212 63.100 -0.031 0.000 0.768 224 P CB 0.780 32.470 31.700 -0.018 0.000 0.838 225 L N 1.467 122.661 121.223 -0.049 0.000 2.323 225 L HA 0.402 4.742 4.340 -0.001 0.000 0.265 225 L C 0.591 177.416 176.870 -0.076 0.000 1.012 225 L CA -0.547 54.257 54.840 -0.060 0.000 0.820 225 L CB 1.927 43.933 42.059 -0.089 0.000 1.334 225 L HN 0.223 nan 8.230 nan 0.000 0.427 226 S N 0.843 116.495 115.700 -0.080 0.000 2.256 226 S HA 0.276 4.746 4.470 -0.001 0.000 0.210 226 S C -0.433 174.077 174.600 -0.150 0.000 1.329 226 S CA -0.704 57.441 58.200 -0.091 0.000 1.267 226 S CB -0.339 62.832 63.200 -0.049 0.000 1.086 226 S HN 0.482 nan 8.310 nan 0.000 0.468 227 N N 3.645 122.194 118.700 -0.251 0.000 2.520 227 N HA 0.233 4.973 4.740 -0.001 0.000 0.273 227 N C -1.494 173.736 175.510 -0.466 0.000 1.155 227 N CA -1.550 51.233 53.050 -0.445 0.000 0.967 227 N CB 0.742 38.730 38.487 -0.833 0.000 1.092 227 N HN 0.199 nan 8.380 nan 0.000 0.457 228 P HA 0.069 nan 4.420 nan 0.000 0.249 228 P C -0.557 176.368 177.300 -0.626 0.000 1.229 228 P CA 0.416 63.096 63.100 -0.700 0.000 0.788 228 P CB 0.069 31.093 31.700 -1.126 0.000 1.072 229 F N -0.517 119.131 119.950 -0.504 0.000 2.640 229 F HA 0.702 5.229 4.527 -0.001 0.000 0.324 229 F C -0.524 175.244 175.800 -0.054 0.000 1.077 229 F CA -1.294 56.569 58.000 -0.228 0.000 0.965 229 F CB 1.022 39.946 39.000 -0.127 0.000 1.351 229 F HN -0.244 nan 8.300 nan 0.000 0.487 230 Q N 1.349 121.293 119.800 0.240 0.000 2.496 230 Q HA 0.719 5.059 4.340 -0.001 0.000 0.286 230 Q C -1.851 174.299 176.000 0.251 0.000 1.103 230 Q CA -1.186 54.702 55.803 0.142 0.000 0.813 230 Q CB 2.906 31.729 28.738 0.143 0.000 1.444 230 Q HN 0.819 nan 8.270 nan 0.000 0.443 231 L N 1.492 122.764 121.223 0.081 0.000 2.322 231 L HA 0.435 4.775 4.340 -0.001 0.000 0.281 231 L C 0.631 177.346 176.870 -0.258 0.000 1.014 231 L CA -0.459 54.364 54.840 -0.030 0.000 0.815 231 L CB 1.375 43.442 42.059 0.013 0.000 1.247 231 L HN 0.715 nan 8.230 nan 0.000 0.421 232 I N 1.143 121.419 120.570 -0.489 0.000 2.512 232 I HA 0.074 4.243 4.170 -0.001 0.000 0.247 232 I C -0.021 175.549 176.117 -0.912 0.000 1.094 232 I CA 0.799 61.559 61.300 -0.900 0.000 1.427 232 I CB 0.322 37.488 38.000 -1.389 0.000 1.149 232 I HN 0.296 nan 8.210 nan 0.000 0.438 233 F N 1.782 121.410 119.950 -0.536 0.000 2.480 233 F HA 0.492 5.019 4.527 -0.001 0.000 0.329 233 F C 0.002 175.354 175.800 -0.747 0.000 1.091 233 F CA -0.643 56.888 58.000 -0.781 0.000 0.972 233 F CB 1.320 39.544 39.000 -1.293 0.000 1.150 233 F HN 0.022 nan 8.300 nan 0.000 0.467 234 Q N 0.170 119.770 119.800 -0.334 0.000 2.527 234 Q HA 0.422 4.762 4.340 -0.001 0.000 0.280 234 Q C -1.506 174.633 176.000 0.232 0.000 0.977 234 Q CA -1.105 54.701 55.803 0.004 0.000 0.837 234 Q CB 1.561 30.290 28.738 -0.014 0.000 1.454 234 Q HN 0.469 nan 8.270 nan 0.000 0.387 235 S N 0.379 116.209 115.700 0.218 0.000 2.563 235 S HA 0.350 4.819 4.470 -0.001 0.000 0.294 235 S C 1.162 175.802 174.600 0.066 0.000 1.279 235 S CA 1.270 59.518 58.200 0.079 0.000 1.069 235 S CB 0.172 63.348 63.200 -0.041 0.000 0.828 235 S HN 1.184 nan 8.310 nan 0.000 0.497 236 G N 2.557 111.387 108.800 0.051 0.000 2.175 236 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.244 236 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.244 236 G C -0.083 174.860 174.900 0.071 0.000 0.982 236 G CA 0.165 45.300 45.100 0.059 0.000 0.641 236 G HN 0.820 nan 8.290 nan 0.000 0.527 237 D N 0.770 121.224 120.400 0.090 0.000 2.398 237 D HA 0.468 5.107 4.640 -0.001 0.000 0.264 237 D C 1.998 178.351 176.300 0.087 0.000 1.263 237 D CA 0.685 54.727 54.000 0.070 0.000 1.037 237 D CB -0.278 40.549 40.800 0.045 0.000 1.101 237 D HN 0.583 nan 8.370 nan 0.000 0.551 238 S N -1.838 113.894 115.700 0.053 0.000 2.442 238 S HA -0.224 4.246 4.470 -0.001 0.000 0.236 238 S C 1.877 176.530 174.600 0.089 0.000 1.007 238 S CA 1.637 59.867 58.200 0.050 0.000 0.965 238 S CB -1.500 61.693 63.200 -0.012 0.000 0.773 238 S HN 0.752 nan 8.310 nan 0.000 0.504 239 T N -1.796 112.820 114.554 0.104 0.000 2.951 239 T HA -0.046 4.304 4.350 -0.001 0.000 0.268 239 T C 1.029 175.984 174.700 0.425 0.000 1.073 239 T CA 1.049 63.299 62.100 0.252 0.000 1.134 239 T CB -0.599 68.427 68.868 0.263 0.000 0.884 239 T HN 0.295 nan 8.240 nan 0.000 0.479 240 Q N -0.162 119.791 119.800 0.256 0.000 2.439 240 Q HA -0.168 4.171 4.340 -0.001 0.000 0.247 240 Q C 0.308 176.388 176.000 0.132 0.000 0.899 240 Q CA 0.959 56.892 55.803 0.217 0.000 1.201 240 Q CB -2.455 26.444 28.738 0.269 0.000 1.608 240 Q HN 0.946 nan 8.270 nan 0.000 0.563 241 A N 0.763 123.459 122.820 -0.208 0.000 2.363 241 A HA 0.417 4.736 4.320 -0.001 0.000 0.270 241 A C 1.034 178.197 177.584 -0.701 0.000 1.121 241 A CA 0.150 51.678 52.037 -0.848 0.000 0.800 241 A CB 0.390 18.513 19.000 -1.461 0.000 1.052 241 A HN 0.183 nan 8.150 nan 0.000 0.493 242 N N 0.148 118.415 118.700 -0.721 0.000 2.412 242 N HA 0.087 4.826 4.740 -0.001 0.000 0.184 242 N C -0.999 173.700 175.510 -1.352 0.000 1.101 242 N CA 0.765 53.243 53.050 -0.953 0.000 0.881 242 N CB -0.124 37.712 38.487 -1.084 0.000 0.969 242 N HN 0.666 nan 8.380 nan 0.000 0.459 243 Y N -1.479 118.365 120.300 -0.759 0.000 2.553 243 Y HA 0.518 5.068 4.550 -0.001 0.000 0.347 243 Y C -1.010 174.253 175.900 -1.061 0.000 1.019 243 Y CA -1.098 56.612 58.100 -0.650 0.000 1.032 243 Y CB 1.238 39.450 38.460 -0.414 0.000 1.284 243 Y HN -0.290 nan 8.280 nan 0.000 0.466 244 F N 0.693 120.615 119.950 -0.046 0.000 2.601 244 F HA 0.800 5.326 4.527 -0.001 0.000 0.309 244 F C -0.259 175.497 175.800 -0.073 0.000 1.089 244 F CA -1.082 56.849 58.000 -0.114 0.000 0.940 244 F CB 2.383 41.294 39.000 -0.148 0.000 1.273 244 F HN 0.253 nan 8.300 nan 0.000 0.450 245 R N 1.436 121.981 120.500 0.074 0.000 2.734 245 R HA 0.608 4.947 4.340 -0.001 0.000 0.271 245 R C -1.432 174.858 176.300 -0.017 0.000 1.021 245 R CA -1.017 55.092 56.100 0.015 0.000 0.893 245 R CB 2.324 32.585 30.300 -0.065 0.000 1.244 245 R HN 0.652 nan 8.270 nan 0.000 0.464 246 I N -0.523 120.033 120.570 -0.024 0.000 6.793 246 I HA -0.138 4.032 4.170 -0.001 0.000 0.126 246 I C -2.386 173.787 176.117 0.092 0.000 1.828 246 I CA -0.223 61.116 61.300 0.066 0.000 2.046 246 I CB -2.290 35.732 38.000 0.036 0.000 3.541 246 I HN 0.469 nan 8.210 nan 0.000 0.172 247 P HA 0.344 nan 4.420 nan 0.000 0.275 247 P C 0.276 177.681 177.300 0.174 0.000 1.228 247 P CA 0.436 63.608 63.100 0.121 0.000 0.786 247 P CB 1.483 33.269 31.700 0.143 0.000 0.927 248 T N 0.210 114.876 114.554 0.186 0.000 2.906 248 T HA 0.785 5.134 4.350 -0.001 0.000 0.295 248 T C -0.798 174.072 174.700 0.285 0.000 1.075 248 T CA -0.799 61.442 62.100 0.236 0.000 1.005 248 T CB 1.067 70.073 68.868 0.230 0.000 1.136 248 T HN 0.245 nan 8.240 nan 0.000 0.498 249 L N 1.425 122.843 121.223 0.326 0.000 2.434 249 L HA 0.689 5.029 4.340 -0.001 0.000 0.260 249 L C -1.785 175.339 176.870 0.424 0.000 0.983 249 L CA -1.061 54.006 54.840 0.379 0.000 0.820 249 L CB 2.667 44.950 42.059 0.374 0.000 1.361 249 L HN 0.889 nan 8.230 nan 0.000 0.410 250 Y N 0.277 120.748 120.300 0.285 0.000 2.442 250 Y HA 0.357 4.906 4.550 -0.001 0.000 0.330 250 Y C -0.701 175.333 175.900 0.222 0.000 1.100 250 Y CA -0.508 57.736 58.100 0.240 0.000 1.034 250 Y CB 2.215 40.817 38.460 0.236 0.000 1.285 250 Y HN 0.463 nan 8.280 nan 0.000 0.440 251 T N 6.769 121.334 114.554 0.019 0.000 2.743 251 T HA 0.464 4.814 4.350 -0.001 0.000 0.293 251 T C -0.125 174.674 174.700 0.165 0.000 0.945 251 T CA -0.374 61.781 62.100 0.092 0.000 1.030 251 T CB 0.086 68.963 68.868 0.016 0.000 0.912 251 T HN 0.405 nan 8.240 nan 0.000 0.483 252 L N 2.369 123.723 121.223 0.217 0.000 2.421 252 L HA 0.277 4.616 4.340 -0.001 0.000 0.263 252 L C 2.037 178.969 176.870 0.103 0.000 1.122 252 L CA -0.686 54.277 54.840 0.205 0.000 0.804 252 L CB 0.787 42.938 42.059 0.153 0.000 1.150 252 L HN 0.752 nan 8.230 nan 0.000 0.457 253 S N -0.837 114.919 115.700 0.094 0.000 2.399 253 S HA -0.194 4.275 4.470 -0.001 0.000 0.231 253 S C 1.853 176.463 174.600 0.017 0.000 1.022 253 S CA 1.088 59.318 58.200 0.050 0.000 0.983 253 S CB -0.532 62.698 63.200 0.050 0.000 0.803 253 S HN 0.826 nan 8.310 nan 0.000 0.480 254 S N 1.026 116.730 115.700 0.007 0.000 2.442 254 S HA 0.267 4.737 4.470 -0.001 0.000 0.236 254 S C 1.800 176.384 174.600 -0.027 0.000 1.007 254 S CA 1.061 59.249 58.200 -0.019 0.000 0.965 254 S CB -0.901 62.275 63.200 -0.040 0.000 0.773 254 S HN 1.538 nan 8.310 nan 0.000 0.504 255 G N 1.033 109.823 108.800 -0.017 0.000 2.218 255 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.216 255 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.216 255 G C 0.161 175.041 174.900 -0.033 0.000 0.994 255 G CA -0.040 45.042 45.100 -0.031 0.000 0.637 255 G HN 0.761 nan 8.290 nan 0.000 0.505 256 R N 0.687 121.170 120.500 -0.029 0.000 2.570 256 R HA 0.447 4.786 4.340 -0.001 0.000 0.277 256 R C -0.167 176.154 176.300 0.035 0.000 1.039 256 R CA 0.156 56.239 56.100 -0.029 0.000 1.065 256 R CB 0.498 30.761 30.300 -0.062 0.000 0.964 256 R HN 0.110 nan 8.270 nan 0.000 0.428 257 V N 6.362 126.286 119.914 0.017 0.000 2.398 257 V HA 0.329 4.449 4.120 -0.001 0.000 0.286 257 V C -0.442 175.818 176.094 0.277 0.000 1.026 257 V CA -0.838 61.542 62.300 0.133 0.000 0.868 257 V CB 1.293 33.172 31.823 0.094 0.000 0.982 257 V HN 0.610 nan 8.190 nan 0.000 0.443 258 L N 4.165 125.636 121.223 0.413 0.000 2.334 258 L HA 0.826 5.166 4.340 -0.001 0.000 0.276 258 L C -0.059 177.135 176.870 0.539 0.000 1.014 258 L CA 0.426 55.567 54.840 0.501 0.000 0.815 258 L CB 2.131 44.451 42.059 0.435 0.000 1.268 258 L HN 0.710 nan 8.230 nan 0.000 0.428 259 S N 2.140 118.158 115.700 0.530 0.000 2.526 259 S HA 0.881 5.351 4.470 -0.001 0.000 0.293 259 S C -0.818 174.041 174.600 0.433 0.000 1.092 259 S CA -0.150 58.300 58.200 0.417 0.000 0.980 259 S CB 1.143 64.481 63.200 0.230 0.000 1.048 259 S HN 0.920 nan 8.310 nan 0.000 0.483 260 S N 3.958 119.837 115.700 0.298 0.000 2.677 260 S HA 0.909 5.378 4.470 -0.001 0.000 0.304 260 S C -0.713 173.864 174.600 -0.039 0.000 1.108 260 S CA -0.694 57.589 58.200 0.138 0.000 0.944 260 S CB 1.422 64.647 63.200 0.042 0.000 1.127 260 S HN 0.893 nan 8.310 nan 0.000 0.511 261 I N -0.049 120.381 120.570 -0.235 0.000 2.897 261 I HA 0.303 4.473 4.170 -0.001 0.000 0.299 261 I C -1.993 174.000 176.117 -0.206 0.000 1.527 261 I CA -0.610 60.499 61.300 -0.319 0.000 0.979 261 I CB 2.187 39.691 38.000 -0.827 0.000 1.360 261 I HN 0.649 nan 8.210 nan 0.000 0.495 262 D N 4.946 125.284 120.400 -0.104 0.000 2.339 262 D HA 0.411 5.050 4.640 -0.001 0.000 0.256 262 D C -0.113 176.164 176.300 -0.038 0.000 1.214 262 D CA 0.311 54.281 54.000 -0.050 0.000 0.877 262 D CB 1.368 42.143 40.800 -0.043 0.000 1.111 262 D HN 0.528 nan 8.370 nan 0.000 0.478 263 A N 4.634 127.442 122.820 -0.020 0.000 2.527 263 A HA 0.279 4.598 4.320 -0.001 0.000 0.313 263 A C 0.241 177.604 177.584 -0.368 0.000 1.410 263 A CA -0.556 51.380 52.037 -0.169 0.000 1.060 263 A CB 0.048 19.088 19.000 0.066 0.000 1.137 263 A HN 0.421 nan 8.150 nan 0.000 0.542 264 R N 2.452 122.651 120.500 -0.501 0.000 2.229 264 R HA 0.369 4.709 4.340 -0.001 0.000 0.332 264 R C -0.598 175.451 176.300 -0.418 0.000 0.989 264 R CA -0.213 55.689 56.100 -0.329 0.000 0.842 264 R CB 0.730 30.895 30.300 -0.224 0.000 1.119 264 R HN 0.807 nan 8.270 nan 0.000 0.456 265 Y N 0.713 120.902 120.300 -0.186 0.000 2.301 265 Y HA 0.098 4.647 4.550 -0.001 0.000 0.295 265 Y C 2.109 177.828 175.900 -0.301 0.000 1.119 265 Y CA 0.486 58.492 58.100 -0.156 0.000 1.162 265 Y CB 0.355 38.763 38.460 -0.087 0.000 1.046 265 Y HN 0.692 nan 8.280 nan 0.000 0.538 266 G N 0.597 109.152 108.800 -0.408 0.000 3.458 266 G HA2 0.433 4.392 3.960 -0.001 0.000 0.256 266 G HA3 0.433 4.392 3.960 -0.001 0.000 0.256 266 G C 0.667 174.499 174.900 -1.781 0.000 0.938 266 G CA 0.315 44.635 45.100 -1.301 0.000 1.890 266 G HN 0.605 nan 8.290 nan 0.000 0.639 267 G N 0.929 108.789 108.800 -1.566 0.000 2.645 267 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.246 267 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.246 267 G C 1.079 175.433 174.900 -0.909 0.000 1.322 267 G CA 0.596 44.722 45.100 -1.623 0.000 0.898 267 G HN 1.272 nan 8.290 nan 0.000 0.573 268 T N -2.513 111.689 114.554 -0.588 0.000 3.144 268 T HA 0.245 4.595 4.350 -0.001 0.000 0.249 268 T C 0.881 175.402 174.700 -0.299 0.000 1.089 268 T CA 0.776 62.649 62.100 -0.378 0.000 0.989 268 T CB -0.215 68.486 68.868 -0.278 0.000 0.992 268 T HN 0.716 nan 8.240 nan 0.000 0.540 269 H N 2.707 121.658 119.070 -0.199 0.000 2.972 269 H HA 0.175 4.730 4.556 -0.001 0.000 0.343 269 H C 0.145 175.374 175.328 -0.166 0.000 1.054 269 H CA -0.044 55.906 56.048 -0.164 0.000 1.412 269 H CB 0.281 29.952 29.762 -0.152 0.000 1.385 269 H HN 0.322 nan 8.280 nan 0.000 0.600 270 D N 0.844 121.238 120.400 -0.010 0.000 2.362 270 D HA -0.026 4.614 4.640 -0.001 0.000 0.238 270 D C 0.237 176.509 176.300 -0.047 0.000 1.212 270 D CA 0.019 53.990 54.000 -0.049 0.000 0.902 270 D CB 0.538 41.299 40.800 -0.065 0.000 1.180 270 D HN 0.376 nan 8.370 nan 0.000 0.445 271 S N 0.508 116.177 115.700 -0.052 0.000 2.561 271 S HA -0.039 4.430 4.470 -0.001 0.000 0.294 271 S C 0.365 174.925 174.600 -0.067 0.000 1.294 271 S CA -0.157 58.007 58.200 -0.059 0.000 1.055 271 S CB 0.113 63.290 63.200 -0.038 0.000 0.819 271 S HN 0.314 nan 8.310 nan 0.000 0.503 272 K N 0.943 121.293 120.400 -0.083 0.000 2.412 272 K HA 0.448 4.767 4.320 -0.001 0.000 0.281 272 K C 0.086 176.611 176.600 -0.126 0.000 1.027 272 K CA -0.232 55.992 56.287 -0.104 0.000 0.989 272 K CB 0.629 33.062 32.500 -0.112 0.000 0.935 272 K HN 0.386 nan 8.250 nan 0.000 0.475 273 S N 1.283 116.896 115.700 -0.146 0.000 2.671 273 S HA 0.191 4.661 4.470 -0.001 0.000 0.270 273 S C -1.957 172.525 174.600 -0.196 0.000 1.166 273 S CA -1.050 57.050 58.200 -0.167 0.000 0.868 273 S CB 0.972 64.095 63.200 -0.129 0.000 1.190 273 S HN 0.732 nan 8.310 nan 0.000 0.494 274 K N 1.897 122.196 120.400 -0.168 0.000 2.263 274 K HA 0.690 5.010 4.320 -0.001 0.000 0.272 274 K C -1.455 175.209 176.600 0.107 0.000 1.033 274 K CA -0.340 55.888 56.287 -0.099 0.000 0.884 274 K CB 0.136 32.535 32.500 -0.167 0.000 1.107 274 K HN 0.537 nan 8.250 nan 0.000 0.460 275 I N 3.424 124.069 120.570 0.125 0.000 2.569 275 I HA 0.292 4.462 4.170 -0.001 0.000 0.290 275 I C -0.726 175.558 176.117 0.279 0.000 1.088 275 I CA -1.103 60.319 61.300 0.204 0.000 1.047 275 I CB 2.155 40.203 38.000 0.080 0.000 1.237 275 I HN 0.554 nan 8.210 nan 0.000 0.421 276 N N 5.066 123.968 118.700 0.336 0.000 2.432 276 N HA 0.553 5.293 4.740 -0.001 0.000 0.292 276 N C -0.941 174.668 175.510 0.165 0.000 1.193 276 N CA -0.598 52.612 53.050 0.268 0.000 0.878 276 N CB 2.256 40.860 38.487 0.195 0.000 1.252 276 N HN 0.317 nan 8.380 nan 0.000 0.520 277 I N 1.186 121.749 120.570 -0.011 0.000 2.315 277 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 277 I C 0.402 176.540 176.117 0.035 0.000 1.006 277 I CA -0.825 60.423 61.300 -0.087 0.000 1.265 277 I CB 0.110 37.926 38.000 -0.306 0.000 1.387 277 I HN 0.395 nan 8.210 nan 0.000 0.475 278 A N 5.405 128.228 122.820 0.004 0.000 2.337 278 A HA 0.904 5.224 4.320 -0.001 0.000 0.331 278 A C 0.062 177.681 177.584 0.058 0.000 1.137 278 A CA -0.388 51.660 52.037 0.018 0.000 0.807 278 A CB 1.354 20.344 19.000 -0.017 0.000 1.250 278 A HN 0.749 nan 8.150 nan 0.000 0.468 279 T N -1.642 113.071 114.554 0.266 0.000 2.906 279 T HA 0.788 5.137 4.350 -0.001 0.000 0.295 279 T C -0.424 174.542 174.700 0.444 0.000 1.075 279 T CA -0.418 61.954 62.100 0.453 0.000 1.005 279 T CB 1.601 70.789 68.868 0.533 0.000 1.136 279 T HN 1.442 nan 8.240 nan 0.000 0.498 280 S N 0.721 116.644 115.700 0.371 0.000 2.550 280 S HA 0.752 5.222 4.470 -0.001 0.000 0.270 280 S C -1.949 172.859 174.600 0.347 0.000 1.145 280 S CA -0.898 57.353 58.200 0.085 0.000 0.852 280 S CB 1.061 64.038 63.200 -0.371 0.000 1.119 280 S HN 1.035 nan 8.310 nan 0.000 0.465 281 Y N 0.035 120.503 120.300 0.281 0.000 2.576 281 Y HA 0.853 5.403 4.550 -0.001 0.000 0.346 281 Y C -0.358 175.408 175.900 -0.224 0.000 1.018 281 Y CA -1.099 57.093 58.100 0.153 0.000 1.050 281 Y CB 1.342 39.844 38.460 0.070 0.000 1.280 281 Y HN 0.511 nan 8.280 nan 0.000 0.474 282 S N 0.526 115.934 115.700 -0.487 0.000 2.500 282 S HA 0.394 4.864 4.470 -0.001 0.000 0.301 282 S C -0.772 173.627 174.600 -0.336 0.000 1.092 282 S CA -0.613 57.111 58.200 -0.793 0.000 1.030 282 S CB 0.910 63.063 63.200 -1.744 0.000 1.031 282 S HN 0.778 nan 8.310 nan 0.000 0.483 283 D N 2.131 122.399 120.400 -0.221 0.000 2.398 283 D HA 0.149 4.788 4.640 -0.001 0.000 0.210 283 D C -0.284 175.923 176.300 -0.154 0.000 1.094 283 D CA 0.256 54.178 54.000 -0.131 0.000 0.839 283 D CB 0.494 41.260 40.800 -0.058 0.000 0.963 283 D HN 0.729 nan 8.370 nan 0.000 0.506 284 D N -0.820 119.448 120.400 -0.219 0.000 2.957 284 D HA 0.090 4.730 4.640 -0.001 0.000 0.352 284 D C -0.392 175.796 176.300 -0.185 0.000 1.352 284 D CA -0.763 53.130 54.000 -0.178 0.000 0.831 284 D CB -1.131 39.576 40.800 -0.155 0.000 1.147 284 D HN -0.152 nan 8.370 nan 0.000 0.467 285 N N 0.238 118.829 118.700 -0.181 0.000 2.725 285 N HA -0.172 4.567 4.740 -0.001 0.000 0.249 285 N C 1.063 176.529 175.510 -0.074 0.000 1.103 285 N CA 0.616 53.593 53.050 -0.121 0.000 0.707 285 N CB -1.042 37.367 38.487 -0.130 0.000 1.043 285 N HN 0.628 nan 8.380 nan 0.000 0.553 286 G N -0.921 107.725 108.800 -0.257 0.000 2.176 286 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.253 286 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.253 286 G C 0.883 175.723 174.900 -0.100 0.000 0.979 286 G CA 0.740 45.708 45.100 -0.220 0.000 0.641 286 G HN 0.465 nan 8.290 nan 0.000 0.530 287 K N 0.221 120.545 120.400 -0.127 0.000 2.057 287 K HA 0.051 4.370 4.320 -0.001 0.000 0.207 287 K C 1.369 177.923 176.600 -0.076 0.000 1.049 287 K CA 1.664 57.925 56.287 -0.044 0.000 0.931 287 K CB -0.143 32.319 32.500 -0.063 0.000 0.714 287 K HN 0.737 nan 8.250 nan 0.000 0.440 288 T N -2.608 111.794 114.554 -0.254 0.000 2.903 288 T HA 0.495 4.845 4.350 -0.001 0.000 0.299 288 T C -1.528 172.886 174.700 -0.478 0.000 1.093 288 T CA -1.000 60.978 62.100 -0.203 0.000 1.002 288 T CB 1.284 70.067 68.868 -0.143 0.000 1.127 288 T HN 0.127 nan 8.240 nan 0.000 0.488 289 W N 1.425 122.585 121.300 -0.232 0.000 2.819 289 W HA 0.613 5.273 4.660 -0.000 0.000 0.337 289 W C 0.520 176.830 176.519 -0.348 0.000 1.077 289 W CA -0.688 56.469 57.345 -0.313 0.000 1.226 289 W CB 2.005 31.228 29.460 -0.395 0.000 1.419 289 W HN 0.997 nan 8.180 nan 0.000 0.502 290 S N 0.361 115.886 115.700 -0.291 0.000 2.584 290 S HA 0.177 4.647 4.470 -0.001 0.000 0.270 290 S C 0.022 174.455 174.600 -0.278 0.000 1.346 290 S CA -0.586 57.365 58.200 -0.414 0.000 1.018 290 S CB 1.147 63.760 63.200 -0.979 0.000 0.899 290 S HN 0.457 nan 8.310 nan 0.000 0.542 291 E N 1.795 121.873 120.200 -0.203 0.000 2.415 291 E HA 0.281 4.631 4.350 -0.001 0.000 0.263 291 E C -2.430 174.085 176.600 -0.141 0.000 0.995 291 E CA -1.558 54.756 56.400 -0.144 0.000 0.915 291 E CB -0.020 29.631 29.700 -0.083 0.000 0.951 291 E HN 0.428 nan 8.360 nan 0.000 0.449 292 P HA 0.090 nan 4.420 nan 0.000 0.267 292 P C -0.663 176.588 177.300 -0.083 0.000 1.200 292 P CA 0.274 63.345 63.100 -0.049 0.000 0.772 292 P CB 0.348 32.089 31.700 0.067 0.000 0.855 293 I N -2.205 118.350 120.570 -0.024 0.000 3.108 293 I HA 0.593 4.763 4.170 -0.001 0.000 0.312 293 I C -0.870 175.169 176.117 -0.130 0.000 1.095 293 I CA -1.321 59.936 61.300 -0.070 0.000 1.000 293 I CB 1.465 39.559 38.000 0.156 0.000 1.229 293 I HN -0.035 nan 8.210 nan 0.000 0.454 294 F N 1.552 121.621 119.950 0.199 0.000 2.404 294 F HA 0.618 5.145 4.527 -0.001 0.000 0.345 294 F C 1.177 177.004 175.800 0.045 0.000 1.110 294 F CA -0.187 57.869 58.000 0.093 0.000 1.130 294 F CB 1.709 40.751 39.000 0.070 0.000 1.129 294 F HN 0.628 nan 8.300 nan 0.000 0.500 295 A N 3.914 126.682 122.820 -0.085 0.000 1.943 295 A HA 0.283 4.603 4.320 -0.001 0.000 0.213 295 A C 0.542 177.912 177.584 -0.356 0.000 1.181 295 A CA 0.797 52.492 52.037 -0.570 0.000 0.653 295 A CB 0.049 18.298 19.000 -1.253 0.000 0.833 295 A HN 0.675 nan 8.150 nan 0.000 0.451 296 M N 0.186 119.505 119.600 -0.467 0.000 2.271 296 M HA 0.352 4.832 4.480 -0.001 0.000 0.285 296 M C -1.370 174.415 176.300 -0.859 0.000 1.059 296 M CA -0.417 54.338 55.300 -0.909 0.000 0.940 296 M CB 2.568 34.045 32.600 -1.870 0.000 1.636 296 M HN 0.360 nan 8.290 nan 0.000 0.460 297 K N 1.502 121.602 120.400 -0.499 0.000 2.532 297 K HA 0.783 5.102 4.320 -0.001 0.000 0.265 297 K C -2.014 174.629 176.600 0.073 0.000 0.948 297 K CA -0.744 55.436 56.287 -0.178 0.000 0.842 297 K CB 2.225 34.483 32.500 -0.403 0.000 1.392 297 K HN 0.354 nan 8.250 nan 0.000 0.436 298 F N 0.863 120.989 119.950 0.294 0.000 2.546 298 F HA 0.399 4.925 4.527 -0.001 0.000 0.320 298 F C 0.274 176.137 175.800 0.105 0.000 1.076 298 F CA -1.121 57.047 58.000 0.281 0.000 0.928 298 F CB 2.286 41.419 39.000 0.222 0.000 1.189 298 F HN 0.706 nan 8.300 nan 0.000 0.465 299 N N 0.507 119.445 118.700 0.397 0.000 2.235 299 N HA -0.012 4.727 4.740 -0.001 0.000 0.231 299 N C 0.673 176.151 175.510 -0.054 0.000 1.177 299 N CA -0.016 53.119 53.050 0.142 0.000 0.874 299 N CB 0.361 38.954 38.487 0.176 0.000 1.097 299 N HN 0.530 nan 8.380 nan 0.000 0.518 300 D N 0.142 120.293 120.400 -0.416 0.000 2.178 300 D HA -0.202 4.437 4.640 -0.001 0.000 0.201 300 D C -0.113 176.174 176.300 -0.022 0.000 0.980 300 D CA 1.416 55.065 54.000 -0.585 0.000 0.842 300 D CB -0.079 40.040 40.800 -1.135 0.000 0.948 300 D HN 0.185 nan 8.370 nan 0.000 0.472 301 Y N 0.467 120.661 120.300 -0.178 0.000 2.468 301 Y HA 0.295 4.845 4.550 -0.001 0.000 0.342 301 Y C 0.516 176.343 175.900 -0.122 0.000 1.021 301 Y CA -1.712 56.333 58.100 -0.093 0.000 1.079 301 Y CB 1.275 39.666 38.460 -0.114 0.000 1.226 301 Y HN -0.187 nan 8.280 nan 0.000 0.460 302 E N 1.500 121.715 120.200 0.024 0.000 2.415 302 E HA 0.003 4.353 4.350 -0.001 0.000 0.262 302 E C -0.878 175.662 176.600 -0.100 0.000 1.038 302 E CA -0.197 56.191 56.400 -0.020 0.000 0.921 302 E CB 0.550 30.254 29.700 0.006 0.000 0.950 302 E HN 0.630 nan 8.360 nan 0.000 0.438 303 E N 3.241 123.371 120.200 -0.117 0.000 1.858 303 E HA 0.020 4.370 4.350 -0.001 0.000 0.267 303 E C -0.749 175.899 176.600 0.080 0.000 1.215 303 E CA 0.170 56.470 56.400 -0.167 0.000 0.952 303 E CB 0.556 30.275 29.700 0.032 0.000 1.058 303 E HN 0.301 nan 8.360 nan 0.000 0.407 304 Q N 2.115 121.992 119.800 0.127 0.000 2.316 304 Q HA 0.358 4.698 4.340 -0.001 0.000 0.264 304 Q C -0.710 175.448 176.000 0.263 0.000 0.987 304 Q CA -0.723 55.199 55.803 0.198 0.000 0.852 304 Q CB 2.143 30.991 28.738 0.183 0.000 1.287 304 Q HN 0.462 nan 8.270 nan 0.000 0.448 305 L N 4.013 125.325 121.223 0.149 0.000 2.295 305 L HA 0.368 4.708 4.340 -0.001 0.000 0.288 305 L C -1.299 175.561 176.870 -0.016 0.000 1.079 305 L CA -0.489 54.356 54.840 0.008 0.000 0.830 305 L CB 0.455 42.489 42.059 -0.041 0.000 1.200 305 L HN 0.366 nan 8.230 nan 0.000 0.438 306 V N 4.520 124.438 119.914 0.006 0.000 2.604 306 V HA 0.270 4.389 4.120 -0.001 0.000 0.305 306 V C -0.834 175.305 176.094 0.075 0.000 1.043 306 V CA -0.636 61.772 62.300 0.179 0.000 0.888 306 V CB 1.643 33.783 31.823 0.529 0.000 0.995 306 V HN 0.400 nan 8.190 nan 0.000 0.429 307 Y N 3.007 123.449 120.300 0.236 0.000 2.600 307 Y HA 0.189 4.738 4.550 -0.001 0.000 0.351 307 Y C 0.442 176.446 175.900 0.174 0.000 1.042 307 Y CA -0.023 58.202 58.100 0.208 0.000 1.333 307 Y CB 0.442 38.953 38.460 0.084 0.000 1.172 307 Y HN 0.626 nan 8.280 nan 0.000 0.517 308 W N 7.093 128.461 121.300 0.113 0.000 2.253 308 W HA 0.103 4.763 4.660 -0.001 0.000 0.322 308 W C -2.122 174.228 176.519 -0.281 0.000 1.342 308 W CA -1.781 55.424 57.345 -0.233 0.000 1.218 308 W CB 1.169 30.297 29.460 -0.554 0.000 1.205 308 W HN 0.369 nan 8.180 nan 0.000 0.551 309 P HA 0.024 nan 4.420 nan 0.000 0.268 309 P C -0.101 177.160 177.300 -0.065 0.000 1.205 309 P CA 0.553 63.413 63.100 -0.399 0.000 0.771 309 P CB 0.688 32.008 31.700 -0.635 0.000 0.858 310 R N 0.608 121.119 120.500 0.019 0.000 2.437 310 R HA 0.098 4.437 4.340 -0.001 0.000 0.257 310 R C 0.666 176.994 176.300 0.047 0.000 0.927 310 R CA -0.187 55.974 56.100 0.102 0.000 1.078 310 R CB 0.258 30.618 30.300 0.101 0.000 1.161 310 R HN 0.631 nan 8.270 nan 0.000 0.529 311 D N 0.241 120.645 120.400 0.008 0.000 2.357 311 D HA -0.032 4.608 4.640 -0.001 0.000 0.242 311 D C 0.181 176.490 176.300 0.015 0.000 1.153 311 D CA -0.231 53.772 54.000 0.005 0.000 0.918 311 D CB 0.782 41.575 40.800 -0.012 0.000 1.181 311 D HN -0.218 nan 8.370 nan 0.000 0.435 312 N N 0.520 119.227 118.700 0.013 0.000 2.381 312 N HA -0.135 4.605 4.740 -0.001 0.000 0.182 312 N C 1.474 176.994 175.510 0.017 0.000 1.025 312 N CA 0.632 53.691 53.050 0.015 0.000 0.888 312 N CB -0.170 38.322 38.487 0.008 0.000 0.965 312 N HN 0.571 nan 8.380 nan 0.000 0.438 313 K N 0.430 120.836 120.400 0.011 0.000 2.076 313 K HA 0.091 4.410 4.320 -0.001 0.000 0.204 313 K C 1.447 178.060 176.600 0.022 0.000 1.051 313 K CA 0.702 56.997 56.287 0.013 0.000 0.949 313 K CB 0.182 32.686 32.500 0.007 0.000 0.726 313 K HN 0.085 nan 8.250 nan 0.000 0.443 314 L N 0.702 121.932 121.223 0.011 0.000 2.638 314 L HA 0.098 4.437 4.340 -0.001 0.000 0.232 314 L C 1.941 178.838 176.870 0.046 0.000 1.099 314 L CA -0.060 54.785 54.840 0.010 0.000 0.883 314 L CB 0.119 42.136 42.059 -0.071 0.000 1.136 314 L HN 0.113 nan 8.230 nan 0.000 0.492 315 K N -0.373 120.083 120.400 0.094 0.000 2.211 315 K HA -0.153 4.167 4.320 -0.001 0.000 0.204 315 K C 1.017 177.901 176.600 0.472 0.000 1.047 315 K CA 1.503 57.949 56.287 0.265 0.000 0.935 315 K CB -0.259 32.371 32.500 0.217 0.000 0.728 315 K HN 0.205 nan 8.250 nan 0.000 0.452 316 N N 1.107 119.976 118.700 0.283 0.000 2.461 316 N HA 0.014 4.754 4.740 -0.001 0.000 0.188 316 N C -0.463 175.138 175.510 0.152 0.000 1.134 316 N CA 0.198 53.382 53.050 0.223 0.000 0.878 316 N CB 0.219 38.748 38.487 0.069 0.000 0.972 316 N HN 0.127 nan 8.380 nan 0.000 0.456 317 S N 1.234 117.103 115.700 0.281 0.000 2.575 317 S HA 0.004 4.474 4.470 -0.001 0.000 0.295 317 S C 0.343 175.212 174.600 0.449 0.000 1.267 317 S CA 0.327 58.709 58.200 0.303 0.000 1.074 317 S CB 0.602 64.008 63.200 0.343 0.000 0.829 317 S HN 0.221 nan 8.310 nan 0.000 0.497 318 Q N 1.750 121.671 119.800 0.202 0.000 2.323 318 Q HA 0.394 4.734 4.340 -0.001 0.000 0.271 318 Q C -0.687 175.375 176.000 0.103 0.000 1.048 318 Q CA -0.560 55.296 55.803 0.087 0.000 0.792 318 Q CB 1.824 30.451 28.738 -0.185 0.000 1.280 318 Q HN 0.621 nan 8.270 nan 0.000 0.441 319 I N 1.855 122.486 120.570 0.102 0.000 2.752 319 I HA -0.109 4.061 4.170 -0.001 0.000 0.286 319 I C 0.662 176.679 176.117 -0.166 0.000 1.180 319 I CA 0.814 62.092 61.300 -0.037 0.000 1.404 319 I CB 0.458 38.375 38.000 -0.139 0.000 1.389 319 I HN 0.640 nan 8.210 nan 0.000 0.549 320 S N 3.957 119.556 115.700 -0.168 0.000 2.559 320 S HA 0.161 4.631 4.470 -0.001 0.000 0.226 320 S C 1.405 175.883 174.600 -0.203 0.000 1.000 320 S CA 0.153 58.256 58.200 -0.162 0.000 0.948 320 S CB 0.920 64.056 63.200 -0.106 0.000 0.870 320 S HN 0.905 nan 8.310 nan 0.000 0.497 321 G N 0.766 109.383 108.800 -0.304 0.000 3.274 321 G HA2 0.255 4.214 3.960 -0.001 0.000 0.250 321 G HA3 0.255 4.214 3.960 -0.001 0.000 0.250 321 G C 0.095 174.747 174.900 -0.413 0.000 1.024 321 G CA -0.047 44.880 45.100 -0.288 0.000 0.840 321 G HN 0.353 nan 8.290 nan 0.000 0.522 322 S N 0.374 115.619 115.700 -0.759 0.000 2.578 322 S HA 0.719 5.188 4.470 -0.001 0.000 0.283 322 S C 0.601 174.982 174.600 -0.364 0.000 1.195 322 S CA -0.100 57.644 58.200 -0.761 0.000 1.050 322 S CB 1.143 63.704 63.200 -1.064 0.000 1.012 322 S HN 0.543 nan 8.310 nan 0.000 0.511 323 A N 2.889 125.536 122.820 -0.288 0.000 2.332 323 A HA 0.707 5.027 4.320 -0.001 0.000 0.258 323 A C 0.263 177.772 177.584 -0.125 0.000 1.087 323 A CA -0.171 51.693 52.037 -0.289 0.000 0.802 323 A CB 0.164 18.744 19.000 -0.701 0.000 1.042 323 A HN 1.393 nan 8.150 nan 0.000 0.489 324 S N -0.728 114.914 115.700 -0.097 0.000 2.596 324 S HA 0.806 5.275 4.470 -0.001 0.000 0.270 324 S C -1.039 173.342 174.600 -0.365 0.000 1.155 324 S CA -0.706 57.439 58.200 -0.092 0.000 0.827 324 S CB 0.781 63.945 63.200 -0.060 0.000 1.130 324 S HN 0.516 nan 8.310 nan 0.000 0.467 325 F N 0.544 120.485 119.950 -0.015 0.000 2.538 325 F HA 0.837 5.363 4.527 -0.001 0.000 0.325 325 F C 0.054 175.811 175.800 -0.071 0.000 1.066 325 F CA -0.941 56.987 58.000 -0.119 0.000 0.946 325 F CB 1.804 40.652 39.000 -0.254 0.000 1.199 325 F HN 0.755 nan 8.300 nan 0.000 0.473 326 I N 1.238 121.878 120.570 0.118 0.000 2.787 326 I HA 0.301 4.470 4.170 -0.001 0.000 0.294 326 I C -1.828 174.324 176.117 0.058 0.000 1.365 326 I CA -0.455 60.882 61.300 0.062 0.000 1.029 326 I CB 1.670 39.690 38.000 0.034 0.000 1.313 326 I HN 0.612 nan 8.210 nan 0.000 0.431 327 D N 4.337 124.768 120.400 0.052 0.000 4.353 327 D HA -0.117 4.523 4.640 -0.001 0.000 0.242 327 D C -0.526 175.804 176.300 0.050 0.000 1.063 327 D CA 1.369 55.418 54.000 0.081 0.000 1.224 327 D CB -0.436 40.439 40.800 0.125 0.000 0.831 327 D HN 0.670 nan 8.370 nan 0.000 0.405 328 S N -0.246 115.475 115.700 0.034 0.000 2.654 328 S HA 0.815 5.285 4.470 -0.001 0.000 0.283 328 S C 0.019 174.662 174.600 0.072 0.000 1.180 328 S CA -0.531 57.666 58.200 -0.006 0.000 1.021 328 S CB 2.768 65.926 63.200 -0.071 0.000 1.018 328 S HN 0.356 nan 8.310 nan 0.000 0.532 329 S N 0.532 116.277 115.700 0.076 0.000 2.536 329 S HA 0.693 5.162 4.470 -0.001 0.000 0.271 329 S C -1.356 173.435 174.600 0.318 0.000 1.134 329 S CA -0.816 57.533 58.200 0.248 0.000 0.897 329 S CB 0.567 63.998 63.200 0.384 0.000 1.094 329 S HN 0.733 nan 8.310 nan 0.000 0.473 330 I N 3.000 123.785 120.570 0.359 0.000 2.608 330 I HA 0.740 4.910 4.170 -0.001 0.000 0.295 330 I C -0.725 175.394 176.117 0.004 0.000 1.049 330 I CA -0.858 60.584 61.300 0.236 0.000 1.063 330 I CB 2.133 40.230 38.000 0.162 0.000 1.248 330 I HN 0.428 nan 8.210 nan 0.000 0.424 331 V N 4.688 124.539 119.914 -0.104 0.000 3.147 331 V HA 0.441 4.561 4.120 -0.001 0.000 0.306 331 V C -1.362 174.516 176.094 -0.359 0.000 1.209 331 V CA -0.338 61.653 62.300 -0.514 0.000 1.023 331 V CB 2.573 34.259 31.823 -0.229 0.000 1.059 331 V HN 0.847 nan 8.190 nan 0.000 0.435 332 E N 2.096 122.111 120.200 -0.307 0.000 2.183 332 E HA 0.441 4.790 4.350 -0.001 0.000 0.271 332 E C -1.571 175.085 176.600 0.093 0.000 0.919 332 E CA -0.632 55.773 56.400 0.009 0.000 0.781 332 E CB 1.685 31.478 29.700 0.155 0.000 1.140 332 E HN 0.743 nan 8.360 nan 0.000 0.402 333 D N 3.425 123.879 120.400 0.090 0.000 2.317 333 D HA 0.130 4.769 4.640 -0.001 0.000 0.234 333 D C 0.540 176.880 176.300 0.065 0.000 1.112 333 D CA -0.169 53.878 54.000 0.079 0.000 0.840 333 D CB 1.108 41.953 40.800 0.074 0.000 1.078 333 D HN 0.366 nan 8.370 nan 0.000 0.486 334 K N 2.464 122.901 120.400 0.062 0.000 2.032 334 K HA -0.206 4.113 4.320 -0.001 0.000 0.209 334 K C 1.559 178.178 176.600 0.032 0.000 1.048 334 K CA 1.167 57.483 56.287 0.049 0.000 0.927 334 K CB 0.061 32.588 32.500 0.044 0.000 0.712 334 K HN 0.159 nan 8.250 nan 0.000 0.441 335 K N 0.884 121.299 120.400 0.026 0.000 2.001 335 K HA -0.089 4.230 4.320 -0.001 0.000 0.208 335 K C 2.117 178.726 176.600 0.016 0.000 1.048 335 K CA 2.079 58.376 56.287 0.016 0.000 0.932 335 K CB -0.310 32.196 32.500 0.009 0.000 0.715 335 K HN 0.194 nan 8.250 nan 0.000 0.437 336 S N -1.774 113.938 115.700 0.020 0.000 2.446 336 S HA 0.129 4.599 4.470 -0.001 0.000 0.225 336 S C 1.585 176.196 174.600 0.018 0.000 1.016 336 S CA 0.716 58.927 58.200 0.019 0.000 0.943 336 S CB -0.108 63.108 63.200 0.026 0.000 0.786 336 S HN 0.522 nan 8.310 nan 0.000 0.508 337 G N 1.251 110.066 108.800 0.025 0.000 2.184 337 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.264 337 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.264 337 G C -0.003 174.908 174.900 0.018 0.000 0.975 337 G CA 0.394 45.506 45.100 0.020 0.000 0.642 337 G HN 0.613 nan 8.290 nan 0.000 0.536 338 K N 1.096 121.515 120.400 0.033 0.000 2.382 338 K HA 0.427 4.746 4.320 -0.001 0.000 0.275 338 K C 0.301 176.940 176.600 0.065 0.000 1.009 338 K CA 0.398 56.710 56.287 0.042 0.000 0.970 338 K CB 0.516 33.061 32.500 0.074 0.000 0.934 338 K HN 0.134 nan 8.250 nan 0.000 0.479 339 T N 3.251 117.838 114.554 0.056 0.000 2.806 339 T HA 0.397 4.746 4.350 -0.001 0.000 0.290 339 T C 0.175 175.041 174.700 0.277 0.000 0.966 339 T CA -0.475 61.700 62.100 0.123 0.000 1.060 339 T CB 0.392 69.309 68.868 0.083 0.000 0.927 339 T HN 0.316 nan 8.240 nan 0.000 0.485 340 I N 3.463 124.217 120.570 0.306 0.000 2.433 340 I HA 0.514 4.683 4.170 -0.001 0.000 0.292 340 I C -0.696 175.618 176.117 0.329 0.000 1.001 340 I CA -0.859 60.662 61.300 0.369 0.000 1.119 340 I CB 1.854 40.101 38.000 0.412 0.000 1.289 340 I HN 0.359 nan 8.210 nan 0.000 0.438 341 L N 7.089 128.419 121.223 0.179 0.000 2.381 341 L HA 0.614 4.954 4.340 -0.001 0.000 0.274 341 L C -1.610 175.132 176.870 -0.215 0.000 0.988 341 L CA -0.548 54.249 54.840 -0.070 0.000 0.824 341 L CB 1.524 43.351 42.059 -0.387 0.000 1.263 341 L HN 0.440 nan 8.230 nan 0.000 0.410 342 L N 4.640 125.650 121.223 -0.354 0.000 2.330 342 L HA 0.983 5.322 4.340 -0.001 0.000 0.271 342 L C -0.315 176.390 176.870 -0.275 0.000 1.013 342 L CA -0.150 54.442 54.840 -0.413 0.000 0.816 342 L CB 1.942 43.548 42.059 -0.756 0.000 1.287 342 L HN 0.740 nan 8.230 nan 0.000 0.435 343 A N 0.346 