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 2vzv_1_A DATA FIRST_RESID 42 DATA SEQUENCE LSVGAAAGNA TPIPGYVIQS SAQVSDDSAV SKPGFPTSGW YPVSSRSTVY DATA SEQUENCE AGLLQNGKYA DPFYSTNMQN VPAAQFSVPW WYRTDLNVDD TSSRTYLDFS DATA SEQUENCE GVLSKADVWV NGTKVATKDQ VNGAYTRHDL DITAQVHTGV NSVAFKVYPN DATA SEQUENCE DPNRDLSMGW IDWAQTPPDQ NMGIVRDVLV RRSGAVALRS AHVIQKLNSA DATA SEQUENCE LDHADLTVKA DVRNDSANAV QTTVAGTVAG KPISQTVSLA AKERKTVTFP DATA SEQUENCE LVGLDRPNVW WPAGMGGQHR YDLDLTASVG GTPSDAAKSK FGVRDVKATL DATA SEQUENCE NSSGGRQYSV NGKPLLIRGG GYTPDLFLRW NETAAADKLK YVLNLGLNTV DATA SEQUENCE RLEGHIEPDE FFDIADDLGV LTMPGWECCD KWEGQVNGEE KGEPWVESDY DATA SEQUENCE PIAKASMFSE AERLRDHPSV ISFHIGSDFA PDRRIEQGYL DAMKAADFLL DATA SEQUENCE PVIPAASARP SPITGASGMK MNGPYDYVPP VYWYDKSQKD RGGAWSFNSA DATA SEQUENCE TSAGVDIPTM DTLKRMMSAS ELDTMWKNPS AKQYHRSSSD TFGNLKLFGD DATA SEQUENCE ALTKRYGASA NLNDFVRKAQ LSQYENVRAE FESHSRNYTD STNPSTGLIY DATA SEQUENCE WMLNSPWTSL HWQLFDAYMD QNGAYYGAKK ANEPLHIQYS HDNRSVVVIN DATA SEQUENCE QTSNAVSGLT ATTKLYNLDG TEKYSNTKTG LSVGALGAKA TAVTVPAVSG DATA SEQUENCE LSTTYLAKNV LTDSSGKEVS RNVYWLSTKA DTLNWGGSDW YYTPQSAFAD DATA SEQUENCE LSGLNNLGQS AVGATANSVA GADGTTTTTV TLKNTSGGRL PAFYVDSKVV DATA SEQUENCE DSAGKPVLPV EWNDNAVSLW PGETTTLTAK YRTADLKGSK PSVRISGWNT DATA SEQUENCE GTQTVPAD 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 42 L HA 0.000 nan 4.340 nan 0.000 0.249 42 L C 0.000 176.889 176.870 0.032 0.000 1.165 42 L CA 0.000 54.854 54.840 0.023 0.000 0.813 42 L CB 0.000 42.067 42.059 0.013 0.000 0.961 43 S N 2.053 117.775 115.700 0.035 0.000 2.786 43 S HA 1.003 5.483 4.470 0.018 0.000 0.307 43 S C -0.917 173.711 174.600 0.046 0.000 1.121 43 S CA -0.080 58.144 58.200 0.039 0.000 0.975 43 S CB 2.123 65.345 63.200 0.036 0.000 1.220 43 S HN 1.116 nan 8.310 nan 0.000 0.550 44 V N -1.406 118.536 119.914 0.046 0.000 2.971 44 V HA 0.923 5.054 4.120 0.018 0.000 0.309 44 V C -0.142 175.982 176.094 0.049 0.000 1.130 44 V CA -0.999 61.333 62.300 0.053 0.000 0.964 44 V CB 1.214 33.073 31.823 0.060 0.000 1.029 44 V HN 0.927 nan 8.190 nan 0.000 0.427 45 G N 1.057 109.888 108.800 0.051 0.000 2.322 45 G HA2 0.584 4.555 3.960 0.018 0.000 0.309 45 G HA3 0.584 4.555 3.960 0.018 0.000 0.309 45 G C 0.847 175.778 174.900 0.052 0.000 1.121 45 G CA -0.094 45.034 45.100 0.048 0.000 0.886 45 G HN 1.617 nan 8.290 nan 0.000 0.447 46 A N 2.536 125.384 122.820 0.047 0.000 2.131 46 A HA 0.300 4.631 4.320 0.018 0.000 0.220 46 A C 1.998 179.614 177.584 0.052 0.000 1.158 46 A CA 1.264 53.331 52.037 0.049 0.000 0.665 46 A CB -0.483 18.543 19.000 0.043 0.000 0.795 46 A HN 1.748 nan 8.150 nan 0.000 0.460 47 A N 0.305 123.155 122.820 0.049 0.000 2.572 47 A HA 0.392 4.722 4.320 0.018 0.000 0.256 47 A C 0.782 178.401 177.584 0.057 0.000 1.041 47 A CA 0.387 52.453 52.037 0.049 0.000 0.790 47 A CB -0.750 18.277 19.000 0.045 0.000 0.947 47 A HN 1.482 nan 8.150 nan 0.000 0.518 48 A N 2.816 125.671 122.820 0.058 0.000 2.451 48 A HA 0.552 4.882 4.320 0.018 0.000 0.266 48 A C 1.477 179.097 177.584 0.061 0.000 1.119 48 A CA 0.677 52.755 52.037 0.067 0.000 0.786 48 A CB -0.291 18.749 19.000 0.066 0.000 1.061 48 A HN 2.539 nan 8.150 nan 0.000 0.503 49 G N 2.289 111.129 108.800 0.066 0.000 3.288 49 G HA2 -0.198 3.773 3.960 0.018 0.000 0.195 49 G HA3 -0.198 3.773 3.960 0.018 0.000 0.195 49 G C 0.437 175.374 174.900 0.063 0.000 1.093 49 G CA 0.025 45.159 45.100 0.057 0.000 0.852 49 G HN 1.167 nan 8.290 nan 0.000 0.453 50 N N 1.756 120.498 118.700 0.069 0.000 2.052 50 N HA 0.321 5.072 4.740 0.018 0.000 0.283 50 N C 0.090 175.652 175.510 0.086 0.000 1.272 50 N CA 1.374 54.469 53.050 0.075 0.000 0.810 50 N CB 0.487 39.020 38.487 0.077 0.000 1.042 50 N HN 1.421 nan 8.380 nan 0.000 0.483 51 A N 3.019 125.889 122.820 0.084 0.000 3.370 51 A HA 0.287 4.618 4.320 0.018 0.000 0.295 51 A C -0.287 177.354 177.584 0.096 0.000 1.030 51 A CA -0.730 51.364 52.037 0.095 0.000 0.883 51 A CB -0.164 18.886 19.000 0.084 0.000 1.191 51 A HN 0.571 nan 8.150 nan 0.000 0.507 52 T N 3.873 118.484 114.554 0.096 0.000 2.779 52 T HA 0.427 4.788 4.350 0.018 0.000 0.296 52 T C -2.475 172.284 174.700 0.099 0.000 0.938 52 T CA -0.793 61.360 62.100 0.089 0.000 1.119 52 T CB 0.711 69.626 68.868 0.078 0.000 0.891 52 T HN 0.455 nan 8.240 nan 0.000 0.526 53 P HA 0.260 nan 4.420 nan 0.000 0.275 53 P C -0.055 177.287 177.300 0.070 0.000 1.227 53 P CA -0.576 62.584 63.100 0.099 0.000 0.781 53 P CB 0.553 32.312 31.700 0.098 0.000 0.906 54 I N 5.800 126.406 120.570 0.061 0.000 2.671 54 I HA -0.034 4.147 4.170 0.018 0.000 0.285 54 I C -0.704 175.359 176.117 -0.090 0.000 1.148 54 I CA -1.049 60.229 61.300 -0.037 0.000 1.386 54 I CB 0.216 38.162 38.000 -0.091 0.000 1.406 54 I HN 0.297 nan 8.210 nan 0.000 0.540 55 P HA 0.051 nan 4.420 nan 0.000 0.229 55 P C 0.542 177.807 177.300 -0.058 0.000 1.160 55 P CA 0.677 63.761 63.100 -0.027 0.000 0.777 55 P CB 0.551 32.253 31.700 0.003 0.000 0.814 56 G N -1.813 106.860 108.800 -0.212 0.000 2.559 56 G HA2 0.541 4.512 3.960 0.018 0.000 0.291 56 G HA3 0.541 4.512 3.960 0.018 0.000 0.291 56 G C -2.219 172.427 174.900 -0.423 0.000 1.424 56 G CA -0.594 44.403 45.100 -0.171 0.000 0.786 56 G HN -0.076 nan 8.290 nan 0.000 0.485 57 Y N -1.595 118.821 120.300 0.194 0.000 2.615 57 Y HA 0.611 5.171 4.550 0.018 0.000 0.341 57 Y C 0.183 176.209 175.900 0.210 0.000 1.089 57 Y CA -1.076 57.160 58.100 0.226 0.000 1.049 57 Y CB 2.361 41.004 38.460 0.305 0.000 1.296 57 Y HN 0.590 nan 8.280 nan 0.000 0.470 58 V N 1.353 121.526 119.914 0.433 0.000 2.427 58 V HA 0.758 4.889 4.120 0.018 0.000 0.286 58 V C -0.374 176.077 176.094 0.596 0.000 1.034 58 V CA -0.771 61.801 62.300 0.454 0.000 0.893 58 V CB 0.690 32.747 31.823 0.390 0.000 0.982 58 V HN 0.686 nan 8.190 nan 0.000 0.452 59 I N 1.736 122.567 120.570 0.435 0.000 2.693 59 I HA 1.002 5.182 4.170 0.018 0.000 0.303 59 I C -0.527 175.621 176.117 0.052 0.000 1.025 59 I CA -0.734 60.698 61.300 0.221 0.000 1.086 59 I CB 2.128 40.066 38.000 -0.104 0.000 1.268 59 I HN 0.702 nan 8.210 nan 0.000 0.440 60 Q N 2.705 122.302 119.800 -0.338 0.000 2.527 60 Q HA 0.365 4.715 4.340 0.018 0.000 0.280 60 Q C -1.086 174.244 176.000 -1.118 0.000 0.977 60 Q CA -0.466 54.778 55.803 -0.932 0.000 0.837 60 Q CB 2.207 29.683 28.738 -2.104 0.000 1.454 60 Q HN 0.923 nan 8.270 nan 0.000 0.387 61 S N 0.360 114.869 115.700 -1.985 0.000 2.563 61 S HA 0.108 4.589 4.470 0.018 0.000 0.284 61 S C 0.964 175.169 174.600 -0.658 0.000 1.331 61 S CA 0.682 57.803 58.200 -1.799 0.000 1.047 61 S CB 0.221 62.596 63.200 -1.375 0.000 0.859 61 S HN 0.785 nan 8.310 nan 0.000 0.514 62 S N 3.961 119.455 115.700 -0.343 0.000 2.474 62 S HA -0.027 4.454 4.470 0.018 0.000 0.235 62 S C 1.952 176.519 174.600 -0.055 0.000 0.997 62 S CA 0.676 58.883 58.200 0.013 0.000 0.949 62 S CB -0.713 62.484 63.200 -0.006 0.000 0.766 62 S HN 0.960 nan 8.310 nan 0.000 0.517 63 A N 1.623 124.340 122.820 -0.171 0.000 1.978 63 A HA -0.115 4.215 4.320 0.018 0.000 0.220 63 A C 2.261 179.783 177.584 -0.102 0.000 1.170 63 A CA 1.393 53.355 52.037 -0.125 0.000 0.636 63 A CB -0.489 18.418 19.000 -0.155 0.000 0.810 63 A HN 0.572 nan 8.150 nan 0.000 0.448 64 Q N -0.795 118.920 119.800 -0.143 0.000 2.403 64 Q HA 0.156 4.507 4.340 0.018 0.000 0.203 64 Q C -0.428 175.572 176.000 -0.001 0.000 0.932 64 Q CA 0.343 56.092 55.803 -0.090 0.000 0.945 64 Q CB 0.316 28.957 28.738 -0.162 0.000 1.045 64 Q HN 0.387 nan 8.270 nan 0.000 0.511 65 V N 1.757 121.675 119.914 0.007 0.000 2.407 65 V HA 0.119 4.250 4.120 0.018 0.000 0.291 65 V C 0.850 176.956 176.094 0.021 0.000 1.018 65 V CA -0.084 62.227 62.300 0.019 0.000 0.842 65 V CB 1.707 33.482 31.823 -0.079 0.000 0.996 65 V HN 0.174 nan 8.190 nan 0.000 0.426 66 S N 1.922 117.627 115.700 0.008 0.000 2.470 66 S HA 0.075 4.555 4.470 0.018 0.000 0.222 66 S C 0.584 175.182 174.600 -0.004 0.000 1.024 66 S CA 0.186 58.391 58.200 0.008 0.000 0.931 66 S CB 0.185 63.386 63.200 0.003 0.000 0.791 66 S HN 0.716 nan 8.310 nan 0.000 0.513 67 D N 1.236 121.610 120.400 -0.043 0.000 2.432 67 D HA 0.336 4.987 4.640 0.018 0.000 0.265 67 D C -0.126 176.036 176.300 -0.229 0.000 1.160 67 D CA -0.440 53.507 54.000 -0.088 0.000 0.911 67 D CB 0.697 41.454 40.800 -0.070 0.000 1.052 67 D HN -0.228 nan 8.370 nan 0.000 0.508 68 D N 0.520 120.806 120.400 -0.190 0.000 2.192 68 D HA -0.269 4.382 4.640 0.018 0.000 0.189 68 D C 1.931 177.669 176.300 -0.937 0.000 1.007 68 D CA 1.999 55.796 54.000 -0.338 0.000 0.859 68 D CB -0.178 40.648 40.800 0.043 0.000 0.936 68 D HN 0.499 nan 8.370 nan 0.000 0.447 69 S N -0.164 115.010 115.700 -0.877 0.000 2.465 69 S HA -0.082 4.399 4.470 0.018 0.000 0.241 69 S C 1.976 176.208 174.600 -0.613 0.000 1.000 69 S CA 1.284 58.884 58.200 -1.002 0.000 0.964 69 S CB -0.181 62.806 63.200 -0.354 0.000 0.763 69 S HN 0.285 nan 8.310 nan 0.000 0.512 70 A N 1.252 123.768 122.820 -0.507 0.000 1.929 70 A HA 0.148 4.479 4.320 0.018 0.000 0.216 70 A C 2.345 179.555 177.584 -0.623 0.000 1.176 70 A CA 1.305 53.144 52.037 -0.329 0.000 0.628 70 A CB -0.966 17.989 19.000 -0.075 0.000 0.816 70 A HN 0.494 nan 8.150 nan 0.000 0.444 71 V N 1.135 120.340 119.914 -1.181 0.000 2.392 71 V HA -0.244 3.887 4.120 0.018 0.000 0.249 71 V C 2.707 178.246 176.094 -0.924 0.000 1.059 71 V CA 2.343 63.595 62.300 -1.747 0.000 1.051 71 V CB -0.879 29.857 31.823 -1.811 0.000 0.658 71 V HN 0.779 nan 8.190 nan 0.000 0.455 72 S N -1.749 113.631 115.700 -0.533 0.000 2.548 72 S HA 0.120 4.601 4.470 0.018 0.000 0.215 72 S C 0.707 175.253 174.600 -0.090 0.000 0.976 72 S CA -0.204 57.883 58.200 -0.188 0.000 0.908 72 S CB -0.238 62.975 63.200 0.023 0.000 0.781 72 S HN 0.537 nan 8.310 nan 0.000 0.519 73 K N 3.202 123.532 120.400 -0.116 0.000 2.383 73 K HA 0.277 4.608 4.320 0.018 0.000 0.286 73 K C -2.739 173.873 176.600 0.019 0.000 1.051 73 K CA -1.988 54.292 56.287 -0.013 0.000 0.974 73 K CB 0.206 32.702 32.500 -0.007 0.000 0.968 73 K HN 0.115 nan 8.250 nan 0.000 0.475 74 P HA -0.146 nan 4.420 nan 0.000 0.263 74 P C 0.623 177.945 177.300 0.036 0.000 1.168 74 P CA 1.090 64.223 63.100 0.054 0.000 0.759 74 P CB 0.479 32.234 31.700 0.092 0.000 0.782 75 G N 2.312 111.124 108.800 0.020 0.000 2.184 75 G HA2 -0.313 3.657 3.960 0.018 0.000 0.264 75 G HA3 -0.313 3.657 3.960 0.018 0.000 0.264 75 G C 0.159 175.039 174.900 -0.033 0.000 0.975 75 G CA -0.219 44.873 45.100 -0.015 0.000 0.642 75 G HN 0.596 nan 8.290 nan 0.000 0.536 76 F N 3.852 123.705 119.950 -0.162 0.000 2.612 76 F HA 0.432 4.970 4.527 0.018 0.000 0.389 76 F C -0.911 174.723 175.800 -0.277 0.000 1.055 76 F CA -1.125 56.740 58.000 -0.226 0.000 1.232 76 F CB 0.444 39.273 39.000 -0.285 0.000 1.044 76 F HN 0.090 nan 8.300 nan 0.000 0.560 77 P HA 0.105 nan 4.420 nan 0.000 0.276 77 P C -0.329 176.406 177.300 -0.942 0.000 1.235 77 P CA -0.245 62.419 63.100 -0.728 0.000 0.772 77 P CB 0.973 32.331 31.700 -0.570 0.000 0.871 78 T N -1.863 112.315 114.554 -0.627 0.000 3.266 78 T HA 0.149 4.510 4.350 0.018 0.000 0.278 78 T C 0.547 175.029 174.700 -0.364 0.000 1.010 78 T CA -0.474 61.115 62.100 -0.851 0.000 0.909 78 T CB -0.537 67.891 68.868 -0.733 0.000 1.122 78 T HN 0.318 nan 8.240 nan 0.000 0.536 79 S N 0.855 116.433 115.700 -0.203 0.000 2.558 79 S HA 0.414 4.895 4.470 0.018 0.000 0.288 79 S C 1.775 176.441 174.600 0.109 0.000 1.318 79 S CA 1.059 59.229 58.200 -0.049 0.000 1.056 79 S CB -0.533 62.619 63.200 -0.081 0.000 0.853 79 S HN 1.516 nan 8.310 nan 0.000 0.505 80 G N 3.274 112.095 108.800 0.034 0.000 2.166 80 G HA2 -0.259 3.711 3.960 0.018 0.000 0.260 80 G HA3 -0.259 3.711 3.960 0.018 0.000 0.260 80 G C -0.155 174.650 174.900 -0.159 0.000 0.986 80 G CA 0.434 45.500 45.100 -0.057 0.000 0.683 80 G HN 0.608 nan 8.290 nan 0.000 0.527 81 W N -0.205 120.916 121.300 -0.298 0.000 2.303 81 W HA 0.706 5.377 4.660 0.018 0.000 0.334 81 W C 0.248 176.585 176.519 -0.303 0.000 1.197 81 W CA -1.065 56.111 57.345 -0.281 0.000 1.262 81 W CB 0.353 29.781 29.460 -0.053 0.000 1.153 81 W HN 0.115 nan 8.180 nan 0.000 0.596 82 Y N 3.436 123.886 120.300 0.250 0.000 2.341 82 Y HA 0.288 4.849 4.550 0.018 0.000 0.340 82 Y C -1.712 174.305 175.900 0.196 0.000 0.997 82 Y CA -2.945 55.263 58.100 0.180 0.000 1.149 82 Y CB 0.048 38.596 38.460 0.147 0.000 1.171 82 Y HN 0.001 nan 8.280 nan 0.000 0.494 83 P HA 0.164 nan 4.420 nan 0.000 0.281 83 P C -0.823 176.605 177.300 0.213 0.000 1.252 83 P CA -0.170 63.068 63.100 0.230 0.000 0.778 83 P CB 1.393 33.190 31.700 0.162 0.000 0.895 84 V N 0.524 120.572 119.914 0.224 0.000 2.876 84 V HA 0.737 4.867 4.120 0.018 0.000 0.312 84 V C 0.286 176.515 176.094 0.225 0.000 1.085 84 V CA -0.993 61.431 62.300 0.207 0.000 0.945 84 V CB 1.485 33.431 31.823 0.205 0.000 1.017 84 V HN 0.637 nan 8.190 nan 0.000 0.428 85 S N 2.475 118.290 115.700 0.191 0.000 2.641 85 S HA 0.438 4.919 4.470 0.018 0.000 0.261 85 S C 0.540 175.293 174.600 0.256 0.000 1.257 85 S CA 0.361 58.671 58.200 0.183 0.000 0.983 85 S CB 1.161 64.452 63.200 0.150 0.000 0.990 85 S HN 1.679 nan 8.310 nan 0.000 0.572 86 S N 0.081 115.913 115.700 0.219 0.000 2.572 86 S HA 0.265 4.745 4.470 0.018 0.000 0.279 86 S C 0.164 174.923 174.600 0.266 0.000 1.341 86 S CA -0.195 58.164 58.200 0.266 0.000 1.043 86 S CB -0.620 62.688 63.200 0.179 0.000 0.887 86 S HN 0.793 nan 8.310 nan 0.000 0.516 87 R N 0.832 121.483 120.500 0.250 0.000 3.418 87 R HA -0.107 4.244 4.340 0.018 0.000 0.274 87 R C -0.822 175.602 176.300 0.207 0.000 1.108 87 R CA 0.542 56.754 56.100 0.186 0.000 0.741 87 R CB -2.450 27.961 30.300 0.184 0.000 1.223 87 R HN 0.405 nan 8.270 nan 0.000 0.434 88 S N 0.581 116.418 115.700 0.228 0.000 2.451 88 S HA 0.335 4.815 4.470 0.018 0.000 0.301 88 S C 0.584 175.307 174.600 0.207 0.000 1.116 88 S CA -0.385 57.954 58.200 0.232 0.000 1.093 88 S CB 1.647 65.013 63.200 0.277 0.000 1.017 88 S HN 0.316 nan 8.310 nan 0.000 0.482 89 T N 0.722 115.370 114.554 0.157 0.000 2.856 89 T HA 0.214 4.575 4.350 0.018 0.000 0.306 89 T C 1.598 176.349 174.700 0.086 0.000 1.062 89 T CA -0.746 61.422 62.100 0.114 0.000 1.083 89 T CB 0.476 69.415 68.868 0.117 0.000 0.984 89 T HN 0.224 nan 8.240 nan 0.000 0.542 90 V N 1.591 121.504 119.914 -0.002 0.000 2.282 90 V HA -0.180 3.950 4.120 0.018 0.000 0.249 90 V C 2.117 178.073 176.094 -0.230 0.000 1.057 90 V CA 2.187 64.362 62.300 -0.208 0.000 1.032 90 V CB -1.298 30.194 31.823 -0.551 0.000 0.645 90 V HN 0.947 nan 8.190 nan 0.000 0.447 91 Y N 1.282 121.340 120.300 -0.404 0.000 2.200 91 Y HA -0.154 4.406 4.550 0.017 0.000 0.290 91 Y C 2.378 178.140 175.900 -0.231 0.000 1.137 91 Y CA 1.212 59.092 58.100 -0.367 0.000 1.163 91 Y CB -0.756 37.401 38.460 -0.505 0.000 0.988 91 Y HN 0.147 nan 8.280 nan 0.000 0.518 92 A N 0.029 122.714 122.820 -0.225 0.000 1.940 92 A HA -0.127 4.203 4.320 0.018 0.000 0.219 92 A C 2.501 179.996 177.584 -0.149 0.000 1.176 92 A CA 1.772 53.689 52.037 -0.200 0.000 0.631 92 A CB -1.648 17.375 19.000 0.038 0.000 0.814 92 A HN 0.588 nan 8.150 nan 0.000 0.446 93 G N -0.248 108.501 108.800 -0.086 0.000 2.402 93 G HA2 -0.126 3.845 3.960 0.018 0.000 0.216 93 G HA3 -0.126 3.845 3.960 0.018 0.000 0.216 93 G C 1.540 176.377 174.900 -0.106 0.000 1.162 93 G CA 0.958 46.033 45.100 -0.041 0.000 0.777 93 G HN 0.439 nan 8.290 nan 0.000 0.539 94 L N -0.068 121.031 121.223 -0.206 0.000 2.046 94 L HA -0.006 4.345 4.340 0.018 0.000 0.208 94 L C 2.899 179.636 176.870 -0.222 0.000 1.077 94 L CA 0.559 55.237 54.840 -0.270 0.000 0.747 94 L CB -0.393 41.560 42.059 -0.176 0.000 0.896 94 L HN 0.182 nan 8.230 nan 0.000 0.432 95 L N -0.783 120.263 121.223 -0.294 0.000 2.056 95 L HA -0.234 4.117 4.340 0.018 0.000 0.207 95 L C 2.650 179.429 176.870 -0.152 0.000 1.078 95 L CA 1.126 55.803 54.840 -0.272 0.000 0.749 95 L CB -0.516 41.273 42.059 -0.451 0.000 0.901 95 L HN 0.349 nan 8.230 nan 0.000 0.433 96 Q N 0.178 119.909 119.800 -0.117 0.000 2.248 96 Q HA -0.212 4.138 4.340 0.018 0.000 0.208 96 Q C 1.277 177.270 176.000 -0.012 0.000 0.984 96 Q CA 1.252 57.030 55.803 -0.041 0.000 0.875 96 Q CB 0.081 28.820 28.738 0.001 0.000 0.910 96 Q HN 0.512 nan 8.270 nan 0.000 0.433 97 N N -1.097 117.593 118.700 -0.018 0.000 2.268 97 N HA 0.053 4.804 4.740 0.018 0.000 0.204 97 N C 0.298 175.801 175.510 -0.010 0.000 1.124 97 N CA 0.762 53.828 53.050 0.027 0.000 0.838 97 N CB 1.049 39.604 38.487 0.114 0.000 0.994 97 N HN 0.347 nan 8.380 nan 0.000 0.489 98 G N 2.229 111.000 108.800 -0.048 0.000 2.258 98 G HA2 -0.357 3.613 3.960 0.018 0.000 0.274 98 G HA3 -0.357 3.613 3.960 0.018 0.000 0.274 98 G C 0.963 175.811 174.900 -0.086 0.000 1.021 98 G CA 1.149 46.218 45.100 -0.052 0.000 0.798 98 G HN 0.433 nan 8.290 nan 0.000 0.507 99 K N -1.324 118.975 120.400 -0.168 0.000 2.296 99 K HA 0.232 4.563 4.320 0.018 0.000 0.200 99 K C 0.342 176.609 176.600 -0.554 0.000 1.048 99 K CA 0.591 56.668 56.287 -0.351 0.000 0.966 99 K CB 0.040 32.263 32.500 -0.462 0.000 0.754 99 K HN 0.471 nan 8.250 nan 0.000 0.466 100 Y N -0.676 119.619 120.300 -0.007 0.000 2.605 100 Y HA 0.530 5.091 4.550 0.018 0.000 0.343 100 Y C -0.036 175.877 175.900 0.022 0.000 1.036 100 Y CA -1.414 56.708 58.100 0.038 0.000 1.065 100 Y CB 1.357 39.885 38.460 0.113 0.000 1.288 100 Y HN -0.095 nan 8.280 nan 0.000 0.481 101 A N 0.329 123.300 122.820 0.251 0.000 2.346 101 A HA 0.192 4.523 4.320 0.018 0.000 0.252 101 A C -0.225 177.465 177.584 0.177 0.000 1.089 101 A CA -0.323 51.815 52.037 0.169 0.000 0.797 101 A CB -0.072 19.034 19.000 0.175 0.000 1.047 101 A HN 0.722 nan 8.150 nan 0.000 0.494 102 D N 1.064 121.555 120.400 0.153 0.000 2.426 102 D HA 0.067 4.717 4.640 0.018 0.000 0.261 102 D C -1.357 175.145 176.300 0.337 0.000 1.245 102 D CA -1.294 52.813 54.000 0.179 0.000 0.917 102 D CB 0.781 41.678 40.800 0.160 0.000 1.123 102 D HN 0.177 nan 8.370 nan 0.000 0.508 103 P HA -0.074 nan 4.420 nan 0.000 0.237 103 P C 1.153 178.980 177.300 0.879 0.000 1.178 103 P CA 0.268 63.733 63.100 0.608 0.000 0.766 103 P CB 0.034 32.111 31.700 0.629 0.000 0.876 104 F N -1.329 118.899 119.950 0.463 0.000 2.661 104 F HA 0.055 4.593 4.527 0.018 0.000 0.298 104 F C 1.101 177.049 175.800 0.246 0.000 1.137 104 F CA -0.293 57.923 58.000 0.361 0.000 1.454 104 F CB -1.013 38.152 39.000 0.275 0.000 1.103 104 F HN -0.090 nan 8.300 nan 0.000 0.577 105 Y N 0.197 120.716 120.300 0.365 0.000 2.353 105 Y HA 0.440 5.000 4.550 0.017 0.000 0.340 105 Y C 0.876 176.910 175.900 0.223 0.000 0.972 105 Y CA -0.333 57.878 58.100 0.186 0.000 1.157 105 Y CB 0.626 39.179 38.460 0.156 0.000 1.157 105 Y HN 0.058 nan 8.280 nan 0.000 0.495 106 S N 2.840 118.269 115.700 -0.452 0.000 3.736 106 S HA -0.326 4.155 4.470 0.018 0.000 0.627 106 S C 0.987 175.650 174.600 0.105 0.000 2.426 106 S CA 2.098 60.102 58.200 -0.328 0.000 4.022 106 S CB -1.672 61.095 63.200 -0.722 0.000 0.237 106 S HN 1.351 nan 8.310 nan 0.000 0.967 107 T N -0.077 114.451 114.554 -0.044 0.000 3.244 107 T HA 0.358 4.719 4.350 0.018 0.000 0.254 107 T C 1.111 175.786 174.700 -0.041 0.000 1.024 107 T CA 0.537 62.524 62.100 -0.188 0.000 0.920 107 T CB -0.421 68.243 68.868 -0.341 0.000 1.042 107 T HN 0.453 nan 8.240 nan 0.000 0.572 108 N N 1.875 120.664 118.700 0.148 0.000 2.094 108 N HA -0.078 4.673 4.740 0.018 0.000 0.191 108 N C 1.567 177.184 175.510 0.177 0.000 1.023 108 N CA 1.359 54.528 53.050 0.198 0.000 0.857 108 N CB -0.369 38.300 38.487 0.303 0.000 1.013 108 N HN 0.455 nan 8.380 nan 0.000 0.426 109 M N 0.616 120.385 119.600 0.282 0.000 2.358 109 M HA -0.142 4.349 4.480 0.018 0.000 0.264 109 M C 1.706 178.046 176.300 0.067 0.000 1.064 109 M CA 1.253 56.691 55.300 0.230 0.000 1.093 109 M CB 0.048 32.899 32.600 0.418 0.000 1.401 109 M HN 0.162 nan 8.290 nan 0.000 0.440 110 Q N -0.206 119.592 119.800 -0.004 0.000 2.378 110 Q HA -0.071 4.279 4.340 0.018 0.000 0.205 110 Q C 0.508 176.462 176.000 -0.076 0.000 0.954 110 Q CA 0.683 56.430 55.803 -0.094 0.000 0.901 110 Q CB 0.185 28.757 28.738 -0.276 0.000 0.981 110 Q HN 0.545 nan 8.270 nan 0.000 0.483 111 N N -0.198 118.470 118.700 -0.053 0.000 2.370 111 N HA 0.031 4.782 4.740 0.018 0.000 0.198 111 N C -0.753 174.708 175.510 -0.082 0.000 1.156 111 N CA 0.203 53.232 53.050 -0.034 0.000 0.839 111 N CB 0.734 39.234 38.487 0.020 0.000 0.989 111 N HN -0.060 nan 8.380 nan 0.000 0.468 112 V N 2.679 122.491 119.914 -0.170 0.000 2.348 112 V HA 0.261 4.392 4.120 0.018 0.000 0.270 112 V C -2.072 173.922 176.094 -0.166 0.000 1.037 112 V CA -1.766 60.333 62.300 -0.335 0.000 0.872 112 V CB 1.098 32.598 31.823 -0.538 0.000 1.002 112 V HN -0.065 nan 8.190 nan 0.000 0.464 113 P HA 0.152 nan 4.420 nan 0.000 0.262 113 P C 0.618 177.901 177.300 -0.028 0.000 1.199 113 P CA 0.093 63.166 63.100 -0.045 0.000 0.763 113 P CB 1.025 32.713 31.700 -0.021 0.000 0.790 114 A N 4.417 127.248 122.820 0.018 0.000 1.970 114 A HA 0.024 4.355 4.320 0.018 0.000 0.216 114 A C 2.106 179.738 177.584 0.080 0.000 1.170 114 A CA 1.385 53.493 52.037 0.118 0.000 0.645 114 A CB -1.186 17.859 19.000 0.074 0.000 0.816 114 A HN 0.505 nan 8.150 nan 0.000 0.447 115 A N 0.913 123.734 122.820 0.001 0.000 1.948 115 A HA -0.296 4.034 4.320 0.018 0.000 0.220 115 A C 2.147 179.703 177.584 -0.047 0.000 1.177 115 A CA 1.900 53.934 52.037 -0.005 0.000 0.636 115 A CB -0.819 18.175 19.000 -0.009 0.000 0.815 115 A HN 0.809 nan 8.150 nan 0.000 0.449 116 Q N -1.888 117.792 119.800 -0.199 0.000 2.439 116 Q HA -0.106 4.244 4.340 0.018 0.000 0.211 116 Q C 0.528 176.413 176.000 -0.191 0.000 0.978 116 Q CA 1.363 57.011 55.803 -0.259 0.000 0.897 116 Q CB -0.432 28.066 28.738 -0.401 0.000 0.956 116 Q HN 0.619 nan 8.270 nan 0.000 0.483 117 F N 0.136 120.190 119.950 0.173 0.000 2.647 117 F HA 0.365 4.902 4.527 0.018 0.000 0.300 117 F C 1.247 177.107 175.800 0.099 0.000 1.106 117 F CA -0.479 57.591 58.000 0.117 0.000 1.313 117 F CB 0.761 39.738 39.000 -0.040 0.000 1.007 117 F HN -0.040 nan 8.300 nan 0.000 0.536 118 S N -0.272 115.549 115.700 0.202 0.000 2.548 118 S HA 0.154 4.634 4.470 0.018 0.000 0.215 118 S C 0.633 175.313 174.600 0.132 0.000 0.976 118 S CA -0.004 58.281 58.200 0.142 0.000 0.908 118 S CB 0.009 63.263 63.200 0.090 0.000 0.781 118 S HN 0.117 nan 8.310 nan 0.000 0.519 119 V N -0.944 119.064 119.914 0.157 0.000 3.019 119 V HA 0.684 4.815 4.120 0.018 0.000 0.317 119 V C -3.173 173.013 176.094 0.153 0.000 1.094 119 V CA -3.159 59.205 62.300 0.107 0.000 1.000 119 V CB 0.972 32.819 31.823 0.041 0.000 1.060 119 V HN -0.199 nan 8.190 nan 0.000 0.443 120 P HA 0.227 nan 4.420 nan 0.000 0.269 120 P C -1.429 175.902 177.300 0.052 0.000 1.215 120 P CA 0.251 63.279 63.100 -0.120 0.000 0.780 120 P CB 0.275 31.599 31.700 -0.626 0.000 0.898 121 W N 1.069 122.283 121.300 -0.143 0.000 2.706 121 W HA 0.441 5.112 4.660 0.018 0.000 0.346 121 W C -0.959 175.517 176.519 -0.072 0.000 1.071 121 W CA 0.258 57.580 57.345 -0.037 0.000 1.206 121 W CB 0.932 30.448 29.460 0.094 0.000 1.413 121 W HN 0.376 nan 8.180 nan 0.000 0.542 122 W N 2.324 123.727 121.300 0.173 0.000 2.390 122 W HA 0.425 5.096 4.660 0.018 0.000 0.312 122 W C -0.898 175.804 176.519 0.306 0.000 1.123 122 W CA -0.577 56.906 57.345 0.231 0.000 1.202 122 W CB 0.587 30.142 29.460 0.158 0.000 1.251 122 W HN 0.087 nan 8.180 nan 0.000 0.511 123 Y N 3.431 124.009 120.300 0.464 0.000 2.328 123 Y HA 0.502 5.062 4.550 0.018 0.000 0.337 123 Y C 0.364 176.566 175.900 0.503 0.000 0.966 123 Y CA -1.029 57.259 58.100 0.314 0.000 1.136 123 Y CB 1.388 39.747 38.460 -0.169 0.000 1.170 123 Y HN 0.213 nan 8.280 nan 0.000 0.470 124 R N 2.259 123.166 120.500 0.678 0.000 2.604 124 R HA 0.595 4.945 4.340 0.018 0.000 0.281 124 R C -1.695 174.901 176.300 0.493 0.000 1.020 124 R CA -0.334 56.093 56.100 0.545 0.000 0.899 124 R CB 2.298 32.799 30.300 0.335 0.000 1.205 124 R HN 0.716 nan 8.270 nan 0.000 0.450 125 T N 1.377 116.158 114.554 0.378 0.000 2.894 125 T HA 0.313 4.673 4.350 0.018 0.000 0.309 125 T C -1.425 173.353 174.700 0.129 0.000 1.208 125 T CA -0.653 61.575 62.100 0.212 0.000 1.016 125 T CB 1.492 70.433 68.868 0.122 0.000 1.192 125 T HN 0.508 nan 8.240 nan 0.000 0.491 126 D N 1.576 122.020 120.400 0.074 0.000 2.312 126 D HA 0.525 5.175 4.640 0.018 0.000 0.248 126 D C -0.637 175.693 176.300 0.050 0.000 1.086 126 D CA -0.139 53.893 54.000 0.053 0.000 0.948 126 D CB 1.527 42.349 40.800 0.036 0.000 1.162 126 D HN 0.330 nan 8.370 nan 0.000 0.446 127 L N 2.161 123.409 121.223 0.042 0.000 2.568 127 L HA 0.247 4.598 4.340 0.018 0.000 0.262 127 L C -1.095 175.792 176.870 0.028 0.000 0.980 127 L CA -0.500 54.363 54.840 0.038 0.000 0.882 127 L CB 0.932 43.018 42.059 0.045 0.000 1.198 127 L HN 0.158 nan 8.230 nan 0.000 0.425 128 N N 3.236 121.956 118.700 0.033 0.000 2.497 128 N HA 0.327 5.078 4.740 0.018 0.000 0.268 128 N C -1.023 174.507 175.510 0.033 0.000 1.171 128 N CA 0.083 53.155 53.050 0.036 0.000 0.948 128 N CB 1.863 40.372 38.487 0.036 0.000 1.069 128 N HN 0.385 nan 8.380 nan 0.000 0.460 129 V N 2.996 122.931 119.914 0.035 0.000 2.380 129 V HA 0.081 4.212 4.120 0.018 0.000 0.286 129 V C 0.468 176.588 176.094 0.043 0.000 1.015 129 V CA -0.628 61.691 62.300 0.032 0.000 0.834 129 V CB 1.602 33.432 31.823 0.012 0.000 1.009 129 V HN 0.541 nan 8.190 nan 0.000 0.428 130 D N 2.621 123.045 120.400 0.040 0.000 2.269 130 D HA 0.016 4.667 4.640 0.018 0.000 0.208 130 D C 0.459 176.782 176.300 0.039 0.000 0.963 130 D CA 1.294 55.318 54.000 0.039 0.000 0.864 130 D CB 0.342 41.164 40.800 0.036 0.000 0.936 130 D HN 0.767 nan 8.370 nan 0.000 0.505 131 D N -1.615 118.809 120.400 0.039 0.000 2.301 131 D HA -0.047 4.604 4.640 0.018 0.000 0.203 131 D C -0.332 175.989 176.300 0.035 0.000 1.300 131 D CA -0.297 53.725 54.000 0.037 0.000 0.899 131 D CB 0.390 41.211 40.800 0.035 0.000 1.597 131 D HN -0.156 nan 8.370 nan 0.000 0.538 132 T N 0.650 115.225 114.554 0.035 0.000 3.406 132 T HA 0.170 4.531 4.350 0.018 0.000 0.244 132 T C 1.258 175.974 174.700 0.025 0.000 0.949 132 T CA 0.352 62.469 62.100 0.027 0.000 0.926 132 T CB 0.156 69.041 68.868 0.029 0.000 1.089 132 T HN 0.145 nan 8.240 nan 0.000 0.604 133 S N 1.284 117.002 115.700 0.030 0.000 2.345 133 S HA 0.055 4.536 4.470 0.018 0.000 0.219 133 S C 1.171 175.791 174.600 0.033 0.000 1.031 133 S CA 0.335 58.554 58.200 0.030 0.000 0.984 133 S CB -0.279 62.941 63.200 0.032 0.000 0.874 133 S HN 0.741 nan 8.310 nan 0.000 0.451 134 S N 2.090 117.815 115.700 0.041 0.000 2.585 134 S HA 0.326 4.807 4.470 0.018 0.000 0.273 134 S C 0.162 174.783 174.600 0.036 0.000 1.339 134 S CA -0.553 57.679 58.200 0.054 0.000 1.028 134 S CB 0.563 63.806 63.200 0.072 0.000 0.906 134 S HN 0.404 nan 8.310 nan 0.000 0.528 135 R N 0.714 121.239 120.500 0.041 0.000 2.801 135 R HA 0.352 4.703 4.340 0.018 0.000 0.273 135 R C -0.289 175.964 176.300 -0.077 0.000 1.080 135 R CA -0.003 56.066 56.100 -0.053 0.000 1.197 135 R CB 0.114 30.377 30.300 -0.061 0.000 1.109 135 R HN 0.491 nan 8.270 nan 0.000 0.535 136 T N 1.239 115.632 114.554 -0.269 0.000 2.881 136 T HA 0.457 4.818 4.350 0.018 0.000 0.290 136 T C -1.309 173.177 174.700 -0.357 0.000 1.000 136 T CA -0.609 61.396 62.100 -0.159 0.000 0.978 136 T CB 0.717 69.544 68.868 -0.069 0.000 0.997 136 T HN 0.336 nan 8.240 nan 0.000 0.443 137 Y N 1.303 121.652 120.300 0.081 0.000 2.499 137 Y HA 0.634 5.195 4.550 0.018 0.000 0.347 137 Y C -0.325 175.664 175.900 0.148 0.000 0.987 137 Y CA -1.342 56.821 58.100 0.104 0.000 1.044 137 Y CB 1.490 40.007 38.460 0.096 0.000 1.245 137 Y HN 0.373 nan 8.280 nan 0.000 0.461 138 L N 3.104 124.536 121.223 0.348 0.000 2.287 138 L HA 0.449 4.799 4.340 0.018 0.000 0.287 138 L C -0.997 176.151 176.870 0.462 0.000 1.022 138 L CA -0.442 54.649 54.840 0.418 0.000 0.814 138 L CB 1.117 43.451 42.059 0.458 0.000 1.217 138 L HN 0.575 nan 8.230 nan 0.000 0.420 139 D N 4.347 125.002 120.400 0.426 0.000 2.593 139 D HA 0.630 5.281 4.640 0.018 0.000 0.251 139 D C -1.067 175.456 176.300 0.372 0.000 1.140 139 D CA -0.123 54.039 54.000 0.270 0.000 0.855 139 D CB 1.412 42.308 40.800 0.160 0.000 1.267 139 D HN 0.247 nan 8.370 nan 0.000 0.532 140 F N 0.560 120.619 119.950 0.182 0.000 2.773 140 F HA 0.726 5.264 4.527 0.018 0.000 0.314 140 F C -1.135 174.754 175.800 0.149 0.000 1.160 140 F CA -0.901 57.188 58.000 0.149 0.000 0.920 140 F CB 0.778 39.865 39.000 0.146 0.000 1.323 140 F HN 0.243 nan 8.300 nan 0.000 0.457 141 S N -1.087 114.815 115.700 0.337 0.000 2.752 141 S HA 0.734 5.215 4.470 0.018 0.000 0.284 141 S C 0.074 174.797 174.600 0.205 0.000 1.189 141 S CA -0.445 57.905 58.200 0.249 0.000 0.835 141 S CB 0.911 64.182 63.200 0.118 0.000 1.192 141 S HN 2.689 nan 8.310 nan 0.000 0.506 142 G N -0.569 108.290 108.800 0.097 0.000 2.132 142 G HA2 -0.148 3.823 3.960 0.018 0.000 0.228 142 G HA3 -0.148 3.823 3.960 0.018 0.000 0.228 142 G C -0.203 174.662 174.900 -0.057 0.000 1.000 142 G CA -0.114 44.979 45.100 -0.011 0.000 0.693 142 G HN 1.318 nan 8.290 nan 0.000 0.515 143 V N 2.058 121.967 119.914 -0.008 0.000 2.408 143 V HA 0.505 4.636 4.120 0.018 0.000 0.267 143 V C 0.767 176.817 176.094 -0.074 0.000 1.047 143 V CA -0.258 62.000 62.300 -0.070 0.000 0.937 143 V CB 1.296 33.136 31.823 0.028 0.000 0.999 143 V HN 0.324 nan 8.190 nan 0.000 0.472 144 L N 5.181 126.343 121.223 -0.103 0.000 2.298 144 L HA 0.436 4.786 4.340 0.018 0.000 0.284 144 L C 0.940 177.785 176.870 -0.042 0.000 1.013 144 L CA -0.171 54.621 54.840 -0.080 0.000 0.824 144 L CB 1.729 43.739 42.059 -0.081 0.000 1.221 144 L HN 0.770 nan 8.230 nan 0.000 0.418 145 S N 1.769 117.465 115.700 -0.008 0.000 2.514 145 S HA 0.170 4.651 4.470 0.018 0.000 0.223 145 S C 0.322 174.896 174.600 -0.043 0.000 1.046 145 S CA -0.212 57.961 58.200 -0.045 0.000 0.914 145 S CB 0.425 63.593 63.200 -0.053 0.000 0.807 145 S HN 0.744 nan 8.310 nan 0.000 0.497 146 K N -0.378 120.028 120.400 0.010 0.000 2.615 146 K HA 0.793 5.124 4.320 0.018 0.000 0.291 146 K C -1.784 174.901 176.600 0.142 0.000 1.017 146 K CA -0.976 55.310 56.287 -0.002 0.000 0.882 146 K CB 1.278 33.694 32.500 -0.139 0.000 1.522 146 K HN 0.233 nan 8.250 nan 0.000 0.412 147 A N 1.081 123.982 122.820 0.134 0.000 2.574 147 A HA 0.526 4.856 4.320 0.018 0.000 0.297 147 A C -1.884 175.814 177.584 0.190 0.000 1.062 147 A CA -0.866 51.319 52.037 0.247 0.000 0.686 147 A CB 1.486 20.619 19.000 0.222 0.000 1.285 147 A HN 0.686 nan 8.150 nan 0.000 0.403 148 D N 0.801 121.334 120.400 0.222 0.000 2.210 148 D HA 0.509 5.160 4.640 0.018 0.000 0.249 148 D C -0.476 175.834 176.300 0.017 0.000 1.062 148 D CA 0.082 54.136 54.000 0.090 0.000 0.891 148 D CB 1.850 42.760 40.800 0.183 0.000 1.186 148 D HN 0.239 nan 8.370 nan 0.000 0.432 149 V N 1.805 121.620 119.914 -0.164 0.000 2.448 149 V HA 0.423 4.554 4.120 0.018 0.000 0.295 149 V C -0.855 175.068 176.094 -0.284 0.000 1.025 149 V CA -0.897 61.222 62.300 -0.301 0.000 0.859 149 V CB 1.356 32.990 31.823 -0.315 0.000 0.988 149 V HN 0.456 nan 8.190 nan 0.000 0.431 150 W N 2.845 124.049 121.300 -0.161 0.000 2.702 150 W HA 0.778 5.448 4.660 0.018 0.000 0.331 150 W C -0.842 175.628 176.519 -0.082 0.000 1.049 150 W CA -0.685 56.633 57.345 -0.045 0.000 1.230 150 W CB 2.259 31.761 29.460 0.071 0.000 1.408 150 W HN 0.336 nan 8.180 nan 0.000 0.492 151 V N 4.306 124.317 119.914 0.163 0.000 2.525 151 V HA 0.257 4.388 4.120 0.018 0.000 0.299 151 V C -0.320 175.840 176.094 0.110 0.000 1.034 151 V CA -1.438 60.915 62.300 0.088 0.000 0.863 151 V CB 1.500 33.330 31.823 0.012 0.000 0.999 151 V HN 0.679 nan 8.190 nan 0.000 0.423 152 N N 3.956 122.709 118.700 0.088 0.000 2.688 152 N HA -0.218 4.532 4.740 0.018 0.000 0.258 152 N C 1.229 176.820 175.510 0.135 0.000 1.016 152 N CA 1.473 54.581 53.050 0.097 0.000 0.747 152 N CB -0.913 37.628 38.487 0.091 0.000 0.895 152 N HN 1.619 nan 8.380 nan 0.000 0.543 153 G N -1.916 106.981 108.800 0.162 0.000 2.184 153 G HA2 -0.334 3.637 3.960 0.018 0.000 0.264 153 G HA3 -0.334 3.637 3.960 0.018 0.000 0.264 153 G C 0.140 175.308 174.900 0.445 0.000 0.975 153 G CA 0.894 46.120 45.100 0.209 0.000 0.642 153 G HN 0.591 nan 8.290 nan 0.000 0.536 154 T N 0.803 115.589 114.554 0.387 0.000 2.770 154 T HA 0.495 4.855 4.350 0.018 0.000 0.283 154 T C 0.098 174.765 174.700 -0.055 0.000 0.988 154 T CA -0.472 61.748 62.100 0.200 0.000 0.957 154 T CB 1.918 70.827 68.868 0.067 0.000 0.930 154 T HN 0.355 nan 8.240 nan 0.000 0.443 155 K N 3.495 123.468 120.400 -0.712 0.000 2.315 155 K HA 0.201 4.531 4.320 0.018 0.000 0.291 155 K C 1.143 177.406 176.600 -0.562 0.000 1.074 155 K CA -0.300 55.200 56.287 -1.312 0.000 0.936 155 K CB 0.265 31.724 32.500 -1.735 0.000 1.049 155 K HN 0.533 nan 8.250 nan 0.000 0.471 156 V N 1.124 120.806 119.914 -0.387 0.000 3.506 156 V HA 0.360 4.491 4.120 0.018 0.000 0.263 156 V C 0.347 176.343 176.094 -0.163 0.000 1.203 156 V CA 0.470 62.649 62.300 -0.202 0.000 1.133 156 V CB -0.151 31.604 31.823 -0.112 0.000 0.802 156 V HN 0.616 nan 8.190 nan 0.000 0.459 157 A N 0.442 123.137 122.820 -0.209 0.000 2.589 157 A HA 0.734 5.065 4.320 0.018 0.000 0.296 157 A C -0.170 177.316 177.584 -0.164 0.000 1.062 157 A CA 0.141 52.094 52.037 -0.140 0.000 0.686 157 A CB 1.312 20.271 19.000 -0.068 0.000 1.282 157 A HN 0.588 nan 8.150 nan 0.000 0.404 158 T N -1.367 113.113 114.554 -0.123 0.000 2.936 158 T HA 0.461 4.822 4.350 0.018 0.000 0.282 158 T C 0.914 175.559 174.700 -0.093 0.000 1.003 158 T CA -0.046 61.992 62.100 -0.104 0.000 1.005 158 T CB 1.202 70.012 68.868 -0.096 0.000 1.097 158 T HN 0.829 nan 8.240 nan 0.000 0.532 159 K N 0.189 120.524 120.400 -0.110 0.000 2.360 159 K HA -0.085 4.245 4.320 0.018 0.000 0.201 159 K C 0.885 177.374 176.600 -0.186 0.000 1.046 159 K CA 1.219 57.392 56.287 -0.190 0.000 0.945 159 K CB -0.184 32.014 32.500 -0.502 0.000 0.750 159 K HN 0.449 nan 8.250 nan 0.000 0.464 160 D N 1.221 121.531 120.400 -0.150 0.000 2.162 160 D HA -0.134 4.516 4.640 0.018 0.000 0.203 160 D C 1.930 178.179 176.300 -0.085 0.000 0.967 160 D CA 0.969 54.897 54.000 -0.120 0.000 0.840 160 D CB 0.041 40.781 40.800 -0.101 0.000 0.972 160 D HN 0.379 nan 8.370 nan 0.000 0.482 161 Q N 0.374 120.127 119.800 -0.077 0.000 2.212 161 Q HA -0.008 4.343 4.340 0.018 0.000 0.199 161 Q C -0.051 175.913 176.000 -0.059 0.000 0.950 161 Q CA 0.594 56.369 55.803 -0.046 0.000 0.863 161 Q CB 0.718 29.428 28.738 -0.047 0.000 0.944 161 Q HN -0.002 nan 8.270 nan 0.000 0.465 162 V N 2.901 122.721 119.914 -0.156 0.000 2.239 162 V HA 0.316 4.446 4.120 0.018 0.000 0.267 162 V C -0.617 175.419 176.094 -0.097 0.000 1.056 162 V CA -0.700 61.402 62.300 -0.330 0.000 0.830 162 V CB 0.779 32.426 31.823 -0.293 0.000 1.090 162 V HN 0.172 nan 8.190 nan 0.000 0.459 163 N N 3.212 121.918 118.700 0.011 0.000 2.454 163 N HA 0.652 5.402 4.740 0.018 0.000 0.291 163 N C -0.410 175.098 175.510 -0.004 0.000 1.079 163 N CA 0.598 53.630 53.050 -0.031 0.000 0.893 163 N CB 2.318 40.744 38.487 -0.101 0.000 1.512 163 N HN 0.878 nan 8.380 nan 0.000 0.497 164 G N 1.670 110.446 108.800 -0.040 0.000 3.225 164 G HA2 0.168 4.139 3.960 0.018 0.000 0.686 164 G HA3 0.168 4.139 3.960 0.018 0.000 0.686 164 G C 0.731 175.625 174.900 -0.010 0.000 1.105 164 G CA -0.066 44.998 45.100 -0.060 0.000 0.831 164 G HN 0.833 nan 8.290 nan 0.000 0.578 165 A N 1.871 124.624 122.820 -0.113 0.000 1.948 165 A HA -0.040 4.291 4.320 0.018 0.000 0.220 165 A C 1.775 179.233 177.584 -0.210 0.000 1.177 165 A CA 2.531 54.425 52.037 -0.239 0.000 0.636 165 A CB -0.373 18.329 19.000 -0.497 0.000 0.815 165 A HN 1.197 nan 8.150 nan 0.000 0.449 166 Y N 0.444 120.834 120.300 0.151 0.000 2.462 166 Y HA 0.091 4.652 4.550 0.018 0.000 0.261 166 Y C 1.258 177.207 175.900 0.081 0.000 1.146 166 Y CA 0.313 58.505 58.100 0.153 0.000 1.283 166 Y CB 0.029 38.652 38.460 0.272 0.000 1.090 166 Y HN 0.302 nan 8.280 nan 0.000 0.526 167 T N -0.343 114.303 114.554 0.155 0.000 2.814 167 T HA 0.234 4.594 4.350 0.018 0.000 0.297 167 T C -0.084 174.457 174.700 -0.266 0.000 0.956 167 T CA -0.841 61.243 62.100 -0.027 0.000 1.123 167 T CB 1.558 70.412 68.868 -0.024 0.000 0.902 167 T HN 0.188 nan 8.240 nan 0.000 0.528 168 R N 1.931 122.218 120.500 -0.355 0.000 2.500 168 R HA 0.325 4.675 4.340 0.018 0.000 0.275 168 R C -0.523 175.254 176.300 -0.870 0.000 1.051 168 R CA -0.647 