123.033 122.820 -0.222 0.000 2.612 343 A HA 0.644 4.963 4.320 -0.001 0.000 0.293 343 A C -1.696 175.850 177.584 -0.064 0.000 1.075 343 A CA -0.810 51.150 52.037 -0.128 0.000 0.680 343 A CB 0.944 19.852 19.000 -0.153 0.000 1.279 343 A HN 0.580 nan 8.150 nan 0.000 0.411 344 D N 0.486 120.889 120.400 0.006 0.000 2.362 344 D HA 0.431 5.071 4.640 -0.001 0.000 0.242 344 D C -0.211 176.116 176.300 0.044 0.000 1.132 344 D CA 0.360 54.386 54.000 0.043 0.000 0.907 344 D CB 1.280 42.144 40.800 0.106 0.000 1.195 344 D HN 0.265 nan 8.370 nan 0.000 0.429 345 V N 2.328 122.259 119.914 0.028 0.000 2.540 345 V HA 0.396 4.516 4.120 -0.001 0.000 0.302 345 V C -0.043 176.091 176.094 0.066 0.000 1.035 345 V CA -0.785 61.442 62.300 -0.121 0.000 0.873 345 V CB 1.767 33.406 31.823 -0.308 0.000 0.992 345 V HN 0.384 nan 8.190 nan 0.000 0.428 346 M N 5.428 125.017 119.600 -0.019 0.000 2.190 346 M HA 0.495 4.975 4.480 -0.001 0.000 0.312 346 M C -2.848 173.511 176.300 0.100 0.000 0.990 346 M CA -2.191 53.164 55.300 0.092 0.000 0.927 346 M CB 1.867 34.480 32.600 0.022 0.000 1.571 346 M HN 0.291 nan 8.290 nan 0.000 0.427 347 P HA 0.133 nan 4.420 nan 0.000 0.271 347 P C -0.428 176.873 177.300 0.003 0.000 1.244 347 P CA -0.317 62.889 63.100 0.176 0.000 0.793 347 P CB 0.394 32.176 31.700 0.138 0.000 0.984 348 A N 1.333 124.129 122.820 -0.041 0.000 2.580 348 A HA 0.330 4.650 4.320 -0.001 0.000 0.244 348 A C 1.557 179.090 177.584 -0.084 0.000 1.045 348 A CA 0.938 52.921 52.037 -0.090 0.000 0.761 348 A CB -1.824 17.147 19.000 -0.048 0.000 0.962 348 A HN 0.897 nan 8.150 nan 0.000 0.512 349 G N 1.390 110.111 108.800 -0.132 0.000 2.184 349 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.264 349 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.264 349 G C 0.074 174.928 174.900 -0.076 0.000 0.975 349 G CA 0.421 45.453 45.100 -0.113 0.000 0.642 349 G HN 0.771 nan 8.290 nan 0.000 0.536 350 I N 0.922 121.459 120.570 -0.055 0.000 2.460 350 I HA 0.765 4.935 4.170 -0.001 0.000 0.298 350 I C 0.918 177.022 176.117 -0.021 0.000 0.989 350 I CA -0.107 61.180 61.300 -0.021 0.000 1.173 350 I CB 0.967 38.978 38.000 0.019 0.000 1.338 350 I HN 0.275 nan 8.210 nan 0.000 0.456 351 G N 3.663 112.456 108.800 -0.011 0.000 2.827 351 G HA2 0.136 4.095 3.960 -0.001 0.000 0.296 351 G HA3 0.136 4.095 3.960 -0.001 0.000 0.296 351 G C 0.508 175.424 174.900 0.027 0.000 1.362 351 G CA -0.407 44.692 45.100 -0.001 0.000 0.809 351 G HN 0.567 nan 8.290 nan 0.000 0.522 352 N N -0.244 118.469 118.700 0.022 0.000 2.149 352 N HA -0.158 4.582 4.740 -0.001 0.000 0.188 352 N C 1.574 177.102 175.510 0.029 0.000 1.019 352 N CA 1.835 54.911 53.050 0.044 0.000 0.857 352 N CB -0.173 38.264 38.487 -0.084 0.000 0.997 352 N HN 0.587 nan 8.380 nan 0.000 0.426 353 N N 0.361 119.057 118.700 -0.007 0.000 2.309 353 N HA -0.123 4.617 4.740 -0.001 0.000 0.182 353 N C 0.442 175.947 175.510 -0.008 0.000 1.018 353 N CA 1.193 54.235 53.050 -0.012 0.000 0.876 353 N CB -0.050 38.416 38.487 -0.036 0.000 0.972 353 N HN 0.491 nan 8.380 nan 0.000 0.434 354 N N -0.018 118.677 118.700 -0.008 0.000 2.194 354 N HA 0.138 4.878 4.740 -0.001 0.000 0.231 354 N C -0.628 174.879 175.510 -0.005 0.000 1.247 354 N CA -0.312 52.732 53.050 -0.010 0.000 0.884 354 N CB 0.051 38.526 38.487 -0.020 0.000 1.146 354 N HN -0.055 nan 8.380 nan 0.000 0.516 355 A N 0.981 123.804 122.820 0.005 0.000 2.450 355 A HA 0.211 4.530 4.320 -0.001 0.000 0.255 355 A C 0.334 177.900 177.584 -0.030 0.000 1.096 355 A CA -0.407 51.626 52.037 -0.007 0.000 0.778 355 A CB -0.087 18.921 19.000 0.014 0.000 1.031 355 A HN 0.353 nan 8.150 nan 0.000 0.494 356 N N 2.096 120.765 118.700 -0.051 0.000 2.417 356 N HA -0.027 4.713 4.740 -0.001 0.000 0.272 356 N C -0.007 175.445 175.510 -0.097 0.000 1.304 356 N CA 0.662 53.673 53.050 -0.066 0.000 0.906 356 N CB 0.117 38.557 38.487 -0.078 0.000 1.135 356 N HN 0.658 nan 8.380 nan 0.000 0.483 357 K N 2.781 123.132 120.400 -0.081 0.000 2.107 357 K HA 0.363 4.683 4.320 -0.001 0.000 0.251 357 K C 0.242 176.773 176.600 -0.114 0.000 1.012 357 K CA 0.231 56.452 56.287 -0.110 0.000 0.920 357 K CB 0.493 32.944 32.500 -0.081 0.000 1.033 357 K HN 0.603 nan 8.250 nan 0.000 0.478 358 A N 1.819 124.549 122.820 -0.150 0.000 2.860 358 A HA -0.165 4.155 4.320 -0.001 0.000 0.267 358 A C -0.454 177.078 177.584 -0.088 0.000 1.421 358 A CA 1.419 53.391 52.037 -0.108 0.000 0.831 358 A CB -1.626 17.337 19.000 -0.063 0.000 1.041 358 A HN 0.748 nan 8.150 nan 0.000 0.623 359 D N -1.318 119.011 120.400 -0.119 0.000 2.891 359 D HA 0.469 5.108 4.640 -0.001 0.000 0.224 359 D C 1.012 177.229 176.300 -0.138 0.000 1.321 359 D CA 0.399 54.331 54.000 -0.114 0.000 0.929 359 D CB 1.483 42.195 40.800 -0.147 0.000 1.551 359 D HN 0.457 nan 8.370 nan 0.000 0.574 360 S N 1.979 117.639 115.700 -0.066 0.000 2.481 360 S HA 0.163 4.632 4.470 -0.001 0.000 0.231 360 S C 1.650 176.258 174.600 0.013 0.000 0.996 360 S CA 1.055 59.236 58.200 -0.030 0.000 0.942 360 S CB 0.003 63.228 63.200 0.042 0.000 0.768 360 S HN 1.016 nan 8.310 nan 0.000 0.520 361 G N 0.002 108.774 108.800 -0.047 0.000 2.179 361 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.260 361 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.260 361 G C -0.091 174.725 174.900 -0.141 0.000 0.977 361 G CA 0.320 45.368 45.100 -0.086 0.000 0.641 361 G HN 0.537 nan 8.290 nan 0.000 0.533 362 F N -0.064 119.920 119.950 0.057 0.000 2.561 362 F HA 0.686 5.213 4.527 -0.001 0.000 0.321 362 F C 0.420 176.326 175.800 0.175 0.000 1.065 362 F CA -0.987 57.099 58.000 0.143 0.000 0.934 362 F CB 1.955 41.034 39.000 0.132 0.000 1.215 362 F HN -0.041 nan 8.300 nan 0.000 0.471 363 K N 1.990 122.640 120.400 0.417 0.000 2.235 363 K HA 0.196 4.516 4.320 -0.001 0.000 0.266 363 K C -0.681 176.118 176.600 0.333 0.000 0.980 363 K CA -0.513 55.969 56.287 0.325 0.000 0.849 363 K CB 1.195 33.852 32.500 0.261 0.000 1.098 363 K HN 0.670 nan 8.250 nan 0.000 0.445 364 E N 5.280 125.597 120.200 0.195 0.000 2.259 364 E HA 0.161 4.510 4.350 -0.001 0.000 0.281 364 E C -1.031 175.582 176.600 0.023 0.000 1.037 364 E CA -0.308 56.041 56.400 -0.086 0.000 0.854 364 E CB 0.622 30.182 29.700 -0.233 0.000 1.051 364 E HN 0.517 nan 8.360 nan 0.000 0.409 365 I N 4.278 124.885 120.570 0.062 0.000 2.468 365 I HA 0.073 4.243 4.170 -0.001 0.000 0.285 365 I C -0.510 175.672 176.117 0.108 0.000 1.039 365 I CA -0.856 60.529 61.300 0.141 0.000 1.074 365 I CB 1.326 39.487 38.000 0.269 0.000 1.228 365 I HN 0.600 nan 8.210 nan 0.000 0.436 366 N N 4.351 123.070 118.700 0.033 0.000 2.700 366 N HA -0.226 4.514 4.740 -0.001 0.000 0.265 366 N C 0.732 176.132 175.510 -0.183 0.000 0.975 366 N CA 0.997 54.036 53.050 -0.018 0.000 0.800 366 N CB -1.453 37.065 38.487 0.052 0.000 0.908 366 N HN 1.141 nan 8.380 nan 0.000 0.551 367 G N -2.240 106.384 108.800 -0.294 0.000 2.225 367 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.254 367 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.254 367 G C -0.189 174.297 174.900 -0.690 0.000 0.988 367 G CA 0.506 45.318 45.100 -0.480 0.000 0.625 367 G HN 0.862 nan 8.290 nan 0.000 0.527 368 H N -0.762 118.094 119.070 -0.357 0.000 2.479 368 H HA 0.580 5.136 4.556 -0.001 0.000 0.335 368 H C -0.774 174.142 175.328 -0.686 0.000 1.142 368 H CA -0.480 55.286 56.048 -0.470 0.000 1.234 368 H CB 1.054 30.589 29.762 -0.378 0.000 1.503 368 H HN 0.179 nan 8.280 nan 0.000 0.510 369 Y N 1.562 121.662 120.300 -0.334 0.000 2.331 369 Y HA 0.226 4.775 4.550 -0.001 0.000 0.338 369 Y C -0.580 175.171 175.900 -0.248 0.000 0.992 369 Y CA -0.524 57.446 58.100 -0.216 0.000 1.121 369 Y CB 0.763 39.072 38.460 -0.251 0.000 1.184 369 Y HN 0.433 nan 8.280 nan 0.000 0.469 370 Y N 2.908 123.505 120.300 0.495 0.000 2.376 370 Y HA 0.376 4.926 4.550 -0.001 0.000 0.340 370 Y C -0.473 175.620 175.900 0.321 0.000 0.965 370 Y CA -1.391 56.936 58.100 0.380 0.000 1.078 370 Y CB 1.413 39.996 38.460 0.204 0.000 1.193 370 Y HN 0.476 nan 8.280 nan 0.000 0.452 371 L N 4.645 126.031 121.223 0.272 0.000 2.513 371 L HA 0.161 4.501 4.340 -0.001 0.000 0.272 371 L C -0.292 176.577 176.870 -0.002 0.000 1.187 371 L CA 0.051 54.769 54.840 -0.204 0.000 0.895 371 L CB 0.014 41.952 42.059 -0.202 0.000 1.147 371 L HN 0.530 nan 8.230 nan 0.000 0.483 372 K N 6.048 126.422 120.400 -0.044 0.000 2.118 372 K HA 0.588 4.907 4.320 -0.001 0.000 0.264 372 K C -1.062 175.672 176.600 0.224 0.000 1.000 372 K CA -0.567 55.796 56.287 0.127 0.000 0.929 372 K CB 1.101 33.650 32.500 0.082 0.000 1.021 372 K HN 0.555 nan 8.250 nan 0.000 0.463 373 L N 1.655 123.114 121.223 0.393 0.000 2.422 373 L HA 0.423 4.762 4.340 -0.001 0.000 0.264 373 L C -0.662 176.427 176.870 0.365 0.000 0.984 373 L CA -0.877 54.192 54.840 0.380 0.000 0.819 373 L CB 2.218 44.437 42.059 0.266 0.000 1.330 373 L HN 0.525 nan 8.230 nan 0.000 0.410 374 K N 3.350 123.720 120.400 -0.050 0.000 2.274 374 K HA 0.395 4.715 4.320 -0.001 0.000 0.262 374 K C -0.922 175.480 176.600 -0.329 0.000 0.961 374 K CA -0.684 55.347 56.287 -0.426 0.000 0.833 374 K CB 1.772 33.506 32.500 -1.277 0.000 1.102 374 K HN 0.488 nan 8.250 nan 0.000 0.436 375 K N 3.047 123.237 120.400 -0.350 0.000 2.144 375 K HA 0.082 4.402 4.320 -0.001 0.000 0.270 375 K C -0.203 176.123 176.600 -0.456 0.000 1.005 375 K CA -0.605 55.241 56.287 -0.735 0.000 0.932 375 K CB 0.717 32.668 32.500 -0.914 0.000 1.021 375 K HN 0.557 nan 8.250 nan 0.000 0.462 376 N N 1.449 119.868 118.700 -0.468 0.000 2.411 376 N HA 0.016 4.755 4.740 -0.001 0.000 0.261 376 N C 0.670 176.050 175.510 -0.217 0.000 1.248 376 N CA 1.893 54.770 53.050 -0.288 0.000 0.885 376 N CB 0.478 38.814 38.487 -0.251 0.000 1.062 376 N HN 0.800 nan 8.380 nan 0.000 0.471 377 G N 2.561 111.268 108.800 -0.156 0.000 2.313 377 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.215 377 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.215 377 G C -0.441 174.403 174.900 -0.094 0.000 1.023 377 G CA 0.030 45.064 45.100 -0.109 0.000 0.626 377 G HN 0.638 nan 8.290 nan 0.000 0.503 378 D N 1.005 121.336 120.400 -0.114 0.000 2.304 378 D HA 0.417 5.056 4.640 -0.001 0.000 0.247 378 D C 1.434 177.668 176.300 -0.112 0.000 1.089 378 D CA 0.017 53.963 54.000 -0.091 0.000 0.910 378 D CB 0.886 41.644 40.800 -0.069 0.000 1.199 378 D HN 0.379 nan 8.370 nan 0.000 0.426 379 N N 0.584 119.239 118.700 -0.075 0.000 2.373 379 N HA -0.095 4.645 4.740 -0.001 0.000 0.181 379 N C -0.364 175.116 175.510 -0.049 0.000 1.082 379 N CA 0.055 53.067 53.050 -0.062 0.000 0.885 379 N CB 0.362 38.833 38.487 -0.027 0.000 0.977 379 N HN 0.437 nan 8.380 nan 0.000 0.462 380 D N -0.402 119.969 120.400 -0.048 0.000 2.450 380 D HA 0.228 4.868 4.640 -0.001 0.000 0.238 380 D C -1.096 175.185 176.300 -0.031 0.000 1.020 380 D CA -0.820 53.199 54.000 0.033 0.000 1.010 380 D CB 0.252 41.093 40.800 0.067 0.000 1.342 380 D HN -0.079 nan 8.370 nan 0.000 0.530 381 F N 0.507 120.484 119.950 0.044 0.000 2.423 381 F HA 0.323 4.849 4.527 -0.001 0.000 0.356 381 F C 1.775 177.613 175.800 0.063 0.000 1.170 381 F CA -0.513 57.537 58.000 0.082 0.000 1.163 381 F CB 0.714 39.757 39.000 0.071 0.000 1.318 381 F HN 0.067 nan 8.300 nan 0.000 0.569 382 R N 1.880 122.462 120.500 0.137 0.000 2.334 382 R HA 0.138 4.477 4.340 -0.001 0.000 0.216 382 R C -0.821 175.285 176.300 -0.323 0.000 0.905 382 R CA 0.194 56.206 56.100 -0.147 0.000 1.064 382 R CB 0.296 30.370 30.300 -0.376 0.000 1.046 382 R HN 0.462 nan 8.270 nan 0.000 0.508 383 Y N -0.484 119.912 120.300 0.160 0.000 2.536 383 Y HA 0.334 4.884 4.550 -0.001 0.000 0.347 383 Y C 0.453 176.451 175.900 0.164 0.000 1.000 383 Y CA -0.965 57.226 58.100 0.152 0.000 1.051 383 Y CB 2.162 40.732 38.460 0.184 0.000 1.259 383 Y HN -0.150 nan 8.280 nan 0.000 0.468 384 T N -1.859 112.875 114.554 0.300 0.000 2.906 384 T HA 0.687 5.036 4.350 -0.001 0.000 0.295 384 T C -1.372 173.426 174.700 0.163 0.000 1.075 384 T CA -0.947 61.289 62.100 0.226 0.000 1.005 384 T CB 1.383 70.372 68.868 0.201 0.000 1.136 384 T HN 0.305 nan 8.240 nan 0.000 0.498 385 V N 3.391 123.393 119.914 0.147 0.000 2.334 385 V HA 0.446 4.565 4.120 -0.001 0.000 0.267 385 V C 0.491 176.661 176.094 0.126 0.000 1.040 385 V CA -0.850 61.514 62.300 0.105 0.000 0.866 385 V CB 0.194 32.083 31.823 0.109 0.000 1.019 385 V HN 0.740 nan 8.190 nan 0.000 0.468 386 R N 2.314 122.803 120.500 -0.019 0.000 2.524 386 R HA 0.448 4.787 4.340 -0.001 0.000 0.236 386 R C 0.103 176.411 176.300 0.014 0.000 1.240 386 R CA -0.977 55.025 56.100 -0.164 0.000 1.111 386 R CB 0.450 30.522 30.300 -0.379 0.000 1.436 386 R HN 0.589 nan 8.270 nan 0.000 0.573 387 E N 1.109 121.313 120.200 0.006 0.000 2.481 387 E HA -0.063 4.286 4.350 -0.001 0.000 0.263 387 E C -0.132 176.469 176.600 0.003 0.000 0.992 387 E CA 0.685 57.106 56.400 0.035 0.000 0.938 387 E CB -0.150 29.555 29.700 0.008 0.000 0.933 387 E HN 0.481 nan 8.360 nan 0.000 0.453 388 N N 1.529 120.234 118.700 0.008 0.000 2.741 388 N HA -0.249 4.490 4.740 -0.001 0.000 0.250 388 N C 0.585 176.085 175.510 -0.017 0.000 1.115 388 N CA 0.360 53.405 53.050 -0.008 0.000 0.724 388 N CB -1.196 37.284 38.487 -0.012 0.000 1.090 388 N HN 0.796 nan 8.380 nan 0.000 0.558 389 G N -1.934 106.859 108.800 -0.012 0.000 2.155 389 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.257 389 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.257 389 G C 0.149 175.034 174.900 -0.024 0.000 0.983 389 G CA 0.190 45.274 45.100 -0.027 0.000 0.676 389 G HN 0.500 nan 8.290 nan 0.000 0.528 390 V N 1.289 121.196 119.914 -0.011 0.000 2.450 390 V HA 0.248 4.368 4.120 -0.001 0.000 0.281 390 V C 1.239 177.347 176.094 0.024 0.000 1.019 390 V CA -0.154 62.149 62.300 0.004 0.000 1.062 390 V CB 1.368 33.199 31.823 0.014 0.000 0.979 390 V HN 0.269 nan 8.190 nan 0.000 0.477 391 V N 7.114 127.025 119.914 -0.004 0.000 2.439 391 V HA 0.115 4.234 4.120 -0.001 0.000 0.271 391 V C -0.291 175.898 176.094 0.157 0.000 1.040 391 V CA -0.075 62.210 62.300 -0.025 0.000 1.002 391 V CB -0.045 31.578 31.823 -0.332 0.000 1.000 391 V HN 0.730 nan 8.190 nan 0.000 0.477 392 Y N 5.313 125.659 120.300 0.077 0.000 2.352 392 Y HA 0.441 4.990 4.550 -0.001 0.000 0.339 392 Y C 0.286 176.259 175.900 0.122 0.000 0.992 392 Y CA -0.957 57.188 58.100 0.076 0.000 1.100 392 Y CB 1.306 39.748 38.460 -0.029 0.000 1.192 392 Y HN 0.631 nan 8.280 nan 0.000 0.458 393 N N 5.001 123.463 118.700 -0.396 0.000 2.401 393 N HA 0.027 4.766 4.740 -0.001 0.000 0.255 393 N C 0.418 175.568 175.510 -0.600 0.000 1.110 393 N CA 0.210 52.936 53.050 -0.540 0.000 0.949 393 N CB 0.903 39.152 38.487 -0.396 0.000 1.110 393 N HN 0.794 nan 8.380 nan 0.000 0.490 394 E N 1.991 121.988 120.200 -0.338 0.000 2.285 394 E HA -0.042 4.307 4.350 -0.001 0.000 0.194 394 E C 0.839 177.359 176.600 -0.132 0.000 0.997 394 E CA 0.963 57.293 56.400 -0.117 0.000 0.845 394 E CB 0.159 29.864 29.700 0.008 0.000 0.782 394 E HN 0.611 nan 8.360 nan 0.000 0.491 395 T N 0.279 114.710 114.554 -0.205 0.000 2.978 395 T HA -0.059 4.291 4.350 -0.001 0.000 0.262 395 T C 1.935 176.560 174.700 -0.126 0.000 1.063 395 T CA 1.642 63.659 62.100 -0.140 0.000 1.140 395 T CB 0.010 68.791 68.868 -0.145 0.000 0.886 395 T HN 0.307 nan 8.240 nan 0.000 0.470 396 T N -0.982 113.465 114.554 -0.179 0.000 3.054 396 T HA 0.168 4.517 4.350 -0.001 0.000 0.255 396 T C 0.626 175.231 174.700 -0.158 0.000 1.035 396 T CA -0.345 61.672 62.100 -0.139 0.000 0.941 396 T CB -0.205 68.589 68.868 -0.124 0.000 1.026 396 T HN 0.208 nan 8.240 nan 0.000 0.533 397 N N 1.990 120.545 118.700 -0.242 0.000 2.705 397 N HA -0.133 4.607 4.740 -0.001 0.000 0.255 397 N C -1.000 174.342 175.510 -0.279 0.000 1.008 397 N CA 0.927 53.827 53.050 -0.250 0.000 0.742 397 N CB -0.675 37.829 38.487 0.027 0.000 0.906 397 N HN 0.682 nan 8.380 nan 0.000 0.541 398 K N 0.261 120.352 120.400 -0.515 0.000 2.422 398 K HA 0.443 4.763 4.320 -0.001 0.000 0.251 398 K C -2.483 173.920 176.600 -0.328 0.000 0.933 398 K CA -1.545 54.588 56.287 -0.256 0.000 0.798 398 K CB 2.615 35.044 32.500 -0.119 0.000 1.238 398 K HN -0.110 nan 8.250 nan 0.000 0.428 399 P HA -0.024 nan 4.420 nan 0.000 0.271 399 P C -0.294 177.046 177.300 0.066 0.000 1.218 399 P CA -0.141 63.034 63.100 0.126 0.000 0.780 399 P CB 0.730 32.534 31.700 0.173 0.000 0.901 400 T N -1.391 113.230 114.554 0.111 0.000 2.880 400 T HA 0.221 4.570 4.350 -0.001 0.000 0.279 400 T C 0.896 175.618 174.700 0.035 0.000 0.990 400 T CA -0.485 61.696 62.100 0.135 0.000 0.938 400 T CB 0.159 69.213 68.868 0.310 0.000 1.206 400 T HN 0.197 nan 8.240 nan 0.000 0.573 401 N N -0.795 117.858 118.700 -0.078 0.000 2.362 401 N HA 0.142 4.882 4.740 -0.001 0.000 0.204 401 N C -1.310 173.973 175.510 -0.378 0.000 1.166 401 N CA -0.319 52.592 53.050 -0.233 0.000 0.831 401 N CB -0.638 37.676 38.487 -0.288 0.000 1.008 401 N HN 