55.206 56.100 -0.411 0.000 1.088 168 R CB 0.490 30.690 30.300 -0.166 0.000 1.063 168 R HN 0.795 nan 8.270 nan 0.000 0.511 169 H N 1.501 120.347 119.070 -0.374 0.000 2.856 169 H HA 0.145 4.712 4.556 0.018 0.000 0.355 169 H C -1.329 173.823 175.328 -0.294 0.000 1.079 169 H CA -0.760 55.042 56.048 -0.411 0.000 1.240 169 H CB 2.153 31.491 29.762 -0.707 0.000 1.701 169 H HN 0.542 nan 8.280 nan 0.000 0.527 170 D N 3.898 124.299 120.400 0.001 0.000 2.434 170 D HA 0.208 4.859 4.640 0.018 0.000 0.275 170 D C -0.546 175.864 176.300 0.183 0.000 1.172 170 D CA -0.378 53.671 54.000 0.081 0.000 0.916 170 D CB 0.170 40.989 40.800 0.031 0.000 1.041 170 D HN 0.368 nan 8.370 nan 0.000 0.501 171 L N 2.086 123.449 121.223 0.234 0.000 2.283 171 L HA 0.275 4.626 4.340 0.018 0.000 0.287 171 L C 0.541 177.546 176.870 0.225 0.000 1.073 171 L CA -0.701 54.266 54.840 0.211 0.000 0.822 171 L CB 0.892 43.065 42.059 0.191 0.000 1.186 171 L HN 0.157 nan 8.230 nan 0.000 0.436 172 D N 5.075 125.577 120.400 0.171 0.000 2.349 172 D HA 0.092 4.743 4.640 0.018 0.000 0.266 172 D C 0.652 176.886 176.300 -0.110 0.000 1.293 172 D CA 0.116 54.074 54.000 -0.070 0.000 0.926 172 D CB 0.717 41.532 40.800 0.026 0.000 1.090 172 D HN 0.527 nan 8.370 nan 0.000 0.502 173 I N 0.488 120.949 120.570 -0.182 0.000 3.856 173 I HA 0.153 4.333 4.170 0.018 0.000 0.330 173 I C 1.060 177.100 176.117 -0.129 0.000 1.546 173 I CA -0.545 60.692 61.300 -0.105 0.000 1.132 173 I CB 0.405 38.378 38.000 -0.045 0.000 1.157 173 I HN -0.032 nan 8.210 nan 0.000 0.440 174 T N 1.622 116.063 114.554 -0.187 0.000 2.684 174 T HA -0.191 4.170 4.350 0.018 0.000 0.267 174 T C 2.161 176.816 174.700 -0.074 0.000 1.036 174 T CA 2.079 64.094 62.100 -0.142 0.000 1.148 174 T CB -0.197 68.578 68.868 -0.154 0.000 0.863 174 T HN 0.618 nan 8.240 nan 0.000 0.436 175 A N 0.940 123.724 122.820 -0.060 0.000 2.024 175 A HA -0.169 4.161 4.320 0.018 0.000 0.220 175 A C 2.168 179.745 177.584 -0.012 0.000 1.164 175 A CA 1.558 53.579 52.037 -0.028 0.000 0.643 175 A CB -0.462 18.525 19.000 -0.023 0.000 0.806 175 A HN 0.486 nan 8.150 nan 0.000 0.451 176 Q N -1.466 118.319 119.800 -0.026 0.000 2.352 176 Q HA 0.295 4.646 4.340 0.018 0.000 0.212 176 Q C 0.036 176.006 176.000 -0.049 0.000 0.888 176 Q CA 0.087 55.884 55.803 -0.011 0.000 0.934 176 Q CB 0.614 29.346 28.738 -0.010 0.000 1.093 176 Q HN 0.342 nan 8.270 nan 0.000 0.523 177 V N 2.813 122.678 119.914 -0.082 0.000 2.607 177 V HA 0.218 4.348 4.120 0.018 0.000 0.289 177 V C -0.025 176.006 176.094 -0.106 0.000 1.053 177 V CA -0.462 61.737 62.300 -0.168 0.000 0.996 177 V CB 0.794 32.547 31.823 -0.116 0.000 0.995 177 V HN 0.401 nan 8.190 nan 0.000 0.476 178 H N 1.174 120.251 119.070 0.012 0.000 2.907 178 H HA 0.689 5.256 4.556 0.018 0.000 0.361 178 H C 0.002 175.339 175.328 0.015 0.000 1.194 178 H CA -0.553 55.502 56.048 0.011 0.000 1.152 178 H CB 1.610 31.379 29.762 0.011 0.000 1.867 178 H HN 0.657 nan 8.280 nan 0.000 0.561 179 T N -0.132 114.553 114.554 0.218 0.000 2.906 179 T HA 0.416 4.776 4.350 0.018 0.000 0.320 179 T C 1.182 176.002 174.700 0.200 0.000 1.088 179 T CA 1.509 63.696 62.100 0.145 0.000 1.120 179 T CB -0.453 nan 68.868 nan 0.000 1.000 179 T HN 1.185 nan 8.240 nan 0.000 0.550 180 G N 0.141 109.016 108.800 0.125 0.000 2.488 180 G HA2 -0.017 3.953 3.960 0.018 0.000 0.237 180 G HA3 -0.017 3.953 3.960 0.018 0.000 0.237 180 G C -0.144 174.826 174.900 0.118 0.000 1.209 180 G CA -0.110 45.057 45.100 0.112 0.000 0.929 180 G HN 1.506 nan 8.290 nan 0.000 0.578 181 V N 3.165 123.155 119.914 0.125 0.000 2.408 181 V HA 0.390 4.521 4.120 0.018 0.000 0.267 181 V C 0.570 176.752 176.094 0.148 0.000 1.047 181 V CA -0.336 62.027 62.300 0.104 0.000 0.937 181 V CB 0.740 32.606 31.823 0.072 0.000 0.999 181 V HN 0.608 nan 8.190 nan 0.000 0.472 182 N N 2.676 121.402 118.700 0.045 0.000 2.471 182 N HA 0.617 5.367 4.740 0.018 0.000 0.288 182 N C -0.815 174.701 175.510 0.011 0.000 1.220 182 N CA -0.552 52.475 53.050 -0.038 0.000 0.893 182 N CB 2.148 40.524 38.487 -0.186 0.000 1.256 182 N HN 0.549 nan 8.380 nan 0.000 0.534 183 S N 0.272 115.977 115.700 0.008 0.000 2.540 183 S HA 0.509 4.990 4.470 0.018 0.000 0.275 183 S C -0.888 173.740 174.600 0.047 0.000 1.123 183 S CA -0.628 57.592 58.200 0.033 0.000 0.907 183 S CB 1.976 65.187 63.200 0.018 0.000 1.081 183 S HN 0.241 nan 8.310 nan 0.000 0.476 184 V N 1.760 121.729 119.914 0.091 0.000 2.588 184 V HA 0.934 5.065 4.120 0.018 0.000 0.304 184 V C -0.376 175.826 176.094 0.180 0.000 1.042 184 V CA -0.577 61.785 62.300 0.103 0.000 0.877 184 V CB 1.521 33.426 31.823 0.137 0.000 0.996 184 V HN 1.025 nan 8.190 nan 0.000 0.425 185 A N 4.177 127.091 122.820 0.158 0.000 2.427 185 A HA 0.896 5.227 4.320 0.018 0.000 0.298 185 A C -1.344 176.426 177.584 0.311 0.000 1.036 185 A CA -0.400 51.858 52.037 0.367 0.000 0.701 185 A CB 1.122 20.337 19.000 0.357 0.000 1.250 185 A HN 0.615 nan 8.150 nan 0.000 0.412 186 F N 1.475 121.642 119.950 0.362 0.000 2.420 186 F HA 0.470 5.008 4.527 0.018 0.000 0.342 186 F C 0.808 176.564 175.800 -0.073 0.000 1.113 186 F CA -0.363 57.718 58.000 0.136 0.000 1.059 186 F CB 2.030 40.986 39.000 -0.073 0.000 1.128 186 F HN 0.531 nan 8.300 nan 0.000 0.475 187 K N 4.103 124.323 120.400 -0.301 0.000 2.244 187 K HA 0.399 4.730 4.320 0.018 0.000 0.263 187 K C -1.210 175.169 176.600 -0.368 0.000 1.103 187 K CA -0.278 55.455 56.287 -0.923 0.000 0.966 187 K CB 0.529 32.251 32.500 -1.297 0.000 1.429 187 K HN 0.499 nan 8.250 nan 0.000 0.434 188 V N 5.693 125.496 119.914 -0.184 0.000 2.455 188 V HA 0.124 4.255 4.120 0.018 0.000 0.273 188 V C -0.199 175.865 176.094 -0.049 0.000 1.045 188 V CA -0.468 61.817 62.300 -0.025 0.000 0.976 188 V CB -0.110 31.696 31.823 -0.028 0.000 0.993 188 V HN 0.522 nan 8.190 nan 0.000 0.475 189 Y N 6.619 126.903 120.300 -0.026 0.000 2.307 189 Y HA 0.326 4.887 4.550 0.018 0.000 0.324 189 Y C -1.529 174.384 175.900 0.021 0.000 1.238 189 Y CA -2.264 55.837 58.100 0.000 0.000 1.280 189 Y CB 0.687 39.133 38.460 -0.023 0.000 1.248 189 Y HN 0.451 nan 8.280 nan 0.000 0.508 190 P HA -0.107 nan 4.420 nan 0.000 0.270 190 P C -1.027 176.321 177.300 0.081 0.000 1.221 190 P CA 0.089 63.270 63.100 0.134 0.000 0.788 190 P CB 0.638 32.425 31.700 0.145 0.000 0.904 191 N N 0.576 119.300 118.700 0.039 0.000 2.354 191 N HA 0.291 5.041 4.740 0.018 0.000 0.287 191 N C -1.750 173.753 175.510 -0.013 0.000 1.016 191 N CA -0.485 52.563 53.050 -0.004 0.000 0.871 191 N CB 0.794 39.267 38.487 -0.023 0.000 1.299 191 N HN 0.183 nan 8.380 nan 0.000 0.482 192 D N 4.015 124.393 120.400 -0.036 0.000 2.473 192 D HA 0.401 5.052 4.640 0.018 0.000 0.253 192 D C -2.182 174.075 176.300 -0.072 0.000 1.233 192 D CA -2.201 51.775 54.000 -0.040 0.000 0.908 192 D CB 2.078 42.859 40.800 -0.032 0.000 1.170 192 D HN 0.315 nan 8.370 nan 0.000 0.558 193 P HA -0.006 nan 4.420 nan 0.000 0.225 193 P C 0.443 177.695 177.300 -0.079 0.000 1.148 193 P CA 0.919 63.974 63.100 -0.076 0.000 0.779 193 P CB 0.269 31.933 31.700 -0.060 0.000 0.780 194 N N -1.144 117.516 118.700 -0.067 0.000 2.333 194 N HA -0.018 4.733 4.740 0.018 0.000 0.178 194 N C 1.927 177.374 175.510 -0.105 0.000 1.018 194 N CA 0.236 53.248 53.050 -0.062 0.000 0.882 194 N CB -0.104 38.361 38.487 -0.036 0.000 0.984 194 N HN 0.026 nan 8.380 nan 0.000 0.434 195 R N 0.562 120.988 120.500 -0.124 0.000 2.128 195 R HA 0.069 4.420 4.340 0.018 0.000 0.211 195 R C -0.654 175.493 176.300 -0.253 0.000 1.067 195 R CA 0.664 56.668 56.100 -0.159 0.000 1.010 195 R CB 0.452 30.682 30.300 -0.116 0.000 0.922 195 R HN 0.111 nan 8.270 nan 0.000 0.457 196 D N 1.220 121.467 120.400 -0.254 0.000 2.192 196 D HA 0.148 4.799 4.640 0.018 0.000 0.246 196 D C -0.508 175.512 176.300 -0.467 0.000 1.042 196 D CA -0.387 53.420 54.000 -0.321 0.000 0.847 196 D CB 2.063 42.735 40.800 -0.214 0.000 1.186 196 D HN 0.107 nan 8.370 nan 0.000 0.461 197 L N 2.180 123.009 121.223 -0.656 0.000 2.451 197 L HA 0.072 4.422 4.340 0.018 0.000 0.272 197 L C 0.893 177.502 176.870 -0.436 0.000 1.258 197 L CA 0.378 54.586 54.840 -1.053 0.000 1.132 197 L CB -0.365 40.955 42.059 -1.232 0.000 1.361 197 L HN 0.251 nan 8.230 nan 0.000 0.438 198 S N 1.967 117.604 115.700 -0.106 0.000 3.939 198 S HA 0.660 5.140 4.470 0.018 0.000 0.302 198 S C -0.841 173.842 174.600 0.139 0.000 1.108 198 S CA -0.657 57.546 58.200 0.004 0.000 1.225 198 S CB 1.117 64.246 63.200 -0.118 0.000 1.467 198 S HN 0.340 nan 8.310 nan 0.000 0.735 199 M N 1.126 120.671 119.600 -0.092 0.000 2.393 199 M HA 0.628 5.119 4.480 0.018 0.000 0.316 199 M C -0.094 176.021 176.300 -0.309 0.000 1.087 199 M CA -0.650 54.480 55.300 -0.283 0.000 0.937 199 M CB 1.952 34.304 32.600 -0.413 0.000 1.668 199 M HN 0.739 nan 8.290 nan 0.000 0.438 200 G N 0.528 109.073 108.800 -0.426 0.000 2.658 200 G HA2 0.604 4.575 3.960 0.018 0.000 0.292 200 G HA3 0.604 4.575 3.960 0.018 0.000 0.292 200 G C -1.551 173.040 174.900 -0.515 0.000 1.320 200 G CA -0.494 44.407 45.100 -0.331 0.000 0.933 200 G HN 0.955 nan 8.290 nan 0.000 0.476 201 W N 0.646 121.839 121.300 -0.178 0.000 3.123 201 W HA 0.386 5.057 4.660 0.019 0.000 0.383 201 W C 1.387 177.607 176.519 -0.498 0.000 1.102 201 W CA -0.399 56.725 57.345 -0.367 0.000 1.865 201 W CB -0.429 28.862 29.460 -0.282 0.000 1.111 201 W HN 0.522 nan 8.180 nan 0.000 0.621 202 I N 1.038 121.488 120.570 -0.202 0.000 4.907 202 I HA -0.504 3.676 4.170 0.018 0.000 0.038 202 I C 1.350 177.488 176.117 0.035 0.000 0.635 202 I CA 2.159 63.383 61.300 -0.127 0.000 0.210 202 I CB -0.784 37.071 38.000 -0.242 0.000 0.322 202 I HN 0.090 nan 8.210 nan 0.000 0.151 203 D N -1.252 119.261 120.400 0.188 0.000 2.673 203 D HA 0.095 4.745 4.640 0.018 0.000 0.278 203 D C 0.746 177.396 176.300 0.584 0.000 1.393 203 D CA -0.324 53.906 54.000 0.382 0.000 0.805 203 D CB -0.342 40.776 40.800 0.531 0.000 1.110 203 D HN 0.546 nan 8.370 nan 0.000 0.476 204 W N 1.665 123.162 121.300 0.329 0.000 2.436 204 W HA 0.522 5.192 4.660 0.018 0.000 0.284 204 W C 1.233 177.808 176.519 0.093 0.000 1.225 204 W CA 0.655 58.187 57.345 0.311 0.000 1.271 204 W CB -0.538 29.062 29.460 0.234 0.000 1.114 204 W HN 0.285 nan 8.180 nan 0.000 0.559 205 A N -1.388 121.482 122.820 0.083 0.000 3.659 205 A HA 0.523 4.854 4.320 0.018 0.000 0.161 205 A C -0.610 176.711 177.584 -0.439 0.000 0.887 205 A CA -0.347 51.523 52.037 -0.278 0.000 1.478 205 A CB 0.503 18.983 19.000 -0.867 0.000 2.236 205 A HN -0.153 nan 8.150 nan 0.000 0.915 206 Q N 0.292 119.579 119.800 -0.856 0.000 2.423 206 Q HA 0.486 4.836 4.340 0.018 0.000 0.278 206 Q C -1.403 174.267 176.000 -0.549 0.000 1.097 206 Q CA -0.492 54.921 55.803 -0.650 0.000 0.809 206 Q CB 1.725 29.957 28.738 -0.843 0.000 1.391 206 Q HN 0.628 nan 8.270 nan 0.000 0.428 207 T N 4.061 118.446 114.554 -0.280 0.000 2.784 207 T HA 0.192 4.553 4.350 0.018 0.000 0.291 207 T C -2.168 172.418 174.700 -0.190 0.000 0.942 207 T CA -0.736 61.261 62.100 -0.171 0.000 1.161 207 T CB -0.051 68.776 68.868 -0.068 0.000 0.885 207 T HN 0.240 nan 8.240 nan 0.000 0.534 208 P HA 0.130 nan 4.420 nan 0.000 0.268 208 P C -1.886 175.271 177.300 -0.238 0.000 1.205 208 P CA -1.610 61.416 63.100 -0.122 0.000 0.771 208 P CB 0.497 32.241 31.700 0.073 0.000 0.858 209 P HA -0.199 nan 4.420 nan 0.000 0.216 209 P C 0.917 177.956 177.300 -0.435 0.000 1.150 209 P CA 1.679 64.551 63.100 -0.381 0.000 0.837 209 P CB -0.140 31.255 31.700 -0.508 0.000 0.786 210 D N -0.759 119.110 120.400 -0.885 0.000 2.349 210 D HA -0.108 4.543 4.640 0.018 0.000 0.224 210 D C 0.872 176.953 176.300 -0.365 0.000 1.029 210 D CA 0.073 53.433 54.000 -1.067 0.000 0.879 210 D CB -0.962 39.034 40.800 -1.341 0.000 0.906 210 D HN 0.105 nan 8.370 nan 0.000 0.528 211 Q N 0.320 119.997 119.800 -0.206 0.000 2.434 211 Q HA -0.286 4.065 4.340 0.018 0.000 0.299 211 Q C -0.490 175.501 176.000 -0.015 0.000 1.286 211 Q CA 0.849 56.620 55.803 -0.054 0.000 0.872 211 Q CB -1.609 27.113 28.738 -0.027 0.000 1.193 211 Q HN 0.364 nan 8.270 nan 0.000 0.466 212 N N -2.233 116.467 118.700 0.000 0.000 2.828 212 N HA -0.238 4.512 4.740 0.018 0.000 0.248 212 N C 0.176 175.680 175.510 -0.010 0.000 1.044 212 N CA 1.627 54.712 53.050 0.059 0.000 0.851 212 N CB -1.864 36.707 38.487 0.140 0.000 1.136 212 N HN 0.751 nan 8.380 nan 0.000 0.572 213 M N -0.639 118.923 119.600 -0.063 0.000 2.250 213 M HA 0.386 4.877 4.480 0.018 0.000 0.337 213 M C 1.018 177.293 176.300 -0.042 0.000 1.161 213 M CA 1.272 56.542 55.300 -0.050 0.000 1.088 213 M CB 0.749 33.332 32.600 -0.027 0.000 1.639 213 M HN 0.238 nan 8.290 nan 0.000 0.447 214 G N 3.086 111.834 108.800 -0.087 0.000 2.302 214 G HA2 0.228 4.199 3.960 0.018 0.000 0.264 214 G HA3 0.228 4.199 3.960 0.018 0.000 0.264 214 G C -1.588 173.055 174.900 -0.428 0.000 1.335 214 G CA -0.923 44.039 45.100 -0.229 0.000 0.982 214 G HN 0.873 nan 8.290 nan 0.000 0.473 215 I N 1.780 122.003 120.570 -0.579 0.000 2.420 215 I HA 0.364 4.545 4.170 0.018 0.000 0.282 215 I C 1.045 177.049 176.117 -0.187 0.000 1.019 215 I CA -0.778 60.236 61.300 -0.477 0.000 1.130 215 I CB 1.818 39.338 38.000 -0.799 0.000 1.262 215 I HN 0.663 nan 8.210 nan 0.000 0.454 216 V N 2.206 122.062 119.914 -0.096 0.000 3.376 216 V HA 0.449 4.580 4.120 0.018 0.000 0.313 216 V C 0.654 176.748 176.094 -0.000 0.000 1.393 216 V CA 0.150 62.450 62.300 -0.000 0.000 1.125 216 V CB -0.529 31.310 31.823 0.027 0.000 1.037 216 V HN 0.690 nan 8.190 nan 0.000 0.440 217 R N -0.395 120.095 120.500 -0.016 0.000 2.922 217 R HA 0.520 4.870 4.340 0.018 0.000 0.256 217 R C -1.205 175.114 176.300 0.031 0.000 1.138 217 R CA -0.968 55.126 56.100 -0.009 0.000 0.995 217 R CB 0.947 31.256 30.300 0.015 0.000 1.226 217 R HN 0.194 nan 8.270 nan 0.000 0.481 218 D N 0.833 121.264 120.400 0.052 0.000 2.345 218 D HA 0.151 4.801 4.640 0.018 0.000 0.247 218 D C -0.599 175.788 176.300 0.145 0.000 1.108 218 D CA 0.001 54.062 54.000 0.102 0.000 0.894 218 D CB 1.384 42.241 40.800 0.096 0.000 1.203 218 D HN 0.010 nan 8.370 nan 0.000 0.430 219 V N 3.649 123.658 119.914 0.158 0.000 2.406 219 V HA 0.182 4.312 4.120 0.018 0.000 0.272 219 V C 0.435 176.668 176.094 0.233 0.000 1.043 219 V CA -0.561 61.867 62.300 0.214 0.000 0.915 219 V CB 0.774 32.675 31.823 0.131 0.000 0.988 219 V HN 0.303 nan 8.190 nan 0.000 0.466 220 L N 5.761 127.144 121.223 0.267 0.000 2.275 220 L HA 0.452 4.802 4.340 0.018 0.000 0.288 220 L C -0.269 176.743 176.870 0.235 0.000 1.046 220 L CA -0.584 54.384 54.840 0.214 0.000 0.805 220 L CB 1.754 43.923 42.059 0.183 0.000 1.193 220 L HN 0.360 nan 8.230 nan 0.000 0.426 221 V N 5.079 125.108 119.914 0.191 0.000 2.408 221 V HA 0.313 4.444 4.120 0.018 0.000 0.267 221 V C 0.332 176.532 176.094 0.176 0.000 1.047 221 V CA -0.401 62.011 62.300 0.186 0.000 0.937 221 V CB 0.912 32.822 31.823 0.145 0.000 0.999 221 V HN 0.686 nan 8.190 nan 0.000 0.472 222 R N 4.871 125.504 120.500 0.222 0.000 2.514 222 R HA 0.664 5.015 4.340 0.018 0.000 0.301 222 R C -0.752 175.713 176.300 0.275 0.000 0.962 222 R CA -0.912 55.322 56.100 0.223 0.000 0.882 222 R CB 1.837 32.262 30.300 0.208 0.000 1.143 222 R HN 0.539 nan 8.270 nan 0.000 0.452 223 R N 1.288 121.910 120.500 0.203 0.000 2.534 223 R HA 0.465 4.816 4.340 0.018 0.000 0.301 223 R C -0.783 175.623 176.300 0.176 0.000 0.961 223 R CA -0.655 55.560 56.100 0.190 0.000 0.871 223 R CB 1.973 32.345 30.300 0.120 0.000 1.170 223 R HN 0.913 nan 8.270 nan 0.000 0.446 224 S N -0.710 115.120 115.700 0.216 0.000 2.615 224 S HA 0.691 5.171 4.470 0.018 0.000 0.269 224 S C 0.141 174.837 174.600 0.160 0.000 1.161 224 S CA -0.541 57.759 58.200 0.168 0.000 0.817 224 S CB 1.866 65.155 63.200 0.149 0.000 1.131 224 S HN 0.564 nan 8.310 nan 0.000 0.467 225 G N 0.506 109.375 108.800 0.115 0.000 2.873 225 G HA2 0.512 4.483 3.960 0.018 0.000 0.170 225 G HA3 0.512 4.483 3.960 0.018 0.000 0.170 225 G C 1.263 176.227 174.900 0.108 0.000 1.608 225 G CA -0.126 45.030 45.100 0.094 0.000 1.084 225 G HN 1.371 nan 8.290 nan 0.000 0.563 226 A N -1.634 121.234 122.820 0.080 0.000 2.019 226 A HA 0.273 4.604 4.320 0.018 0.000 0.219 226 A C 0.871 178.507 177.584 0.087 0.000 1.164 226 A CA 1.112 53.195 52.037 0.076 0.000 0.644 226 A CB -0.358 18.674 19.000 0.053 0.000 0.805 226 A HN 0.399 nan 8.150 nan 0.000 0.449 227 V N -0.183 119.777 119.914 0.076 0.000 2.448 227 V HA 0.616 4.747 4.120 0.018 0.000 0.295 227 V C 0.112 176.232 176.094 0.044 0.000 1.025 227 V CA -0.451 61.883 62.300 0.057 0.000 0.859 227 V CB 1.200 33.047 31.823 0.039 0.000 0.988 227 V HN 0.466 nan 8.190 nan 0.000 0.431 228 A N 5.104 127.928 122.820 0.007 0.000 2.292 228 A HA 0.801 5.132 4.320 0.018 0.000 0.319 228 A C -0.918 176.632 177.584 -0.055 0.000 1.206 228 A CA -0.470 51.518 52.037 -0.082 0.000 0.835 228 A CB 0.948 19.799 19.000 -0.249 0.000 1.164 228 A HN 0.697 nan 8.150 nan 0.000 0.505 229 L N 3.055 124.250 121.223 -0.046 0.000 2.289 229 L HA 0.660 5.011 4.340 0.018 0.000 0.285 229 L C -0.133 176.722 176.870 -0.025 0.000 1.049 229 L CA 0.211 55.044 54.840 -0.011 0.000 0.804 229 L CB 0.657 42.725 42.059 0.015 0.000 1.195 229 L HN 0.761 nan 8.230 nan 0.000 0.428 230 R N 2.643 123.144 120.500 0.001 0.000 2.707 230 R HA 0.325 4.676 4.340 0.018 0.000 0.272 230 R C -0.011 176.321 176.300 0.054 0.000 1.011 230 R CA -0.434 55.671 56.100 0.008 0.000 0.893 230 R CB 1.457 31.753 30.300 -0.007 0.000 1.233 230 R HN 0.585 nan 8.270 nan 0.000 0.464 231 S N -0.147 115.588 115.700 0.059 0.000 3.587 231 S HA -0.226 4.254 4.470 0.018 0.000 0.337 231 S C -0.111 174.609 174.600 0.201 0.000 1.119 231 S CA 0.753 59.011 58.200 0.097 0.000 0.976 231 S CB -0.859 62.416 63.200 0.126 0.000 0.922 231 S HN 0.822 nan 8.310 nan 0.000 0.503 232 A N 2.514 125.411 122.820 0.129 0.000 2.491 232 A HA 0.516 4.847 4.320 0.018 0.000 0.261 232 A C 0.340 178.002 177.584 0.131 0.000 1.101 232 A CA 0.653 52.754 52.037 0.106 0.000 0.772 232 A CB 0.034 19.061 19.000 0.044 0.000 1.043 232 A HN 0.900 nan 8.150 nan 0.000 0.501 233 H N -0.647 118.384 119.070 -0.064 0.000 2.942 233 H HA 0.713 5.280 4.556 0.018 0.000 0.316 233 H C -1.904 173.303 175.328 -0.201 0.000 1.323 233 H CA -1.372 54.601 56.048 -0.125 0.000 1.144 233 H CB 1.223 30.917 29.762 -0.113 0.000 1.866 233 H HN 0.390 nan 8.280 nan 0.000 0.545 234 V N 2.297 122.058 119.914 -0.255 0.000 2.445 234 V HA 0.217 4.348 4.120 0.018 0.000 0.283 234 V C 0.474 176.367 176.094 -0.336 0.000 1.014 234 V CA -0.600 61.407 62.300 -0.488 0.000 0.852 234 V CB 0.830 32.009 31.823 -1.074 0.000 1.021 234 V HN 0.556 nan 8.190 nan 0.000 0.435 235 I N 5.293 125.732 120.570 -0.219 0.000 2.668 235 I HA 0.198 4.378 4.170 0.018 0.000 0.285 235 I C 0.289 176.298 176.117 -0.180 0.000 1.168 235 I CA 0.334 61.551 61.300 -0.137 0.000 1.424 235 I CB 0.757 38.710 38.000 -0.078 0.000 1.377 235 I HN 0.797 nan 8.210 nan 0.000 0.560 236 Q N 5.968 125.686 119.800 -0.136 0.000 2.323 236 Q HA 0.641 4.991 4.340 0.018 0.000 0.271 236 Q C -0.986 174.977 176.000 -0.061 0.000 1.048 236 Q CA -1.135 54.608 55.803 -0.100 0.000 0.792 236 Q CB 2.134 30.847 28.738 -0.040 0.000 1.280 236 Q HN 0.381 nan 8.270 nan 0.000 0.441 237 K N 2.555 122.922 120.400 -0.054 0.000 2.545 237 K HA 0.562 4.893 4.320 0.018 0.000 0.252 237 K C -1.988 174.596 176.600 -0.028 0.000 0.948 237 K CA -0.723 55.543 56.287 -0.035 0.000 0.827 237 K CB 1.296 33.781 32.500 -0.026 0.000 1.128 237 K HN 0.748 nan 8.250 nan 0.000 0.429 238 L N 4.591 125.806 121.223 -0.014 0.000 2.322 238 L HA 0.528 4.878 4.340 0.018 0.000 0.279 238 L C -0.366 176.518 176.870 0.024 0.000 1.036 238 L CA -0.215 54.623 54.840 -0.003 0.000 0.807 238 L CB 0.960 43.015 42.059 -0.007 0.000 1.226 238 L HN 0.900 nan 8.230 nan 0.000 0.433 239 N N 1.536 120.268 118.700 0.054 0.000 2.381 239 N HA 0.023 4.774 4.740 0.018 0.000 0.254 239 N C 0.530 176.077 175.510 0.061 0.000 1.264 239 N CA 0.260 53.351 53.050 0.069 0.000 0.942 239 N CB 0.597 39.145 38.487 0.102 0.000 1.190 239 N HN 0.672 nan 8.380 nan 0.000 0.495 240 S N -1.951 113.784 115.700 0.059 0.000 2.562 240 S HA 0.100 4.581 4.470 0.018 0.000 0.221 240 S C 1.449 176.094 174.600 0.075 0.000 0.975 240 S CA 0.180 58.417 58.200 0.061 0.000 0.918 240 S CB -0.366 62.866 63.200 0.054 0.000 0.772 240 S HN 0.758 nan 8.310 nan 0.000 0.531 241 A N 1.308 124.174 122.820 0.077 0.000 2.178 241 A HA 0.529 4.860 4.320 0.018 0.000 0.211 241 A C 1.269 178.916 177.584 0.105 0.000 1.157 241 A CA 0.256 52.344 52.037 0.086 0.000 0.780 241 A CB -0.694 18.351 19.000 0.075 0.000 0.828 241 A HN 0.706 nan 8.150 nan 0.000 0.476 242 L N -0.947 120.337 121.223 0.101 0.000 4.291 242 L HA -0.237 4.114 4.340 0.018 0.000 0.413 242 L C 0.363 177.301 176.870 0.115 0.000 1.162 242 L CA 0.748 55.651 54.840 0.105 0.000 0.961 242 L CB -1.913 40.231 42.059 0.142 0.000 2.095 242 L HN 0.696 nan 8.230 nan 0.000 0.838 243 D N -1.861 118.610 120.400 0.118 0.000 2.479 243 D HA 0.198 4.849 4.640 0.018 0.000 0.218 243 D C 0.314 176.717 176.300 0.172 0.000 1.177 243 D CA 0.101 54.176 54.000 0.125 0.000 0.830 243 D CB 0.198 41.062 40.800 0.108 0.000 1.014 243 D HN 0.567 nan 8.370 nan 0.000 0.503 244 H N -0.193 118.903 119.070 0.043 0.000 3.038 244 H HA 0.676 5.243 4.556 0.018 0.000 0.362 244 H C -1.839 173.503 175.328 0.025 0.000 1.167 244 H CA -0.513 55.553 56.048 0.030 0.000 1.197 244 H CB 1.926 31.701 29.762 0.021 0.000 1.840 244 H HN 0.085 nan 8.280 nan 0.000 0.540 245 A N 3.963 126.433 122.820 -0.583 0.000 2.393 245 A HA 0.456 4.786 4.320 0.018 0.000 0.306 245 A C -1.312 175.931 177.584 -0.568 0.000 1.050 245 A CA -0.824 50.975 52.037 -0.396 0.000 0.724 245 A CB 1.243 20.133 19.000 -0.183 0.000 1.248 245 A HN 0.747 nan 8.150 nan 0.000 0.424 246 D N 2.501 122.738 120.400 -0.272 0.000 2.303 246 D HA 0.482 5.132 4.640 0.018 0.000 0.236 246 D C -0.730 175.503 176.300 -0.111 0.000 1.068 246 D CA 0.130 54.047 54.000 -0.137 0.000 0.830 246 D CB 1.678 42.509 40.800 0.051 0.000 1.109 246 D HN 0.445 nan 8.370 nan 0.000 0.496 247 L N 1.473 122.620 121.223 -0.127 0.000 2.317 247 L HA 0.415 4.766 4.340 0.018 0.000 0.281 247 L C 0.408 177.193 176.870 -0.142 0.000 1.024 247 L CA -0.588 54.157 54.840 -0.157 0.000 0.810 247 L CB 1.693 43.627 42.059 -0.208 0.000 1.240 247 L HN 0.106 nan 8.230 nan 0.000 0.427 248 T N 2.150 116.611 114.554 -0.156 0.000 2.788 248 T HA 0.401 4.762 4.350 0.018 0.000 0.296 248 T C -0.076 174.515 174.700 -0.181 0.000 1.009 248 T CA -0.420 61.608 62.100 -0.120 0.000 0.949 248 T CB 1.427 70.248 68.868 -0.078 0.000 0.946 248 T HN 0.188 nan 8.240 nan 0.000 0.453 249 V N 5.017 124.847 119.914 -0.139 0.000 2.498 249 V HA 0.416 4.546 4.120 0.018 0.000 0.279 249 V C 0.231 176.337 176.094 0.020 0.000 1.048 249 V CA -0.452 61.740 62.300 -0.179 0.000 0.967 249 V CB 0.874 32.492 31.823 -0.342 0.000 0.988 249 V HN 0.728 nan 8.190 nan 0.000 0.473 250 K N 3.212 123.476 120.400 -0.227 0.000 2.422 250 K HA 0.903 5.233 4.320 0.018 0.000 0.251 250 K C -0.860 175.663 176.600 -0.129 0.000 0.933 250 K CA -0.637 55.534 56.287 -0.193 0.000 0.798 250 K CB 2.643 34.899 32.500 -0.406 0.000 1.238 250 K HN 0.804 nan 8.250 nan 0.000 0.428 251 A N 1.968 124.822 122.820 0.057 0.000 2.589 251 A HA 0.450 4.781 4.320 0.018 0.000 0.296 251 A C -1.823 175.808 177.584 0.078 0.000 1.062 251 A CA -0.932 51.169 52.037 0.107 0.000 0.686 251 A CB 1.220 20.317 19.000 0.162 0.000 1.282 251 A HN 0.625 nan 8.150 nan 0.000 0.404 252 D N 0.942 121.391 120.400 0.082 0.000 2.175 252 D HA 0.527 5.178 4.640 0.018 0.000 0.248 252 D C -0.074 176.245 176.300 0.030 0.000 1.047 252 D CA 0.111 54.141 54.000 0.050 0.000 0.883 252 D CB 1.859 42.695 40.800 0.061 0.000 1.180 252 D HN 0.802 nan 8.370 nan 0.000 0.438 253 V N -0.473 119.449 119.914 0.012 0.000 2.656 253 V HA 0.672 4.803 4.120 0.018 0.000 0.307 253 V C -0.400 175.696 176.094 0.003 0.000 1.051 253 V CA -1.031 61.273 62.300 0.007 0.000 0.893 253 V CB 2.193 34.020 31.823 0.006 0.000 0.999 253 V HN 0.455 nan 8.190 nan 0.000 0.426 254 R N 2.973 123.475 120.500 0.003 0.000 2.502 254 R HA 0.456 4.806 4.340 0.018 0.000 0.300 254 R C -1.040 175.279 176.300 0.031 0.000 0.984 254 R CA -0.518 55.589 56.100 0.012 0.000 0.882 254 R CB 1.521 31.825 30.300 0.007 0.000 1.180 254 R HN 0.913 nan 8.270 nan 0.000 0.444 255 N N 3.220 121.941 118.700 0.035 0.000 2.521 255 N HA 0.062 4.812 4.740 0.018 0.000 0.236 255 N C -0.625 174.921 175.510 0.060 0.000 1.067 255 N CA -0.181 52.896 53.050 0.045 0.000 0.939 255 N CB 1.025 39.529 38.487 0.029 0.000 1.201 255 N HN 0.536 nan 8.380 nan 0.000 0.511 256 D N 0.161 120.616 120.400 0.093 0.000 2.340 256 D HA -0.029 4.621 4.640 0.018 0.000 0.220 256 D C 0.525 176.868 176.300 0.070 0.000 1.039 256 D CA 0.245 54.308 54.000 0.105 0.000 0.866 256 D CB 0.183 41.099 40.800 0.195 0.000 0.913 256 D HN 0.601 nan 8.370 nan 0.000 0.523 257 S N -0.289 115.446 115.700 0.058 0.000 2.634 257 S HA 0.429 4.910 4.470 0.018 0.000 0.261 257 S C 1.312 175.930 174.600 0.029 0.000 1.271 257 S CA -0.195 58.029 58.200 0.040 0.000 0.985 257 S CB 1.844 65.067 63.200 0.038 0.000 0.968 257 S HN 0.010 nan 8.310 nan 0.000 0.568 258 A N 0.636 123.469 122.820 0.022 0.000 2.132 258 A HA 0.274 4.604 4.320 0.018 0.000 0.213 258 A C 0.507 178.100 177.584 0.015 0.000 1.154 258 A CA 0.068 52.115 52.037 0.017 0.000 0.753 258 A CB -0.837 18.172 19.000 0.014 0.000 0.826 258 A HN 0.835 nan 8.150 nan 0.000 0.469 259 N N -1.345 117.365 118.700 0.016 0.000 2.362 259 N HA 0.584 5.334 4.740 0.018 0.000 0.299 259 N C -0.319 175.199 175.510 0.014 0.000 1.170 259 N CA -0.099 52.959 53.050 0.014 0.000 0.825 259 N CB 1.407 39.902 38.487 0.013 0.000 1.299 259 N HN 0.236 nan 8.380 nan 0.000 0.502 260 A N 0.422 123.249 122.820 0.011 0.000 2.520 260 A HA 0.398 4.729 4.320 0.018 0.000 0.235 260 A C 0.091 177.682 177.584 0.011 0.000 1.065 260 A CA 0.000 52.043 52.037 0.010 0.000 0.764 260 A CB -0.311 18.692 19.000 0.006 0.000 1.002 260 A HN 0.538 nan 8.150 nan 0.000 0.502 261 V N -0.370 119.550 119.914 0.011 0.000 3.159 261 V HA 0.649 4.780 4.120 0.018 0.000 0.308 261 V C -0.650 175.448 176.094 0.008 0.000 1.190 261 V CA -0.974 61.334 62.300 0.012 0.000 1.037 261 V CB 1.696 33.530 31.823 0.018 0.000 1.060 261 V HN 0.890 nan 8.190 nan 0.000 0.437 262 Q N 0.688 120.493 119.800 0.008 0.000 2.282 262 Q HA 0.655 5.005 4.340 0.018 0.000 0.260 262 Q C -0.963 175.042 176.000 0.009 0.000 0.964 262 Q CA -0.343 55.463 55.803 0.005 0.000 0.880 262 Q CB 2.144 30.884 28.738 0.004 0.000 1.286 262 Q HN 0.976 nan 8.270 nan 0.000 0.445 263 T N 1.094 115.652 114.554 0.005 0.000 2.886 263 T HA 0.401 4.761 4.350 0.018 0.000 0.292 263 T C -0.981 173.725 174.700 0.010 0.000 1.012 263 T CA -0.312 61.795 62.100 0.012 0.000 0.982 263 T CB 1.339 70.217 68.868 0.016 0.000 1.018 263 T HN 0.412 nan 8.240 nan 0.000 0.451 264 T N 3.909 118.477 114.554 0.024 0.000 2.767 264 T HA 0.543 4.904 4.350 0.018 0.000 0.284 264 T C -0.366 174.371 174.700 0.062 0.000 0.973 264 T CA -0.456 61.665 62.100 0.034 0.000 0.996 264 T CB 0.939 69.829 68.868 0.037 0.000 0.927 264 T HN 0.484 nan 8.240 nan 0.000 0.456 265 V N 2.769 122.740 119.914 0.095 0.000 2.347 265 V HA 0.834 4.965 4.120 0.018 0.000 0.280 265 V C 0.102 176.356 176.094 0.267 0.000 1.021 265 V CA -0.752 61.657 62.300 0.181 0.000 0.847 265 V CB 0.695 32.665 31.823 0.245 0.000 0.990 265 V HN 1.085 nan 8.190 nan 0.000 0.444 266 A N 3.437 126.348 122.820 0.152 0.000 2.572 266 A HA 1.063 5.394 4.320 0.018 0.000 0.295 266 A C 0.013 177.604 177.584 0.013 0.000 1.072 266 A CA 0.049 52.142 52.037 0.092 0.000 0.691 266 A CB 2.151 21.196 19.000 0.075 0.000 1.291 266 A HN 1.634 nan 8.150 nan 0.000 0.404 267 G N -0.517 108.260 108.800 -0.037 0.000 2.404 267 G HA2 0.622 4.592 3.960 0.018 0.000 0.253 267 G HA3 0.622 4.592 3.960 0.018 0.000 0.253 267 G C -0.472 174.379 174.900 -0.082 0.000 1.253 267 G CA 0.581 45.651 45.100 -0.051 0.000 0.917 267 G HN 1.987 nan 8.290 nan 0.000 0.480 268 T N -2.570 111.941 114.554 -0.073 0.000 2.893 268 T HA 0.736 5.097 4.350 0.018 0.000 0.291 268 T C -1.198 173.464 174.700 -0.065 0.000 1.028 268 T CA -0.544 61.519 62.100 -0.061 0.000 0.995 268 T CB 1.979 70.840 68.868 -0.011 0.000 1.051 268 T HN 1.797 nan 8.240 nan 0.000 0.470 269 V N 2.431 122.308 119.914 -0.062 0.000 2.443 269 V HA 0.630 4.761 4.120 0.018 0.000 0.293 269 V C 0.516 176.635 176.094 0.041 0.000 1.021 269 V CA 0.233 62.532 62.300 -0.001 0.000 0.848 269 V CB 0.316 32.069 31.823 -0.117 0.000 0.998 269 V HN 2.085 nan 8.190 nan 0.000 0.424 270 A N 4.771 127.666 122.820 0.124 0.000 2.745 270 A HA 0.053 4.384 4.320 0.018 0.000 0.296 270 A C 1.738 179.345 177.584 0.039 0.000 1.500 270 A CA 1.493 53.560 52.037 0.050 0.000 0.766 270 A CB -1.775 17.048 19.000 -0.296 0.000 1.030 270 A HN 2.903 nan 8.150 nan 0.000 0.489 271 G N -2.473 106.365 108.800 0.063 0.000 2.136 271 G HA2 -0.120 3.851 3.960 0.018 0.000 0.242 271 G HA3 -0.120 3.851 3.960 0.018 0.000 0.242 271 G C -0.129 174.781 174.900 0.016 0.000 0.989 271 G CA 1.060 46.189 45.100 0.048 0.000 0.682 271 G HN 1.292 nan 8.290 nan 0.000 0.522 272 K N 0.904 121.300 120.400 -0.005 0.000 2.397 272 K HA 0.604 4.934 4.320 0.018 0.000 0.253 272 K C -2.403 174.177 176.600 -0.034 0.000 0.932 272 K CA -2.145 54.130 56.287 -0.020 0.000 0.795 272 K CB 2.744 35.222 32.500 -0.038 0.000 1.159 272 K HN 0.015 nan 8.250 nan 0.000 0.424 273 P HA 0.203 nan 4.420 nan 0.000 0.276 273 P C -0.675 176.602 177.300 -0.038 0.000 1.230 273 P CA -0.227 62.859 63.100 -0.023 0.000 0.776 273 P CB 0.411 32.111 31.700 -0.000 0.000 0.888 274 I N -1.410 119.118 120.570 -0.070 0.000 2.730 274 I HA 0.781 4.961 4.170 0.018 0.000 0.298 274 I C -0.692 175.451 176.117 0.044 0.000 1.089 274 I CA -0.983 60.279 61.300 -0.063 0.000 1.041 274 I CB 2.514 40.314 38.000 -0.333 0.000 1.235 274 I HN 0.190 nan 8.210 nan 0.000 0.423 275 S N 2.780 118.622 115.700 0.236 0.000 2.563 275 S HA 0.444 4.924 4.470 0.018 0.000 0.279 275 S C -1.565 173.196 174.600 0.268 0.000 1.155 275 S CA -0.481 57.877 58.200 0.264 0.000 0.928 275 S CB 1.634 64.906 63.200 0.121 0.000 1.107 275 S HN 0.714 nan 8.310 nan 0.000 0.462 276 Q N 2.180 122.099 119.800 0.197 0.000 2.315 276 Q HA 0.428 4.778 4.340 0.018 0.000 0.273 276 Q C -1.353 174.621 176.000 -0.044 0.000 1.053 276 Q CA -0.596 55.175 55.803 -0.053 0.000 0.817 276 Q CB 2.449 30.930 28.738 -0.429 0.000 1.326 276 Q HN 0.675 nan 8.270 nan 0.000 0.423 277 T N 1.634 116.161 114.554 -0.045 0.000 2.797 277 T HA 0.666 5.027 4.350 0.018 0.000 0.279 277 T C -0.009 174.658 174.700 -0.055 0.000 0.991 277 T CA -0.545 61.536 62.100 -0.033 0.000 0.979 277 T CB 1.229 70.091 68.868 -0.010 0.000 0.943 277 T HN 0.444 nan 8.240 nan 0.000 0.444 278 V N -0.045 119.839 119.914 -0.050 0.000 3.130 278 V HA 0.870 5.001 4.120 0.018 0.000 0.310 278 V C -0.332 175.744 176.094 -0.030 0.000 1.158 278 V CA -0.920 61.349 62.300 -0.052 0.000 1.029 278 V CB 2.111 33.890 31.823 -0.074 0.000 1.057 278 V HN 0.730 nan 8.190 nan 0.000 0.436 279 S N 1.267 116.951 115.700 -0.027 0.000 2.608 279 S HA 0.891 5.372 4.470 0.018 0.000 0.291 279 S C -0.749 173.843 174.600 -0.014 0.000 1.146 279 S CA -0.608 57.583 58.200 -0.016 0.000 1.043 279 S CB 0.967 64.159 63.200 -0.013 0.000 1.037 279 S HN 0.680 nan 8.310 nan 0.000 0.520 280 L N 2.136 123.355 121.223 -0.007 0.000 2.476 280 L HA 0.555 4.905 4.340 0.018 0.000 0.269 280 L C 0.140 177.010 176.870 0.002 0.000 0.965 280 L CA -0.759 54.079 54.840 -0.003 0.000 0.845 280 L CB 1.699 43.759 42.059 0.001 0.000 1.259 280 L HN 0.752 nan 8.230 nan 0.000 0.403 281 A N 2.324 125.145 122.820 0.000 0.000 2.346 281 A HA 0.680 5.010 4.320 0.018 0.000 0.255 281 A C 0.518 178.107 177.584 0.008 0.000 1.113 281 A CA 0.259 52.298 52.037 0.003 0.000 0.798 281 A CB 0.357 19.358 19.000 0.000 0.000 1.073 281 A HN 0.812 nan 8.150 nan 0.000 0.502 282 A N 0.287 123.113 122.820 0.010 0.000 2.488 282 A HA 0.483 4.814 4.320 0.018 0.000 0.249 282 A C 0.834 178.428 177.584 0.015 0.000 1.083 282 A CA 0.248 52.294 52.037 0.015 0.000 0.768 282 A CB -0.193 18.815 19.000 0.014 0.000 1.017 282 A HN 1.005 nan 8.150 nan 0.000 0.496 283 K N -0.172 120.242 120.400 0.023 0.000 3.339 283 K HA -0.161 4.170 4.320 0.018 0.000 0.299 283 K C -0.052 176.559 176.600 0.018 0.000 1.270 283 K CA 1.490 57.792 56.287 0.025 0.000 0.875 283 K CB -1.497 31.015 32.500 0.020 0.000 1.298 283 K HN 0.969 nan 8.250 nan 0.000 0.485 284 E N 1.147 121.356 120.200 0.014 0.000 2.191 284 E HA 0.346 4.707 4.350 0.018 0.000 0.278 284 E C -0.645 175.958 176.600 0.005 0.000 0.972 284 E CA -0.702 55.701 56.400 0.006 0.000 0.804 284 E CB 1.136 30.837 29.700 0.001 0.000 1.110 284 E HN 0.209 nan 8.360 nan 0.000 0.394 285 R N 3.722 124.222 120.500 -0.001 0.000 2.393 285 R HA 0.346 4.697 4.340 0.018 0.000 0.315 285 R C -1.030 175.265 176.300 -0.009 0.000 0.952 285 R CA -0.548 55.551 56.100 -0.003 0.000 0.842 285 R CB 0.903 31.201 30.300 -0.003 0.000 1.163 285 R HN 0.386 nan 8.270 nan 0.000 0.450 286 K N 2.027 122.421 120.400 -0.011 0.000 2.316 286 K HA 0.317 4.648 4.320 0.018 0.000 0.251 286 K C -1.022 175.568 176.600 -0.016 0.000 0.934 286 K CA -0.853 55.422 56.287 -0.020 0.000 0.802 286 K CB 2.458 34.938 32.500 -0.033 0.000 1.171 286 K HN 0.475 nan 8.250 nan 0.000 0.426 287 T N 1.930 116.474 114.554 -0.016 0.000 2.747 287 T HA 0.133 4.494 4.350 0.018 0.000 0.301 287 T C -0.009 174.654 174.700 -0.062 0.000 0.952 287 T CA -0.518 61.577 62.100 -0.009 0.000 0.983 287 T CB 0.409 69.289 68.868 0.020 0.000 0.930 287 T HN 0.149 nan 8.240 nan 0.000 0.494 288 V N 5.117 124.969 119.914 -0.103 0.000 2.470 288 V HA 0.152 4.283 4.120 0.018 0.000 0.276 288 V C 0.776 176.714 176.094 -0.262 0.000 1.040 288 V CA 0.012 62.164 62.300 -0.248 0.000 1.008 288 V CB 0.643 32.232 31.823 -0.390 0.000 0.990 288 V HN 0.892 nan 8.190 nan 0.000 0.477 289 T N 7.085 121.488 114.554 -0.252 0.000 2.770 289 T HA 0.497 4.857 4.350 0.018 0.000 0.297 289 T C -0.221 174.352 174.700 -0.212 0.000 0.997 289 T CA -0.107 61.898 62.100 -0.157 0.000 0.949 289 T CB 0.113 68.931 68.868 -0.083 0.000 0.941 289 T HN 0.271 nan 8.240 nan 0.000 0.457 290 F N 3.790 123.689 119.950 -0.086 0.000 2.450 290 F HA 0.338 4.876 4.527 0.018 0.000 0.339 290 F C -1.579 174.181 175.800 -0.065 0.000 1.146 290 F CA -2.109 55.847 58.000 -0.073 0.000 1.267 290 F CB 0.001 38.951 39.000 -0.085 0.000 1.178 290 F HN 0.337 nan 8.300 nan 0.000 0.585 291 P HA 0.083 nan 4.420 nan 0.000 0.271 291 P C -0.536 176.795 177.300 0.051 0.000 1.218 291 P CA -0.421 62.715 63.100 0.061 0.000 0.780 291 P CB 0.535 32.266 31.700 0.051 0.000 0.901 292 L N 3.006 124.242 121.223 0.021 0.000 2.605 292 L HA -0.018 4.332 4.340 0.018 0.000 0.296 292 L C -0.392 176.479 176.870 0.001 0.000 1.255 292 L CA 1.073 55.915 54.840 0.004 0.000 0.879 292 L CB 0.254 42.318 42.059 0.009 0.000 1.124 292 L HN 0.086 nan 8.230 nan 0.000 0.507 293 V N 4.771 124.670 119.914 -0.026 0.000 2.482 293 V HA 0.469 4.600 4.120 0.018 0.000 0.295 293 V C 0.539 176.605 176.094 -0.046 0.000 1.026 293 V CA -0.357 61.924 62.300 -0.033 0.000 0.856 293 V CB 1.338 33.121 31.823 -0.065 0.000 1.001 293 V HN 0.917 nan 8.190 nan 0.000 0.424 294 G N 3.506 112.310 108.800 0.007 0.000 2.483 294 G HA2 0.488 4.459 3.960 0.018 0.000 0.248 294 G HA3 0.488 4.459 3.960 0.018 0.000 0.248 294 G C -0.893 173.968 174.900 -0.065 0.000 1.248 294 G CA -0.172 44.937 45.100 0.015 0.000 0.838 294 G HN 0.588 nan 8.290 nan 0.000 0.566 295 L N 2.115 123.201 121.223 -0.228 0.000 2.490 295 L HA 0.327 4.678 4.340 0.018 0.000 0.256 295 L C -0.703 176.110 176.870 -0.094 0.000 1.089 295 L CA -0.770 53.974 54.840 -0.159 0.000 0.916 295 L CB 1.096 43.016 42.059 -0.231 0.000 1.188 295 L HN 0.389 nan 8.230 nan 0.000 0.476 296 D N 4.646 125.105 120.400 0.098 0.000 2.424 296 D HA 0.163 4.814 4.640 0.018 0.000 0.244 296 D C 0.289 176.653 176.300 0.108 0.000 1.134 296 D CA 0.100 54.224 54.000 0.207 0.000 0.881 296 D CB 0.697 41.608 40.800 0.184 0.000 1.191 296 D HN 0.289 nan 8.370 nan 0.000 0.445 297 R N 0.419 120.987 120.500 0.114 0.000 3.127 297 R HA -0.115 4.236 4.340 0.018 0.000 0.247 297 R C -2.275 174.086 176.300 0.102 0.000 0.896 297 R CA 0.105 56.262 56.100 0.096 0.000 