0.561 nan 8.380 nan 0.000 0.472 402 Y N -0.611 119.651 120.300 -0.064 0.000 2.387 402 Y HA 0.410 4.959 4.550 -0.001 0.000 0.336 402 Y C 0.821 176.628 175.900 -0.155 0.000 1.067 402 Y CA -0.898 57.122 58.100 -0.133 0.000 1.114 402 Y CB 1.521 39.811 38.460 -0.282 0.000 1.208 402 Y HN -0.111 nan 8.280 nan 0.000 0.458 403 T N 0.477 115.043 114.554 0.019 0.000 2.916 403 T HA 0.693 5.043 4.350 -0.001 0.000 0.292 403 T C -1.042 173.630 174.700 -0.047 0.000 1.055 403 T CA -0.885 61.197 62.100 -0.030 0.000 1.009 403 T CB 1.519 70.371 68.868 -0.027 0.000 1.118 403 T HN 0.287 nan 8.240 nan 0.000 0.497 404 I N 3.871 124.400 120.570 -0.068 0.000 2.339 404 I HA 0.358 4.527 4.170 -0.001 0.000 0.290 404 I C 0.404 176.460 176.117 -0.101 0.000 0.994 404 I CA -0.927 60.327 61.300 -0.076 0.000 1.191 404 I CB 0.854 38.811 38.000 -0.071 0.000 1.343 404 I HN 0.885 nan 8.210 nan 0.000 0.458 405 N N 4.602 123.243 118.700 -0.099 0.000 2.366 405 N HA 0.073 4.813 4.740 -0.001 0.000 0.277 405 N C 0.374 175.749 175.510 -0.225 0.000 1.275 405 N CA -0.225 52.755 53.050 -0.118 0.000 0.964 405 N CB 0.506 38.952 38.487 -0.068 0.000 1.167 405 N HN 0.311 nan 8.380 nan 0.000 0.568 406 D N -0.756 119.525 120.400 -0.198 0.000 2.263 406 D HA -0.088 4.551 4.640 -0.001 0.000 0.208 406 D C 0.580 176.676 176.300 -0.340 0.000 0.971 406 D CA 1.265 55.105 54.000 -0.267 0.000 0.867 406 D CB -0.039 40.675 40.800 -0.143 0.000 0.929 406 D HN 0.590 nan 8.370 nan 0.000 0.492 407 K N -0.363 119.909 120.400 -0.213 0.000 2.417 407 K HA 0.037 4.357 4.320 -0.001 0.000 0.196 407 K C -0.374 176.243 176.600 0.029 0.000 1.023 407 K CA -0.238 55.973 56.287 -0.126 0.000 1.122 407 K CB 0.266 32.748 32.500 -0.031 0.000 0.850 407 K HN 0.105 nan 8.250 nan 0.000 0.521 408 Y N 0.395 120.664 120.300 -0.051 0.000 3.929 408 Y HA -0.280 4.270 4.550 -0.001 0.000 0.225 408 Y C -0.414 175.488 175.900 0.003 0.000 1.200 408 Y CA 0.340 58.458 58.100 0.030 0.000 1.791 408 Y CB -2.438 36.135 38.460 0.188 0.000 1.561 408 Y HN 0.218 nan 8.280 nan 0.000 0.657 409 E N -0.448 119.779 120.200 0.045 0.000 2.214 409 E HA 0.593 4.943 4.350 -0.001 0.000 0.274 409 E C -0.366 176.242 176.600 0.012 0.000 0.977 409 E CA -1.050 55.363 56.400 0.022 0.000 0.827 409 E CB 1.961 31.677 29.700 0.027 0.000 1.130 409 E HN 0.008 nan 8.360 nan 0.000 0.394 410 V N 3.615 123.546 119.914 0.028 0.000 2.461 410 V HA 0.179 4.298 4.120 -0.001 0.000 0.275 410 V C -0.374 175.767 176.094 0.078 0.000 1.047 410 V CA -0.418 61.911 62.300 0.049 0.000 0.955 410 V CB 0.349 32.224 31.823 0.085 0.000 0.988 410 V HN 0.431 nan 8.190 nan 0.000 0.471 411 L N 4.304 125.574 121.223 0.079 0.000 2.346 411 L HA 0.573 4.913 4.340 -0.001 0.000 0.274 411 L C -0.044 176.888 176.870 0.104 0.000 1.007 411 L CA -0.075 54.808 54.840 0.070 0.000 0.818 411 L CB 1.821 43.892 42.059 0.020 0.000 1.284 411 L HN 0.708 nan 8.230 nan 0.000 0.424 412 E N 1.421 121.648 120.200 0.044 0.000 2.185 412 E HA 0.458 4.808 4.350 -0.001 0.000 0.261 412 E C 0.513 177.035 176.600 -0.129 0.000 0.879 412 E CA -0.166 56.162 56.400 -0.120 0.000 0.756 412 E CB 1.048 30.685 29.700 -0.106 0.000 1.152 412 E HN 0.801 nan 8.360 nan 0.000 0.416 413 G N 3.272 111.971 108.800 -0.168 0.000 2.321 413 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.287 413 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.287 413 G C 0.906 175.770 174.900 -0.061 0.000 1.018 413 G CA 0.624 45.659 45.100 -0.108 0.000 0.855 413 G HN 1.376 nan 8.290 nan 0.000 0.507 414 G N -1.247 107.526 108.800 -0.046 0.000 2.241 414 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.244 414 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.244 414 G C 0.429 175.321 174.900 -0.013 0.000 0.998 414 G CA 1.175 46.260 45.100 -0.025 0.000 0.621 414 G HN 1.255 nan 8.290 nan 0.000 0.519 415 K N 1.524 121.916 120.400 -0.013 0.000 2.258 415 K HA 0.536 4.856 4.320 -0.001 0.000 0.284 415 K C 0.119 176.731 176.600 0.020 0.000 1.051 415 K CA -0.174 56.115 56.287 0.002 0.000 0.923 415 K CB 0.468 32.967 32.500 -0.002 0.000 1.046 415 K HN 0.072 nan 8.250 nan 0.000 0.474 416 S N 4.566 120.281 115.700 0.025 0.000 2.465 416 S HA 0.131 4.600 4.470 -0.001 0.000 0.280 416 S C 0.161 174.791 174.600 0.049 0.000 1.232 416 S CA -0.450 57.773 58.200 0.038 0.000 1.066 416 S CB 0.052 63.273 63.200 0.036 0.000 0.929 416 S HN 0.431 nan 8.310 nan 0.000 0.494 417 L N 3.597 124.861 121.223 0.068 0.000 2.439 417 L HA 0.464 4.803 4.340 -0.001 0.000 0.261 417 L C 0.966 177.879 176.870 0.071 0.000 1.153 417 L CA -0.490 54.395 54.840 0.075 0.000 0.808 417 L CB 0.799 42.921 42.059 0.106 0.000 1.126 417 L HN 0.609 nan 8.230 nan 0.000 0.460 418 T N -0.965 113.626 114.554 0.062 0.000 2.916 418 T HA 0.744 5.093 4.350 -0.001 0.000 0.292 418 T C -0.487 174.250 174.700 0.062 0.000 1.064 418 T CA -0.771 61.369 62.100 0.068 0.000 1.011 418 T CB 1.994 70.888 68.868 0.043 0.000 1.152 418 T HN 0.471 nan 8.240 nan 0.000 0.510 419 V N -1.645 118.319 119.914 0.084 0.000 3.074 419 V HA 0.732 4.852 4.120 -0.001 0.000 0.314 419 V C -0.432 175.647 176.094 -0.024 0.000 1.117 419 V CA -1.231 61.097 62.300 0.047 0.000 1.014 419 V CB 1.653 33.563 31.823 0.144 0.000 1.057 419 V HN 1.159 nan 8.190 nan 0.000 0.438 420 E N 1.464 121.580 120.200 -0.139 0.000 2.229 420 E HA 0.251 4.601 4.350 -0.001 0.000 0.283 420 E C -0.173 176.327 176.600 -0.168 0.000 1.030 420 E CA -0.386 55.889 56.400 -0.208 0.000 0.836 420 E CB 1.120 30.547 29.700 -0.455 0.000 1.068 420 E HN 0.809 nan 8.360 nan 0.000 0.401 421 Q N 2.998 122.714 119.800 -0.141 0.000 2.392 421 Q HA 0.049 4.389 4.340 -0.001 0.000 0.262 421 Q C -1.248 174.561 176.000 -0.318 0.000 1.003 421 Q CA 0.052 55.753 55.803 -0.169 0.000 0.888 421 Q CB 0.525 29.205 28.738 -0.097 0.000 1.260 421 Q HN 0.506 nan 8.270 nan 0.000 0.435 422 Y N 0.491 120.518 120.300 -0.454 0.000 2.387 422 Y HA 0.356 4.905 4.550 -0.001 0.000 0.330 422 Y C 0.153 175.729 175.900 -0.539 0.000 1.133 422 Y CA -0.388 57.289 58.100 -0.705 0.000 1.152 422 Y CB 2.116 39.637 38.460 -1.566 0.000 1.215 422 Y HN 0.502 nan 8.280 nan 0.000 0.466 423 S N 1.087 116.688 115.700 -0.164 0.000 2.638 423 S HA 0.728 5.198 4.470 -0.001 0.000 0.302 423 S C -1.011 173.602 174.600 0.021 0.000 1.096 423 S CA -0.889 57.289 58.200 -0.037 0.000 0.953 423 S CB 1.779 64.973 63.200 -0.011 0.000 1.107 423 S HN 0.517 nan 8.310 nan 0.000 0.503 424 V N 0.012 119.988 119.914 0.103 0.000 2.815 424 V HA 0.992 5.112 4.120 -0.001 0.000 0.314 424 V C -1.267 174.845 176.094 0.029 0.000 1.064 424 V CA -0.907 61.441 62.300 0.079 0.000 0.952 424 V CB 1.477 33.416 31.823 0.193 0.000 1.020 424 V HN 1.051 nan 8.190 nan 0.000 0.439 425 D N 1.356 121.690 120.400 -0.111 0.000 2.623 425 D HA 0.489 5.129 4.640 -0.001 0.000 0.241 425 D C -0.896 175.218 176.300 -0.309 0.000 1.241 425 D CA -0.621 53.329 54.000 -0.083 0.000 0.788 425 D CB 1.578 42.370 40.800 -0.013 0.000 1.413 425 D HN 0.303 nan 8.370 nan 0.000 0.429 426 F N 0.036 119.934 119.950 -0.088 0.000 2.668 426 F HA 0.237 4.763 4.527 -0.001 0.000 0.301 426 F C 1.024 176.783 175.800 -0.068 0.000 1.106 426 F CA -0.541 57.388 58.000 -0.119 0.000 1.289 426 F CB 0.539 39.425 39.000 -0.190 0.000 1.006 426 F HN 0.266 nan 8.300 nan 0.000 0.535 427 D N -0.067 120.377 120.400 0.073 0.000 2.182 427 D HA -0.175 4.464 4.640 -0.001 0.000 0.201 427 D C 2.239 178.557 176.300 0.030 0.000 0.986 427 D CA 1.782 55.810 54.000 0.048 0.000 0.847 427 D CB -0.199 40.617 40.800 0.026 0.000 0.942 427 D HN 0.297 nan 8.370 nan 0.000 0.467 428 S N -1.417 114.291 115.700 0.012 0.000 2.575 428 S HA 0.331 4.800 4.470 -0.001 0.000 0.215 428 S C 1.647 176.257 174.600 0.016 0.000 0.966 428 S CA 0.609 58.811 58.200 0.003 0.000 0.911 428 S CB 0.626 63.815 63.200 -0.019 0.000 0.780 428 S HN 0.312 nan 8.310 nan 0.000 0.514 429 G N 0.643 109.470 108.800 0.046 0.000 2.194 429 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.236 429 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.236 429 G C 0.140 175.091 174.900 0.084 0.000 0.987 429 G CA 0.197 45.332 45.100 0.058 0.000 0.635 429 G HN 1.648 nan 8.290 nan 0.000 0.520 430 S N -1.060 114.676 115.700 0.061 0.000 2.638 430 S HA 0.766 5.236 4.470 -0.001 0.000 0.274 430 S C -0.595 173.885 174.600 -0.201 0.000 1.157 430 S CA -0.448 57.777 58.200 0.042 0.000 0.826 430 S CB 2.151 65.347 63.200 -0.007 0.000 1.139 430 S HN 1.556 nan 8.310 nan 0.000 0.474 431 L N 1.750 122.730 121.223 -0.406 0.000 2.462 431 L HA 0.532 4.872 4.340 -0.001 0.000 0.272 431 L C 0.259 176.878 176.870 -0.418 0.000 1.166 431 L CA 0.565 54.889 54.840 -0.860 0.000 0.880 431 L CB 0.077 41.733 42.059 -0.672 0.000 1.142 431 L HN 0.855 nan 8.230 nan 0.000 0.473 432 R N 4.049 124.312 120.500 -0.396 0.000 2.561 432 R HA 0.495 4.835 4.340 -0.001 0.000 0.297 432 R C -1.228 174.990 176.300 -0.137 0.000 0.969 432 R CA -0.517 55.464 56.100 -0.198 0.000 0.879 432 R CB 1.169 31.382 30.300 -0.146 0.000 1.178 432 R HN 0.760 nan 8.270 nan 0.000 0.445 433 E N 4.987 125.143 120.200 -0.073 0.000 2.182 433 E HA 0.312 4.661 4.350 -0.001 0.000 0.258 433 E C -0.979 175.624 176.600 0.005 0.000 0.879 433 E CA -0.776 55.616 56.400 -0.013 0.000 0.754 433 E CB 1.825 31.538 29.700 0.022 0.000 1.162 433 E HN 0.539 nan 8.360 nan 0.000 0.419 434 R N 1.435 121.950 120.500 0.024 0.000 2.740 434 R HA 0.431 4.771 4.340 -0.001 0.000 0.273 434 R C -0.549 175.656 176.300 -0.158 0.000 0.998 434 R CA -1.000 55.085 56.100 -0.025 0.000 0.900 434 R CB 1.039 31.316 30.300 -0.038 0.000 1.223 434 R HN 0.381 nan 8.270 nan 0.000 0.466 435 H N 2.028 120.952 119.070 -0.242 0.000 3.001 435 H HA -0.030 4.526 4.556 -0.001 0.000 0.334 435 H C 0.294 175.485 175.328 -0.229 0.000 1.034 435 H CA 0.752 56.551 56.048 -0.416 0.000 1.420 435 H CB 0.759 30.287 29.762 -0.391 0.000 1.405 435 H HN 0.727 nan 8.280 nan 0.000 0.593 436 N N 0.720 119.368 118.700 -0.088 0.000 2.187 436 N HA 0.087 4.826 4.740 -0.001 0.000 0.212 436 N C 1.253 176.731 175.510 -0.054 0.000 1.152 436 N CA 0.256 53.268 53.050 -0.063 0.000 0.872 436 N CB 0.828 39.277 38.487 -0.063 0.000 1.025 436 N HN 0.753 nan 8.380 nan 0.000 0.514 437 G N -0.021 108.737 108.800 -0.071 0.000 2.199 437 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.254 437 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.254 437 G C -0.114 174.747 174.900 -0.065 0.000 0.982 437 G CA 0.346 45.404 45.100 -0.069 0.000 0.632 437 G HN 0.621 nan 8.290 nan 0.000 0.529 438 K N 0.944 121.306 120.400 -0.063 0.000 2.183 438 K HA 0.495 4.815 4.320 -0.001 0.000 0.274 438 K C -0.076 176.496 176.600 -0.047 0.000 1.009 438 K CA -0.616 55.646 56.287 -0.042 0.000 0.888 438 K CB 0.461 32.947 32.500 -0.025 0.000 1.078 438 K HN 0.064 nan 8.250 nan 0.000 0.459 439 Q N 2.629 122.414 119.800 -0.026 0.000 2.256 439 Q HA 0.292 4.631 4.340 -0.001 0.000 0.254 439 Q C -0.528 175.488 176.000 0.026 0.000 0.916 439 Q CA -0.575 55.220 55.803 -0.013 0.000 0.932 439 Q CB 1.684 30.415 28.738 -0.011 0.000 1.207 439 Q HN 0.526 nan 8.270 nan 0.000 0.426 440 V N -0.422 119.525 119.914 0.055 0.000 2.962 440 V HA 0.656 4.775 4.120 -0.001 0.000 0.313 440 V C -2.715 173.474 176.094 0.158 0.000 1.099 440 V CA -3.048 59.319 62.300 0.113 0.000 0.971 440 V CB 1.834 33.740 31.823 0.137 0.000 1.028 440 V HN 0.475 nan 8.190 nan 0.000 0.430 441 P HA 0.074 nan 4.420 nan 0.000 0.262 441 P C -0.142 177.277 177.300 0.199 0.000 1.182 441 P CA 0.261 63.453 63.100 0.154 0.000 0.761 441 P CB 0.202 31.982 31.700 0.133 0.000 0.795 442 M N 4.363 124.045 119.600 0.136 0.000 2.307 442 M HA 0.035 4.514 4.480 -0.001 0.000 0.346 442 M C -0.006 176.266 176.300 -0.047 0.000 1.552 442 M CA 0.485 55.853 55.300 0.114 0.000 1.116 442 M CB -0.249 32.409 32.600 0.096 0.000 1.889 442 M HN 0.251 nan 8.290 nan 0.000 0.460 443 N N 3.942 122.415 118.700 -0.378 0.000 2.362 443 N HA 0.211 4.951 4.740 -0.001 0.000 0.298 443 N C 0.644 175.936 175.510 -0.364 0.000 1.048 443 N CA -0.399 52.318 53.050 -0.555 0.000 0.858 443 N CB 1.869 39.619 38.487 -1.228 0.000 1.218 443 N HN 0.651 nan 8.380 nan 0.000 0.488 444 V N 1.447 121.291 119.914 -0.116 0.000 3.078 444 V HA 0.004 4.124 4.120 -0.001 0.000 0.265 444 V C 1.208 177.132 176.094 -0.282 0.000 1.122 444 V CA 1.188 63.409 62.300 -0.131 0.000 1.141 444 V CB -1.206 30.553 31.823 -0.108 0.000 0.735 444 V HN 0.502 nan 8.190 nan 0.000 0.498 445 F N -1.056 118.733 119.950 -0.269 0.000 2.797 445 F HA 0.350 4.877 4.527 -0.001 0.000 0.302 445 F C 0.964 176.676 175.800 -0.146 0.000 1.130 445 F CA -0.315 57.505 58.000 -0.300 0.000 1.387 445 F CB 0.005 38.666 39.000 -0.565 0.000 1.107 445 F HN 0.145 nan 8.300 nan 0.000 0.577 446 Y N 0.608 120.862 120.300 -0.076 0.000 2.354 446 Y HA 0.213 4.762 4.550 -0.001 0.000 0.322 446 Y C 1.634 177.524 175.900 -0.017 0.000 1.253 446 Y CA -1.960 56.110 58.100 -0.050 0.000 1.272 446 Y CB 0.590 39.066 38.460 0.027 0.000 1.255 446 Y HN -0.162 nan 8.280 nan 0.000 0.500 447 K N 0.291 120.797 120.400 0.176 0.000 2.057 447 K HA -0.157 4.163 4.320 -0.001 0.000 0.207 447 K C 0.153 176.833 176.600 0.133 0.000 1.049 447 K CA 1.950 58.299 56.287 0.104 0.000 0.931 447 K CB 0.071 32.604 32.500 0.054 0.000 0.714 447 K HN 0.622 nan 8.250 nan 0.000 0.440 448 D N 0.497 121.025 120.400 0.213 0.000 2.340 448 D HA -0.001 4.639 4.640 -0.001 0.000 0.220 448 D C 0.119 176.485 176.300 0.110 0.000 1.039 448 D CA 0.214 54.320 54.000 0.176 0.000 0.866 448 D CB 0.386 41.322 40.800 0.227 0.000 0.913 448 D HN 0.026 nan 8.370 nan 0.000 0.523 449 S N 0.491 116.260 115.700 0.114 0.000 2.562 449 S HA 0.033 4.503 4.470 -0.001 0.000 0.281 449 S C 1.219 175.790 174.600 -0.050 0.000 1.333 449 S CA -0.629 57.603 58.200 0.053 0.000 1.052 449 S CB 0.636 63.864 63.200 0.046 0.000 0.884 449 S HN 0.084 nan 8.310 nan 0.000 0.506 450 L N 5.571 126.739 121.223 -0.091 0.000 2.083 450 L HA 0.285 4.625 4.340 -0.001 0.000 0.209 450 L C -0.219 176.327 176.870 -0.540 0.000 1.083 450 L CA 1.754 56.420 54.840 -0.290 0.000 0.752 450 L CB -0.300 41.586 42.059 -0.288 0.000 0.899 450 L HN 0.664 nan 8.230 nan 0.000 0.433 451 F N 0.311 120.108 119.950 -0.255 0.000 2.467 451 F HA 0.479 5.006 4.527 -0.001 0.000 0.336 451 F C 0.214 175.902 175.800 -0.188 0.000 1.123 451 F CA -0.701 57.137 58.000 -0.269 0.000 0.964 451 F CB 1.252 40.062 39.000 -0.317 0.000 1.136 451 F HN -0.278 nan 8.300 nan 0.000 0.447 452 K N 2.884 123.267 120.400 -0.027 0.000 2.316 452 K HA 0.640 4.960 4.320 -0.001 0.000 0.251 452 K C -0.756 175.859 176.600 0.024 0.000 0.934 452 K CA -1.076 55.180 56.287 -0.051 0.000 0.802 452 K CB 2.643 35.099 32.500 -0.074 0.000 1.171 452 K HN 0.484 nan 8.250 nan 0.000 0.426 453 V N -0.625 119.220 119.914 -0.115 0.000 3.185 453 V HA 0.195 4.315 4.120 -0.001 0.000 0.305 453 V C 0.287 176.484 176.094 0.171 0.000 1.090 453 V CA -0.518 61.720 62.300 -0.103 0.000 1.107 453 V CB 0.761 32.197 31.823 -0.644 0.000 1.061 453 V HN 0.705 nan 8.190 nan 0.000 0.480 454 T N 4.697 119.321 114.554 0.117 0.000 2.871 454 T HA 0.164 4.513 4.350 -0.001 0.000 0.296 454 T C -2.118 172.631 174.700 0.081 0.000 0.998 454 T CA 0.060 62.127 62.100 -0.054 0.000 1.162 454 T CB 0.235 68.879 68.868 -0.374 0.000 0.947 454 T HN 0.853 nan 8.240 nan 0.000 0.536 455 P HA 0.190 nan 4.420 nan 0.000 0.249 455 P C -0.311 176.993 177.300 0.006 0.000 1.737 455 P CA 0.114 63.256 63.100 0.070 0.000 1.128 455 P CB 0.037 31.779 31.700 0.069 0.000 1.942 456 T N 1.516 116.060 114.554 -0.016 0.000 2.754 456 T HA 0.318 4.668 4.350 -0.001 0.000 0.296 456 T C -1.099 173.474 174.700 -0.213 0.000 1.205 456 T CA -0.810 61.192 62.100 -0.163 0.000 1.009 456 T CB 1.061 69.748 68.868 -0.302 0.000 1.368 456 T HN 0.248 nan 8.240 nan 0.000 0.509 457 N N 1.288 119.817 118.700 -0.284 0.000 2.518 457 N HA 0.360 5.099 4.740 -0.001 0.000 0.283 457 N C -1.352 173.906 175.510 -0.419 0.000 1.119 457 N CA -0.182 52.750 53.050 -0.195 0.000 0.983 457 N CB 0.921 39.327 38.487 -0.135 0.000 1.139 457 N HN 0.591 nan 8.380 nan 0.000 0.465 458 Y N -0.227 120.084 120.300 0.019 0.000 2.633 458 Y HA 0.595 5.145 4.550 -0.001 0.000 0.339 458 Y C 0.130 176.024 175.900 -0.010 0.000 1.045 458 Y CA -1.120 57.010 58.100 0.050 0.000 1.098 458 Y CB 1.854 40.413 38.460 0.166 0.000 1.296 458 Y HN 0.292 nan 8.280 nan 0.000 0.494 459 I N 1.472 122.141 120.570 0.165 0.000 2.474 459 I HA 0.739 4.908 4.170 -0.001 0.000 0.294 459 I C -0.576 175.577 176.117 0.059 0.000 1.005 459 I CA -0.817 60.507 61.300 0.039 0.000 1.113 459 I CB 1.764 39.733 38.000 -0.052 0.000 1.289 459 I HN 0.673 nan 8.210 nan 0.000 0.436 460 A N 6.993 129.800 122.820 -0.021 0.000 2.384 460 A HA 0.972 5.291 4.320 -0.001 0.000 0.312 460 A C -0.659 176.895 177.584 -0.049 0.000 1.113 460 A CA -0.690 51.361 52.037 0.024 0.000 0.779 460 A CB 1.957 20.932 19.000 -0.042 0.000 1.307 