0.624 297 R CB -1.954 28.393 30.300 0.079 0.000 1.154 297 R HN 0.429 nan 8.270 nan 0.000 0.474 298 P HA 0.074 nan 4.420 nan 0.000 0.277 298 P C -0.008 177.406 177.300 0.190 0.000 1.240 298 P CA -0.472 62.736 63.100 0.181 0.000 0.798 298 P CB 0.606 32.392 31.700 0.143 0.000 0.979 299 N N 2.114 120.938 118.700 0.207 0.000 2.744 299 N HA 0.045 4.796 4.740 0.018 0.000 0.290 299 N C -0.385 175.200 175.510 0.125 0.000 1.206 299 N CA 0.052 53.116 53.050 0.023 0.000 1.119 299 N CB -0.829 37.415 38.487 -0.405 0.000 1.449 299 N HN 0.064 nan 8.380 nan 0.000 0.514 300 V N 2.787 122.791 119.914 0.149 0.000 2.720 300 V HA -0.148 3.982 4.120 0.018 0.000 0.307 300 V C 0.718 176.823 176.094 0.017 0.000 1.071 300 V CA -0.176 62.152 62.300 0.047 0.000 1.199 300 V CB -0.024 31.744 31.823 -0.091 0.000 0.900 300 V HN 0.520 nan 8.190 nan 0.000 0.494 301 W N 5.809 126.994 121.300 -0.192 0.000 2.287 301 W HA 0.511 5.182 4.660 0.017 0.000 0.313 301 W C -0.752 175.592 176.519 -0.292 0.000 1.267 301 W CA -0.591 56.681 57.345 -0.123 0.000 1.201 301 W CB 0.653 30.070 29.460 -0.071 0.000 1.196 301 W HN 0.549 nan 8.180 nan 0.000 0.536 302 W N 7.493 128.409 121.300 -0.639 0.000 2.844 302 W HA 0.379 5.050 4.660 0.018 0.000 0.340 302 W C -1.874 174.035 176.519 -1.017 0.000 1.093 302 W CA -2.311 54.716 57.345 -0.531 0.000 1.212 302 W CB 1.070 30.359 29.460 -0.285 0.000 1.422 302 W HN 0.173 nan 8.180 nan 0.000 0.515 303 P HA 0.038 nan 4.420 nan 0.000 0.268 303 P C -0.300 176.902 177.300 -0.165 0.000 1.208 303 P CA 0.037 63.014 63.100 -0.204 0.000 0.777 303 P CB 0.362 32.105 31.700 0.071 0.000 0.875 304 A N 2.675 125.414 122.820 -0.134 0.000 2.591 304 A HA 0.304 4.635 4.320 0.018 0.000 0.244 304 A C 1.618 179.156 177.584 -0.076 0.000 1.031 304 A CA 1.017 52.995 52.037 -0.098 0.000 0.767 304 A CB -1.654 17.311 19.000 -0.058 0.000 0.942 304 A HN 0.922 nan 8.150 nan 0.000 0.514 305 G N 1.515 110.261 108.800 -0.091 0.000 2.179 305 G HA2 -0.288 3.682 3.960 0.018 0.000 0.260 305 G HA3 -0.288 3.682 3.960 0.018 0.000 0.260 305 G C 0.544 175.369 174.900 -0.125 0.000 0.977 305 G CA 0.862 45.907 45.100 -0.090 0.000 0.641 305 G HN 0.811 nan 8.290 nan 0.000 0.533 306 M N 0.082 119.594 119.600 -0.146 0.000 2.313 306 M HA 0.488 4.978 4.480 0.018 0.000 0.273 306 M C 1.103 177.069 176.300 -0.557 0.000 1.049 306 M CA 1.015 56.147 55.300 -0.280 0.000 1.004 306 M CB 1.199 33.739 32.600 -0.101 0.000 1.461 306 M HN 1.082 nan 8.290 nan 0.000 0.514 307 G N -0.453 108.152 108.800 -0.325 0.000 2.320 307 G HA2 0.233 4.203 3.960 0.018 0.000 0.274 307 G HA3 0.233 4.203 3.960 0.018 0.000 0.274 307 G C -0.771 174.076 174.900 -0.088 0.000 1.324 307 G CA -0.701 44.218 45.100 -0.302 0.000 0.957 307 G HN 0.251 nan 8.290 nan 0.000 0.481 308 G N -1.358 107.453 108.800 0.017 0.000 2.634 308 G HA2 0.486 4.456 3.960 0.018 0.000 0.255 308 G HA3 0.486 4.456 3.960 0.018 0.000 0.255 308 G C -0.032 174.794 174.900 -0.122 0.000 1.205 308 G CA 0.072 45.165 45.100 -0.012 0.000 0.884 308 G HN 0.560 nan 8.290 nan 0.000 0.549 309 Q N -0.672 119.040 119.800 -0.147 0.000 2.233 309 Q HA 0.190 4.540 4.340 0.018 0.000 0.340 309 Q C -0.193 175.881 176.000 0.123 0.000 0.899 309 Q CA -0.432 55.198 55.803 -0.288 0.000 1.139 309 Q CB 0.397 29.024 28.738 -0.185 0.000 1.273 309 Q HN 0.755 nan 8.270 nan 0.000 0.431 310 H N 0.278 119.373 119.070 0.042 0.000 2.707 310 H HA 0.367 4.934 4.556 0.018 0.000 0.359 310 H C -0.382 174.970 175.328 0.039 0.000 1.113 310 H CA 0.308 56.348 56.048 -0.013 0.000 1.422 310 H CB 0.617 30.286 29.762 -0.155 0.000 1.443 310 H HN 0.076 nan 8.280 nan 0.000 0.591 311 R N 3.503 123.509 120.500 -0.823 0.000 2.750 311 R HA 0.257 4.608 4.340 0.018 0.000 0.281 311 R C -1.056 174.599 176.300 -1.075 0.000 0.972 311 R CA -0.873 54.807 56.100 -0.700 0.000 0.912 311 R CB 1.436 31.531 30.300 -0.341 0.000 1.187 311 R HN 0.549 nan 8.270 nan 0.000 0.464 312 Y N 0.147 119.999 120.300 -0.747 0.000 2.408 312 Y HA 0.225 4.786 4.550 0.018 0.000 0.324 312 Y C 0.527 176.122 175.900 -0.508 0.000 1.302 312 Y CA -0.062 57.689 58.100 -0.582 0.000 1.384 312 Y CB 1.011 39.027 38.460 -0.740 0.000 1.367 312 Y HN 0.350 nan 8.280 nan 0.000 0.525 313 D N 1.085 121.488 120.400 0.006 0.000 2.252 313 D HA 0.359 5.010 4.640 0.018 0.000 0.245 313 D C -1.448 174.995 176.300 0.237 0.000 1.009 313 D CA -0.482 53.571 54.000 0.088 0.000 0.870 313 D CB 2.746 43.579 40.800 0.055 0.000 1.251 313 D HN 0.190 nan 8.370 nan 0.000 0.460 314 L N 1.560 122.913 121.223 0.216 0.000 2.346 314 L HA 0.484 4.834 4.340 0.018 0.000 0.276 314 L C -1.253 175.641 176.870 0.039 0.000 1.006 314 L CA -0.240 54.667 54.840 0.111 0.000 0.817 314 L CB 1.660 43.751 42.059 0.053 0.000 1.272 314 L HN 0.187 nan 8.230 nan 0.000 0.421 315 D N 4.775 125.171 120.400 -0.007 0.000 2.375 315 D HA 0.378 5.029 4.640 0.018 0.000 0.241 315 D C -1.730 174.551 176.300 -0.032 0.000 1.361 315 D CA -0.072 53.925 54.000 -0.004 0.000 0.995 315 D CB 0.667 41.474 40.800 0.011 0.000 1.312 315 D HN 0.514 nan 8.370 nan 0.000 0.576 316 L N 1.939 123.148 121.223 -0.023 0.000 2.346 316 L HA 0.640 4.991 4.340 0.018 0.000 0.274 316 L C 0.045 176.926 176.870 0.018 0.000 1.007 316 L CA -0.720 54.110 54.840 -0.017 0.000 0.818 316 L CB 2.436 44.484 42.059 -0.018 0.000 1.284 316 L HN 0.181 nan 8.230 nan 0.000 0.424 317 T N 1.528 116.101 114.554 0.031 0.000 2.824 317 T HA 0.626 4.987 4.350 0.018 0.000 0.282 317 T C -0.314 174.419 174.700 0.056 0.000 0.993 317 T CA -0.509 61.615 62.100 0.041 0.000 0.967 317 T CB 1.819 70.708 68.868 0.036 0.000 0.960 317 T HN 0.633 nan 8.240 nan 0.000 0.441 318 A N 2.729 125.581 122.820 0.054 0.000 2.274 318 A HA 0.751 5.082 4.320 0.018 0.000 0.309 318 A C 0.097 177.709 177.584 0.046 0.000 1.226 318 A CA -0.532 51.538 52.037 0.056 0.000 0.853 318 A CB 0.510 19.539 19.000 0.049 0.000 1.146 318 A HN 0.697 nan 8.150 nan 0.000 0.518 319 S N 0.493 116.219 115.700 0.044 0.000 2.536 319 S HA 0.721 5.202 4.470 0.018 0.000 0.298 319 S C -0.693 173.926 174.600 0.033 0.000 1.083 319 S CA -0.504 57.719 58.200 0.038 0.000 0.995 319 S CB 1.758 64.980 63.200 0.037 0.000 1.058 319 S HN 0.688 nan 8.310 nan 0.000 0.488 320 V N 0.985 120.919 119.914 0.032 0.000 2.760 320 V HA 0.674 4.805 4.120 0.018 0.000 0.309 320 V C 0.825 176.935 176.094 0.027 0.000 1.077 320 V CA -0.356 61.961 62.300 0.028 0.000 0.910 320 V CB 1.239 33.080 31.823 0.031 0.000 1.008 320 V HN 1.224 nan 8.190 nan 0.000 0.424 321 G N 2.669 111.482 108.800 0.023 0.000 2.296 321 G HA2 0.039 4.009 3.960 0.018 0.000 0.282 321 G HA3 0.039 4.009 3.960 0.018 0.000 0.282 321 G C 1.205 176.118 174.900 0.022 0.000 1.014 321 G CA 1.013 46.126 45.100 0.021 0.000 0.812 321 G HN 2.558 nan 8.290 nan 0.000 0.508 322 G N -2.821 105.993 108.800 0.023 0.000 2.136 322 G HA2 -0.006 3.965 3.960 0.018 0.000 0.242 322 G HA3 -0.006 3.965 3.960 0.018 0.000 0.242 322 G C 0.203 175.119 174.900 0.025 0.000 0.989 322 G CA 0.855 45.969 45.100 0.023 0.000 0.682 322 G HN 1.631 nan 8.290 nan 0.000 0.522 323 T N 2.394 116.965 114.554 0.028 0.000 2.848 323 T HA 0.589 4.950 4.350 0.018 0.000 0.285 323 T C -2.560 172.160 174.700 0.034 0.000 0.995 323 T CA -0.971 61.147 62.100 0.030 0.000 0.970 323 T CB 2.914 71.800 68.868 0.030 0.000 0.976 323 T HN 0.055 nan 8.240 nan 0.000 0.441 324 P HA 0.015 nan 4.420 nan 0.000 0.260 324 P C 0.335 177.660 177.300 0.042 0.000 1.172 324 P CA 0.429 63.552 63.100 0.038 0.000 0.760 324 P CB 0.782 32.505 31.700 0.038 0.000 0.773 325 S N 1.480 117.207 115.700 0.045 0.000 2.502 325 S HA 0.064 4.545 4.470 0.018 0.000 0.228 325 S C 0.429 175.062 174.600 0.054 0.000 1.061 325 S CA 0.521 58.751 58.200 0.051 0.000 0.935 325 S CB 0.128 63.358 63.200 0.050 0.000 0.809 325 S HN 0.514 nan 8.310 nan 0.000 0.510 326 D N -1.106 119.321 120.400 0.045 0.000 2.643 326 D HA 0.743 5.394 4.640 0.018 0.000 0.283 326 D C -1.662 174.661 176.300 0.037 0.000 1.242 326 D CA 0.035 54.058 54.000 0.039 0.000 0.863 326 D CB 2.045 42.858 40.800 0.022 0.000 1.382 326 D HN 0.333 nan 8.370 nan 0.000 0.444 327 A N -0.232 122.608 122.820 0.034 0.000 2.594 327 A HA 0.771 5.102 4.320 0.018 0.000 0.296 327 A C -1.805 175.798 177.584 0.031 0.000 1.061 327 A CA 0.005 52.062 52.037 0.033 0.000 0.689 327 A CB 1.402 20.423 19.000 0.035 0.000 1.280 327 A HN 0.811 nan 8.150 nan 0.000 0.406 328 A N 1.631 124.468 122.820 0.028 0.000 2.427 328 A HA 0.764 5.094 4.320 0.018 0.000 0.298 328 A C -0.897 176.702 177.584 0.026 0.000 1.036 328 A CA -0.489 51.565 52.037 0.028 0.000 0.701 328 A CB 1.291 20.307 19.000 0.027 0.000 1.250 328 A HN 0.624 nan 8.150 nan 0.000 0.412 329 K N 1.462 121.882 120.400 0.032 0.000 2.274 329 K HA 0.666 4.997 4.320 0.018 0.000 0.262 329 K C -0.357 176.266 176.600 0.039 0.000 0.961 329 K CA -0.190 56.118 56.287 0.035 0.000 0.833 329 K CB 1.775 34.297 32.500 0.037 0.000 1.102 329 K HN 0.941 nan 8.250 nan 0.000 0.436 330 S N 2.343 118.070 115.700 0.045 0.000 2.697 330 S HA 0.603 5.084 4.470 0.018 0.000 0.289 330 S C -0.945 173.699 174.600 0.073 0.000 1.149 330 S CA -0.995 57.233 58.200 0.046 0.000 0.850 330 S CB 2.080 65.300 63.200 0.034 0.000 1.151 330 S HN 0.448 nan 8.310 nan 0.000 0.491 331 K N -0.130 120.299 120.400 0.049 0.000 2.400 331 K HA 0.821 5.151 4.320 0.018 0.000 0.246 331 K C -1.488 175.176 176.600 0.107 0.000 0.995 331 K CA -0.762 55.545 56.287 0.033 0.000 0.840 331 K CB 1.778 34.246 32.500 -0.055 0.000 1.293 331 K HN 0.718 nan 8.250 nan 0.000 0.445 332 F N -2.363 117.531 119.950 -0.093 0.000 2.693 332 F HA 0.642 5.180 4.527 0.018 0.000 0.309 332 F C -0.686 175.078 175.800 -0.061 0.000 1.129 332 F CA -1.144 56.786 58.000 -0.118 0.000 0.948 332 F CB 1.088 40.032 39.000 -0.094 0.000 1.315 332 F HN 0.489 nan 8.300 nan 0.000 0.447 333 G N 0.835 109.606 108.800 -0.049 0.000 2.420 333 G HA2 0.572 4.543 3.960 0.018 0.000 0.331 333 G HA3 0.572 4.543 3.960 0.018 0.000 0.331 333 G C -1.758 173.207 174.900 0.109 0.000 1.168 333 G CA -1.124 43.926 45.100 -0.084 0.000 0.936 333 G HN 0.686 nan 8.290 nan 0.000 0.479 334 V N 3.080 123.107 119.914 0.188 0.000 2.353 334 V HA 0.597 4.727 4.120 0.018 0.000 0.264 334 V C 0.393 176.536 176.094 0.081 0.000 1.049 334 V CA -0.391 62.014 62.300 0.175 0.000 0.896 334 V CB 0.218 32.182 31.823 0.236 0.000 1.025 334 V HN 0.814 nan 8.190 nan 0.000 0.475 335 R N 3.442 123.951 120.500 0.015 0.000 2.579 335 R HA 0.336 4.686 4.340 0.018 0.000 0.260 335 R C -2.106 174.167 176.300 -0.046 0.000 1.103 335 R CA -0.539 55.542 56.100 -0.033 0.000 0.942 335 R CB 2.343 32.666 30.300 0.038 0.000 1.251 335 R HN 0.658 nan 8.270 nan 0.000 0.450 336 D N 1.628 121.996 120.400 -0.054 0.000 2.181 336 D HA 0.518 5.168 4.640 0.018 0.000 0.248 336 D C -1.423 174.882 176.300 0.008 0.000 1.020 336 D CA -0.280 53.704 54.000 -0.026 0.000 0.891 336 D CB 1.966 42.756 40.800 -0.016 0.000 1.187 336 D HN 0.280 nan 8.370 nan 0.000 0.443 337 V N 2.806 122.731 119.914 0.019 0.000 2.711 337 V HA 0.493 4.624 4.120 0.018 0.000 0.304 337 V C -1.550 174.575 176.094 0.051 0.000 1.097 337 V CA -0.543 61.798 62.300 0.069 0.000 0.906 337 V CB 1.497 33.379 31.823 0.097 0.000 1.015 337 V HN 0.572 nan 8.190 nan 0.000 0.427 338 K N 4.603 125.039 120.400 0.061 0.000 2.318 338 K HA 0.898 5.228 4.320 0.018 0.000 0.249 338 K C -0.803 175.748 176.600 -0.082 0.000 0.942 338 K CA -0.378 55.908 56.287 -0.001 0.000 0.808 338 K CB 2.370 34.875 32.500 0.008 0.000 1.189 338 K HN 0.843 nan 8.250 nan 0.000 0.428 339 A N 1.830 124.523 122.820 -0.212 0.000 2.646 339 A HA 0.343 4.674 4.320 0.018 0.000 0.312 339 A C -0.420 177.011 177.584 -0.256 0.000 1.245 339 A CA -0.648 51.114 52.037 -0.458 0.000 0.755 339 A CB 0.186 18.637 19.000 -0.916 0.000 1.132 339 A HN 0.670 nan 8.150 nan 0.000 0.458 340 T N -0.138 114.331 114.554 -0.141 0.000 2.943 340 T HA 0.704 5.064 4.350 0.018 0.000 0.284 340 T C -0.088 174.587 174.700 -0.042 0.000 1.015 340 T CA -0.749 61.309 62.100 -0.071 0.000 1.042 340 T CB 0.894 69.747 68.868 -0.025 0.000 1.055 340 T HN 0.350 nan 8.240 nan 0.000 0.500 341 L N 3.659 124.869 121.223 -0.022 0.000 2.313 341 L HA 0.319 4.670 4.340 0.018 0.000 0.282 341 L C 0.888 177.774 176.870 0.027 0.000 1.092 341 L CA -0.997 53.848 54.840 0.008 0.000 0.831 341 L CB 0.077 42.139 42.059 0.006 0.000 1.159 341 L HN 0.797 nan 8.230 nan 0.000 0.442 342 N N 1.262 119.993 118.700 0.051 0.000 2.294 342 N HA -0.002 4.749 4.740 0.018 0.000 0.248 342 N C 0.970 176.504 175.510 0.040 0.000 1.300 342 N CA -0.074 53.006 53.050 0.050 0.000 0.925 342 N CB 0.304 38.832 38.487 0.069 0.000 1.188 342 N HN 0.534 nan 8.380 nan 0.000 0.512 343 S N -1.604 114.114 115.700 0.031 0.000 2.442 343 S HA -0.104 4.377 4.470 0.018 0.000 0.236 343 S C 1.163 175.775 174.600 0.019 0.000 1.007 343 S CA 0.793 59.005 58.200 0.019 0.000 0.965 343 S CB -0.689 62.517 63.200 0.010 0.000 0.773 343 S HN 0.548 nan 8.310 nan 0.000 0.504 344 S N 0.736 116.455 115.700 0.032 0.000 2.593 344 S HA 0.469 4.950 4.470 0.018 0.000 0.217 344 S C 1.311 175.945 174.600 0.057 0.000 0.966 344 S CA 0.238 58.458 58.200 0.033 0.000 0.914 344 S CB 0.022 63.246 63.200 0.039 0.000 0.776 344 S HN 1.078 nan 8.310 nan 0.000 0.523 345 G N 1.136 109.972 108.800 0.061 0.000 2.142 345 G HA2 -0.113 3.857 3.960 0.018 0.000 0.225 345 G HA3 -0.113 3.857 3.960 0.018 0.000 0.225 345 G C 0.132 175.094 174.900 0.102 0.000 1.015 345 G CA -0.333 44.808 45.100 0.069 0.000 0.716 345 G HN 0.814 nan 8.290 nan 0.000 0.508 346 G N -0.771 108.103 108.800 0.123 0.000 2.400 346 G HA2 0.667 4.638 3.960 0.018 0.000 0.333 346 G HA3 0.667 4.638 3.960 0.018 0.000 0.333 346 G C -0.153 174.836 174.900 0.148 0.000 1.143 346 G CA -0.760 44.442 45.100 0.171 0.000 0.914 346 G HN 0.494 nan 8.290 nan 0.000 0.480 347 R N 0.331 120.931 120.500 0.167 0.000 2.389 347 R HA 0.417 4.767 4.340 0.018 0.000 0.295 347 R C -0.377 176.042 176.300 0.198 0.000 1.075 347 R CA -0.261 55.886 56.100 0.078 0.000 1.005 347 R CB 0.911 31.168 30.300 -0.071 0.000 0.987 347 R HN 0.477 nan 8.270 nan 0.000 0.452 348 Q N 3.989 123.836 119.800 0.079 0.000 2.320 348 Q HA 0.264 4.615 4.340 0.018 0.000 0.268 348 Q C -1.713 174.338 176.000 0.085 0.000 1.023 348 Q CA -0.445 55.468 55.803 0.183 0.000 0.744 348 Q CB 0.684 29.527 28.738 0.175 0.000 1.246 348 Q HN 0.633 nan 8.270 nan 0.000 0.462 349 Y N 1.305 121.730 120.300 0.208 0.000 2.326 349 Y HA 0.554 5.115 4.550 0.018 0.000 0.333 349 Y C 0.473 176.471 175.900 0.164 0.000 1.240 349 Y CA 0.380 58.581 58.100 0.168 0.000 1.365 349 Y CB 1.540 40.111 38.460 0.187 0.000 1.289 349 Y HN 0.692 nan 8.280 nan 0.000 0.548 350 S N 0.232 116.105 115.700 0.288 0.000 2.533 350 S HA 0.754 5.235 4.470 0.018 0.000 0.271 350 S C -1.680 173.047 174.600 0.211 0.000 1.143 350 S CA -0.990 57.348 58.200 0.231 0.000 0.891 350 S CB 1.241 64.544 63.200 0.170 0.000 1.105 350 S HN 0.328 nan 8.310 nan 0.000 0.468 351 V N 2.170 122.210 119.914 0.210 0.000 2.487 351 V HA 0.510 4.641 4.120 0.018 0.000 0.298 351 V C 0.136 176.302 176.094 0.119 0.000 1.028 351 V CA -0.903 61.498 62.300 0.170 0.000 0.860 351 V CB 0.828 32.784 31.823 0.221 0.000 0.991 351 V HN 1.139 nan 8.190 nan 0.000 0.427 352 N N 3.574 122.273 118.700 -0.002 0.000 2.727 352 N HA -0.237 4.513 4.740 0.018 0.000 0.249 352 N C 1.113 176.685 175.510 0.103 0.000 1.048 352 N CA 0.593 53.603 53.050 -0.066 0.000 0.714 352 N CB -0.796 37.404 38.487 -0.477 0.000 0.959 352 N HN 1.476 nan 8.380 nan 0.000 0.544 353 G N -1.076 107.790 108.800 0.111 0.000 2.184 353 G HA2 -0.364 3.607 3.960 0.018 0.000 0.264 353 G HA3 -0.364 3.607 3.960 0.018 0.000 0.264 353 G C -0.094 174.902 174.900 0.161 0.000 0.975 353 G CA 0.564 45.740 45.100 0.127 0.000 0.642 353 G HN 0.327 nan 8.290 nan 0.000 0.536 354 K N 1.739 122.265 120.400 0.210 0.000 2.264 354 K HA 0.390 4.720 4.320 0.018 0.000 0.277 354 K C -2.474 174.258 176.600 0.220 0.000 1.067 354 K CA -1.880 54.541 56.287 0.223 0.000 0.900 354 K CB 2.221 34.892 32.500 0.285 0.000 1.124 354 K HN 0.208 nan 8.250 nan 0.000 0.469 355 P HA 0.137 nan 4.420 nan 0.000 0.271 355 P C -0.585 176.891 177.300 0.294 0.000 1.216 355 P CA -0.506 62.746 63.100 0.253 0.000 0.776 355 P CB 0.710 32.556 31.700 0.245 0.000 0.881 356 L N 3.126 124.515 121.223 0.277 0.000 2.381 356 L HA 0.403 4.754 4.340 0.018 0.000 0.268 356 L C -0.292 176.583 176.870 0.009 0.000 0.997 356 L CA -1.085 53.845 54.840 0.150 0.000 0.818 356 L CB 1.523 43.660 42.059 0.131 0.000 1.310 356 L HN 0.264 nan 8.230 nan 0.000 0.416 357 L N 4.419 125.355 121.223 -0.478 0.000 2.361 357 L HA 0.379 4.729 4.340 0.018 0.000 0.278 357 L C -0.319 176.413 176.870 -0.229 0.000 1.113 357 L CA 0.258 54.764 54.840 -0.557 0.000 0.849 357 L CB 0.195 41.599 42.059 -1.092 0.000 1.155 357 L HN 0.283 nan 8.230 nan 0.000 0.452 358 I N 6.300 126.796 120.570 -0.123 0.000 2.517 358 I HA 0.168 4.349 4.170 0.018 0.000 0.285 358 I C 0.330 176.365 176.117 -0.138 0.000 1.106 358 I CA 0.390 61.634 61.300 -0.093 0.000 1.402 358 I CB -0.037 37.957 38.000 -0.010 0.000 1.399 358 I HN 0.665 nan 8.210 nan 0.000 0.535 359 R N 4.571 125.034 120.500 -0.061 0.000 2.435 359 R HA 0.691 5.042 4.340 0.018 0.000 0.308 359 R C 0.074 176.409 176.300 0.059 0.000 0.975 359 R CA -0.514 55.599 56.100 0.021 0.000 0.867 359 R CB 2.174 32.483 30.300 0.016 0.000 1.171 359 R HN 0.886 nan 8.270 nan 0.000 0.470 360 G N 0.542 109.425 108.800 0.140 0.000 2.500 360 G HA2 0.626 4.597 3.960 0.018 0.000 0.299 360 G HA3 0.626 4.597 3.960 0.018 0.000 0.299 360 G C -1.356 173.662 174.900 0.197 0.000 1.242 360 G CA -0.295 44.881 45.100 0.127 0.000 0.859 360 G HN 0.640 nan 8.290 nan 0.000 0.481 361 G N -1.680 107.214 108.800 0.158 0.000 2.690 361 G HA2 0.672 4.643 3.960 0.018 0.000 0.293 361 G HA3 0.672 4.643 3.960 0.018 0.000 0.293 361 G C -0.197 174.758 174.900 0.092 0.000 1.399 361 G CA 0.286 45.483 45.100 0.160 0.000 0.890 361 G HN 1.355 nan 8.290 nan 0.000 0.485 362 G N -0.725 108.069 108.800 -0.011 0.000 2.361 362 G HA2 0.440 4.411 3.960 0.018 0.000 0.260 362 G HA3 0.440 4.411 3.960 0.018 0.000 0.260 362 G C -0.751 173.968 174.900 -0.301 0.000 1.261 362 G CA -0.070 44.930 45.100 -0.166 0.000 0.897 362 G HN 0.654 nan 8.290 nan 0.000 0.499 363 Y N 1.990 122.155 120.300 -0.225 0.000 2.334 363 Y HA 0.620 5.181 4.550 0.018 0.000 0.328 363 Y C 0.333 176.107 175.900 -0.211 0.000 1.130 363 Y CA -0.508 57.492 58.100 -0.167 0.000 1.163 363 Y CB 2.225 40.695 38.460 0.017 0.000 1.207 363 Y HN 0.574 nan 8.280 nan 0.000 0.471 364 T N 8.151 122.205 114.554 -0.833 0.000 2.893 364 T HA 0.548 4.909 4.350 0.018 0.000 0.293 364 T C -2.933 171.413 174.700 -0.590 0.000 1.027 364 T CA -2.239 59.583 62.100 -0.465 0.000 0.988 364 T CB 1.573 70.299 68.868 -0.236 0.000 1.043 364 T HN 0.535 nan 8.240 nan 0.000 0.461 365 P HA 0.283 nan 4.420 nan 0.000 0.297 365 P C -0.659 176.722 177.300 0.135 0.000 1.303 365 P CA -0.309 62.858 63.100 0.112 0.000 0.753 365 P CB 0.316 32.206 31.700 0.318 0.000 1.281 366 D N -1.051 119.443 120.400 0.156 0.000 2.414 366 D HA -0.038 4.612 4.640 0.018 0.000 0.242 366 D C 1.226 177.485 176.300 -0.069 0.000 1.129 366 D CA -0.353 53.690 54.000 0.071 0.000 0.885 366 D CB 0.188 41.084 40.800 0.161 0.000 1.198 366 D HN 0.067 nan 8.370 nan 0.000 0.437 367 L N 3.648 124.554 121.223 -0.527 0.000 2.187 367 L HA -0.040 4.311 4.340 0.018 0.000 0.213 367 L C 0.607 177.014 176.870 -0.772 0.000 1.100 367 L CA 1.664 55.810 54.840 -1.158 0.000 0.765 367 L CB -0.425 40.657 42.059 -1.627 0.000 0.904 367 L HN 0.542 nan 8.230 nan 0.000 0.437 368 F N -0.935 119.068 119.950 0.088 0.000 2.647 368 F HA 0.371 4.909 4.527 0.017 0.000 0.300 368 F C 0.928 176.841 175.800 0.189 0.000 1.106 368 F CA -0.776 57.313 58.000 0.149 0.000 1.313 368 F CB -0.494 38.588 39.000 0.137 0.000 1.007 368 F HN -0.191 nan 8.300 nan 0.000 0.536 369 L N 0.081 121.489 121.223 0.309 0.000 3.737 369 L HA -0.311 4.040 4.340 0.018 0.000 0.418 369 L C 0.301 177.357 176.870 0.309 0.000 1.216 369 L CA 0.303 55.334 54.840 0.318 0.000 0.915 369 L CB -1.734 40.500 42.059 0.292 0.000 1.834 369 L HN 0.289 nan 8.230 nan 0.000 0.943 370 R N 0.954 121.630 120.500 0.294 0.000 2.458 370 R HA 0.076 4.427 4.340 0.018 0.000 0.303 370 R C 0.165 176.655 176.300 0.316 0.000 1.013 370 R CA 0.061 56.321 56.100 0.266 0.000 1.026 370 R CB 0.574 30.995 30.300 0.202 0.000 0.948 370 R HN 0.333 nan 8.270 nan 0.000 0.417 371 W N 5.251 126.637 121.300 0.143 0.000 2.496 371 W HA 0.317 4.988 4.660 0.018 0.000 0.327 371 W C -1.166 175.428 176.519 0.124 0.000 1.086 371 W CA -0.616 56.816 57.345 0.144 0.000 1.222 371 W CB 1.431 30.978 29.460 0.146 0.000 1.304 371 W HN 0.501 nan 8.180 nan 0.000 0.547 372 N N 4.096 122.262 118.700 -0.891 0.000 2.542 372 N HA -0.030 4.721 4.740 0.018 0.000 0.288 372 N C 0.298 175.114 175.510 -1.157 0.000 1.115 372 N CA -0.052 52.529 53.050 -0.782 0.000 0.924 372 N CB 1.776 40.077 38.487 -0.311 0.000 1.526 372 N HN 0.717 nan 8.380 nan 0.000 0.515 373 E N 2.009 121.683 120.200 -0.878 0.000 2.049 373 E HA -0.178 4.183 4.350 0.018 0.000 0.198 373 E C 0.813 177.234 176.600 -0.298 0.000 1.007 373 E CA 2.410 58.532 56.400 -0.464 0.000 0.809 373 E CB 0.193 29.912 29.700 0.031 0.000 0.749 373 E HN 0.693 nan 8.360 nan 0.000 0.450 374 T N 0.617 115.046 114.554 -0.208 0.000 2.652 374 T HA -0.211 4.150 4.350 0.018 0.000 0.267 374 T C 1.929 176.528 174.700 -0.167 0.000 1.039 374 T CA 1.603 63.620 62.100 -0.139 0.000 1.153 374 T CB -0.596 68.214 68.868 -0.096 0.000 0.863 374 T HN 0.395 nan 8.240 nan 0.000 0.428 375 A N 1.476 124.174 122.820 -0.204 0.000 1.948 375 A HA 0.010 4.340 4.320 0.018 0.000 0.220 375 A C 2.617 180.109 177.584 -0.153 0.000 1.177 375 A CA 2.085 54.017 52.037 -0.175 0.000 0.636 375 A CB -1.095 17.812 19.000 -0.155 0.000 0.815 375 A HN 0.553 nan 8.150 nan 0.000 0.449 376 A N -0.443 122.246 122.820 -0.217 0.000 1.898 376 A HA 0.245 4.576 4.320 0.018 0.000 0.216 376 A C 2.481 180.016 177.584 -0.082 0.000 1.181 376 A CA 1.837 53.834 52.037 -0.067 0.000 0.620 376 A CB -0.916 18.033 19.000 -0.085 0.000 0.819 376 A HN 1.068 nan 8.150 nan 0.000 0.442 377 A N -0.081 122.670 122.820 -0.115 0.000 1.969 377 A HA -0.125 4.206 4.320 0.018 0.000 0.218 377 A C 1.718 179.236 177.584 -0.109 0.000 1.169 377 A CA 1.784 53.757 52.037 -0.106 0.000 0.635 377 A CB -0.465 18.491 19.000 -0.074 0.000 0.810 377 A HN 0.439 nan 8.150 nan 0.000 0.445 378 D N -0.017 120.298 120.400 -0.142 0.000 2.097 378 D HA -0.099 4.552 4.640 0.018 0.000 0.197 378 D C 1.953 178.061 176.300 -0.321 0.000 0.984 378 D CA 1.306 55.183 54.000 -0.206 0.000 0.826 378 D CB -0.232 40.415 40.800 -0.254 0.000 0.973 378 D HN 0.468 nan 8.370 nan 0.000 0.460 379 K N 0.291 120.519 120.400 -0.286 0.000 2.002 379 K HA -0.068 4.262 4.320 0.018 0.000 0.209 379 K C 2.354 178.943 176.600 -0.019 0.000 1.048 379 K CA 0.702 56.843 56.287 -0.244 0.000 0.930 379 K CB -0.304 32.288 32.500 0.153 0.000 0.714 379 K HN 0.112 nan 8.250 nan 0.000 0.438 380 L N 1.287 122.494 121.223 -0.027 0.000 2.079 380 L HA -0.227 4.124 4.340 0.018 0.000 0.210 380 L C 2.311 179.180 176.870 -0.001 0.000 1.081 380 L CA 1.401 56.205 54.840 -0.060 0.000 0.752 380 L CB -0.355 41.560 42.059 -0.241 0.000 0.896 380 L HN 0.160 nan 8.230 nan 0.000 0.433 381 K N -1.126 119.275 120.400 0.001 0.000 2.147 381 K HA -0.196 4.135 4.320 0.018 0.000 0.205 381 K C 2.108 178.806 176.600 0.164 0.000 1.049 381 K CA 1.283 57.605 56.287 0.058 0.000 0.936 381 K CB -0.190 32.340 32.500 0.051 0.000 0.722 381 K HN 0.139 nan 8.250 nan 0.000 0.446 382 Y N 0.776 121.038 120.300 -0.063 0.000 2.224 382 Y HA -0.198 4.362 4.550 0.017 0.000 0.289 382 Y C 2.219 178.146 175.900 0.046 0.000 1.146 382 Y CA 0.339 58.433 58.100 -0.010 0.000 1.182 382 Y CB -0.638 37.698 38.460 -0.207 0.000 0.983 382 Y HN -0.206 nan 8.280 nan 0.000 0.524 383 V N 0.032 120.067 119.914 0.203 0.000 2.282 383 V HA -0.333 3.797 4.120 0.018 0.000 0.249 383 V C 2.376 178.474 176.094 0.006 0.000 1.057 383 V CA 1.885 64.246 62.300 0.102 0.000 1.032 383 V CB -0.872 31.007 31.823 0.093 0.000 0.645 383 V HN 0.349 nan 8.190 nan 0.000 0.447 384 L N 0.030 121.260 121.223 0.013 0.000 2.156 384 L HA -0.139 4.212 4.340 0.018 0.000 0.208 384 L C 2.461 179.310 176.870 -0.036 0.000 1.095 384 L CA 1.655 56.483 54.840 -0.020 0.000 0.770 384 L CB -0.798 41.254 42.059 -0.011 0.000 0.914 384 L HN 0.492 nan 8.230 nan 0.000 0.439 385 N N 0.958 119.648 118.700 -0.017 0.000 2.120 385 N HA -0.172 4.579 4.740 0.018 0.000 0.188 385 N C 1.978 177.420 175.510 -0.113 0.000 1.024 385 N CA 1.037 54.066 53.050 -0.035 0.000 0.852 385 N CB 0.063 38.535 38.487 -0.025 0.000 1.003 385 N HN 0.282 nan 8.380 nan 0.000 0.424 386 L N 0.185 121.285 121.223 -0.205 0.000 2.353 386 L HA -0.034 4.317 4.340 0.018 0.000 0.220 386 L C 1.479 178.169 176.870 -0.301 0.000 1.133 386 L CA 0.905 55.524 54.840 -0.368 0.000 0.798 386 L CB -0.408 41.397 42.059 -0.424 0.000 0.922 386 L HN 0.434 nan 8.230 nan 0.000 0.445 387 G N -0.139 108.544 108.800 -0.194 0.000 2.143 387 G HA2 -0.277 3.693 3.960 0.018 0.000 0.248 387 G HA3 -0.277 3.693 3.960 0.018 0.000 0.248 387 G C 0.277 175.067 174.900 -0.184 0.000 0.991 387 G CA 0.040 45.037 45.100 -0.171 0.000 0.689 387 G HN 0.236 nan 8.290 nan 0.000 0.522 388 L N -0.195 120.916 121.223 -0.186 0.000 2.475 388 L HA 0.405 4.756 4.340 0.018 0.000 0.253 388 L C 1.537 178.366 176.870 -0.068 0.000 1.198 388 L CA 0.041 54.794 54.840 -0.145 0.000 0.814 388 L CB 0.423 42.408 42.059 -0.124 0.000 1.134 388 L HN 0.323 nan 8.230 nan 0.000 0.478 389 N N -2.270 116.408 118.700 -0.037 0.000 2.181 389 N HA 0.082 4.832 4.740 0.018 0.000 0.207 389 N C -0.321 175.204 175.510 0.024 0.000 1.182 389 N CA -0.164 52.883 53.050 -0.006 0.000 0.893 389 N CB 0.885 39.369 38.487 -0.004 0.000 1.032 389 N HN 0.536 nan 8.380 nan 0.000 0.513 390 T N -0.104 114.465 114.554 0.027 0.000 2.889 390 T HA 0.598 4.959 4.350 0.018 0.000 0.315 390 T C -1.148 173.592 174.700 0.067 0.000 1.291 390 T CA -0.695 61.430 62.100 0.043 0.000 1.028 390 T CB 2.239 71.119 68.868 0.020 0.000 1.235 390 T HN 0.128 nan 8.240 nan 0.000 0.491 391 V N -0.204 119.759 119.914 0.082 0.000 2.914 391 V HA 0.859 4.989 4.120 0.018 0.000 0.314 391 V C -0.618 175.545 176.094 0.116 0.000 1.084 391 V CA -1.248 61.125 62.300 0.120 0.000 0.963 391 V CB 2.050 33.967 31.823 0.157 0.000 1.025 391 V HN 0.922 nan 8.190 nan 0.000 0.432 392 R N 2.201 122.779 120.500 0.130 0.000 2.532 392 R HA 0.791 5.142 4.340 0.018 0.000 0.295 392 R C -1.768 174.602 176.300 0.117 0.000 0.968 392 R CA -0.829 55.332 56.100 0.103 0.000 0.916 392 R CB 1.700 32.069 30.300 0.115 0.000 1.124 392 R HN 0.795 nan 8.270 nan 0.000 0.463 393 L N 3.360 124.623 121.223 0.066 0.000 2.324 393 L HA 0.300 4.651 4.340 0.018 0.000 0.274 393 L C -0.205 176.701 176.870 0.061 0.000 1.012 393 L CA -0.001 54.895 54.840 0.094 0.000 0.859 393 L CB 1.611 43.703 42.059 0.056 0.000 1.224 393 L HN 0.634 nan 8.230 nan 0.000 0.429 394 E N 3.542 123.874 120.200 0.221 0.000 1.814 394 E HA 0.417 4.778 4.350 0.018 0.000 0.264 394 E C 0.902 177.685 176.600 0.305 0.000 1.179 394 E CA 0.418 56.971 56.400 0.255 0.000 0.972 394 E CB 0.108 30.116 29.700 0.512 0.000 1.077 394 E HN 0.753 nan 8.360 nan 0.000 0.417 395 G N 3.934 112.746 108.800 0.020 0.000 2.601 395 G HA2 -0.369 3.602 3.960 0.018 0.000 0.261 395 G HA3 -0.369 3.602 3.960 0.018 0.000 0.261 395 G C -0.155 174.826 174.900 0.136 0.000 1.289 395 G CA 0.144 45.203 45.100 -0.069 0.000 0.920 395 G HN 0.990 nan 8.290 nan 0.000 0.571 396 H N -2.007 117.097 119.070 0.057 0.000 2.655 396 H HA -0.150 4.417 4.556 0.018 0.000 0.313 396 H C 1.011 176.412 175.328 0.122 0.000 1.141 396 H CA 0.786 56.859 56.048 0.042 0.000 1.138 396 H CB -2.023 27.691 29.762 -0.081 0.000 1.446 396 H HN 0.728 nan 8.280 nan 0.000 0.415 397 I N 1.327 122.064 120.570 0.277 0.000 2.578 397 I HA -0.025 4.155 4.170 0.018 0.000 0.286 397 I C 1.061 177.298 176.117 0.201 0.000 1.126 397 I CA 0.169 61.583 61.300 0.190 0.000 1.380 397 I CB 0.264 38.306 38.000 0.069 0.000 1.408 397 I HN 0.254 nan 8.210 nan 0.000 0.532 398 E N 7.829 128.043 120.200 0.023 0.000 2.436 398 E HA 0.098 4.459 4.350 0.018 0.000 0.262 398 E C -2.025 174.615 176.600 0.066 0.000 1.063 398 E CA -1.290 55.069 56.400 -0.067 0.000 0.944 398 E CB 0.022 29.359 29.700 -0.606 0.000 0.950 398 E HN 0.327 nan 8.360 nan 0.000 0.444 399 P HA -0.060 nan 4.420 nan 0.000 0.270 399 P C 0.453 177.761 177.300 0.014 0.000 1.221 399 P CA -0.058 62.934 63.100 -0.179 0.000 0.788 399 P CB 0.463 31.754 31.700 -0.682 0.000 0.904 400 D N 0.621 121.050 120.400 0.049 0.000 2.158 400 D HA -0.178 4.473 4.640 0.018 0.000 0.197 400 D C 1.503 177.920 176.300 0.194 0.000 0.995 400 D CA 1.568 55.666 54.000 0.164 0.000 0.846 400 D CB -0.192 40.701 40.800 0.154 0.000 0.941 400 D HN 0.493 nan 8.370 nan 0.000 0.456 401 E N -0.120 120.169 120.200 0.148 0.000 2.110 401 E HA -0.127 4.234 4.350 0.018 0.000 0.193 401 E C 1.790 178.579 176.600 0.314 0.000 0.988 401 E CA 0.297 56.858 56.400 0.268 0.000 0.804 401 E CB -0.396 29.559 29.700 0.427 0.000 0.745 401 E HN 0.314 nan 8.360 nan 0.000 0.458 402 F N 0.065 120.133 119.950 0.198 0.000 2.091 402 F HA -0.268 4.270 4.527 0.017 0.000 0.299 402 F C 1.586 177.249 175.800 -0.229 0.000 1.103 402 F CA 1.529 59.537 58.000 0.014 0.000 1.228 402 F CB -0.142 38.775 39.000 -0.140 0.000 0.984 402 F HN -0.017 nan 8.300 nan 0.000 0.477 403 F N 0.506 120.491 119.950 0.060 0.000 2.259 403 F HA -0.119 4.419 4.527 0.018 0.000 0.298 403 F C 2.278 177.952 175.800 -0.209 0.000 1.088 403 F CA 1.206 59.067 58.000 -0.231 0.000 1.358 403 F CB -0.818 37.805 39.000 -0.628 0.000 1.040 403 F HN -0.064 nan 8.300 nan 0.000 0.505 404 D N 0.642 121.099 120.400 0.095 0.000 2.104 404 D HA -0.189 4.462 4.640 0.018 0.000 0.194 404 D C 2.402 178.756 176.300 0.089 0.000 0.994 404 D CA 1.527 55.634 54.000 0.177 0.000 0.830 404 D CB -0.455 40.459 40.800 0.190 0.000 0.959 404 D HN 0.229 nan 8.370 nan 0.000 0.452 405 I N 1.147 121.721 120.570 0.006 0.000 2.142 405 I HA -0.252 3.928 4.170 0.018 0.000 0.240 405 I C 2.553 178.617 176.117 -0.089 0.000 1.078 405 I CA 1.130 62.399 61.300 -0.053 0.000 1.343 405 I CB -0.291 37.639 38.000 -0.117 0.000 1.046 405 I HN -0.084 nan 8.210 nan 0.000 0.405 406 A N 0.620 123.307 122.820 -0.221 0.000 1.917 406 A HA -0.280 4.050 4.320 0.018 0.000 0.219 406 A C 1.971 179.620 177.584 0.107 0.000 1.182 406 A CA 2.289 54.230 52.037 -0.161 0.000 0.633 406 A CB -0.736 18.080 19.000 -0.307 0.000 0.819 406 A HN 0.384 nan 8.150 nan 0.000 0.448 407 D N 0.303 120.799 120.400 0.159 0.000 2.116 407 D HA -0.145 4.506 4.640 0.018 0.000 0.193 407 D C 1.337 177.904 176.300 0.446 0.000 0.998 407 D CA 1.616 55.808 54.000 0.320 0.000 0.836 407 D CB -0.442 40.473 40.800 0.192 0.000 0.951 407 D HN 0.437 nan 8.370 nan 0.000 0.449 408 D N -0.068 120.464 120.400 0.221 0.000 2.183 408 D HA -0.037 4.613 4.640 0.018 0.000 0.203 408 D C 2.234 178.591 176.300 0.094 0.000 0.969 408 D CA 0.275 54.365 54.000 0.150 0.000 0.842 408 D CB -0.057 40.789 40.800 0.076 0.000 0.957 408 D HN 0.262 nan 8.370 nan 0.000 0.484 409 L N -0.455 120.814 121.223 0.077 0.000 2.341 409 L HA 0.128 4.478 4.340 0.018 0.000 0.214 409 L C 1.327 178.210 176.870 0.021 0.000 1.115 409 L CA 0.557 55.410 54.840 0.023 0.000 0.820 409 L CB -0.169 41.881 42.059 -0.014 0.000 0.944 409 L HN 0.106 nan 8.230 nan 0.000 0.452 410 G N 0.898 109.772 108.800 0.123 0.000 2.182 410 G HA2 -0.225 3.746 3.960 0.018 0.000 0.248 410 G HA3 -0.225 3.746 3.960 0.018 0.000 0.248 410 G C -0.066 174.910 174.900 0.125 0.000 1.042 410 G CA -0.011 45.125 45.100 0.059 0.000 0.775 410 G HN 0.103 nan 8.290 nan 0.000 0.501 411 V N 1.349 121.354 119.914 0.152 0.000 2.407 411 V HA 0.516 4.646 4.120 0.018 0.000 0.278 411 V C 1.074 177.258 176.094 0.149 0.000 1.037 411 V CA -0.653 61.701 62.300 0.090 0.000 0.900 411 V CB 1.478 33.294 31.823 -0.012 0.000 0.983 411 V HN 0.363 nan 8.190 nan 0.000 0.459 412 L N 4.988 126.298 121.223 0.145 0.000 2.371 412 L HA 0.505 4.856 4.340 0.018 0.000 0.272 412 L C 0.650 177.585 176.870 0.108 0.000 1.124 412 L CA -0.035 54.898 54.840 0.154 0.000 0.816 412 L CB 1.267 43.401 42.059 0.125 0.000 1.129 412 L HN 0.788 nan 8.230 nan 0.000 0.448 413 T N 0.183 114.823 114.554 0.144 0.000 2.856 413 T HA 0.620 4.981 4.350 0.018 0.000 0.283 413 T C -0.259 174.532 174.700 0.153 0.000 1.008 413 T CA -0.818 61.391 62.100 0.182 0.000 0.997 413 T CB 1.678 70.765 68.868 0.365 0.000 0.992 413 T HN 0.504 nan 8.240 nan 0.000 0.454 414 M N 3.583 123.251 119.600 0.114 0.000 2.854 414 M HA 0.289 4.780 4.480 0.018 0.000 0.203 414 M C -2.601 173.690 176.300 -0.016 0.000 1.069 414 M CA -1.882 53.456 55.300 0.064 0.000 0.803 414 M CB 1.332 33.958 32.600 0.042 0.000 1.380 414 M HN 0.471 nan 8.290 nan 0.000 0.494 415 P HA 0.586 nan 4.420 nan 0.000 0.276 415 P C -0.142 176.622 177.300 -0.893 0.000 1.244 415 P CA 0.180 63.096 63.100 -0.306 0.000 0.801 415 P CB 1.832 33.434 31.700 -0.163 0.000 1.006 416 G N 0.197 108.308 108.800 -1.149 0.000 2.441 416 G HA2 0.368 4.339 3.960 0.018 0.000 0.294 416 G HA3 0.368 4.339 3.960 0.018 0.000 0.294 416 G C -1.900 172.348 174.900 -1.086 0.000 1.393 416 G CA -0.979 43.097 45.100 -1.705 0.000 0.796 416 G HN 0.378 nan 8.290 nan 0.000 0.494 417 W N 0.951 121.903 121.300 -0.581 0.000 2.161 417 W HA 0.478 5.149 4.660 0.017 0.000 0.344 417 W C 1.107 177.411 176.519 -0.358 0.000 1.262 417 W CA -0.528 56.474 57.345 -0.573 0.000 1.270 417 W CB 0.700 29.862 29.460 -0.497 0.000 1.126 417 W HN 0.660 nan 8.180 nan 0.000 0.598 418 E N 0.969 121.103 120.200 -0.110 0.000 2.250 418 E HA 0.449 4.810 4.350 0.018 0.000 0.265 418 E C -0.060 176.620 176.600 0.132 0.000 1.033 418 E CA -0.949 55.456 56.400 0.008 0.000 0.888 418 E CB 1.198 30.860 29.700 -0.062 0.000 1.151 418 E HN 0.556 nan 8.360 nan 0.000 0.412 419 C N -0.372 119.015 119.300 0.145 0.000 2.396 419 C HA 0.502 4.973 4.460 0.018 0.000 0.359 419 C C 1.066 176.143 174.990 0.146 0.000 1.307 419 C CA 0.084 59.206 59.018 0.173 0.000 2.392 419 C CB -0.346 27.487 27.740 0.155 0.000 2.245 419 C HN 1.052 nan 8.230 nan 0.000 0.615 420 C N 0.927 120.311 119.300 0.139 0.000 4.497 420 C HA -0.057 4.414 4.460 0.018 0.000 0.268 420 C C 0.003 175.034 174.990 0.068 0.000 1.343 420 C CA 1.341 60.414 59.018 0.090 0.000 1.742 420 C CB -3.588 24.202 27.740 0.084 0.000 1.450 420 C HN 1.213 nan 8.230 nan 0.000 0.733 421 D N -1.501 118.959 120.400 0.099 0.000 3.158 421 D HA 0.444 5.095 4.640 0.018 0.000 0.314 421 D C 0.645 177.000 176.300 0.092 0.000 1.308 421 D CA -0.084 53.960 54.000 0.074 0.000 1.001 421 D CB -0.038 40.798 40.800 0.059 0.000 1.389 421 D HN -0.171 nan 8.370 nan 0.000 0.595 422 K N -0.294 120.108 120.400 0.003 0.000 2.077 422 K HA -0.142 4.189 4.320 0.018 0.000 0.213 422 K C 1.780 178.402 176.600 0.036 0.000 1.051 422 K CA 2.084 58.312 56.287 -0.099 0.000 0.929 422 K CB -0.798 31.479 32.500 -0.372 0.000 0.715 422 K HN 0.571 nan 8.250 nan 0.000 0.451 423 W N 0.762 122.127 121.300 0.109 0.000 2.325 423 W HA -0.150 4.521 4.660 0.018 0.000 0.299 423 W C 1.653 178.327 176.519 0.258 0.000 1.215 423 W CA 1.599 59.067 57.345 0.205 0.000 1.244 423 W CB -0.106 29.420 29.460 0.110 0.000 1.140 423 W HN 0.261 nan 8.180 nan 0.000 0.523 424 E N -0.984 119.424 120.200 0.346 0.000 2.498 424 E HA 0.099 4.459 4.350 0.018 0.000 0.203 424 E C 2.251 178.845 176.600 -0.010 0.000 1.013 424 E CA 0.211 56.703 56.400 0.152 0.000 0.927 424 E CB 0.059 29.864 29.700 0.175 0.000 1.012 424 E HN 0.243 nan 8.360 nan 0.000 0.482 425 G N 1.463 110.311 108.800 0.081 0.000 2.499 425 G HA2 -0.331 3.640 3.960 0.018 0.000 0.221 425 G HA3 -0.331 3.640 3.960 0.018 0.000 0.221 425 G C 1.576 176.424 174.900 -0.087 0.000 1.109 425 G CA 0.763 45.879 45.100 0.026 0.000 0.749 425 G HN 0.142 nan 8.290 nan 0.000 0.568 426 Q N 0.029 119.647 119.800 -0.303 0.000 2.389 426 Q HA 0.097 4.447 4.340 0.018 0.000 0.204 426 Q C 1.859 177.683 176.000 -0.293 0.000 0.944 426 Q CA 1.192 56.751 55.803 -0.405 0.000 0.908 426 Q CB 0.211 28.403 28.738 -0.910 0.000 1.002 426 Q HN 0.520 nan 8.270 nan 0.000 0.493 427 V N -2.571 117.171 119.914 -0.288 0.000 3.329 