460 A HN 0.804 nan 8.150 nan 0.000 0.436 461 M N 0.443 120.079 119.600 0.060 0.000 2.530 461 M HA 0.785 5.264 4.480 -0.001 0.000 0.307 461 M C -0.638 175.754 176.300 0.153 0.000 1.161 461 M CA -0.220 55.098 55.300 0.030 0.000 0.903 461 M CB 2.191 34.819 32.600 0.046 0.000 1.711 461 M HN 0.626 nan 8.290 nan 0.000 0.451 462 T N 0.948 115.574 114.554 0.119 0.000 2.916 462 T HA 0.863 5.212 4.350 -0.001 0.000 0.292 462 T C -0.875 174.025 174.700 0.333 0.000 1.064 462 T CA -0.157 62.079 62.100 0.227 0.000 1.011 462 T CB 1.865 70.846 68.868 0.189 0.000 1.152 462 T HN 0.993 nan 8.240 nan 0.000 0.510 463 T N -0.457 114.335 114.554 0.397 0.000 2.906 463 T HA 0.718 5.067 4.350 -0.001 0.000 0.295 463 T C -0.708 174.170 174.700 0.297 0.000 1.061 463 T CA -0.818 61.507 62.100 0.375 0.000 1.000 463 T CB 1.634 70.637 68.868 0.224 0.000 1.103 463 T HN 0.542 nan 8.240 nan 0.000 0.486 464 S N 0.393 116.110 115.700 0.027 0.000 2.502 464 S HA 0.377 4.846 4.470 -0.001 0.000 0.304 464 S C 0.194 174.684 174.600 -0.183 0.000 1.097 464 S CA -0.540 57.458 58.200 -0.337 0.000 1.045 464 S CB 1.771 64.328 63.200 -1.071 0.000 1.019 464 S HN 0.805 nan 8.310 nan 0.000 0.481 465 Q N 2.876 122.589 119.800 -0.145 0.000 2.319 465 Q HA 0.264 4.604 4.340 -0.001 0.000 0.202 465 Q C 0.094 176.019 176.000 -0.124 0.000 0.896 465 Q CA 0.566 56.312 55.803 -0.094 0.000 0.942 465 Q CB 0.075 28.784 28.738 -0.048 0.000 1.083 465 Q HN 0.774 nan 8.270 nan 0.000 0.510 466 N N -1.116 117.467 118.700 -0.196 0.000 2.451 466 N HA 0.163 4.902 4.740 -0.001 0.000 0.271 466 N C -1.050 174.292 175.510 -0.281 0.000 1.410 466 N CA -0.387 52.542 53.050 -0.202 0.000 0.884 466 N CB 0.160 38.541 38.487 -0.177 0.000 1.332 466 N HN 0.044 nan 8.380 nan 0.000 0.498 467 R N 0.210 120.544 120.500 -0.277 0.000 3.322 467 R HA -0.159 4.181 4.340 -0.001 0.000 0.253 467 R C 0.751 176.825 176.300 -0.376 0.000 0.987 467 R CA 0.695 56.631 56.100 -0.273 0.000 0.666 467 R CB -2.176 27.998 30.300 -0.210 0.000 1.072 467 R HN 0.669 nan 8.270 nan 0.000 0.447 468 G N -0.813 107.661 108.800 -0.544 0.000 2.157 468 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.239 468 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.239 468 G C 0.584 175.340 174.900 -0.239 0.000 0.982 468 G CA 0.419 45.235 45.100 -0.472 0.000 0.650 468 G HN 0.555 nan 8.290 nan 0.000 0.527 469 E N 0.054 120.071 120.200 -0.306 0.000 2.216 469 E HA 0.244 4.593 4.350 -0.001 0.000 0.192 469 E C 1.319 177.881 176.600 -0.064 0.000 0.988 469 E CA 1.042 57.398 56.400 -0.074 0.000 0.834 469 E CB 0.136 29.768 29.700 -0.113 0.000 0.772 469 E HN 0.834 nan 8.360 nan 0.000 0.479 470 S N -1.123 114.433 115.700 -0.239 0.000 2.570 470 S HA 0.507 4.977 4.470 -0.001 0.000 0.270 470 S C -1.813 172.574 174.600 -0.355 0.000 1.149 470 S CA -1.103 57.010 58.200 -0.145 0.000 0.837 470 S CB 0.711 63.894 63.200 -0.028 0.000 1.124 470 S HN 0.180 nan 8.310 nan 0.000 0.465 471 W N 0.999 122.351 121.300 0.086 0.000 2.702 471 W HA 0.550 5.210 4.660 -0.000 0.000 0.331 471 W C -0.016 176.548 176.519 0.074 0.000 1.049 471 W CA -0.470 56.923 57.345 0.081 0.000 1.230 471 W CB 1.317 30.829 29.460 0.086 0.000 1.408 471 W HN 0.577 nan 8.180 nan 0.000 0.492 472 E N 1.329 121.715 120.200 0.309 0.000 2.408 472 E HA -0.006 4.343 4.350 -0.001 0.000 0.259 472 E C -0.091 176.630 176.600 0.201 0.000 1.110 472 E CA -0.516 56.005 56.400 0.201 0.000 0.929 472 E CB 0.545 30.344 29.700 0.164 0.000 0.971 472 E HN 0.361 nan 8.360 nan 0.000 0.438 473 Q N 1.607 121.473 119.800 0.111 0.000 2.286 473 Q HA 0.021 4.360 4.340 -0.001 0.000 0.290 473 Q C -0.767 175.264 176.000 0.052 0.000 1.049 473 Q CA 0.073 55.892 55.803 0.027 0.000 0.923 473 Q CB -0.169 28.532 28.738 -0.062 0.000 1.183 473 Q HN 0.352 nan 8.270 nan 0.000 0.383 474 F N 1.445 121.453 119.950 0.097 0.000 2.444 474 F HA 0.489 5.016 4.527 -0.001 0.000 0.331 474 F C -0.155 175.784 175.800 0.232 0.000 1.167 474 F CA -0.619 57.442 58.000 0.100 0.000 1.262 474 F CB 0.646 39.636 39.000 -0.017 0.000 1.196 474 F HN 0.490 nan 8.300 nan 0.000 0.583 475 K N 3.570 124.249 120.400 0.464 0.000 2.427 475 K HA 0.467 4.787 4.320 -0.001 0.000 0.252 475 K C -1.159 175.727 176.600 0.477 0.000 0.931 475 K CA -0.795 55.775 56.287 0.470 0.000 0.793 475 K CB 1.488 34.169 32.500 0.301 0.000 1.211 475 K HN 0.864 nan 8.250 nan 0.000 0.426 476 L N 4.718 126.255 121.223 0.523 0.000 2.485 476 L HA 0.109 4.449 4.340 -0.001 0.000 0.275 476 L C 0.297 177.352 176.870 0.308 0.000 1.207 476 L CA -0.139 54.934 54.840 0.388 0.000 0.855 476 L CB 0.138 42.460 42.059 0.438 0.000 1.114 476 L HN 0.502 nan 8.230 nan 0.000 0.485 477 L N 4.672 126.012 121.223 0.195 0.000 2.395 477 L HA 0.356 4.695 4.340 -0.001 0.000 0.269 477 L C -1.755 175.025 176.870 -0.151 0.000 1.133 477 L CA -1.770 53.110 54.840 0.067 0.000 0.812 477 L CB 0.961 43.051 42.059 0.051 0.000 1.125 477 L HN 0.439 nan 8.230 nan 0.000 0.452 478 P HA 0.254 nan 4.420 nan 0.000 0.274 478 P C -2.695 173.871 177.300 -1.224 0.000 1.256 478 P CA -1.617 60.900 63.100 -0.972 0.000 0.795 478 P CB -0.251 31.023 31.700 -0.711 0.000 1.038 479 P HA 0.176 nan 4.420 nan 0.000 0.271 479 P C -0.244 176.457 177.300 -0.999 0.000 1.218 479 P CA 0.213 62.728 63.100 -0.974 0.000 0.780 479 P CB 0.125 31.270 31.700 -0.926 0.000 0.901 480 F N 0.212 119.981 119.950 -0.302 0.000 2.727 480 F HA 0.269 4.795 4.527 -0.001 0.000 0.302 480 F C 1.344 177.043 175.800 -0.169 0.000 1.107 480 F CA 0.423 58.311 58.000 -0.187 0.000 1.277 480 F CB 0.101 39.023 39.000 -0.130 0.000 1.079 480 F HN 0.086 nan 8.300 nan 0.000 0.594 481 L N -0.119 121.053 121.223 -0.085 0.000 3.066 481 L HA 0.572 4.912 4.340 -0.001 0.000 0.265 481 L C 0.457 177.256 176.870 -0.118 0.000 1.232 481 L CA -0.147 54.576 54.840 -0.194 0.000 1.031 481 L CB -0.032 41.679 42.059 -0.580 0.000 1.379 481 L HN 0.163 nan 8.230 nan 0.000 0.563 482 G N 0.400 109.162 108.800 -0.063 0.000 2.612 482 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.686 482 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.686 482 G C 0.178 175.104 174.900 0.044 0.000 1.274 482 G CA -0.115 45.008 45.100 0.040 0.000 0.849 482 G HN 0.235 nan 8.290 nan 0.000 0.595 483 E N -0.145 120.152 120.200 0.160 0.000 2.118 483 E HA -0.111 4.238 4.350 -0.001 0.000 0.195 483 E C 1.745 178.404 176.600 0.098 0.000 0.992 483 E CA 1.457 57.966 56.400 0.182 0.000 0.804 483 E CB -0.106 29.725 29.700 0.218 0.000 0.741 483 E HN 0.460 nan 8.360 nan 0.000 0.458 484 K N -0.500 119.951 120.400 0.086 0.000 2.498 484 K HA 0.107 4.427 4.320 -0.001 0.000 0.207 484 K C -0.645 175.985 176.600 0.049 0.000 1.033 484 K CA -0.147 56.170 56.287 0.049 0.000 1.138 484 K CB 0.455 32.981 32.500 0.045 0.000 0.860 484 K HN 0.088 nan 8.250 nan 0.000 0.490 485 H N 1.532 120.577 119.070 -0.042 0.000 2.505 485 H HA 0.139 4.694 4.556 -0.001 0.000 0.338 485 H C -0.179 175.083 175.328 -0.110 0.000 1.057 485 H CA -0.981 55.029 56.048 -0.064 0.000 1.202 485 H CB 0.722 30.452 29.762 -0.053 0.000 1.466 485 H HN 0.135 nan 8.280 nan 0.000 0.499 486 N N 2.956 121.496 118.700 -0.265 0.000 2.381 486 N HA 0.046 4.785 4.740 -0.001 0.000 0.241 486 N C 0.535 175.946 175.510 -0.164 0.000 1.279 486 N CA 0.089 52.997 53.050 -0.237 0.000 0.896 486 N CB 0.669 38.981 38.487 -0.291 0.000 1.118 486 N HN 0.685 nan 8.380 nan 0.000 0.438 487 G N -0.233 108.416 108.800 -0.252 0.000 2.630 487 G HA2 0.207 4.166 3.960 -0.001 0.000 0.236 487 G HA3 0.207 4.166 3.960 -0.001 0.000 0.236 487 G C 0.441 175.135 174.900 -0.343 0.000 1.248 487 G CA 0.098 45.060 45.100 -0.230 0.000 0.844 487 G HN 0.892 nan 8.290 nan 0.000 0.588 488 T N -1.552 112.853 114.554 -0.248 0.000 2.788 488 T HA 0.386 4.736 4.350 -0.001 0.000 0.287 488 T C -0.548 173.846 174.700 -0.510 0.000 1.007 488 T CA -0.259 61.638 62.100 -0.339 0.000 1.005 488 T CB 0.788 69.538 68.868 -0.198 0.000 1.012 488 T HN 0.296 nan 8.240 nan 0.000 0.530 489 Y N 0.460 120.483 120.300 -0.462 0.000 2.335 489 Y HA 0.488 5.038 4.550 -0.001 0.000 0.339 489 Y C 0.310 175.942 175.900 -0.446 0.000 0.987 489 Y CA -1.462 56.307 58.100 -0.551 0.000 1.140 489 Y CB 1.035 38.924 38.460 -0.951 0.000 1.173 489 Y HN 0.621 nan 8.280 nan 0.000 0.486 490 L N 3.818 125.015 121.223 -0.043 0.000 2.453 490 L HA 0.179 4.518 4.340 -0.001 0.000 0.272 490 L C -0.528 176.430 176.870 0.146 0.000 1.182 490 L CA 0.022 54.867 54.840 0.008 0.000 0.858 490 L CB 0.113 42.161 42.059 -0.018 0.000 1.120 490 L HN 0.744 nan 8.230 nan 0.000 0.474 491 C N 7.500 126.914 119.300 0.189 0.000 2.442 491 C HA 0.312 4.771 4.460 -0.001 0.000 0.362 491 C C -1.888 173.236 174.990 0.223 0.000 1.242 491 C CA -1.151 58.017 59.018 0.249 0.000 1.741 491 C CB -0.621 27.240 27.740 0.201 0.000 2.378 491 C HN 0.633 nan 8.230 nan 0.000 0.549 492 P HA 0.420 nan 4.420 nan 0.000 0.271 492 P C 0.605 178.034 177.300 0.216 0.000 1.218 492 P CA 1.062 64.291 63.100 0.216 0.000 0.780 492 P CB 0.970 32.823 31.700 0.255 0.000 0.901 493 G N 2.378 111.314 108.800 0.227 0.000 2.055 493 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.160 493 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.160 493 G C -1.273 173.801 174.900 0.290 0.000 1.087 493 G CA -0.503 44.742 45.100 0.242 0.000 1.269 493 G HN 0.557 nan 8.290 nan 0.000 0.461 494 Q N 0.471 120.449 119.800 0.297 0.000 2.342 494 Q HA 0.569 4.908 4.340 -0.001 0.000 0.267 494 Q C 0.359 176.483 176.000 0.207 0.000 1.038 494 Q CA -0.390 55.617 55.803 0.340 0.000 0.832 494 Q CB 2.244 31.222 28.738 0.400 0.000 1.323 494 Q HN 0.858 nan 8.270 nan 0.000 0.448 495 G N 0.702 109.500 108.800 -0.003 0.000 2.621 495 G HA2 0.423 4.382 3.960 -0.001 0.000 0.271 495 G HA3 0.423 4.382 3.960 -0.001 0.000 0.271 495 G C -1.243 173.590 174.900 -0.111 0.000 1.236 495 G CA -0.369 44.404 45.100 -0.544 0.000 0.958 495 G HN 0.385 nan 8.290 nan 0.000 0.512 496 L N 0.315 121.463 121.223 -0.125 0.000 2.333 496 L HA 0.728 5.068 4.340 -0.001 0.000 0.280 496 L C 0.193 177.092 176.870 0.049 0.000 1.004 496 L CA -0.746 54.126 54.840 0.054 0.000 0.820 496 L CB 1.464 43.581 42.059 0.097 0.000 1.247 496 L HN 0.613 nan 8.230 nan 0.000 0.416 497 A N 5.644 128.537 122.820 0.121 0.000 2.273 497 A HA 0.619 4.939 4.320 -0.001 0.000 0.320 497 A C -0.768 176.869 177.584 0.089 0.000 1.358 497 A CA -0.568 51.535 52.037 0.109 0.000 0.910 497 A CB -0.005 19.093 19.000 0.164 0.000 1.159 497 A HN 0.634 nan 8.150 nan 0.000 0.526 498 L N 2.525 123.784 121.223 0.061 0.000 2.490 498 L HA 0.080 4.419 4.340 -0.001 0.000 0.274 498 L C 1.697 178.590 176.870 0.038 0.000 1.201 498 L CA 0.617 55.482 54.840 0.042 0.000 0.869 498 L CB 0.166 42.239 42.059 0.022 0.000 1.123 498 L HN 0.766 nan 8.230 nan 0.000 0.484 499 K N 1.003 121.422 120.400 0.032 0.000 2.097 499 K HA -0.044 4.276 4.320 -0.001 0.000 0.205 499 K C 0.889 177.500 176.600 0.018 0.000 1.050 499 K CA 1.400 57.704 56.287 0.027 0.000 0.938 499 K CB 0.014 32.526 32.500 0.020 0.000 0.718 499 K HN 0.579 nan 8.250 nan 0.000 0.442 500 S N 0.566 116.272 115.700 0.010 0.000 2.574 500 S HA 0.084 4.554 4.470 -0.001 0.000 0.242 500 S C -0.079 174.522 174.600 0.002 0.000 0.982 500 S CA -0.426 57.776 58.200 0.004 0.000 0.977 500 S CB 0.451 63.649 63.200 -0.003 0.000 0.814 500 S HN 0.339 nan 8.310 nan 0.000 0.464 501 S N 0.488 116.192 115.700 0.006 0.000 2.752 501 S HA 0.392 4.861 4.470 -0.001 0.000 0.284 501 S C -0.508 174.098 174.600 0.010 0.000 1.189 501 S CA -0.902 57.301 58.200 0.004 0.000 0.835 501 S CB 0.537 63.735 63.200 -0.003 0.000 1.192 501 S HN 0.106 nan 8.310 nan 0.000 0.506 502 N N -0.328 118.375 118.700 0.004 0.000 2.322 502 N HA 0.195 4.934 4.740 -0.001 0.000 0.194 502 N C 0.251 175.762 175.510 0.001 0.000 1.126 502 N CA -0.253 52.799 53.050 0.004 0.000 0.845 502 N CB 0.135 38.619 38.487 -0.006 0.000 0.976 502 N HN 0.426 nan 8.380 nan 0.000 0.475 503 R N 1.547 122.051 120.500 0.006 0.000 2.442 503 R HA 0.232 4.572 4.340 -0.001 0.000 0.291 503 R C -0.928 175.391 176.300 0.032 0.000 1.069 503 R CA 0.090 56.196 56.100 0.010 0.000 1.022 503 R CB 0.351 30.660 30.300 0.014 0.000 0.976 503 R HN 0.086 nan 8.270 nan 0.000 0.443 504 L N 6.402 127.648 121.223 0.039 0.000 2.346 504 L HA 0.540 4.879 4.340 -0.001 0.000 0.276 504 L C -0.514 176.472 176.870 0.192 0.000 1.006 504 L CA -0.825 54.070 54.840 0.090 0.000 0.817 504 L CB 1.884 44.015 42.059 0.120 0.000 1.272 504 L HN 0.596 nan 8.230 nan 0.000 0.421 505 I N 2.255 122.902 120.570 0.127 0.000 2.499 505 I HA 0.395 4.564 4.170 -0.001 0.000 0.288 505 I C -1.188 174.929 176.117 0.000 0.000 1.048 505 I CA -0.297 61.125 61.300 0.203 0.000 1.062 505 I CB 2.138 40.261 38.000 0.205 0.000 1.238 505 I HN 0.319 nan 8.210 nan 0.000 0.426 506 F N 4.202 124.295 119.950 0.239 0.000 2.449 506 F HA 0.620 5.147 4.527 -0.001 0.000 0.342 506 F C 0.635 176.468 175.800 0.056 0.000 1.127 506 F CA -0.601 57.461 58.000 0.102 0.000 0.975 506 F CB 1.852 40.814 39.000 -0.064 0.000 1.146 506 F HN 0.452 nan 8.300 nan 0.000 0.444 507 A N 2.523 125.465 122.820 0.203 0.000 2.409 507 A HA 0.586 4.906 4.320 -0.001 0.000 0.262 507 A C 0.230 177.786 177.584 -0.047 0.000 1.113 507 A CA 0.012 52.027 52.037 -0.037 0.000 0.790 507 A CB 0.023 18.984 19.000 -0.065 0.000 1.046 507 A HN 0.773 nan 8.150 nan 0.000 0.496 508 T N -0.331 114.109 114.554 -0.190 0.000 2.907 508 T HA 0.759 5.108 4.350 -0.001 0.000 0.290 508 T C -0.630 174.002 174.700 -0.113 0.000 1.066 508 T CA -0.494 61.528 62.100 -0.129 0.000 1.012 508 T CB 1.295 70.053 68.868 -0.185 0.000 1.184 508 T HN 1.200 nan 8.240 nan 0.000 0.522 509 Y N -1.416 118.828 120.300 -0.093 0.000 2.576 509 Y HA 0.869 5.419 4.550 -0.001 0.000 0.346 509 Y C -0.186 175.735 175.900 0.035 0.000 1.018 509 Y CA -0.940 57.115 58.100 -0.075 0.000 1.050 509 Y CB 1.860 40.291 38.460 -0.048 0.000 1.280 509 Y HN 0.995 nan 8.280 nan 0.000 0.474 510 T N -0.009 114.643 114.554 0.163 0.000 2.645 510 T HA 0.338 4.688 4.350 -0.001 0.000 0.300 510 T C -1.098 173.738 174.700 0.226 0.000 1.210 510 T CA -0.627 61.574 62.100 0.168 0.000 1.034 510 T CB 1.227 70.172 68.868 0.129 0.000 1.537 510 T HN 0.875 nan 8.240 nan 0.000 0.492 511 S N 0.016 115.836 115.700 0.199 0.000 2.515 511 S HA 0.420 4.889 4.470 -0.001 0.000 0.285 511 S C 1.448 176.138 174.600 0.150 0.000 1.265 511 S CA 1.552 59.857 58.200 0.174 0.000 1.079 511 S CB -0.775 62.505 63.200 0.134 0.000 0.877 511 S HN 1.785 nan 8.310 nan 0.000 0.493 512 G N 3.337 112.225 108.800 0.147 0.000 2.176 512 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.253 512 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.253 512 G C -0.198 174.745 174.900 0.072 0.000 0.979 512 G CA 0.494 45.659 45.100 0.108 0.000 0.641 512 G HN 1.067 nan 8.290 nan 0.000 0.530 513 E N -0.944 119.292 120.200 0.060 0.000 2.416 513 E HA 0.643 4.992 4.350 -0.001 0.000 0.280 513 E C -0.855 175.686 176.600 -0.099 0.000 1.055 513 E CA -1.316 55.069 56.400 -0.026 0.000 0.825 513 E CB 0.683 30.360 29.700 -0.038 0.000 1.312 513 E HN 0.228 nan 8.360 nan 0.000 0.452 514 L N 1.249 122.312 121.223 -0.268 0.000 2.312 514 L HA 0.450 4.789 4.340 -0.001 0.000 0.281 514 L C -0.423 176.174 176.870 -0.454 0.000 1.070 514 L CA -0.600 53.959 54.840 -0.468 0.000 0.805 514 L CB 1.594 43.145 42.059 -0.848 0.000 1.174 514 L HN 0.643 nan 8.230 nan 0.000 0.434 515 T N 1.915 116.205 114.554 -0.439 0.000 2.977 515 T HA 0.364 4.714 4.350 -0.001 0.000 0.346 515 T C -0.594 173.896 174.700 -0.349 0.000 1.140 515 T CA -0.449 61.469 62.100 -0.304 0.000 1.040 515 T CB -0.073 68.675 68.868 -0.200 0.000 1.046 515 T HN 0.125 nan 8.240 nan 0.000 0.494 516 Y N 2.490 122.692 120.300 -0.163 0.000 2.377 516 Y HA 0.363 4.912 4.550 -0.001 0.000 0.330 516 Y C 0.617 176.472 175.900 -0.074 0.000 1.108 516 Y CA -0.951 57.098 58.100 -0.085 0.000 1.308 516 Y CB 0.409 38.871 38.460 0.002 0.000 1.216 516 Y HN 0.424 nan 8.280 nan 0.000 0.518 517 L N 5.805 127.076 121.223 0.080 0.000 2.272 517 L HA 0.488 4.828 4.340 -0.001 0.000 0.289 517 L C -0.560 176.563 176.870 0.422 0.000 1.032 517 L CA -0.330 54.524 54.840 0.023 0.000 0.810 517 L CB 0.735 42.599 42.059 -0.326 0.000 1.205 517 L HN 0.544 nan 8.230 nan 0.000 0.422 518 I N 2.367 123.188 120.570 0.417 0.000 2.378 518 I HA 0.349 4.519 4.170 -0.001 0.000 0.291 518 I C -0.036 176.219 176.117 0.230 0.000 0.992 518 I CA -0.121 61.384 61.300 0.342 0.000 1.154 518 I CB 2.075 40.195 38.000 0.199 0.000 1.315 518 I HN 0.512 nan 8.210 nan 0.000 0.448 519 S N 3.792 119.475 115.700 -0.028 0.000 2.521 519 S HA 0.396 4.866 4.470 -0.001 0.000 0.295 519 S C -0.355 174.126 174.600 -0.200 0.000 1.098 519 S CA -0.608 57.360 58.200 -0.387 0.000 0.999 519 S CB 1.267 63.743 63.200 -1.206 0.000 1.034 519 S HN 0.593 nan 8.310 nan 0.000 0.483 520 D N 2.095 122.402 120.400 -0.155 0.000 2.431 520 D HA 0.155 4.795 