427 V HA 0.314 4.445 4.120 0.018 0.000 0.317 427 V C 0.161 175.938 176.094 -0.527 0.000 1.495 427 V CA 0.242 62.384 62.300 -0.263 0.000 1.105 427 V CB -0.709 31.033 31.823 -0.135 0.000 0.985 427 V HN 0.459 nan 8.190 nan 0.000 0.475 428 N N 0.196 118.513 118.700 -0.640 0.000 2.235 428 N HA 0.441 5.191 4.740 0.018 0.000 0.231 428 N C 1.238 176.357 175.510 -0.652 0.000 1.177 428 N CA 0.239 52.587 53.050 -1.170 0.000 0.874 428 N CB 1.234 39.217 38.487 -0.839 0.000 1.097 428 N HN 0.548 nan 8.380 nan 0.000 0.518 429 G N 2.824 111.394 108.800 -0.384 0.000 2.698 429 G HA2 -0.471 3.500 3.960 0.018 0.000 0.337 429 G HA3 -0.471 3.500 3.960 0.018 0.000 0.337 429 G C 0.698 175.517 174.900 -0.135 0.000 1.196 429 G CA 1.214 46.198 45.100 -0.195 0.000 0.965 429 G HN 0.456 nan 8.290 nan 0.000 0.550 430 E N 1.661 121.804 120.200 -0.094 0.000 2.371 430 E HA 0.324 4.685 4.350 0.018 0.000 0.194 430 E C 1.151 177.720 176.600 -0.052 0.000 1.012 430 E CA 0.825 57.193 56.400 -0.052 0.000 0.860 430 E CB 0.084 29.771 29.700 -0.021 0.000 0.811 430 E HN 0.634 nan 8.360 nan 0.000 0.502 431 E N 2.093 122.244 120.200 -0.082 0.000 2.398 431 E HA -0.029 4.332 4.350 0.018 0.000 0.263 431 E C -0.332 176.241 176.600 -0.044 0.000 1.046 431 E CA -0.282 56.086 56.400 -0.054 0.000 0.908 431 E CB 0.514 30.181 29.700 -0.054 0.000 0.963 431 E HN -0.204 nan 8.360 nan 0.000 0.431 432 K N 2.347 122.741 120.400 -0.011 0.000 2.550 432 K HA 0.310 4.641 4.320 0.018 0.000 0.280 432 K C 0.136 176.734 176.600 -0.004 0.000 0.987 432 K CA 1.121 57.406 56.287 -0.003 0.000 1.048 432 K CB -0.082 32.426 32.500 0.013 0.000 0.879 432 K HN 0.783 nan 8.250 nan 0.000 0.491 433 G N 2.426 111.221 108.800 -0.008 0.000 2.760 433 G HA2 -0.080 3.891 3.960 0.018 0.000 0.540 433 G HA3 -0.080 3.891 3.960 0.018 0.000 0.540 433 G C -1.096 173.803 174.900 -0.002 0.000 1.476 433 G CA -0.939 44.161 45.100 -0.001 0.000 0.949 433 G HN 0.490 nan 8.290 nan 0.000 0.633 434 E N 2.561 122.759 120.200 -0.003 0.000 2.366 434 E HA 0.381 4.742 4.350 0.018 0.000 0.266 434 E C -1.981 174.664 176.600 0.076 0.000 1.051 434 E CA -1.426 54.977 56.400 0.005 0.000 0.884 434 E CB 1.204 30.887 29.700 -0.029 0.000 1.006 434 E HN 0.289 nan 8.360 nan 0.000 0.417 435 P HA -0.068 nan 4.420 nan 0.000 0.269 435 P C -0.993 176.440 177.300 0.222 0.000 1.215 435 P CA 0.022 63.190 63.100 0.114 0.000 0.780 435 P CB 0.374 32.103 31.700 0.048 0.000 0.898 436 W N 2.023 123.255 121.300 -0.115 0.000 2.251 436 W HA 0.342 5.012 4.660 0.017 0.000 0.329 436 W C 0.043 176.551 176.519 -0.018 0.000 1.234 436 W CA -0.241 57.008 57.345 -0.160 0.000 1.228 436 W CB -0.081 29.145 29.460 -0.389 0.000 1.135 436 W HN 0.116 nan 8.180 nan 0.000 0.576 437 V N 0.051 120.044 119.914 0.131 0.000 3.093 437 V HA 0.432 4.563 4.120 0.018 0.000 0.320 437 V C 1.023 177.259 176.094 0.236 0.000 1.093 437 V CA -0.816 61.566 62.300 0.137 0.000 1.016 437 V CB 1.619 33.455 31.823 0.022 0.000 1.096 437 V HN 0.556 nan 8.190 nan 0.000 0.452 438 E N 1.596 121.904 120.200 0.179 0.000 2.147 438 E HA -0.193 4.168 4.350 0.018 0.000 0.199 438 E C 2.211 178.926 176.600 0.193 0.000 1.005 438 E CA 2.092 58.598 56.400 0.177 0.000 0.810 438 E CB -0.387 29.334 29.700 0.034 0.000 0.736 438 E HN 1.021 nan 8.360 nan 0.000 0.460 439 S N 0.416 116.150 115.700 0.055 0.000 2.522 439 S HA -0.056 4.425 4.470 0.018 0.000 0.227 439 S C 1.285 175.805 174.600 -0.133 0.000 0.986 439 S CA 0.521 58.702 58.200 -0.032 0.000 0.929 439 S CB 0.122 63.277 63.200 -0.076 0.000 0.769 439 S HN 0.053 nan 8.310 nan 0.000 0.529 440 D N 0.997 121.263 120.400 -0.222 0.000 2.183 440 D HA -0.001 4.649 4.640 0.018 0.000 0.203 440 D C 1.351 177.273 176.300 -0.630 0.000 0.969 440 D CA 0.934 54.547 54.000 -0.646 0.000 0.842 440 D CB -0.315 39.800 40.800 -1.142 0.000 0.957 440 D HN 0.491 nan 8.370 nan 0.000 0.484 441 Y N 0.754 120.954 120.300 -0.167 0.000 2.145 441 Y HA -0.098 4.462 4.550 0.018 0.000 0.286 441 Y C -0.391 175.476 175.900 -0.056 0.000 1.145 441 Y CA 1.070 59.174 58.100 0.007 0.000 1.148 441 Y CB -1.751 36.761 38.460 0.086 0.000 0.981 441 Y HN 0.150 nan 8.280 nan 0.000 0.507 442 P HA -0.150 nan 4.420 nan 0.000 0.216 442 P C 1.427 178.707 177.300 -0.034 0.000 1.153 442 P CA 1.648 64.755 63.100 0.012 0.000 0.848 442 P CB -0.085 31.610 31.700 -0.008 0.000 0.787 443 I N -0.527 119.972 120.570 -0.118 0.000 2.179 443 I HA -0.256 3.924 4.170 0.018 0.000 0.242 443 I C 2.398 178.439 176.117 -0.127 0.000 1.088 443 I CA 1.482 62.693 61.300 -0.148 0.000 1.357 443 I CB -0.986 36.854 38.000 -0.265 0.000 1.051 443 I HN -0.090 nan 8.210 nan 0.000 0.409 444 A N 1.133 123.825 122.820 -0.214 0.000 1.851 444 A HA -0.308 4.023 4.320 0.018 0.000 0.216 444 A C 2.395 180.119 177.584 0.233 0.000 1.195 444 A CA 2.359 54.373 52.037 -0.039 0.000 0.622 444 A CB -0.706 18.268 19.000 -0.043 0.000 0.831 444 A HN 0.377 nan 8.150 nan 0.000 0.444 445 K N -0.434 120.064 120.400 0.164 0.000 2.009 445 K HA -0.135 4.196 4.320 0.018 0.000 0.210 445 K C 2.150 178.875 176.600 0.210 0.000 1.049 445 K CA 1.574 57.988 56.287 0.211 0.000 0.929 445 K CB -0.420 32.151 32.500 0.118 0.000 0.714 445 K HN 0.359 nan 8.250 nan 0.000 0.440 446 A N 0.581 123.477 122.820 0.126 0.000 1.908 446 A HA -0.175 4.155 4.320 0.018 0.000 0.218 446 A C 2.195 179.891 177.584 0.186 0.000 1.181 446 A CA 2.219 54.332 52.037 0.126 0.000 0.627 446 A CB -0.782 18.240 19.000 0.037 0.000 0.818 446 A HN 0.425 nan 8.150 nan 0.000 0.445 447 S N -0.970 114.844 115.700 0.191 0.000 2.359 447 S HA -0.226 4.255 4.470 0.018 0.000 0.224 447 S C 1.997 176.787 174.600 0.317 0.000 1.035 447 S CA 1.957 60.324 58.200 0.278 0.000 1.018 447 S CB -0.375 63.007 63.200 0.303 0.000 0.876 447 S HN 0.579 nan 8.310 nan 0.000 0.448 448 M N 0.941 120.753 119.600 0.353 0.000 2.117 448 M HA -0.022 4.469 4.480 0.018 0.000 0.262 448 M C 1.701 177.993 176.300 -0.014 0.000 1.065 448 M CA 1.392 56.819 55.300 0.212 0.000 1.114 448 M CB -0.714 32.070 32.600 0.307 0.000 1.361 448 M HN 0.321 nan 8.290 nan 0.000 0.408 449 F N -0.149 119.790 119.950 -0.019 0.000 2.102 449 F HA -0.169 4.369 4.527 0.018 0.000 0.298 449 F C 2.163 177.905 175.800 -0.097 0.000 1.105 449 F CA 2.005 59.962 58.000 -0.072 0.000 1.239 449 F CB -0.717 38.260 39.000 -0.037 0.000 0.991 449 F HN 0.158 nan 8.300 nan 0.000 0.474 450 S N 0.179 115.828 115.700 -0.085 0.000 2.356 450 S HA -0.170 4.310 4.470 0.018 0.000 0.223 450 S C 1.865 176.339 174.600 -0.211 0.000 1.032 450 S CA 1.339 59.450 58.200 -0.148 0.000 1.005 450 S CB -0.359 62.854 63.200 0.021 0.000 0.867 450 S HN 0.409 nan 8.310 nan 0.000 0.449 451 E N 1.504 121.592 120.200 -0.186 0.000 2.072 451 E HA -0.023 4.338 4.350 0.018 0.000 0.191 451 E C 2.377 178.730 176.600 -0.411 0.000 0.985 451 E CA 1.048 57.279 56.400 -0.281 0.000 0.801 451 E CB -0.534 28.938 29.700 -0.379 0.000 0.750 451 E HN 0.464 nan 8.360 nan 0.000 0.452 452 A N 1.411 123.895 122.820 -0.561 0.000 1.883 452 A HA -0.242 4.089 4.320 0.018 0.000 0.217 452 A C 2.141 179.558 177.584 -0.278 0.000 1.186 452 A CA 1.818 53.538 52.037 -0.529 0.000 0.624 452 A CB -0.567 18.073 19.000 -0.600 0.000 0.822 452 A HN 0.294 nan 8.150 nan 0.000 0.444 453 E N -0.501 119.401 120.200 -0.496 0.000 2.118 453 E HA -0.230 4.131 4.350 0.018 0.000 0.195 453 E C 2.320 178.770 176.600 -0.249 0.000 0.992 453 E CA 1.187 57.304 56.400 -0.472 0.000 0.804 453 E CB -0.086 29.216 29.700 -0.664 0.000 0.741 453 E HN 0.576 nan 8.360 nan 0.000 0.458 454 R N -0.224 120.162 120.500 -0.190 0.000 2.062 454 R HA -0.041 4.310 4.340 0.018 0.000 0.229 454 R C 2.545 178.828 176.300 -0.028 0.000 1.128 454 R CA 0.994 57.043 56.100 -0.085 0.000 0.960 454 R CB -0.112 30.144 30.300 -0.074 0.000 0.855 454 R HN 0.265 nan 8.270 nan 0.000 0.432 455 L N 0.688 121.872 121.223 -0.065 0.000 2.162 455 L HA -0.044 4.306 4.340 0.018 0.000 0.205 455 L C 2.583 179.479 176.870 0.043 0.000 1.086 455 L CA 0.697 55.527 54.840 -0.017 0.000 0.778 455 L CB -0.519 41.517 42.059 -0.039 0.000 0.928 455 L HN 0.202 nan 8.230 nan 0.000 0.446 456 R N 0.193 120.712 120.500 0.033 0.000 2.178 456 R HA -0.240 4.110 4.340 0.018 0.000 0.257 456 R C 0.419 176.578 176.300 -0.235 0.000 1.163 456 R CA 2.182 58.158 56.100 -0.208 0.000 0.981 456 R CB -0.672 29.527 30.300 -0.168 0.000 0.878 456 R HN 0.262 nan 8.270 nan 0.000 0.454 457 D N -0.137 120.144 120.400 -0.198 0.000 2.424 457 D HA 0.126 4.777 4.640 0.018 0.000 0.220 457 D C -0.579 175.537 176.300 -0.307 0.000 1.150 457 D CA 0.066 53.941 54.000 -0.208 0.000 0.831 457 D CB 0.143 40.851 40.800 -0.154 0.000 0.981 457 D HN 0.290 nan 8.370 nan 0.000 0.500 458 H N 0.971 119.952 119.070 -0.149 0.000 2.597 458 H HA 0.148 4.715 4.556 0.018 0.000 0.303 458 H C -1.450 173.700 175.328 -0.296 0.000 1.057 458 H CA -1.599 54.350 56.048 -0.165 0.000 1.261 458 H CB 1.770 31.478 29.762 -0.090 0.000 1.397 458 H HN -0.039 nan 8.280 nan 0.000 0.461 459 P HA -0.147 nan 4.420 nan 0.000 0.222 459 P C 1.357 178.121 177.300 -0.893 0.000 1.147 459 P CA 0.883 63.492 63.100 -0.818 0.000 0.790 459 P CB 0.313 31.065 31.700 -1.579 0.000 0.780 460 S N -1.120 114.235 115.700 -0.574 0.000 2.474 460 S HA -0.010 4.471 4.470 0.018 0.000 0.235 460 S C 0.989 175.604 174.600 0.025 0.000 0.997 460 S CA 0.079 58.181 58.200 -0.164 0.000 0.949 460 S CB -1.260 62.003 63.200 0.104 0.000 0.766 460 S HN -0.075 nan 8.310 nan 0.000 0.517 461 V N 3.743 123.662 119.914 0.008 0.000 2.470 461 V HA 0.244 4.375 4.120 0.018 0.000 0.276 461 V C 1.190 177.316 176.094 0.054 0.000 1.040 461 V CA -0.194 62.155 62.300 0.081 0.000 1.008 461 V CB 0.587 32.449 31.823 0.064 0.000 0.990 461 V HN 0.622 nan 8.190 nan 0.000 0.477 462 I N 2.150 122.790 120.570 0.116 0.000 4.018 462 I HA 0.436 4.617 4.170 0.018 0.000 0.337 462 I C 0.485 176.777 176.117 0.291 0.000 1.327 462 I CA 0.084 61.491 61.300 0.179 0.000 1.100 462 I CB 0.408 38.491 38.000 0.138 0.000 1.025 462 I HN 0.672 nan 8.210 nan 0.000 0.396 463 S N -0.081 115.766 115.700 0.246 0.000 2.712 463 S HA 0.414 4.895 4.470 0.018 0.000 0.279 463 S C -1.388 173.368 174.600 0.259 0.000 1.025 463 S CA -0.857 57.505 58.200 0.269 0.000 0.861 463 S CB 0.836 64.206 63.200 0.284 0.000 1.091 463 S HN 0.239 nan 8.310 nan 0.000 0.457 464 F N 1.762 121.747 119.950 0.057 0.000 2.508 464 F HA 0.567 5.105 4.527 0.018 0.000 0.325 464 F C 0.039 175.716 175.800 -0.205 0.000 1.090 464 F CA -0.398 57.508 58.000 -0.155 0.000 0.945 464 F CB 1.502 40.238 39.000 -0.440 0.000 1.156 464 F HN 0.781 nan 8.300 nan 0.000 0.463 465 H N 7.539 126.231 119.070 -0.630 0.000 2.640 465 H HA 0.258 4.824 4.556 0.018 0.000 0.297 465 H C 1.078 176.210 175.328 -0.326 0.000 1.073 465 H CA 0.118 55.937 56.048 -0.381 0.000 1.305 465 H CB 1.402 30.933 29.762 -0.386 0.000 1.404 465 H HN 0.787 nan 8.280 nan 0.000 0.459 466 I N 0.613 121.205 120.570 0.037 0.000 3.251 466 I HA 0.274 4.455 4.170 0.018 0.000 0.277 466 I C 0.842 177.151 176.117 0.321 0.000 1.268 466 I CA 0.133 61.534 61.300 0.168 0.000 1.449 466 I CB 0.502 38.646 38.000 0.239 0.000 1.083 466 I HN 0.298 nan 8.210 nan 0.000 0.464 467 G N -0.438 108.497 108.800 0.224 0.000 2.694 467 G HA2 0.489 4.460 3.960 0.018 0.000 0.290 467 G HA3 0.489 4.460 3.960 0.018 0.000 0.290 467 G C -0.574 174.442 174.900 0.193 0.000 1.386 467 G CA 0.173 45.422 45.100 0.248 0.000 0.872 467 G HN -0.015 nan 8.290 nan 0.000 0.475 468 S N -1.264 114.534 115.700 0.162 0.000 3.393 468 S HA 0.153 4.633 4.470 0.018 0.000 0.209 468 S C 1.163 175.794 174.600 0.052 0.000 0.897 468 S CA 0.995 59.241 58.200 0.075 0.000 0.825 468 S CB 0.044 63.284 63.200 0.067 0.000 0.898 468 S HN 0.415 nan 8.310 nan 0.000 0.615 469 D N 0.256 120.711 120.400 0.092 0.000 2.202 469 D HA 0.281 4.931 4.640 0.018 0.000 0.214 469 D C -0.303 175.920 176.300 -0.128 0.000 0.967 469 D CA 0.806 54.809 54.000 0.004 0.000 0.871 469 D CB 0.077 40.938 40.800 0.103 0.000 1.020 469 D HN 0.308 nan 8.370 nan 0.000 0.474 470 F N 0.650 120.631 119.950 0.051 0.000 2.436 470 F HA 0.577 5.115 4.527 0.018 0.000 0.340 470 F C 0.563 176.407 175.800 0.073 0.000 1.113 470 F CA -1.341 56.688 58.000 0.048 0.000 1.022 470 F CB 1.365 40.382 39.000 0.029 0.000 1.128 470 F HN -0.199 nan 8.300 nan 0.000 0.466 471 A N 5.222 128.157 122.820 0.192 0.000 2.386 471 A HA 0.525 4.856 4.320 0.018 0.000 0.248 471 A C -2.208 175.479 177.584 0.171 0.000 1.082 471 A CA -1.191 50.945 52.037 0.165 0.000 0.789 471 A CB -0.328 18.733 19.000 0.103 0.000 1.025 471 A HN 0.466 nan 8.150 nan 0.000 0.490 472 P HA 0.255 nan 4.420 nan 0.000 0.279 472 P C -0.859 176.461 177.300 0.033 0.000 1.282 472 P CA -0.317 62.837 63.100 0.089 0.000 0.788 472 P CB 0.381 32.169 31.700 0.147 0.000 1.139 473 D N -1.272 119.103 120.400 -0.043 0.000 2.447 473 D HA 0.117 4.767 4.640 0.018 0.000 0.265 473 D C 1.433 177.721 176.300 -0.019 0.000 1.250 473 D CA -0.526 53.455 54.000 -0.033 0.000 1.046 473 D CB 0.358 41.120 40.800 -0.064 0.000 1.095 473 D HN 0.315 nan 8.370 nan 0.000 0.555 474 R N -0.586 119.905 120.500 -0.014 0.000 2.081 474 R HA -0.137 4.214 4.340 0.018 0.000 0.235 474 R C 2.233 178.524 176.300 -0.016 0.000 1.131 474 R CA 1.136 57.232 56.100 -0.007 0.000 0.960 474 R CB -0.118 30.177 30.300 -0.008 0.000 0.856 474 R HN 0.515 nan 8.270 nan 0.000 0.436 475 R N 0.343 120.826 120.500 -0.028 0.000 2.073 475 R HA -0.109 4.242 4.340 0.018 0.000 0.234 475 R C 2.198 178.492 176.300 -0.010 0.000 1.134 475 R CA 1.989 58.073 56.100 -0.026 0.000 0.952 475 R CB -0.252 30.020 30.300 -0.046 0.000 0.850 475 R HN 0.304 nan 8.270 nan 0.000 0.433 476 I N 0.260 120.797 120.570 -0.054 0.000 2.353 476 I HA -0.188 3.993 4.170 0.018 0.000 0.248 476 I C 2.488 178.438 176.117 -0.279 0.000 1.119 476 I CA 1.176 62.348 61.300 -0.214 0.000 1.417 476 I CB -0.273 37.477 38.000 -0.417 0.000 1.078 476 I HN 0.353 nan 8.210 nan 0.000 0.421 477 E N 0.877 121.041 120.200 -0.061 0.000 2.072 477 E HA -0.316 4.045 4.350 0.018 0.000 0.191 477 E C 2.178 178.829 176.600 0.084 0.000 0.985 477 E CA 1.253 57.706 56.400 0.088 0.000 0.801 477 E CB 0.011 29.771 29.700 0.100 0.000 0.750 477 E HN 0.287 nan 8.360 nan 0.000 0.452 478 Q N 0.371 120.190 119.800 0.033 0.000 2.061 478 Q HA -0.109 4.241 4.340 0.018 0.000 0.204 478 Q C 2.063 178.092 176.000 0.049 0.000 0.984 478 Q CA 2.303 58.129 55.803 0.037 0.000 0.846 478 Q CB -1.000 27.746 28.738 0.013 0.000 0.902 478 Q HN 0.389 nan 8.270 nan 0.000 0.421 479 G N -1.028 107.781 108.800 0.015 0.000 2.440 479 G HA2 -0.273 3.697 3.960 0.018 0.000 0.218 479 G HA3 -0.273 3.697 3.960 0.018 0.000 0.218 479 G C 0.977 175.959 174.900 0.137 0.000 1.154 479 G CA 1.130 46.249 45.100 0.033 0.000 0.767 479 G HN 0.377 nan 8.290 nan 0.000 0.552 480 Y N 0.437 120.817 120.300 0.133 0.000 2.163 480 Y HA 0.117 4.677 4.550 0.018 0.000 0.288 480 Y C 2.826 178.759 175.900 0.056 0.000 1.136 480 Y CA 0.229 58.405 58.100 0.127 0.000 1.147 480 Y CB -0.858 37.718 38.460 0.192 0.000 0.987 480 Y HN 0.073 nan 8.280 nan 0.000 0.509 481 L N -0.417 120.938 121.223 0.220 0.000 2.083 481 L HA -0.218 4.133 4.340 0.018 0.000 0.209 481 L C 1.993 178.924 176.870 0.101 0.000 1.083 481 L CA 1.366 56.281 54.840 0.125 0.000 0.752 481 L CB -0.448 41.671 42.059 0.100 0.000 0.899 481 L HN 0.108 nan 8.230 nan 0.000 0.433 482 D N 0.033 120.494 120.400 0.101 0.000 2.117 482 D HA -0.139 4.512 4.640 0.018 0.000 0.198 482 D C 2.246 178.607 176.300 0.101 0.000 0.982 482 D CA 1.437 55.485 54.000 0.079 0.000 0.828 482 D CB -0.030 40.802 40.800 0.054 0.000 0.967 482 D HN 0.305 nan 8.370 nan 0.000 0.464 483 A N 0.571 123.475 122.820 0.139 0.000 1.902 483 A HA -0.168 4.163 4.320 0.018 0.000 0.217 483 A C 2.270 179.973 177.584 0.198 0.000 1.181 483 A CA 1.298 53.459 52.037 0.208 0.000 0.623 483 A CB -0.511 18.634 19.000 0.243 0.000 0.818 483 A HN 0.150 nan 8.150 nan 0.000 0.443 484 M N -0.919 118.728 119.600 0.078 0.000 2.086 484 M HA -0.161 4.330 4.480 0.018 0.000 0.261 484 M C 2.317 178.682 176.300 0.109 0.000 1.067 484 M CA 2.138 57.456 55.300 0.031 0.000 1.116 484 M CB -0.321 32.269 32.600 -0.016 0.000 1.348 484 M HN 0.488 nan 8.290 nan 0.000 0.407 485 K N 0.647 121.108 120.400 0.102 0.000 2.032 485 K HA -0.185 4.146 4.320 0.018 0.000 0.209 485 K C 1.912 178.579 176.600 0.111 0.000 1.048 485 K CA 1.742 58.084 56.287 0.093 0.000 0.927 485 K CB -0.203 32.340 32.500 0.070 0.000 0.712 485 K HN 0.288 nan 8.250 nan 0.000 0.441 486 A N 0.621 123.524 122.820 0.139 0.000 1.978 486 A HA -0.117 4.214 4.320 0.018 0.000 0.220 486 A C 2.133 179.901 177.584 0.306 0.000 1.170 486 A CA 1.979 54.123 52.037 0.178 0.000 0.636 486 A CB -0.616 18.450 19.000 0.110 0.000 0.810 486 A HN 0.510 nan 8.150 nan 0.000 0.448 487 A N -1.822 121.161 122.820 0.271 0.000 2.275 487 A HA 0.303 4.634 4.320 0.018 0.000 0.212 487 A C 0.478 178.000 177.584 -0.102 0.000 1.201 487 A CA 0.777 52.820 52.037 0.010 0.000 0.843 487 A CB -0.045 18.761 19.000 -0.323 0.000 0.873 487 A HN 0.407 nan 8.150 nan 0.000 0.492 488 D N -2.129 118.293 120.400 0.037 0.000 2.870 488 D HA -0.187 4.464 4.640 0.018 0.000 0.228 488 D C -0.327 175.981 176.300 0.013 0.000 1.147 488 D CA 0.713 54.739 54.000 0.044 0.000 0.757 488 D CB -1.805 39.062 40.800 0.112 0.000 1.091 488 D HN 0.503 nan 8.370 nan 0.000 0.429 489 F N 0.658 120.541 119.950 -0.112 0.000 2.502 489 F HA 0.190 4.728 4.527 0.018 0.000 0.371 489 F C 1.334 177.091 175.800 -0.073 0.000 1.083 489 F CA 0.098 58.024 58.000 -0.124 0.000 1.174 489 F CB 0.368 39.265 39.000 -0.172 0.000 1.096 489 F HN -0.022 nan 8.300 nan 0.000 0.545 490 L N 6.795 127.862 121.223 -0.260 0.000 2.959 490 L HA 0.263 4.614 4.340 0.018 0.000 0.259 490 L C -0.145 176.639 176.870 -0.144 0.000 1.185 490 L CA -0.155 54.612 54.840 -0.121 0.000 0.998 490 L CB -0.202 41.792 42.059 -0.109 0.000 1.337 490 L HN 0.453 nan 8.230 nan 0.000 0.555 491 L N 0.851 121.904 121.223 -0.284 0.000 2.418 491 L HA 0.298 4.649 4.340 0.018 0.000 0.265 491 L C -1.848 175.068 176.870 0.076 0.000 1.143 491 L CA -1.872 52.880 54.840 -0.147 0.000 0.809 491 L CB 0.122 42.006 42.059 -0.292 0.000 1.124 491 L HN -0.185 nan 8.230 nan 