4.640 -0.001 0.000 0.213 520 D C -0.301 175.945 176.300 -0.090 0.000 1.130 520 D CA 0.191 54.139 54.000 -0.087 0.000 0.834 520 D CB 0.576 41.348 40.800 -0.045 0.000 0.985 520 D HN 0.720 nan 8.370 nan 0.000 0.504 521 D N -0.880 119.436 120.400 -0.141 0.000 2.895 521 D HA 0.093 4.732 4.640 -0.001 0.000 0.350 521 D C -0.128 176.106 176.300 -0.110 0.000 1.389 521 D CA -0.739 53.199 54.000 -0.103 0.000 0.812 521 D CB 0.057 40.806 40.800 -0.084 0.000 1.164 521 D HN -0.283 nan 8.370 nan 0.000 0.455 522 S N -0.480 115.156 115.700 -0.107 0.000 3.672 522 S HA -0.033 4.437 4.470 -0.001 0.000 0.319 522 S C 1.420 175.979 174.600 -0.069 0.000 1.151 522 S CA 0.844 59.011 58.200 -0.054 0.000 0.911 522 S CB -1.729 61.467 63.200 -0.006 0.000 0.939 522 S HN 1.491 nan 8.310 nan 0.000 0.524 523 G N -0.130 108.502 108.800 -0.281 0.000 2.143 523 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.249 523 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.249 523 G C 0.502 175.296 174.900 -0.177 0.000 0.981 523 G CA 0.813 45.694 45.100 -0.365 0.000 0.665 523 G HN 0.616 nan 8.290 nan 0.000 0.528 524 Q N -0.337 119.362 119.800 -0.169 0.000 2.083 524 Q HA 0.108 4.448 4.340 -0.001 0.000 0.198 524 Q C 1.531 177.509 176.000 -0.036 0.000 0.969 524 Q CA 1.598 57.380 55.803 -0.035 0.000 0.838 524 Q CB 0.123 28.848 28.738 -0.021 0.000 0.900 524 Q HN 0.819 nan 8.270 nan 0.000 0.436 525 T N -2.924 111.518 114.554 -0.186 0.000 2.900 525 T HA 0.537 4.886 4.350 -0.001 0.000 0.295 525 T C -1.468 173.082 174.700 -0.251 0.000 1.044 525 T CA -0.859 61.200 62.100 -0.067 0.000 0.995 525 T CB 1.205 70.082 68.868 0.015 0.000 1.072 525 T HN 0.147 nan 8.240 nan 0.000 0.473 526 W N 1.533 122.964 121.300 0.217 0.000 2.844 526 W HA 0.665 5.325 4.660 -0.001 0.000 0.340 526 W C -0.134 176.563 176.519 0.296 0.000 1.093 526 W CA -0.851 56.639 57.345 0.241 0.000 1.212 526 W CB 2.012 31.655 29.460 0.304 0.000 1.422 526 W HN 1.008 nan 8.180 nan 0.000 0.515 527 K N 1.070 121.704 120.400 0.389 0.000 2.395 527 K HA 0.806 5.126 4.320 -0.001 0.000 0.247 527 K C -0.951 175.728 176.600 0.131 0.000 0.973 527 K CA -1.243 55.221 56.287 0.294 0.000 0.828 527 K CB 2.078 34.695 32.500 0.195 0.000 1.272 527 K HN 0.388 nan 8.250 nan 0.000 0.439 528 K N -0.242 120.222 120.400 0.108 0.000 2.118 528 K HA 0.381 4.701 4.320 -0.001 0.000 0.254 528 K C -0.842 175.820 176.600 0.104 0.000 0.961 528 K CA -0.635 55.654 56.287 0.004 0.000 0.876 528 K CB 1.960 34.445 32.500 -0.024 0.000 1.077 528 K HN 0.467 nan 8.250 nan 0.000 0.440 529 S N 1.565 117.354 115.700 0.148 0.000 2.756 529 S HA 0.323 4.793 4.470 -0.001 0.000 0.303 529 S C -1.166 173.570 174.600 0.227 0.000 1.135 529 S CA -0.732 57.607 58.200 0.231 0.000 1.066 529 S CB 0.654 64.064 63.200 0.351 0.000 1.008 529 S HN 0.599 nan 8.310 nan 0.000 0.482 530 S N 3.436 119.223 115.700 0.145 0.000 2.537 530 S HA 0.717 5.187 4.470 -0.001 0.000 0.275 530 S C -0.135 174.524 174.600 0.097 0.000 1.272 530 S CA -0.527 57.712 58.200 0.064 0.000 1.050 530 S CB 1.278 64.495 63.200 0.028 0.000 0.961 530 S HN 0.965 nan 8.310 nan 0.000 0.496 531 A N 2.690 125.504 122.820 -0.010 0.000 2.363 531 A HA 0.605 4.924 4.320 -0.001 0.000 0.296 531 A C 0.132 177.685 177.584 -0.051 0.000 1.237 531 A CA -0.624 51.410 52.037 -0.004 0.000 0.773 531 A CB 0.860 19.782 19.000 -0.131 0.000 1.153 531 A HN 0.636 nan 8.150 nan 0.000 0.473 532 S N 2.160 117.864 115.700 0.006 0.000 2.552 532 S HA 0.393 4.863 4.470 -0.001 0.000 0.289 532 S C 0.233 174.827 174.600 -0.009 0.000 1.304 532 S CA 0.118 58.318 58.200 -0.000 0.000 1.063 532 S CB -0.449 62.761 63.200 0.016 0.000 0.848 532 S HN 0.966 nan 8.310 nan 0.000 0.499 533 I N 2.524 123.095 120.570 0.003 0.000 2.646 533 I HA 0.601 4.770 4.170 -0.001 0.000 0.299 533 I C -2.479 173.587 176.117 -0.086 0.000 1.036 533 I CA -2.882 58.438 61.300 0.034 0.000 1.074 533 I CB 2.383 40.518 38.000 0.224 0.000 1.258 533 I HN 0.340 nan 8.210 nan 0.000 0.430 534 P HA 0.306 nan 4.420 nan 0.000 0.220 534 P C -1.275 175.591 177.300 -0.724 0.000 1.778 534 P CA 0.229 63.048 63.100 -0.469 0.000 0.912 534 P CB -0.868 30.570 31.700 -0.438 0.000 1.861 535 F N -0.414 119.594 119.950 0.096 0.000 2.569 535 F HA 0.438 4.964 4.527 -0.001 0.000 0.312 535 F C 0.603 176.451 175.800 0.079 0.000 1.109 535 F CA -1.146 56.908 58.000 0.090 0.000 0.919 535 F CB 2.712 41.777 39.000 0.109 0.000 1.211 535 F HN -0.287 nan 8.300 nan 0.000 0.446 536 K N 1.905 122.454 120.400 0.248 0.000 2.156 536 K HA 0.333 4.653 4.320 -0.001 0.000 0.271 536 K C -0.001 176.706 176.600 0.178 0.000 0.995 536 K CA -0.284 56.108 56.287 0.175 0.000 0.890 536 K CB 0.521 33.094 32.500 0.122 0.000 1.073 536 K HN 0.819 nan 8.250 nan 0.000 0.454 537 N N 0.637 119.434 118.700 0.163 0.000 2.710 537 N HA -0.271 4.468 4.740 -0.001 0.000 0.249 537 N C -1.194 174.404 175.510 0.148 0.000 1.059 537 N CA 0.606 53.749 53.050 0.156 0.000 0.720 537 N CB -0.655 37.904 38.487 0.121 0.000 0.983 537 N HN 0.598 nan 8.380 nan 0.000 0.544 538 A N -0.374 122.534 122.820 0.147 0.000 2.293 538 A HA 0.537 4.857 4.320 -0.001 0.000 0.302 538 A C 0.649 178.218 177.584 -0.024 0.000 1.119 538 A CA -0.278 51.781 52.037 0.037 0.000 0.823 538 A CB 0.709 19.674 19.000 -0.058 0.000 1.097 538 A HN 0.180 nan 8.150 nan 0.000 0.491 539 T N 2.472 116.940 114.554 -0.143 0.000 3.455 539 T HA 0.370 4.720 4.350 -0.001 0.000 0.286 539 T C 0.551 174.865 174.700 -0.642 0.000 1.157 539 T CA 0.592 62.452 62.100 -0.400 0.000 1.090 539 T CB -0.325 68.465 68.868 -0.130 0.000 1.112 539 T HN 0.815 nan 8.240 nan 0.000 0.779 540 A N 3.492 125.761 122.820 -0.918 0.000 3.168 540 A HA 0.294 4.613 4.320 -0.001 0.000 0.260 540 A C 0.500 177.809 177.584 -0.458 0.000 1.598 540 A CA -0.628 51.145 52.037 -0.440 0.000 1.285 540 A CB -0.361 18.559 19.000 -0.134 0.000 1.149 540 A HN 0.700 nan 8.150 nan 0.000 0.630 541 E N 1.029 120.980 120.200 -0.415 0.000 2.415 541 E HA 0.349 4.698 4.350 -0.001 0.000 0.260 541 E C 0.234 176.848 176.600 0.024 0.000 1.016 541 E CA 0.335 56.652 56.400 -0.139 0.000 0.924 541 E CB 0.665 30.296 29.700 -0.115 0.000 0.961 541 E HN 0.620 nan 8.360 nan 0.000 0.459 542 A N 4.234 127.101 122.820 0.078 0.000 2.371 542 A HA 0.451 4.771 4.320 -0.001 0.000 0.311 542 A C -0.876 176.806 177.584 0.163 0.000 1.068 542 A CA -0.849 51.268 52.037 0.134 0.000 0.744 542 A CB 1.367 20.346 19.000 -0.036 0.000 1.239 542 A HN 0.449 nan 8.150 nan 0.000 0.435 543 Q N 1.230 121.172 119.800 0.236 0.000 2.372 543 Q HA 0.593 4.933 4.340 -0.001 0.000 0.273 543 Q C -1.142 175.046 176.000 0.314 0.000 1.078 543 Q CA -0.245 55.711 55.803 0.255 0.000 0.806 543 Q CB 2.295 31.176 28.738 0.239 0.000 1.332 543 Q HN 0.846 nan 8.270 nan 0.000 0.435 544 M N 1.532 121.301 119.600 0.281 0.000 2.508 544 M HA 0.650 5.130 4.480 -0.001 0.000 0.327 544 M C -0.160 176.300 176.300 0.266 0.000 1.160 544 M CA -1.096 54.367 55.300 0.271 0.000 0.980 544 M CB 2.212 34.965 32.600 0.256 0.000 1.693 544 M HN 0.404 nan 8.290 nan 0.000 0.452 545 V N -0.917 119.149 119.914 0.253 0.000 2.823 545 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 545 V C -0.964 175.219 176.094 0.148 0.000 1.072 545 V CA -0.735 61.699 62.300 0.224 0.000 0.937 545 V CB 1.901 33.909 31.823 0.308 0.000 1.013 545 V HN 0.949 nan 8.190 nan 0.000 0.430 546 E N 2.615 122.882 120.200 0.112 0.000 2.046 546 E HA 0.431 4.781 4.350 -0.001 0.000 0.279 546 E C 0.444 177.077 176.600 0.055 0.000 0.989 546 E CA -0.423 56.017 56.400 0.066 0.000 0.798 546 E CB 1.311 31.041 29.700 0.050 0.000 1.086 546 E HN 0.827 nan 8.360 nan 0.000 0.399 547 L N 4.339 125.586 121.223 0.040 0.000 2.056 547 L HA -0.039 4.301 4.340 -0.001 0.000 0.207 547 L C 1.201 178.076 176.870 0.008 0.000 1.078 547 L CA 1.124 55.980 54.840 0.027 0.000 0.749 547 L CB -0.356 41.709 42.059 0.009 0.000 0.901 547 L HN 0.527 nan 8.230 nan 0.000 0.433 548 R N -2.168 118.330 120.500 -0.003 0.000 2.747 548 R HA 0.293 4.632 4.340 -0.001 0.000 0.272 548 R C -1.417 174.873 176.300 -0.017 0.000 1.032 548 R CA -1.059 55.035 56.100 -0.010 0.000 0.896 548 R CB 0.450 30.739 30.300 -0.017 0.000 1.253 548 R HN -0.307 nan 8.270 nan 0.000 0.461 549 D N 0.808 121.197 120.400 -0.018 0.000 2.554 549 D HA 0.175 4.814 4.640 -0.001 0.000 0.251 549 D C 1.229 177.507 176.300 -0.037 0.000 1.213 549 D CA 2.401 56.388 54.000 -0.021 0.000 0.900 549 D CB 0.451 41.240 40.800 -0.019 0.000 1.135 549 D HN 0.830 nan 8.370 nan 0.000 0.522 550 G N 1.569 110.342 108.800 -0.044 0.000 2.184 550 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.264 550 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.264 550 G C 0.276 175.111 174.900 -0.108 0.000 0.975 550 G CA 0.157 45.213 45.100 -0.074 0.000 0.642 550 G HN 0.518 nan 8.290 nan 0.000 0.536 551 V N 1.851 121.715 119.914 -0.083 0.000 2.328 551 V HA 0.603 4.723 4.120 -0.001 0.000 0.278 551 V C 0.390 176.440 176.094 -0.073 0.000 1.021 551 V CA -0.542 61.700 62.300 -0.097 0.000 0.838 551 V CB 1.332 33.116 31.823 -0.065 0.000 0.999 551 V HN 0.318 nan 8.190 nan 0.000 0.447 552 I N 5.174 125.674 120.570 -0.117 0.000 2.378 552 I HA 0.564 4.734 4.170 -0.001 0.000 0.291 552 I C 0.101 176.241 176.117 0.039 0.000 0.992 552 I CA -0.566 60.719 61.300 -0.025 0.000 1.154 552 I CB 1.663 39.658 38.000 -0.009 0.000 1.315 552 I HN 0.498 nan 8.210 nan 0.000 0.448 553 R N 4.074 124.602 120.500 0.047 0.000 2.338 553 R HA 0.523 4.863 4.340 -0.001 0.000 0.317 553 R C -1.031 175.204 176.300 -0.109 0.000 0.968 553 R CA -0.253 55.820 56.100 -0.045 0.000 0.849 553 R CB 1.328 31.489 30.300 -0.232 0.000 1.128 553 R HN 0.600 nan 8.270 nan 0.000 0.448 554 T N 5.370 119.922 114.554 -0.004 0.000 2.771 554 T HA 0.388 4.737 4.350 -0.001 0.000 0.281 554 T C -0.881 173.809 174.700 -0.016 0.000 0.982 554 T CA -0.215 61.925 62.100 0.067 0.000 0.978 554 T CB 0.317 69.297 68.868 0.187 0.000 0.930 554 T HN 0.291 nan 8.240 nan 0.000 0.447 555 F N 4.366 124.525 119.950 0.349 0.000 2.420 555 F HA 0.678 5.204 4.527 -0.001 0.000 0.342 555 F C -0.019 175.965 175.800 0.308 0.000 1.113 555 F CA -1.422 56.754 58.000 0.293 0.000 1.059 555 F CB 0.809 39.909 39.000 0.165 0.000 1.128 555 F HN 0.564 nan 8.300 nan 0.000 0.475 556 F N 0.254 120.309 119.950 0.176 0.000 2.613 556 F HA 0.629 5.156 4.527 -0.001 0.000 0.310 556 F C -0.629 175.145 175.800 -0.043 0.000 1.085 556 F CA -1.604 56.414 58.000 0.031 0.000 0.945 556 F CB 1.313 40.297 39.000 -0.026 0.000 1.298 556 F HN 0.402 nan 8.300 nan 0.000 0.455 557 R N 1.646 122.145 120.500 -0.003 0.000 2.590 557 R HA 0.517 4.857 4.340 -0.001 0.000 0.274 557 R C -0.364 175.796 176.300 -0.233 0.000 1.061 557 R CA 0.724 56.727 56.100 -0.163 0.000 1.081 557 R CB 0.855 31.045 30.300 -0.183 0.000 0.984 557 R HN 1.083 nan 8.270 nan 0.000 0.448 558 T N -1.237 113.104 114.554 -0.354 0.000 2.626 558 T HA 0.251 4.600 4.350 -0.001 0.000 0.279 558 T C 0.594 175.002 174.700 -0.488 0.000 0.983 558 T CA -0.154 61.587 62.100 -0.599 0.000 1.059 558 T CB 1.452 69.943 68.868 -0.628 0.000 1.396 558 T HN 0.582 nan 8.240 nan 0.000 0.519 559 T N -2.159 112.062 114.554 -0.555 0.000 3.129 559 T HA 0.213 4.562 4.350 -0.001 0.000 0.267 559 T C 1.380 175.988 174.700 -0.153 0.000 1.018 559 T CA 0.495 62.434 62.100 -0.268 0.000 0.903 559 T CB -0.634 68.144 68.868 -0.150 0.000 1.067 559 T HN 0.862 nan 8.240 nan 0.000 0.549 560 T N -2.506 111.958 114.554 -0.150 0.000 3.040 560 T HA 0.471 4.821 4.350 -0.001 0.000 0.250 560 T C 1.977 176.584 174.700 -0.155 0.000 1.058 560 T CA 0.539 62.576 62.100 -0.105 0.000 0.988 560 T CB -0.257 68.548 68.868 -0.106 0.000 0.993 560 T HN 0.857 nan 8.240 nan 0.000 0.519 561 G N 1.278 109.966 108.800 -0.186 0.000 2.179 561 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.260 561 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.260 561 G C -0.111 174.691 174.900 -0.163 0.000 0.977 561 G CA 0.215 45.198 45.100 -0.196 0.000 0.641 561 G HN 0.673 nan 8.290 nan 0.000 0.533 562 K N -0.236 120.087 120.400 -0.128 0.000 2.371 562 K HA 0.617 4.937 4.320 -0.001 0.000 0.251 562 K C 0.180 176.775 176.600 -0.009 0.000 0.934 562 K CA -1.059 55.197 56.287 -0.052 0.000 0.798 562 K CB 2.049 34.542 32.500 -0.011 0.000 1.204 562 K HN 0.157 nan 8.250 nan 0.000 0.427 563 I N 2.422 122.966 120.570 -0.043 0.000 2.648 563 I HA 0.047 4.216 4.170 -0.001 0.000 0.284 563 I C 0.465 176.555 176.117 -0.045 0.000 1.153 563 I CA 0.162 61.412 61.300 -0.084 0.000 1.426 563 I CB 0.932 38.878 38.000 -0.091 0.000 1.381 563 I HN 0.638 nan 8.210 nan 0.000 0.571 564 A N 6.672 129.270 122.820 -0.371 0.000 2.288 564 A HA 0.844 5.164 4.320 -0.001 0.000 0.328 564 A C -1.037 176.324 177.584 -0.371 0.000 1.123 564 A CA -0.342 51.282 52.037 -0.687 0.000 0.861 564 A CB 1.104 19.295 19.000 -1.348 0.000 1.272 564 A HN 0.703 nan 8.150 nan 0.000 0.490 565 Y N -1.893 118.253 120.300 -0.256 0.000 2.597 565 Y HA 0.760 5.309 4.550 -0.001 0.000 0.340 565 Y C -0.847 175.143 175.900 0.148 0.000 1.097 565 Y CA -1.396 56.717 58.100 0.021 0.000 1.037 565 Y CB 1.210 39.637 38.460 -0.055 0.000 1.305 565 Y HN 0.926 nan 8.280 nan 0.000 0.463 566 M N 0.610 120.437 119.600 0.379 0.000 2.618 566 M HA 0.900 5.379 4.480 -0.001 0.000 0.281 566 M C -1.767 174.775 176.300 0.405 0.000 1.267 566 M CA -0.703 54.797 55.300 0.332 0.000 0.845 566 M CB 2.679 35.474 32.600 0.325 0.000 1.732 566 M HN 0.628 nan 8.290 nan 0.000 0.461 567 T N 0.869 115.633 114.554 0.350 0.000 2.876 567 T HA 0.571 4.920 4.350 -0.001 0.000 0.289 567 T C -1.163 173.516 174.700 -0.035 0.000 1.014 567 T CA -0.687 61.527 62.100 0.189 0.000 0.986 567 T CB 1.834 70.763 68.868 0.102 0.000 1.021 567 T HN 0.708 nan 8.240 nan 0.000 0.458 568 S N 1.190 116.616 115.700 -0.457 0.000 2.473 568 S HA 0.439 4.909 4.470 -0.001 0.000 0.307 568 S C 0.404 174.727 174.600 -0.463 0.000 1.094 568 S CA -0.835 56.855 58.200 -0.850 0.000 1.070 568 S CB 0.715 62.756 63.200 -1.931 0.000 1.019 568 S HN 0.658 nan 8.310 nan 0.000 0.480 569 R N 1.876 122.174 120.500 -0.338 0.000 2.468 569 R HA 0.203 4.542 4.340 -0.001 0.000 0.280 569 R C -0.635 175.545 176.300 -0.201 0.000 0.963 569 R CA 0.113 56.086 56.100 -0.212 0.000 1.083 569 R CB 0.171 30.390 30.300 -0.136 0.000 1.200 569 R HN 0.651 nan 8.270 nan 0.000 0.541 570 D N -1.330 118.908 120.400 -0.271 0.000 2.908 570 D HA 0.083 4.722 4.640 -0.001 0.000 0.361 570 D C -0.402 175.769 176.300 -0.216 0.000 1.416 570 D CA -0.647 53.229 54.000 -0.205 0.000 0.796 570 D CB 0.450 41.145 40.800 -0.176 0.000 1.185 570 D HN -0.182 nan 8.370 nan 0.000 0.451 571 S N -0.237 115.326 115.700 -0.229 0.000 3.641 571 S HA -0.018 4.452 4.470 -0.001 0.000 0.346 571 S C 1.469 175.947 174.600 -0.204 0.000 1.074 571 S CA 1.035 59.129 58.200 -0.178 0.000 1.026 571 S CB -1.572 61.571 63.200 -0.095 0.000 0.908 571 S HN 1.450 nan 8.310 nan 0.000 0.479 572 G N -0.263 108.282 108.800 -0.424 0.000 2.175 572 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.244 572 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.244 572 G C 0.611 175.380 174.900 -0.218 0.000 0.982 572 G CA 0.505 45.368 45.100 -0.395 0.000 0.641 572 G HN 0.516 nan 8.290 nan 0.000 0.527 573 E N 0.410 120.471 120.200 -0.232 0.000 2.051 573 E HA -0.002 4.348 4.350 -0.001 0.000 0.192 573 E C 1.680 178.221 176.600 -0.099 0.000 0.991 573 E CA 1.881 58.221 56.400 -0.101 0.000 0.799 573 E CB -0.218 29.429 29.700 -0.089 0.000 0.748 573 E HN 0.905 nan 8.360 nan 0.000 0.449 574 T N -2.826 111.552 114.554 -0.293 0.000 2.906 574 T HA 0.548 4.898 4.350 -0.001 0.000 0.295 574 T C -1.208 173.192 174.700 -0.499 0.000 1.075 574 T CA -0.926 61.059 62.100 -0.192 0.000 1.005 574 T CB 1.451 70.263 68.868 -0.092 0.000 1.136 574 T HN 0.051 nan 8.240 nan 0.000 0.498 575 W N 1.050 122.334 121.300 -0.026 0.000 2.915 575 W HA 0.605 5.265 4.660 -0.001 0.000 0.337 575 W C 0.589 177.108 176.519 0.001 0.000 1.102 575 W CA -0.723 56.609 57.345 -0.021 0.000 1.224 575 W CB 2.051 31.515 29.460 0.006 0.000 1.416 575 W HN 1.043 nan 8.180 nan 0.000 0.503 576 S N 1.359 117.196 115.700 0.228 0.000 2.606 576 S HA 0.394 4.864 4.470 -0.001 0.000 0.257 576 S C 0.355 175.038 174.600 0.139 0.000 1.327 576 S CA -0.444 57.841 58.200 0.141 0.000 0.984 576 S CB 0.751 64.020 63.200 0.116 0.000 0.941 576 S HN 0.466 nan 8.310 nan 0.000 0.576 577 K N -0.447 119.998 120.400 0.075 0.000 2.136 577 K HA 0.391 4.710 4.320 -0.001 0.000 0.237 577 K C -0.722 175.882 176.600 0.006 0.000 1.048 577 K CA -0.520 55.791 56.287 0.040 0.000 0.880 577 K CB 0.231 32.740 32.500 0.014 0.000 1.105 577 K HN 0.419 nan 8.250 nan 0.000 0.507 578 V N 1.595 121.483 119.914 -0.044 0.000 2.439 578 V HA 0.171 4.290 4.120 -0.001 0.000 0.282 578 V C -0.226 175.645 176.094 -0.370 0.000 1.039 578 V CA -0.188 62.020 62.300 -0.153 0.000 0.913 578 V CB 1.418 33.199 31.823 -0.070 0.000 0.983 578 V HN 0.705 nan 8.190 nan 0.000 0.460 579 S N 3.083 118.377 115.700 -0.677 0.000 2.726 579 S HA 0.820 5.290 4.470 -0.001 0.000 0.308 579 S C -1.419 172.576 174.600 -1.008 0.000 1.115 579 S CA -0.510 57.231 58.200 -0.763 0.000 0.965 579 S CB 1.581 64.281 63.200 -0.834 0.000 1.145 579 S HN 0.528 nan 8.310 nan 0.000 0.532 580 Y N 0.045 120.202 120.300 -0.239 0.000 2.512 580 Y HA 0.532 5.082 4.550 -0.001 0.000 0.348 580 Y C -0.167 175.850 175.900 0.196 0.000 0.990 580 Y CA -0.848 57.234 58.100 -0.030 0.000 1.033 580 Y CB 0.899 39.342 38.460 -0.028 0.000 1.259 580 Y HN 0.420 nan 8.280 nan 0.000 0.461 581 I N 3.796 124.590 120.570 0.372 0.000 2.416 581 I HA 0.125 4.294 4.170 -0.001 0.000 0.288 581 I C -0.507 175.702 176.117 0.153 0.000 1.051 581 I CA -0.171 61.304 61.300 0.293 0.000 1.375 581 I CB 0.421 38.471 38.000 0.084 0.000 1.407 581 I HN 0.536 nan 8.210 nan 0.000 0.516 582 D N 4.669 125.170 120.400 0.167 0.000 2.225 582 D HA 0.387 5.026 4.640 -0.001 0.000 0.249 582 D C 0.976 177.314 176.300 0.064 0.000 1.052 582 D CA 0.338 54.395 54.000 0.095 0.000 0.909 582 D CB 1.920 42.786 40.800 0.109 0.000 1.186 582 D HN 0.861 nan 8.370 nan 0.000 0.431 583 G N 0.884 109.694 108.800 0.016 0.000 2.213 583 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.226 583 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.226 583 G C 0.200 175.088 174.900 -0.020 0.000 0.992 583 G CA -0.285 44.819 45.100 0.006 0.000 0.632 583 G HN 0.480 nan 8.290 nan 0.000 0.511 584 I N 1.150 121.680 120.570 -0.067 0.000 2.465 584 I HA 0.449 4.619 4.170 -0.001 0.000 0.291 584 I C 0.019 176.069 176.117 -0.111 0.000 1.014 584 I CA -0.714 60.522 61.300 -0.106 0.000 1.093 584 I CB 1.919 39.801 38.000 -0.196 0.000 1.267 584 I HN 0.037 nan 8.210 nan 0.000 0.431 585 Q N 5.588 125.318 119.800 -0.117 0.000 2.282 585 Q HA 0.526 4.866 4.340 -0.001 0.000 0.260 585 Q C -1.029 174.878 176.000 -0.156 0.000 0.964 585 Q CA -0.689 55.037 55.803 -0.128 0.000 0.880 585 Q CB 2.651 31.318 28.738 -0.118 0.000 1.286 585 Q HN 0.543 nan 8.270 nan 0.000 0.445 586 Q N 0.271 119.959 119.800 -0.186 0.000 2.495 586 Q HA 0.417 4.757 4.340 -0.001 0.000 0.283 586 Q C -0.392 175.419 176.000 -0.314 0.000 1.097 586 Q CA -0.716 54.939 55.803 -0.247 0.000 0.836 586 Q CB 2.052 30.633 28.738 -0.261 0.000 1.426 586 Q HN 0.745 nan 8.270 nan 0.000 0.459 587 T N -2.046 112.220 114.554 -0.480 0.000 2.788 587 T HA 0.046 4.395 4.350 -0.001 0.000 0.287 587 T C 1.381 175.709 174.700 -0.620 0.000 1.007 587 T CA 0.057 61.768 62.100 -0.648 0.000 1.005 587 T CB 0.717 68.836 68.868 -1.249 0.000 1.012 587 T HN 0.728 nan 8.240 nan 0.000 0.530 588 S N 0.765 116.168 115.700 -0.495 0.000 2.383 588 S HA -0.227 4.242 4.470 -0.001 0.000 0.229 588 S C 1.904 176.309 174.600 -0.325 0.000 1.030 588 S CA 1.424 59.443 58.200 -0.303 0.000 1.002 588 S CB -1.268 61.852 63.200 -0.133 0.000 0.829 588 S HN 0.941 nan 8.310 nan 0.000 0.467 589 Y N 1.387 121.459 120.300 -0.380 0.000 2.475 589 Y HA 0.502 5.051 4.550 -0.001 0.000 0.289 589 Y C 1.305 176.926 175.900 -0.464 0.000 1.121 589 Y CA -0.702 57.094 58.100 -0.506 0.000 1.257 589 Y CB -1.128 36.716 38.460 -1.028 0.000 1.026 589 Y HN 0.520 nan 8.280 nan 0.000 0.555 590 G N 0.183 108.578 108.800 -0.675 0.000 2.795 590 G HA2 0.046 4.006 3.960 -0.001 0.000 0.664 590 G HA3 0.046 4.006 3.960 -0.001 0.000 0.664 590 G C -0.736 174.003 174.900 -0.268 0.000 1.381 590 G CA -0.338 44.505 45.100 -0.428 0.000 0.853 590 G HN 0.513 nan 8.290 nan 0.000 0.545 591 T N 0.372 114.795 114.554 -0.218 0.000 2.923 591 T HA 0.502 4.851 4.350 -0.001 0.000 0.311 591 T C -0.011 174.503 174.700 -0.310 0.000 1.183 591 T CA -0.358 61.636 62.100 -0.175 0.000 1.020 591 T CB 1.914 70.724 68.868 -0.097 0.000 1.165 591 T HN 0.877 nan 8.240 nan 0.000 0.482 592 Q N 1.597 121.016 119.800 -0.637 0.000 2.304 592 Q HA 0.223 4.563 4.340 -0.001 0.000 0.301 592 Q C -0.796 175.031 176.000 -0.288 0.000 1.063 592 Q CA 0.210 55.664 55.803 -0.583 0.000 0.947 592 Q CB 0.624 28.715 28.738 -1.077 0.000 1.201 592 Q HN 0.553 nan 8.270 nan 0.000 0.389 593 V N 4.043 123.872 119.914 -0.141 0.000 2.448 593 V HA 0.458 4.578 4.120 -0.001 0.000 0.295 593 V C -0.589 175.514 176.094 0.015 0.000 1.025 593 V CA -0.194 62.070 62.300 -0.059 0.000 0.859 593 V CB 1.875 33.663 31.823 -0.058 0.000 0.988 593 V HN 0.917 nan 8.190 nan 0.000 0.431 594 S N 5.671 121.394 115.700 0.038 0.000 2.617 594 S HA 0.954 5.424 4.470 -0.001 0.000 0.283 594 S C -0.261 174.387 174.600 0.079 0.000 1.189 594 S CA -0.138 58.118 58.200 0.094 0.000 1.036 594 S CB 1.843 65.118 63.200 0.125 0.000 1.014 594 S HN 1.921 nan 8.310 nan 0.000 0.522 595 A N 1.639 124.539 122.820 0.133 0.000 2.517 595 A HA 0.742 5.062 4.320 -0.001 0.000 0.297 595 A C -0.704 176.988 177.584 0.179 0.000 1.050 595 A CA -0.996 51.120 52.037 0.133 0.000 0.694 595 A CB 0.851 19.972 19.000 0.202 0.000 1.277 595 A HN 1.432 nan 8.150 nan 0.000 0.400 596 I N -1.453 119.213 120.570 0.160 0.000 2.969 596 I HA 0.822 4.991 4.170 -0.001 0.000 0.307 596 I C -0.712 175.514 176.117 0.182 0.000 1.149 596 I CA -1.164 60.236 61.300 0.167 0.000 1.008 596 I CB 2.270 40.361 38.000 0.151 0.000 1.232 596 I HN 0.451 nan 8.210 nan 0.000 0.435 597 K N 3.387 123.887 120.400 0.167 0.000 2.264 597 K HA 0.320 4.640 4.320 -0.001 0.000 0.277 597 K C -1.307 175.397 176.600 0.174 0.000 1.067 597 K CA -0.337 56.045 56.287 0.158 0.000 0.900 597 K CB 0.369 32.941 32.500 0.119 0.000 1.124 597 K HN 0.554 nan 8.250 nan 0.000 0.469 598 Y N 3.032 123.359 120.300 0.045 0.000 2.411 598 Y HA 0.035 4.585 4.550 -0.001 0.000 0.333 598 Y C 1.411 177.325 175.900 0.023 0.000 1.186 598 Y CA 0.502 58.624 58.100 0.037 0.000 1.381 598 Y CB 1.093 39.566 38.460 0.022 0.000 1.273 598 Y HN 0.831 nan 8.280 nan 0.000 0.546 599 S N 2.380 117.786 115.700 -0.489 0.000 2.461 599 S HA 0.035 4.504 4.470 -0.001 0.000 0.228 599 S C 0.182 174.552 174.600 -0.384 0.000 1.005 599 S CA 0.233 58.230 58.200 -0.340 0.000 0.942 599 S CB -0.040 63.019 63.200 -0.236 0.000 0.776 599 S HN 0.666 nan 8.310 nan 0.000 0.514 600 Q N 0.796 120.214 119.800 -0.637 0.000 2.257 600 Q HA 0.537 4.876 4.340 -0.001 0.000 0.262 600 Q C -0.451 175.522 176.000 -0.045 0.000 0.997 600 Q CA -0.587 55.008 55.803 -0.346 0.000 0.873 600 Q CB 1.571 30.063 28.738 -0.409 0.000 1.312 600 Q HN 0.365 nan 8.270 nan 0.000 0.450 601 L N 1.674 122.882 121.223 -0.024 0.000 2.439 601 L HA 0.370 4.709 4.340 -0.001 0.000 0.269 601 L C 0.183 177.093 176.870 0.067 0.000 1.179 601 L CA -0.048 54.809 54.840 0.028 0.000 0.828 601 L CB 0.208 42.266 42.059 -0.001 0.000 1.106 601 L HN 0.403 nan 8.230 nan 0.000 0.467 602 I N 2.068 122.681 120.570 0.071 0.000 2.466 602 I HA 0.209 4.378 4.170 -0.001 0.000 0.289 602 I C -0.535 175.616 176.117 0.056 0.000 1.026 602 I CA -0.562 60.771 61.300 0.056 0.000 1.078 602 I CB 1.772 39.803 38.000 0.051 0.000 1.249 602 I HN 0.618 nan 8.210 nan 0.000 0.429 603 D N 4.965 125.395 120.400 0.050 0.000 2.751 603 D HA -0.202 4.438 4.640 -0.001 0.000 0.233 603 D C 1.135 177.452 176.300 0.028 0.000 1.149 603 D CA 1.686 55.717 54.000 0.052 0.000 0.682 603 D CB -1.088 39.767 40.800 0.091 0.000 1.068 603 D HN 1.166 nan 8.370 nan 0.000 0.429 604 G N -0.817 107.993 108.800 0.018 0.000 2.155 604 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.257 604 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.257 604 G C 0.245 175.147 174.900 0.003 0.000 0.983 604 G CA 0.965 46.068 45.100 0.006 0.000 0.676 604 G HN 0.538 nan 8.290 nan 0.000 0.528 605 K N 0.097 120.503 120.400 0.010 0.000 2.395 605 K HA 0.486 4.806 4.320 -0.001 0.000 0.247 605 K C -0.023 176.583 176.600 0.010 0.000 0.973 605 K CA -0.965 55.322 56.287 0.000 0.000 0.828 605 K CB 1.661 34.155 32.500 -0.010 0.000 1.272 605 K HN 0.207 nan 8.250 nan 0.000 0.439 606 E N 0.866 121.066 120.200 -0.001 0.000 2.392 606 E HA 0.259 4.609 4.350 -0.001 0.000 0.264 606 E C -0.727 175.883 176.600 0.017 0.000 1.024 606 E CA -0.160 56.247 56.400 0.012 0.000 0.903 606 E CB 1.221 30.921 29.700 -0.000 0.000 0.963 606 E HN 0.545 nan 8.360 nan 0.000 0.432 607 A N 2.397 125.256 122.820 0.065 0.000 2.386 607 A HA 0.573 4.893 4.320 -0.001 0.000 0.311 607 A C -0.782 176.858 177.584 0.093 0.000 1.068 607 A CA -0.678 51.399 52.037 0.067 0.000 0.743 607 A CB 1.535 20.600 19.000 0.108 0.000 1.258 607 A HN 0.332 nan 8.150 nan 0.000 0.429 608 V N 2.503 122.445 119.914 0.046 0.000 2.680 608 V HA 0.512 4.632 4.120 -0.001 0.000 0.309 608 V C -0.567 175.600 176.094 0.122 0.000 1.052 608 V CA -0.306 62.057 62.300 0.105 0.000 0.908 608 V CB 1.710 33.603 31.823 0.118 0.000 1.001 608 V HN 0.738 nan 8.190 nan 0.000 0.431 609 I N 5.050 125.687 120.570 0.111 0.000 2.436 609 I HA 0.473 4.643 4.170 -0.001 0.000 0.289 609 I C -0.708 175.417 176.117 0.014 0.000 1.010 609 I CA -0.394 60.941 61.300 0.060 0.000 1.098 609 I CB 1.692 39.690 38.000 -0.003 0.000 1.266 609 I HN 0.285 nan 8.210 nan 0.000 0.434 610 L N 4.566 125.746 121.223 -0.072 0.000 2.325 610 L HA 0.537 4.877 4.340 -0.001 0.000 0.278 610 L C 0.015 176.804 176.870 -0.135 0.000 1.023 610 L CA -0.463 54.256 54.840 -0.202 0.000 0.811 610 L CB 1.994 43.757 42.059 -0.493 0.000 1.249 610 L HN 0.555 nan 8.230 nan 0.000 0.431 611 S N 1.411 117.067 115.700 -0.073 0.000 2.561 611 S HA 0.715 5.185 4.470 -0.001 0.000 0.303 611 S C -0.760 173.858 174.600 0.031 0.000 1.110 611 S CA -0.304 57.899 58.200 0.005 0.000 1.034 611 S CB 1.440 64.708 63.200 0.113 0.000 1.010 611 S HN 0.736 nan 8.310 nan 0.000 0.482 612 T N 4.772 119.342 114.554 0.026 0.000 2.893 612 T HA 0.539 4.888 4.350 -0.001 0.000 0.337 612 T C -3.238 171.459 174.700 -0.006 0.000 1.587 612 T CA -1.135 60.982 62.100 0.029 0.000 1.066 612 T CB 1.664 70.468 68.868 -0.108 0.000 1.414 612 T HN 0.450 nan 8.240 nan 0.000 0.488 613 P HA 0.244 nan 4.420 nan 0.000 0.269 613 P C -0.935 176.304 177.300 -0.102 0.000 1.209 613 P CA -0.214 62.886 63.100 0.001 0.000 0.776 613 P CB 0.399 32.142 31.700 0.071 0.000 0.876 614 N N 1.239 119.861 118.700 -0.129 0.000 2.800 614 N HA 0.304 5.044 4.740 -0.001 0.000 0.240 614 N C -1.497 173.946 175.510 -0.111 0.000 1.096 614 N CA -0.158 52.818 53.050 -0.123 0.000 0.877 614 N CB -0.110 38.309 38.487 -0.114 0.000 1.138 614 N HN 0.301 nan 8.380 nan 0.000 0.509 615 S N 1.759 117.390 115.700 -0.114 0.000 2.542 615 S HA 0.310 4.779 4.470 -0.001 0.000 0.276 615 S C 0.470 174.991 174.600 -0.132 0.000 1.148 615 S CA -0.746 57.393 58.200 -0.103 0.000 0.886 615 S CB 0.761 63.916 63.200 -0.074 0.000 1.109 615 S HN 0.614 nan 8.310 nan 0.000 0.458 616 R N 1.916 122.345 120.500 -0.118 0.000 2.317 616 R HA 0.331 4.671 4.340 -0.001 0.000 0.208 616 R C 0.811 177.036 176.300 -0.125 0.000 0.914 616 R CA 0.707 56.724 56.100 -0.138 0.000 1.060 616 R CB -0.200 30.032 30.300 -0.113 0.000 1.015 616 R HN 0.360 nan 8.270 nan 0.000 0.498 617 S N -0.151 115.498 115.700 -0.085 0.000 2.452 617 S HA 0.316 4.785 4.470 -0.001 0.000 0.225 617 S C 0.832 175.428 174.600 -0.007 0.000 1.057 617 S CA 0.398 58.576 58.200 -0.036 0.000 0.949 617 S CB 0.737 63.931 63.200 -0.009 0.000 0.836 617 S HN 0.595 nan 8.310 nan 0.000 0.518 618 G N 0.379 109.172 108.800 -0.011 0.000 2.749 618 G HA2 0.535 4.494 3.960 -0.001 0.000 0.300 618 G HA3 0.535 4.494 3.960 -0.001 0.000 0.300 618 G C -1.544 173.371 174.900 0.025 0.000 1.352 618 G CA -1.033 44.102 45.100 0.058 0.000 0.789 618 G HN 0.066 nan 8.290 nan 0.000 0.509 619 R N 1.122 121.676 120.500 0.090 0.000 2.870 619 R HA 0.316 4.656 4.340 -0.001 0.000 0.254 619 R C -0.025 176.328 176.300 0.090 0.000 1.392 619 R CA -0.039 56.108 56.100 0.078 0.000 1.322 619 R CB -0.008 30.356 30.300 0.106 0.000 1.205 619 R HN 0.595 nan 8.270 nan 0.000 0.597 620 K N -1.671 118.774 120.400 0.075 0.000 2.507 620 K HA 0.527 4.846 4.320 -0.001 0.000 0.284 620 K C -0.096 176.515 176.600 0.020 0.000 1.038 620 K CA -0.789 55.548 56.287 0.084 0.000 0.903 620 K CB 1.133 33.679 32.500 0.075 0.000 1.531 620 K HN 0.194 nan 8.250 nan 0.000 0.430 621 G N -0.057 108.732 108.800 -0.019 0.000 2.298 621 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.287 621 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.287 621 G C 0.357 175.111 174.900 -0.242 0.000 1.075 621 G CA -0.110 44.920 45.100 -0.116 0.000 0.960 621 G HN 0.943 nan 8.290 nan 0.000 0.502 622 G N -0.787 107.764 108.800 -0.414 0.000 2.380 622 G HA2 0.480 4.440 3.960 -0.001 0.000 0.242 622 G HA3 0.480 4.440 3.960 -0.001 0.000 0.242 622 G C 0.066 174.468 174.900 -0.830 0.000 1.298 622 G CA 0.102 44.526 45.100 -1.127 0.000 0.878 622 G HN 0.666 nan 8.290 nan 0.000 0.542 623 Q N 0.410 119.811 119.800 -0.667 0.000 2.421 623 Q HA 0.445 4.785 4.340 -0.001 0.000 0.280 623 Q C -0.834 175.020 176.000 -0.242 0.000 1.085 623 Q CA -0.817 54.772 55.803 -0.357 0.000 0.807 623 Q CB 2.821 31.442 28.738 -0.196 0.000 1.405 623 Q HN 0.403 nan 8.270 nan 0.000 0.419 624 L N 1.933 123.114 121.223 -0.071 0.000 2.296 624 L HA 0.559 4.899 4.340 -0.001 0.000 0.286 624 L C -0.757 176.073 176.870 -0.065 0.000 1.023 624 L CA -0.955 53.863 54.840 -0.037 0.000 0.812 624 L CB 1.487 43.565 42.059 0.032 0.000 1.223 624 L HN 0.303 nan 8.230 nan 0.000 0.421 625 V N 4.381 124.204 119.914 -0.152 0.000 2.384 625 V HA 0.323 4.442 4.120 -0.001 0.000 0.287 625 V C 0.124 176.218 176.094 0.001 0.000 1.020 625 V CA -0.677 61.484 62.300 -0.231 0.000 0.850 625 V CB 2.060 33.571 31.823 -0.521 0.000 0.987 625 V HN 0.408 nan 8.190 nan 0.000 0.436 626 V N 4.227 124.191 119.914 0.084 0.000 2.383 626 V HA 0.697 4.817 4.120 -0.001 0.000 0.275 626 V C 0.808 177.024 176.094 0.204 0.000 1.036 626 V CA -0.101 62.291 62.300 0.153 0.000 0.889 626 V CB 1.412 33.326 31.823 0.151 0.000 0.985 626 V HN 0.969 nan 8.190 nan 0.000 0.459 627 G N 5.097 113.952 108.800 0.093 0.000 2.470 627 G HA2 0.683 4.642 3.960 -0.001 0.000 0.320 627 G HA3 0.683 4.642 3.960 -0.001 0.000 0.320 627 G C -0.971 173.756 174.900 -0.289 0.000 1.245 627 G CA -0.677 44.209 45.100 -0.357 0.000 0.935 627 G HN 0.605 nan 8.290 nan 0.000 0.476 628 L N 2.494 123.553 121.223 -0.273 0.000 2.282 628 L HA 0.346 4.685 4.340 -0.001 0.000 0.288 628 L C 0.060 176.803 176.870 -0.212 0.000 1.033 628 L CA -1.065 53.675 54.840 -0.167 0.000 0.807 628 L CB 1.747 43.752 42.059 -0.089 0.000 1.209 628 L HN 0.129 nan 8.230 nan 0.000 0.423 629 V N 2.753 122.576 119.914 -0.151 0.000 2.555 629 V HA 0.036 4.156 4.120 -0.001 0.000 0.286 629 V C 0.545 176.580 176.094 -0.099 0.000 1.044 629 V CA -0.387 61.832 62.300 -0.135 0.000 1.026 629 V CB 1.051 32.824 31.823 -0.084 0.000 0.981 629 V HN 0.690 nan 8.190 nan 0.000 0.480 630 N N 4.817 123.457 118.700 -0.100 0.000 2.411 630 N HA 0.110 4.849 4.740 -0.001 0.000 0.259 630 N C 0.940 176.421 175.510 -0.049 0.000 1.103 630 N CA -0.224 52.785 53.050 -0.068 0.000 0.954 630 N CB 1.047 39.495 38.487 -0.064 0.000 1.085 630 N HN 0.468 nan 8.380 nan 0.000 0.485 631 K N 2.534 122.911 120.400 -0.038 0.000 2.283 631 K HA -0.120 4.200 4.320 -0.001 0.000 0.202 631 K C 1.155 177.740 176.600 -0.025 0.000 1.048 631 K CA 0.637 56.907 56.287 -0.030 0.000 0.948 631 K CB 0.221 32.706 32.500 -0.025 0.000 0.742 631 K HN 0.699 nan 8.250 nan 0.000 0.458 632 E N 1.064 121.250 120.200 -0.024 0.000 2.072 632 E HA -0.165 4.185 4.350 -0.001 0.000 0.190 632 E C 0.379 176.970 176.600 -0.015 0.000 0.982 632 E CA 1.545 57.934 56.400 -0.018 0.000 0.803 632 E CB 0.317 30.008 29.700 -0.016 0.000 0.755 632 E HN 0.321 nan 8.360 nan 0.000 0.453 633 D N -1.954 118.436 120.400 -0.017 0.000 2.563 633 D HA -0.002 4.637 4.640 -0.001 0.000 0.256 633 D C -0.298 175.995 176.300 -0.012 0.000 1.400 633 D CA 0.052 54.046 54.000 -0.010 0.000 0.800 633 D CB 0.008 40.808 40.800 -0.000 0.000 1.145 633 D HN -0.002 nan 8.370 nan 0.000 0.501 634 D N 0.391 120.774 120.400 -0.027 0.000 3.077 634 D HA -0.172 4.468 4.640 -0.001 0.000 0.217 634 D C 0.032 176.300 176.300 -0.053 0.000 1.162 634 D CA 1.321 55.299 54.000 -0.037 0.000 0.943 634 D CB -1.823 38.963 40.800 -0.023 0.000 1.122 634 D HN 0.558 nan 8.370 nan 0.000 0.413 635 S N -0.193 115.475 115.700 -0.053 0.000 2.600 635 S HA 0.518 4.988 4.470 -0.001 0.000 0.265 635 S C 0.424 174.920 174.600 -0.173 0.000 1.325 635 S CA -0.469 57.685 58.200 -0.077 0.000 1.002 635 S CB 1.716 64.895 63.200 -0.036 0.000 0.921 635 S HN 0.263 nan 8.310 nan 0.000 0.554 636 I N 1.188 121.590 120.570 -0.279 0.000 2.466 636 I HA 0.274 4.443 4.170 -0.001 0.000 0.289 636 I C -0.954 174.785 176.117 -0.630 0.000 1.026 636 I CA -0.634 60.340 61.300 -0.543 0.000 1.078 636 I CB 1.900 39.371 38.000 -0.882 0.000 1.249 636 I HN 0.656 nan 8.210 nan 0.000 0.429 637 D N 6.464 126.572 120.400 -0.487 0.000 2.380 637 D HA 0.155 4.795 4.640 -0.001 0.000 0.230 637 D C -0.959 175.110 176.300 -0.385 0.000 1.154 637 D CA -0.229 53.571 54.000 -0.333 0.000 0.859 637 D CB 0.419 41.108 40.800 -0.184 0.000 1.045 637 D HN 0.211 nan 8.370 nan 0.000 0.495 638 W N 4.805 126.074 121.300 -0.052 0.000 2.510 638 W HA 0.220 4.880 4.660 -0.001 0.000 0.388 638 W C 1.668 178.137 176.519 -0.083 0.000 1.092 638 W CA -0.664 56.629 57.345 -0.087 0.000 1.562 638 W CB 0.597 30.012 29.460 -0.075 0.000 1.603 638 W HN 0.443 nan 8.180 nan 0.000 0.396 639 K N 1.565 121.955 120.400 -0.016 0.000 2.202 639 K HA 0.018 4.337 4.320 -0.001 0.000 0.201 639 K C -0.390 175.970 176.600 -0.401 0.000 1.051 639 K CA 0.755 56.873 56.287 -0.282 0.000 0.977 639 K CB 0.213 32.405 32.500 -0.512 0.000 0.792 639 K HN 0.258 nan 8.250 nan 0.000 0.469 640 Y N -0.082 120.267 120.300 0.083 0.000 2.376 640 Y HA 0.314 4.863 4.550 -0.001 0.000 0.340 640 Y C -1.042 174.870 175.900 0.020 0.000 0.965 640 Y CA -1.085 57.068 58.100 0.088 0.000 1.078 640 Y CB 1.676 40.154 38.460 0.030 0.000 1.193 640 Y HN -0.023 nan 8.280 nan 0.000 0.452 641 H N 1.872 121.040 119.070 0.164 0.000 2.685 641 H HA 0.224 4.779 4.556 -0.001 0.000 0.307 641 H C -1.547 173.827 175.328 0.078 0.000 1.017 641 H CA -0.945 55.147 56.048 0.072 0.000 1.237 641 H CB 0.620 30.377 29.762 -0.009 0.000 1.409 641 H HN 0.630 nan 8.280 nan 0.000 0.488 642 Y N 4.216 124.529 120.300 0.021 0.000 2.367 642 Y HA 0.171 4.720 4.550 -0.001 0.000 0.342 642 Y C -0.464 175.391 175.900 -0.074 0.000 0.979 642 Y CA -1.284 56.799 58.100 -0.028 0.000 1.161 642 Y CB 0.598 39.019 38.460 -0.065 0.000 1.155 642 Y HN 0.589 nan 8.280 nan 0.000 0.503 643 D N 7.087 127.060 120.400 -0.711 0.000 2.338 643 D HA 0.010 4.650 4.640 -0.001 0.000 0.255 643 D C 1.287 177.036 176.300 -0.919 0.000 1.237 643 D CA -0.020 53.595 54.000 -0.642 0.000 0.883 643 D CB 1.137 41.701 40.800 -0.394 0.000 1.087 643 D HN 0.543 nan 8.370 nan 0.000 0.485 644 I N 0.659 120.888 120.570 -0.568 0.000 2.226 644 I HA -0.168 4.002 4.170 -0.001 0.000 0.245 644 I C 0.936 177.033 176.117 -0.034 0.000 1.100 644 I CA 1.599 62.752 61.300 -0.244 0.000 1.374 644 I CB -0.504 37.270 38.000 -0.377 0.000 1.057 644 I HN 0.504 nan 8.210 nan 0.000 0.413 645 D N -1.846 118.467 120.400 -0.144 0.000 2.851 645 D HA 0.295 4.934 4.640 -0.001 0.000 0.339 645 D C -0.663 175.541 176.300 -0.161 0.000 1.347 645 D CA -0.609 53.355 54.000 -0.059 0.000 0.888 645 D CB 0.680 41.435 40.800 -0.074 0.000 1.431 645 D HN -0.201 nan 8.370 nan 0.000 0.509 646 L N 1.490 122.574 121.223 -0.232 0.000 2.529 646 L HA 0.109 4.448 4.340 -0.001 0.000 0.287 646 L C -1.234 175.537 176.870 -0.166 0.000 1.241 646 L CA -0.953 53.717 54.840 -0.283 0.000 0.857 646 L CB -0.087 41.622 42.059 -0.583 0.000 1.113 646 L HN 0.368 nan 8.230 nan 0.000 0.504 647 P HA -0.182 nan 4.420 nan 0.000 0.217 647 P C 1.304 178.590 177.300 -0.022 0.000 1.148 647 P CA 1.459 64.508 63.100 -0.085 0.000 0.828 647 P CB 0.148 31.801 31.700 -0.079 0.000 0.783 648 S N -4.267 111.438 115.700 0.009 0.000 2.548 648 S HA 0.036 4.505 4.470 -0.001 0.000 0.215 648 S C 0.541 175.313 174.600 0.287 0.000 0.976 648 S CA -0.153 58.119 58.200 0.119 0.000 0.908 648 S CB -0.701 62.575 63.200 0.127 0.000 0.781 648 S HN -0.062 nan 8.310 nan 0.000 0.519 649 Y N 2.753 123.045 120.300 -0.014 0.000 2.299 649 Y HA 0.644 5.194 4.550 -0.001 0.000 0.326 649 Y C 1.294 177.198 175.900 0.006 0.000 1.164 649 Y CA -1.542 56.547 58.100 -0.019 0.000 1.234 649 Y CB 0.092 38.508 38.460 -0.074 0.000 1.219 649 Y HN 0.208 nan 8.280 nan 0.000 0.497 650 G N 1.667 110.548 108.800 0.135 0.000 2.432 650 G HA2 0.206 4.165 3.960 -0.001 0.000 0.239 650 G HA3 0.206 4.165 3.960 -0.001 0.000 0.239 650 G C -1.779 173.256 174.900 0.225 0.000 1.291 650 G CA 0.078 45.257 45.100 0.133 0.000 0.863 650 G HN 0.616 nan 8.290 nan 0.000 0.560 651 Y N 1.423 121.751 120.300 0.047 0.000 2.275 651 Y HA 0.484 5.033 4.550 -0.001 0.000 0.319 651 Y C 0.140 176.073 175.900 0.055 0.000 1.204 651 Y CA -0.182 57.965 58.100 0.079 0.000 1.136 651 Y CB 0.840 39.290 38.460 -0.017 0.000 1.228 651 Y HN 0.838 nan 8.280 nan 0.000 0.413 652 A N 3.533 126.307 122.820 -0.076 0.000 3.324 652 A HA 0.495 4.814 4.320 -0.001 0.000 0.196 652 A C -1.185 176.430 177.584 0.053 0.000 1.506 652 A CA -0.171 51.884 52.037 0.029 0.000 1.687 652 A CB -0.201 18.786 19.000 -0.022 0.000 1.570 652 A HN 0.551 nan 8.150 nan 0.000 0.533 653 Y N 1.330 121.577 120.300 -0.088 0.000 2.578 653 Y HA 0.382 4.932 4.550 -0.001 0.000 0.339 653 Y C 1.119 176.989 175.900 -0.050 0.000 1.231 653 Y CA 0.407 58.489 58.100 -0.030 0.000 1.461 653 Y CB 0.458 38.926 38.460 0.015 0.000 1.323 653 Y HN 0.617 nan 8.280 nan 0.000 0.590 654 S N 0.775 116.547 115.700 0.120 0.000 2.579 654 S HA 0.951 5.420 4.470 -0.001 0.000 0.272 654 S C -1.304 173.403 174.600 0.179 0.000 1.141 654 S CA -0.713 57.565 58.200 0.131 0.000 0.843 654 S CB 1.909 65.159 63.200 0.083 0.000 1.122 654 S HN 0.938 nan 8.310 nan 0.000 0.468 655 A N 1.488 124.441 122.820 0.223 0.000 2.374 655 A HA 0.841 5.161 4.320 -0.001 0.000 0.305 655 A C -0.519 177.211 177.584 0.244 0.000 1.053 655 A CA -0.959 51.217 52.037 0.232 0.000 0.726 655 A CB 0.717 19.867 19.000 0.251 0.000 1.229 655 A HN 1.549 nan 8.150 nan 0.000 0.431 656 I N -1.005 119.696 120.570 0.217 0.000 2.730 656 I HA 0.915 5.084 4.170 -0.001 0.000 0.298 656 I C -0.564 175.674 176.117 0.203 0.000 1.089 656 I CA -0.515 60.908 61.300 0.205 0.000 1.041 656 I CB 2.463 40.557 38.000 0.156 0.000 1.235 656 I HN 0.488 nan 8.210 nan 0.000 0.423 657 T N 2.453 117.135 114.554 0.214 0.000 2.923 657 T HA 0.219 4.569 4.350 -0.001 0.000 0.311 657 T C -1.315 173.504 174.700 0.199 0.000 1.183 657 T CA -0.478 61.734 62.100 0.185 0.000 1.020 657 T CB 1.918 70.901 68.868 0.192 0.000 1.165 657 T HN 0.848 nan 8.240 nan 0.000 0.482 658 E N 4.121 124.429 120.200 0.181 0.000 2.166 658 E HA 0.296 4.645 4.350 -0.001 0.000 0.279 658 E C -0.125 176.571 176.600 0.160 0.000 1.095 658 E CA -0.323 56.212 56.400 0.225 0.000 0.888 658 E CB 0.311 30.155 29.700 0.239 0.000 1.041 658 E HN 0.497 nan 8.360 nan 0.000 0.414 659 L N 6.218 127.550 121.223 0.183 0.000 2.467 659 L HA 0.077 4.417 4.340 -0.001 0.000 0.270 659 L C -1.450 175.425 176.870 0.008 0.000 1.205 659 L CA -1.457 53.453 54.840 0.116 0.000 0.828 659 L CB 0.169 42.314 42.059 0.143 0.000 1.101 659 L HN 0.522 nan 8.230 nan 0.000 0.479 660 P HA -0.181 nan 4.420 nan 0.000 0.217 660 P C 0.629 177.730 177.300 -0.331 0.000 1.148 660 P CA 1.282 64.288 63.100 -0.155 0.000 0.834 660 P CB -0.078 31.556 31.700 -0.110 0.000 0.783 661 N N -1.909 116.650 118.700 -0.234 0.000 2.449 661 N HA -0.127 4.612 4.740 -0.001 0.000 0.191 661 N C 0.162 175.624 175.510 -0.079 0.000 1.161 661 N CA 0.220 53.137 53.050 -0.222 0.000 0.863 661 N CB -1.253 37.140 38.487 -0.157 0.000 0.980 661 N HN 0.243 nan 8.380 nan 0.000 0.458 662 H N -2.546 116.618 119.070 0.157 0.000 3.415 662 H HA -0.184 4.372 4.556 -0.001 0.000 0.213 662 H C -0.419 175.117 175.328 0.346 0.000 1.091 662 H CA 0.978 57.157 56.048 0.217 0.000 1.182 662 H CB -2.553 27.292 29.762 0.138 0.000 1.160 662 H HN 0.601 nan 8.280 nan 0.000 0.319 663 H N 0.513 119.694 119.070 0.185 0.000 2.671 663 H HA 0.239 4.794 4.556 -0.001 0.000 0.372 663 H C 1.061 176.484 175.328 0.158 0.000 1.227 663 H CA -0.322 55.810 56.048 0.140 0.000 1.426 663 H CB 1.065 30.887 29.762 0.100 0.000 1.480 663 H HN -0.029 nan 8.280 nan 0.000 0.611 664 I N 1.433 122.120 120.570 0.195 0.000 2.354 664 I HA 0.165 4.335 4.170 -0.001 0.000 0.292 664 I C 0.861 177.068 176.117 0.150 0.000 0.989 664 I CA -0.153 61.235 61.300 0.146 0.000 1.188 664 I CB 1.100 39.113 38.000 0.021 0.000 1.342 664 I HN 0.579 nan 8.210 nan 0.000 0.457 665 G N 5.722 114.646 108.800 0.206 0.000 2.343 665 G HA2 0.572 4.532 3.960 -0.001 0.000 0.319 665 G HA3 0.572 4.532 3.960 -0.001 0.000 0.319 665 G C -0.836 174.156 174.900 0.152 0.000 1.126 665 G CA -0.280 44.933 45.100 0.188 0.000 0.889 665 G HN 0.343 nan 8.290 nan 0.000 0.457 666 V N 3.204 123.113 119.914 -0.009 0.000 2.483 666 V HA 0.428 4.547 4.120 -0.001 0.000 0.297 666 V C -0.686 175.588 176.094 0.301 0.000 1.027 666 V CA -0.821 61.598 62.300 0.199 0.000 0.855 666 V CB 1.417 33.383 31.823 0.240 0.000 0.995 666 V HN 0.649 nan 8.190 nan 0.000 0.424 667 L N 7.440 128.900 121.223 0.394 0.000 2.305 667 L HA 0.868 5.208 4.340 -0.001 0.000 0.284 667 L C -0.861 176.209 176.870 0.334 0.000 1.013 667 L CA -0.164 54.886 54.840 0.350 0.000 0.819 667 L CB 0.997 43.229 42.059 0.287 0.000 1.227 667 L HN 0.629 nan 8.230 nan 0.000 0.417 668 F N 1.019 121.012 119.950 0.072 0.000 2.631 668 F HA 0.592 5.118 4.527 -0.001 0.000 0.308 668 F C -0.604 175.164 175.800 -0.054 0.000 1.097 668 F CA -1.016 56.944 58.000 -0.067 0.000 0.952 668 F CB 1.136 39.970 39.000 -0.277 0.000 1.307 668 F HN 0.405 nan 8.300 nan 0.000 0.450 669 E N 2.214 122.433 120.200 0.033 0.000 2.081 669 E HA 0.045 4.394 4.350 -0.001 0.000 0.270 669 E C -0.467 176.198 176.600 0.108 0.000 1.180 669 E CA -0.153 56.291 56.400 0.074 0.000 0.926 669 E CB 0.680 30.432 29.700 0.086 0.000 1.035 669 E HN 0.468 nan 8.360 nan 0.000 0.418 670 K N 5.259 125.676 120.400 0.029 0.000 2.737 670 K HA 0.062 4.382 4.320 -0.001 0.000 0.251 670 K C -1.309 175.411 176.600 0.200 0.000 1.280 670 K CA 0.003 56.357 56.287 0.112 0.000 1.219 670 K CB -0.260 32.156 32.500 -0.139 0.000 1.587 670 K HN 0.503 nan 8.250 nan 0.000 0.279 671 Y N -2.648 117.651 120.300 -0.001 0.000 2.774 671 Y HA 0.181 4.730 4.550 -0.001 0.000 0.346 671 Y C -1.666 174.262 175.900 0.046 0.000 1.222 671 Y CA -1.535 56.561 58.100 -0.005 0.000 1.088 671 Y CB 0.670 39.107 38.460 -0.039 0.000 1.354 671 Y HN -0.056 nan 8.280 nan 0.000 0.455 672 D N 1.891 122.208 120.400 -0.138 0.000 2.422 672 D HA 0.149 4.789 4.640 -0.001 0.000 0.227 672 D C 0.660 176.698 176.300 -0.437 0.000 1.190 672 D CA 0.579 54.468 54.000 -0.185 0.000 0.905 672 D CB 1.102 41.922 40.800 0.032 0.000 1.034 672 D HN 0.676 nan 8.370 nan 0.000 0.507 673 S N 3.028 118.318 115.700 -0.683 0.000 2.650 673 S HA -0.034 4.436 4.470 -0.001 0.000 0.219 673 S C 1.424 175.955 174.600 -0.115 0.000 0.960 673 S CA -0.571 57.262 58.200 -0.612 0.000 0.925 673 S CB -0.167 62.674 63.200 -0.599 0.000 0.775 673 S HN 0.673 nan 8.310 nan 0.000 0.525 674 W N 1.984 123.162 121.300 -0.203 0.000 2.699 674 W HA 0.360 5.020 4.660 -0.001 0.000 0.265 674 W C 0.559 176.971 176.519 -0.178 0.000 1.210 674 W CA 0.118 57.341 57.345 -0.204 0.000 1.414 674 W CB -0.170 29.132 29.460 -0.264 0.000 1.043 674 W HN 0.364 nan 8.180 nan 0.000 0.599 675 S N 2.414 118.148 115.700 0.057 0.000 2.546 675 S HA -0.004 4.465 4.470 -0.001 0.000 0.290 675 S C 1.114 175.661 174.600 -0.089 0.000 1.290 675 S CA -0.044 58.165 58.200 0.015 0.000 1.069 675 S CB 0.709 63.950 63.200 0.067 0.000 0.846 675 S HN 0.127 nan 8.310 nan 0.000 0.495 676 R N 3.637 124.069 120.500 -0.112 0.000 2.323 676 R HA 0.053 4.393 4.340 -0.001 0.000 0.198 676 R C 1.163 177.418 176.300 -0.075 0.000 0.988 676 R CA 0.494 56.519 56.100 -0.125 0.000 1.041 676 R CB -1.278 28.951 30.300 -0.118 0.000 0.926 676 R HN 0.707 nan 8.270 nan 0.000 0.476 677 N N 0.977 119.656 118.700 -0.034 0.000 2.373 677 N HA -0.036 4.703 4.740 -0.001 0.000 0.181 677 N C 0.200 175.707 175.510 -0.006 0.000 1.082 677 N CA 0.478 53.521 53.050 -0.011 0.000 0.885 677 N CB 0.511 39.008 38.487 0.017 0.000 0.977 677 N HN 0.197 nan 8.380 nan 0.000 0.462 678 E N -0.059 120.141 120.200 -0.001 0.000 2.685 678 E HA 0.140 4.490 4.350 -0.001 0.000 0.208 678 E C -0.473 176.123 176.600 -0.007 0.000 0.996 678 E CA -0.209 56.222 56.400 0.053 0.000 1.054 678 E CB 0.683 30.500 29.700 0.196 0.000 1.075 678 E HN 0.310 nan 8.360 nan 0.000 0.460 679 L N 0.820 121.913 121.223 -0.216 0.000 2.461 679 L HA 0.135 4.475 4.340 -0.001 0.000 0.272 679 L C 0.217 176.747 176.870 -0.568 0.000 1.197 679 L CA 0.157 54.642 54.840 -0.592 0.000 0.836 679 L CB -0.401 41.006 42.059 -1.086 0.000 1.105 679 L HN 0.409 nan 8.230 nan 0.000 0.477 680 H N 0.598 119.451 119.070 -0.361 0.000 2.748 680 H HA -0.129 4.427 4.556 -0.001 0.000 0.322 680 H C -1.040 174.247 175.328 -0.069 0.000 1.208 680 H CA -0.311 55.428 56.048 -0.515 0.000 1.151 680 H CB -1.849 27.658 29.762 -0.425 0.000 1.505 680 H HN 0.311 nan 8.280 nan 0.000 0.429 681 L N 0.506 121.704 121.223 -0.043 0.000 2.309 681 L HA 0.492 4.832 4.340 -0.001 0.000 0.282 681 L C 0.520 177.435 176.870 0.074 0.000 1.036 681 L CA -0.625 54.205 54.840 -0.017 0.000 0.806 681 L CB 1.870 43.761 42.059 -0.280 0.000 1.220 681 L HN 0.153 nan 8.230 nan 0.000 0.429 682 S N 1.613 117.355 115.700 0.070 0.000 2.585 682 S HA 0.254 4.724 4.470 -0.001 0.000 0.277 682 S C 0.164 174.760 174.600 -0.007 0.000 1.241 682 S CA -0.468 57.724 58.200 -0.013 0.000 1.041 682 S CB 0.799 63.957 63.200 -0.070 0.000 0.987 682 S HN 0.749 nan 8.310 nan 0.000 0.512 683 N N 0.322 119.040 118.700 0.031 0.000 2.740 683 N HA -0.129 4.610 4.740 -0.001 0.000 0.248 683 N C 0.458 175.939 175.510 -0.049 0.000 1.062 683 N CA 0.976 54.046 53.050 0.033 0.000 0.704 683 N CB -1.800 36.726 38.487 0.066 0.000 0.968 683 N HN 0.514 nan 8.380 nan 0.000 0.547 684 V N -4.714 115.146 119.914 -0.091 0.000 3.621 684 V HA 0.245 4.364 4.120 -0.001 0.000 0.263 684 V C 0.990 176.998 176.094 -0.142 0.000 1.272 684 V CA 0.096 62.302 62.300 -0.155 0.000 1.080 684 V CB 0.640 32.308 31.823 -0.259 0.000 0.816 684 V HN 0.022 nan 8.190 nan 0.000 0.451 685 V N 3.084 122.951 119.914 -0.079 0.000 2.405 685 V HA 0.345 4.465 4.120 -0.001 0.000 0.264 685 V C -0.058 175.926 176.094 -0.184 0.000 1.048 685 V CA 0.361 62.594 62.300 -0.110 0.000 0.966 685 V CB 0.021 31.847 31.823 0.005 0.000 1.015 685 V HN 0.645 nan 8.190 nan 0.000 0.477 686 Q N 3.347 122.917 119.800 -0.384 0.000 2.413 686 Q HA 0.548 4.887 4.340 -0.001 0.000 0.276 686 Q C -1.522 174.386 176.000 -0.154 0.000 1.099 686 Q CA -0.854 54.789 55.803 -0.266 0.000 0.814 686 Q CB 3.205 31.719 28.738 -0.373 0.000 1.379 686 Q HN 0.714 nan 8.270 nan 0.000 0.436 687 Y N 2.482 122.789 120.300 0.010 0.000 2.352 687 Y HA 0.653 5.203 4.550 -0.000 0.000 0.339 687 Y C -0.999 175.069 175.900 0.281 0.000 0.992 687 Y CA -0.824 57.352 58.100 0.126 0.000 1.100 687 Y CB 0.898 39.349 38.460 -0.016 0.000 1.192 687 Y HN 0.601 nan 8.280 nan 0.000 0.458 688 I N 2.420 122.843 120.570 -0.246 0.000 2.934 688 I HA 0.562 4.732 4.170 -0.001 0.000 0.306 688 I C -1.622 174.292 176.117 -0.338 0.000 1.110 688 I CA -1.003 60.237 61.300 -0.099 0.000 1.019 688 I CB 2.474 40.635 38.000 0.269 0.000 1.227 688 I HN 0.518 nan 8.210 nan 0.000 0.434 689 D N 4.609 125.004 120.400 -0.009 0.000 2.308 689 D HA 0.601 5.241 4.640 -0.001 0.000 0.242 689 D C -1.426 174.948 176.300 0.124 0.000 1.059 689 D CA -0.256 53.800 54.000 0.094 0.000 0.830 689 D CB 2.057 42.997 40.800 0.234 0.000 1.161 689 D HN 0.575 nan 8.370 nan 0.000 0.494 690 L N 2.242 123.496 121.223 0.052 0.000 2.354 690 L HA 0.478 4.818 4.340 -0.001 0.000 0.264 690 L C 0.153 176.917 176.870 -0.177 0.000 1.008 690 L CA -0.886 53.897 54.840 -0.095 0.000 0.819 690 L CB 2.384 44.320 42.059 -0.206 0.000 1.339 690 L HN 0.294 nan 8.230 nan 0.000 0.420 691 E N 1.076 121.091 120.200 -0.309 0.000 2.221 691 E HA 0.313 4.663 4.350 -0.001 0.000 0.268 691 E C 0.452 176.860 176.600 -0.321 0.000 0.933 691 E CA -0.905 55.263 56.400 -0.386 0.000 0.809 691 E CB 2.305 31.736 29.700 -0.447 0.000 1.190 691 E HN 0.416 nan 8.360 nan 0.000 0.406 692 I N 1.751 122.155 120.570 -0.277 0.000 2.194 692 I HA -0.275 3.895 4.170 -0.001 0.000 0.246 692 I C 1.572 177.508 176.117 -0.302 0.000 1.093 692 I CA 1.342 62.455 61.300 -0.312 0.000 1.355 692 I CB -0.851 36.982 38.000 -0.278 0.000 1.046 692 I HN 0.530 nan 8.210 nan 0.000 0.413 693 N N 1.063 119.618 118.700 -0.241 0.000 2.289 693 N HA -0.167 4.573 4.740 -0.001 0.000 0.184 693 N C 1.314 176.692 175.510 -0.221 0.000 1.016 693 N CA 1.097 54.020 53.050 -0.213 0.000 0.872 693 N CB -0.263 38.134 38.487 -0.150 0.000 0.973 693 N HN 0.433 nan 8.380 nan 0.000 0.433 694 D N 0.745 120.983 120.400 -0.269 0.000 2.144 694 D HA -0.056 4.584 4.640 -0.001 0.000 0.200 694 D C 2.073 178.164 176.300 -0.348 0.000 0.978 694 D CA 0.536 54.355 54.000 -0.302 0.000 0.833 694 D CB -0.041 40.509 40.800 -0.417 0.000 0.961 694 D HN 0.308 nan 8.370 nan 0.000 0.470 695 L N 0.641 121.612 121.223 -0.419 0.000 2.179 695 L HA 0.011 4.350 4.340 -0.001 0.000 0.208 695 L C 1.620 178.368 176.870 -0.204 0.000 1.096 695 L CA 0.685 55.332 54.840 -0.323 0.000 0.779 695 L CB -0.628 41.231 42.059 -0.334 0.000 0.922 695 L HN 0.070 nan 8.230 nan 0.000 0.443 696 T N 0.000 114.320 114.554 -0.390 0.000 3.816 696 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 696 T CA 0.000 61.674 62.100 -0.710 0.000 1.349 696 T CB 0.000 68.229 68.868 -1.065 0.000 0.612 696 T HN 0.000 nan 8.240 nan 0.000 0.658