0.000 0.456 492 P HA -0.033 nan 4.420 nan 0.000 0.263 492 P C -0.928 176.414 177.300 0.070 0.000 1.175 492 P CA 0.097 63.214 63.100 0.028 0.000 0.761 492 P CB 0.392 32.069 31.700 -0.038 0.000 0.794 493 V N 5.450 125.377 119.914 0.021 0.000 2.384 493 V HA 0.301 4.432 4.120 0.018 0.000 0.287 493 V C 0.180 176.214 176.094 -0.101 0.000 1.020 493 V CA -0.516 61.787 62.300 0.004 0.000 0.850 493 V CB 1.263 33.109 31.823 0.038 0.000 0.987 493 V HN 0.337 nan 8.190 nan 0.000 0.436 494 I N 7.721 128.151 120.570 -0.233 0.000 2.339 494 I HA 0.362 4.543 4.170 0.018 0.000 0.290 494 I C -1.418 174.546 176.117 -0.255 0.000 0.994 494 I CA -2.568 58.505 61.300 -0.378 0.000 1.191 494 I CB 1.628 39.127 38.000 -0.836 0.000 1.343 494 I HN 0.360 nan 8.210 nan 0.000 0.458 495 P HA -0.034 nan 4.420 nan 0.000 0.218 495 P C 0.278 177.607 177.300 0.049 0.000 1.149 495 P CA 1.177 64.277 63.100 0.001 0.000 0.817 495 P CB 0.762 32.468 31.700 0.009 0.000 0.785 496 A N -1.991 120.852 122.820 0.038 0.000 2.586 496 A HA 0.636 4.967 4.320 0.018 0.000 0.291 496 A C 0.313 178.002 177.584 0.175 0.000 1.062 496 A CA 0.031 52.139 52.037 0.119 0.000 0.666 496 A CB 0.320 19.353 19.000 0.056 0.000 1.281 496 A HN -0.070 nan 8.150 nan 0.000 0.421 497 A N 0.119 123.034 122.820 0.158 0.000 2.195 497 A HA 0.444 4.775 4.320 0.018 0.000 0.210 497 A C 1.495 179.090 177.584 0.018 0.000 1.165 497 A CA 1.481 53.567 52.037 0.082 0.000 0.806 497 A CB -0.676 18.246 19.000 -0.130 0.000 0.847 497 A HN 1.904 nan 8.150 nan 0.000 0.482 498 S N -0.761 114.935 115.700 -0.007 0.000 2.397 498 S HA 0.590 5.070 4.470 0.018 0.000 0.261 498 S C 1.211 175.803 174.600 -0.014 0.000 1.187 498 S CA 0.165 58.343 58.200 -0.036 0.000 1.023 498 S CB 0.594 63.728 63.200 -0.110 0.000 1.103 498 S HN 0.788 nan 8.310 nan 0.000 0.474 499 A N -0.511 122.292 122.820 -0.028 0.000 2.303 499 A HA 0.333 4.664 4.320 0.018 0.000 0.217 499 A C 0.879 178.455 177.584 -0.012 0.000 1.205 499 A CA -0.466 51.572 52.037 0.002 0.000 0.875 499 A CB -0.325 18.691 19.000 0.026 0.000 0.910 499 A HN 0.655 nan 8.150 nan 0.000 0.501 500 R N 1.472 121.942 120.500 -0.051 0.000 2.449 500 R HA 0.238 4.588 4.340 0.018 0.000 0.296 500 R C -2.546 173.751 176.300 -0.004 0.000 1.047 500 R CA -1.176 54.897 56.100 -0.045 0.000 1.018 500 R CB 0.123 30.358 30.300 -0.107 0.000 0.962 500 R HN 0.270 nan 8.270 nan 0.000 0.428 501 P HA 0.087 nan 4.420 nan 0.000 0.282 501 P C -0.774 176.546 177.300 0.033 0.000 1.259 501 P CA -0.654 62.457 63.100 0.019 0.000 0.826 501 P CB 1.428 33.138 31.700 0.017 0.000 1.064 502 S N 0.827 116.549 115.700 0.036 0.000 2.585 502 S HA 0.399 4.880 4.470 0.018 0.000 0.277 502 S C -1.823 172.799 174.600 0.036 0.000 1.241 502 S CA -1.295 56.934 58.200 0.048 0.000 1.041 502 S CB 0.563 63.801 63.200 0.063 0.000 0.987 502 S HN 0.191 nan 8.310 nan 0.000 0.512 503 P HA -0.144 nan 4.420 nan 0.000 0.217 503 P C 1.008 178.322 177.300 0.023 0.000 1.158 503 P CA 1.513 64.628 63.100 0.025 0.000 0.887 503 P CB -0.014 31.698 31.700 0.021 0.000 0.792 504 I N -2.734 117.854 120.570 0.030 0.000 2.729 504 I HA -0.053 4.128 4.170 0.018 0.000 0.256 504 I C 1.728 177.860 176.117 0.025 0.000 1.115 504 I CA 1.140 62.456 61.300 0.027 0.000 1.446 504 I CB -0.848 37.172 38.000 0.033 0.000 1.176 504 I HN -0.141 nan 8.210 nan 0.000 0.446 505 T N 0.432 115.003 114.554 0.029 0.000 3.067 505 T HA 0.267 4.628 4.350 0.018 0.000 0.261 505 T C 1.197 175.902 174.700 0.007 0.000 1.110 505 T CA 0.710 62.821 62.100 0.017 0.000 1.113 505 T CB -0.080 68.798 68.868 0.017 0.000 0.917 505 T HN 0.620 nan 8.240 nan 0.000 0.499 506 G N 1.735 110.543 108.800 0.013 0.000 2.514 506 G HA2 -0.029 3.942 3.960 0.018 0.000 0.265 506 G HA3 -0.029 3.942 3.960 0.018 0.000 0.265 506 G C 0.197 175.100 174.900 0.006 0.000 1.150 506 G CA -0.332 44.773 45.100 0.010 0.000 0.959 506 G HN 0.916 nan 8.290 nan 0.000 0.556 507 A N -0.023 122.798 122.820 0.003 0.000 2.445 507 A HA 0.625 4.955 4.320 0.018 0.000 0.242 507 A C 1.736 179.313 177.584 -0.013 0.000 1.075 507 A CA 1.516 53.555 52.037 0.003 0.000 0.777 507 A CB 0.523 19.529 19.000 0.009 0.000 1.013 507 A HN 2.336 nan 8.150 nan 0.000 0.493 508 S N 1.768 117.461 115.700 -0.011 0.000 2.404 508 S HA 0.354 4.835 4.470 0.018 0.000 0.223 508 S C 1.443 176.020 174.600 -0.038 0.000 1.040 508 S CA 1.092 59.270 58.200 -0.037 0.000 0.957 508 S CB -0.457 62.731 63.200 -0.019 0.000 0.826 508 S HN 2.624 nan 8.310 nan 0.000 0.491 509 G N 1.371 110.178 108.800 0.013 0.000 2.137 509 G HA2 -0.195 3.776 3.960 0.018 0.000 0.237 509 G HA3 -0.195 3.776 3.960 0.018 0.000 0.237 509 G C -0.100 174.859 174.900 0.098 0.000 1.002 509 G CA 0.576 45.708 45.100 0.053 0.000 0.702 509 G HN 0.529 nan 8.290 nan 0.000 0.515 510 M N -1.031 118.614 119.600 0.076 0.000 2.719 510 M HA 0.666 5.156 4.480 0.018 0.000 0.291 510 M C -0.151 176.203 176.300 0.089 0.000 1.264 510 M CA -0.909 54.462 55.300 0.119 0.000 0.811 510 M CB 2.537 35.159 32.600 0.036 0.000 1.756 510 M HN 0.311 nan 8.290 nan 0.000 0.464 511 K N 0.547 120.990 120.400 0.073 0.000 2.527 511 K HA 0.687 5.018 4.320 0.018 0.000 0.260 511 K C -1.556 175.028 176.600 -0.027 0.000 0.937 511 K CA -0.764 55.522 56.287 -0.002 0.000 0.826 511 K CB 2.647 35.097 32.500 -0.084 0.000 1.359 511 K HN 0.791 nan 8.250 nan 0.000 0.434 512 M N 3.673 123.258 119.600 -0.024 0.000 2.720 512 M HA 0.285 4.776 4.480 0.018 0.000 0.250 512 M C -0.912 175.419 176.300 0.051 0.000 1.280 512 M CA -0.359 54.937 55.300 -0.007 0.000 0.579 512 M CB 0.525 33.120 32.600 -0.007 0.000 1.469 512 M HN 0.679 nan 8.290 nan 0.000 0.416 513 N N 1.107 119.814 118.700 0.012 0.000 2.322 513 N HA 0.253 5.004 4.740 0.018 0.000 0.194 513 N C 0.698 176.260 175.510 0.087 0.000 1.126 513 N CA 0.891 53.985 53.050 0.074 0.000 0.845 513 N CB 0.783 39.295 38.487 0.042 0.000 0.976 513 N HN 0.811 nan 8.380 nan 0.000 0.475 514 G N 1.573 110.332 108.800 -0.067 0.000 2.782 514 G HA2 -0.207 3.764 3.960 0.018 0.000 0.228 514 G HA3 -0.207 3.764 3.960 0.018 0.000 0.228 514 G C -3.022 171.695 174.900 -0.303 0.000 1.372 514 G CA -0.818 44.043 45.100 -0.398 0.000 0.862 514 G HN 0.108 nan 8.290 nan 0.000 0.547 515 P HA 0.569 nan 4.420 nan 0.000 0.280 515 P C -0.720 176.201 177.300 -0.632 0.000 1.272 515 P CA -0.288 62.558 63.100 -0.423 0.000 0.819 515 P CB 0.738 32.170 31.700 -0.445 0.000 1.122 516 Y N -2.062 118.330 120.300 0.154 0.000 2.672 516 Y HA 0.381 4.942 4.550 0.017 0.000 0.252 516 Y C 0.442 176.614 175.900 0.453 0.000 1.132 516 Y CA -0.157 58.041 58.100 0.163 0.000 1.228 516 Y CB 0.710 39.217 38.460 0.078 0.000 1.310 516 Y HN 0.217 nan 8.280 nan 0.000 0.549 517 D N -1.802 118.898 120.400 0.500 0.000 2.752 517 D HA 0.118 4.769 4.640 0.018 0.000 0.313 517 D C -1.264 175.235 176.300 0.332 0.000 1.225 517 D CA -0.919 53.383 54.000 0.504 0.000 0.976 517 D CB 1.377 42.532 40.800 0.592 0.000 1.443 517 D HN -0.159 nan 8.370 nan 0.000 0.515 518 Y N 1.056 121.519 120.300 0.272 0.000 2.717 518 Y HA 0.261 4.824 4.550 0.022 0.000 0.330 518 Y C 0.056 176.011 175.900 0.090 0.000 1.217 518 Y CA 0.678 58.915 58.100 0.228 0.000 1.506 518 Y CB 0.151 38.773 38.460 0.271 0.000 1.268 518 Y HN 0.103 nan 8.280 nan 0.000 0.561 519 V N 5.093 124.503 119.914 -0.839 0.000 3.049 519 V HA 0.681 4.812 4.120 0.018 0.000 0.309 519 V C -2.872 172.621 176.094 -1.002 0.000 1.148 519 V CA -2.728 59.090 62.300 -0.802 0.000 0.990 519 V CB 1.933 33.043 31.823 -1.188 0.000 1.039 519 V HN 0.648 nan 8.190 nan 0.000 0.430 520 P HA 0.273 nan 4.420 nan 0.000 0.269 520 P C -2.368 174.837 177.300 -0.157 0.000 1.215 520 P CA -1.268 61.724 63.100 -0.180 0.000 0.780 520 P CB 0.342 31.991 31.700 -0.085 0.000 0.898 521 P HA -0.171 nan 4.420 nan 0.000 0.217 521 P C 1.625 179.049 177.300 0.206 0.000 1.151 521 P CA 0.997 64.164 63.100 0.112 0.000 0.849 521 P CB -0.110 31.449 31.700 -0.235 0.000 0.787 522 V N -1.796 118.168 119.914 0.084 0.000 2.970 522 V HA -0.212 3.918 4.120 0.018 0.000 0.260 522 V C 2.075 178.318 176.094 0.247 0.000 1.100 522 V CA 1.063 63.501 62.300 0.231 0.000 1.122 522 V CB -1.230 30.662 31.823 0.114 0.000 0.721 522 V HN 0.062 nan 8.190 nan 0.000 0.483 523 Y N 0.056 120.291 120.300 -0.107 0.000 2.081 523 Y HA -0.318 4.243 4.550 0.018 0.000 0.280 523 Y C 1.960 177.802 175.900 -0.097 0.000 1.163 523 Y CA 2.493 60.459 58.100 -0.223 0.000 1.135 523 Y CB -0.420 37.661 38.460 -0.631 0.000 0.970 523 Y HN 0.420 nan 8.280 nan 0.000 0.498 524 W N -1.417 120.100 121.300 0.363 0.000 2.389 524 W HA -0.238 4.431 4.660 0.016 0.000 0.267 524 W C 1.427 177.909 176.519 -0.062 0.000 1.219 524 W CA 0.940 58.373 57.345 0.146 0.000 1.189 524 W CB -0.612 28.876 29.460 0.047 0.000 1.129 524 W HN 0.168 nan 8.180 nan 0.000 0.581 525 Y N -0.620 119.830 120.300 0.251 0.000 2.482 525 Y HA 0.049 4.609 4.550 0.017 0.000 0.270 525 Y C 0.714 176.672 175.900 0.097 0.000 1.152 525 Y CA 0.059 58.255 58.100 0.161 0.000 1.292 525 Y CB -0.278 38.273 38.460 0.153 0.000 1.070 525 Y HN -0.244 nan 8.280 nan 0.000 0.528 526 D N 0.694 121.204 120.400 0.184 0.000 2.351 526 D HA 0.082 4.733 4.640 0.018 0.000 0.251 526 D C 0.260 176.622 176.300 0.104 0.000 1.137 526 D CA 0.166 54.218 54.000 0.087 0.000 0.879 526 D CB 0.706 41.515 40.800 0.016 0.000 1.181 526 D HN 0.118 nan 8.370 nan 0.000 0.448 527 K N 1.652 122.057 120.400 0.009 0.000 2.438 527 K HA 0.064 4.394 4.320 0.018 0.000 0.205 527 K C 1.066 177.460 176.600 -0.343 0.000 1.033 527 K CA -0.011 56.206 56.287 -0.116 0.000 1.089 527 K CB 0.629 33.048 32.500 -0.136 0.000 0.857 527 K HN 0.387 nan 8.250 nan 0.000 0.522 528 S N 0.026 115.547 115.700 -0.299 0.000 2.517 528 S HA 0.061 4.542 4.470 0.018 0.000 0.214 528 S C 0.616 174.956 174.600 -0.434 0.000 0.991 528 S CA -0.160 57.822 58.200 -0.364 0.000 0.906 528 S CB 0.207 63.208 63.200 -0.332 0.000 0.789 528 S HN 0.050 nan 8.310 nan 0.000 0.513 529 Q N 2.191 121.724 119.800 -0.444 0.000 2.466 529 Q HA 0.260 4.611 4.340 0.018 0.000 0.242 529 Q C 0.448 176.411 176.000 -0.062 0.000 1.046 529 Q CA -0.263 55.304 55.803 -0.393 0.000 0.841 529 Q CB 1.483 29.802 28.738 -0.699 0.000 1.193 529 Q HN 0.644 nan 8.270 nan 0.000 0.508 530 K N 0.143 120.479 120.400 -0.106 0.000 2.442 530 K HA -0.085 4.246 4.320 0.018 0.000 0.198 530 K C -0.319 176.455 176.600 0.290 0.000 1.042 530 K CA 0.849 57.150 56.287 0.023 0.000 0.958 530 K CB 0.430 32.844 32.500 -0.143 0.000 0.766 530 K HN 0.203 nan 8.250 nan 0.000 0.474 531 D N 0.693 121.194 120.400 0.168 0.000 2.424 531 D HA 0.121 4.772 4.640 0.018 0.000 0.220 531 D C 0.203 176.593 176.300 0.150 0.000 1.150 531 D CA 0.003 54.096 54.000 0.154 0.000 0.831 531 D CB 0.455 41.313 40.800 0.097 0.000 0.981 531 D HN 0.037 nan 8.370 nan 0.000 0.500 532 R N -0.485 120.117 120.500 0.170 0.000 2.939 532 R HA 0.573 4.923 4.340 0.018 0.000 0.254 532 R C 0.925 177.223 176.300 -0.003 0.000 1.123 532 R CA -0.915 55.254 56.100 0.116 0.000 1.020 532 R CB 0.276 30.635 30.300 0.098 0.000 1.206 532 R HN -0.085 nan 8.270 nan 0.000 0.491 533 G N -0.061 108.782 108.800 0.071 0.000 3.474 533 G HA2 0.205 4.176 3.960 0.018 0.000 0.269 533 G HA3 0.205 4.176 3.960 0.018 0.000 0.269 533 G C 0.455 175.399 174.900 0.074 0.000 1.339 533 G CA -0.039 45.097 45.100 0.059 0.000 1.258 533 G HN 0.537 nan 8.290 nan 0.000 0.560 534 G N -0.531 108.170 108.800 -0.164 0.000 2.636 534 G HA2 0.449 4.420 3.960 0.018 0.000 0.246 534 G HA3 0.449 4.420 3.960 0.018 0.000 0.246 534 G C 0.556 175.282 174.900 -0.289 0.000 1.216 534 G CA 0.100 45.144 45.100 -0.094 0.000 0.854 534 G HN 0.587 nan 8.290 nan 0.000 0.572 535 A N 2.340 125.030 122.820 -0.216 0.000 2.981 535 A HA 0.507 4.838 4.320 0.018 0.000 0.280 535 A C -0.073 177.385 177.584 -0.210 0.000 1.797 535 A CA -0.368 51.253 52.037 -0.692 0.000 1.456 535 A CB -0.993 17.497 19.000 -0.850 0.000 1.057 535 A HN 0.818 nan 8.150 nan 0.000 0.602 536 W N -0.265 120.935 121.300 -0.166 0.000 3.146 536 W HA 0.594 5.264 4.660 0.018 0.000 0.319 536 W C -0.024 176.510 176.519 0.026 0.000 1.258 536 W CA -0.172 57.138 57.345 -0.057 0.000 1.189 536 W CB 0.049 29.478 29.460 -0.052 0.000 1.412 536 W HN 0.983 nan 8.180 nan 0.000 0.567 537 S N 0.317 116.225 115.700 0.347 0.000 3.368 537 S HA -0.300 4.180 4.470 0.018 0.000 0.632 537 S C -0.929 173.776 174.600 0.174 0.000 2.690 537 S CA 0.968 59.327 58.200 0.265 0.000 3.124 537 S CB -1.352 62.003 63.200 0.258 0.000 0.317 537 S HN 0.861 nan 8.310 nan 0.000 1.617 538 F N 2.642 122.621 119.950 0.048 0.000 2.325 538 F HA 0.481 5.018 4.527 0.018 0.000 0.369 538 F C 0.119 175.903 175.800 -0.027 0.000 1.095 538 F CA -0.746 57.285 58.000 0.052 0.000 1.082 538 F CB 0.636 39.698 39.000 0.104 0.000 1.289 538 F HN 0.464 nan 8.300 nan 0.000 0.462 539 N N 2.957 121.608 118.700 -0.083 0.000 2.466 539 N HA -0.014 4.737 4.740 0.018 0.000 0.263 539 N C 0.931 176.416 175.510 -0.043 0.000 1.178 539 N CA 0.182 53.174 53.050 -0.096 0.000 0.983 539 N CB 0.888 39.272 38.487 -0.172 0.000 1.331 539 N HN 0.633 nan 8.380 nan 0.000 0.500 540 S N 0.767 116.542 115.700 0.126 0.000 2.527 540 S HA 0.226 4.707 4.470 0.018 0.000 0.222 540 S C 0.630 175.172 174.600 -0.098 0.000 0.985 540 S CA -0.074 58.225 58.200 0.165 0.000 0.921 540 S CB 0.437 63.717 63.200 0.133 0.000 0.772 540 S HN 0.466 nan 8.310 nan 0.000 0.529 541 A N 0.255 122.929 122.820 -0.243 0.000 2.480 541 A HA 0.598 4.928 4.320 0.018 0.000 0.302 541 A C -0.439 176.890 177.584 -0.425 0.000 1.151 541 A CA -0.268 51.456 52.037 -0.523 0.000 0.907 541 A CB 0.581 18.871 19.000 -1.184 0.000 1.487 541 A HN 0.181 nan 8.150 nan 0.000 0.396 542 T N 0.608 114.958 114.554 -0.339 0.000 2.982 542 T HA 0.846 5.207 4.350 0.018 0.000 0.321 542 T C -0.441 174.041 174.700 -0.363 0.000 1.229 542 T CA 0.516 62.393 62.100 -0.371 0.000 1.044 542 T CB 1.435 70.186 68.868 -0.195 0.000 1.184 542 T HN 2.150 nan 8.240 nan 0.000 0.477 543 S N 1.845 117.400 115.700 -0.242 0.000 2.757 543 S HA 0.767 5.248 4.470 0.018 0.000 0.285 543 S C -0.063 174.651 174.600 0.190 0.000 1.196 543 S CA -0.164 57.894 58.200 -0.236 0.000 0.856 543 S CB 0.984 63.792 63.200 -0.653 0.000 1.212 543 S HN 1.259 nan 8.310 nan 0.000 0.516 544 A N -0.168 122.833 122.820 0.301 0.000 2.545 544 A HA 0.763 5.094 4.320 0.018 0.000 0.277 544 A C 1.383 179.212 177.584 0.409 0.000 1.301 544 A CA 0.622 52.854 52.037 0.324 0.000 0.935 544 A CB -1.326 17.865 19.000 0.318 0.000 1.093 544 A HN 2.493 nan 8.150 nan 0.000 0.519 545 G N -0.641 108.425 108.800 0.443 0.000 2.728 545 G HA2 -0.228 3.742 3.960 0.018 0.000 0.269 545 G HA3 -0.228 3.742 3.960 0.018 0.000 0.269 545 G C 0.257 175.349 174.900 0.320 0.000 1.334 545 G CA -0.171 45.231 45.100 0.503 0.000 0.974 545 G HN 0.924 nan 8.290 nan 0.000 0.550 546 V N 2.715 122.730 119.914 0.168 0.000 2.617 546 V HA 0.338 4.469 4.120 0.018 0.000 0.304 546 V C -0.201 175.807 176.094 -0.144 0.000 1.040 546 V CA 1.270 63.470 62.300 -0.166 0.000 1.149 546 V CB 1.209 32.611 31.823 -0.701 0.000 0.914 546 V HN 0.557 nan 8.190 nan 0.000 0.487 547 D N 4.557 124.900 120.400 -0.094 0.000 2.443 547 D HA 0.270 4.921 4.640 0.018 0.000 0.281 547 D C -0.107 176.147 176.300 -0.078 0.000 1.210 547 D CA -0.465 53.523 54.000 -0.019 0.000 0.875 547 D CB 0.928 41.784 40.800 0.095 0.000 1.125 547 D HN 0.241 nan 8.370 nan 0.000 0.503 548 I N 3.599 124.080 120.570 -0.149 0.000 2.845 548 I HA -0.030 4.151 4.170 0.018 0.000 0.290 548 I C -1.668 174.431 176.117 -0.029 0.000 1.202 548 I CA -0.928 60.320 61.300 -0.087 0.000 1.406 548 I CB -0.483 37.476 38.000 -0.069 0.000 1.383 548 I HN -0.009 nan 8.210 nan 0.000 0.549 549 P HA 0.098 nan 4.420 nan 0.000 0.275 549 P C 0.023 177.328 177.300 0.007 0.000 1.266 549 P CA -0.311 62.780 63.100 -0.014 0.000 0.793 549 P CB 0.241 31.921 31.700 -0.034 0.000 1.074 550 T N -2.460 112.102 114.554 0.013 0.000 2.802 550 T HA 0.055 4.416 4.350 0.018 0.000 0.305 550 T C 1.392 176.107 174.700 0.024 0.000 1.053 550 T CA -0.218 61.895 62.100 0.021 0.000 1.058 550 T CB -0.008 68.869 68.868 0.015 0.000 0.988 550 T HN 0.243 nan 8.240 nan 0.000 0.539 551 M N 1.091 120.703 119.600 0.020 0.000 2.080 551 M HA -0.054 4.436 4.480 0.018 0.000 0.260 551 M C 1.551 177.860 176.300 0.015 0.000 1.068 551 M CA 2.058 57.368 55.300 0.016 0.000 1.109 551 M CB -1.204 31.397 32.600 0.002 0.000 1.342 551 M HN 0.844 nan 8.290 nan 0.000 0.405 552 D N -1.193 119.212 120.400 0.009 0.000 2.190 552 D HA -0.180 4.471 4.640 0.018 0.000 0.200 552 D C 1.730 178.040 176.300 0.017 0.000 0.992 552 D CA 1.920 55.920 54.000 -0.000 0.000 0.854 552 D CB -0.302 40.492 40.800 -0.010 0.000 0.936 552 D HN 0.418 nan 8.370 nan 0.000 0.462 553 T N -0.011 114.579 114.554 0.059 0.000 2.770 553 T HA 0.025 4.385 4.350 0.018 0.000 0.258 553 T C 2.013 176.770 174.700 0.094 0.000 1.039 553 T CA 0.317 62.501 62.100 0.140 0.000 1.143 553 T CB -0.257 68.712 68.868 0.168 0.000 0.866 553 T HN 0.072 nan 8.240 nan 0.000 0.428 554 L N 0.759 122.004 121.223 0.036 0.000 2.051 554 L HA -0.196 4.154 4.340 0.018 0.000 0.214 554 L C 2.574 179.458 176.870 0.022 0.000 1.076 554 L CA 1.569 56.410 54.840 0.002 0.000 0.758 554 L CB -0.475 41.592 42.059 0.013 0.000 0.890 554 L HN 0.221 nan 8.230 nan 0.000 0.433 555 K N -0.393 120.033 120.400 0.043 0.000 2.147 555 K HA -0.132 4.199 4.320 0.018 0.000 0.205 555 K C 2.163 178.832 176.600 0.115 0.000 1.049 555 K CA 1.084 57.408 56.287 0.062 0.000 0.936 555 K CB -0.059 32.459 32.500 0.031 0.000 0.722 555 K HN 0.316 nan 8.250 nan 0.000 0.446 556 R N 0.349 120.914 120.500 0.109 0.000 2.200 556 R HA 0.034 4.384 4.340 0.018 0.000 0.208 556 R C 2.191 178.698 176.300 0.345 0.000 1.033 556 R CA 1.040 57.237 56.100 0.162 0.000 1.000 556 R CB 0.006 30.338 30.300 0.053 0.000 0.906 556 R HN 0.326 nan 8.270 nan 0.000 0.462 557 M N -2.077 117.626 119.600 0.170 0.000 2.421 557 M HA 0.346 4.836 4.480 0.018 0.000 0.258 557 M C 0.119 176.193 176.300 -0.378 0.000 1.122 557 M CA 0.720 55.962 55.300 -0.096 0.000 1.078 557 M CB 0.860 33.248 32.600 -0.353 0.000 1.380 557 M HN -0.155 nan 8.290 nan 0.000 0.499 558 M N 1.679 121.146 119.600 -0.222 0.000 2.378 558 M HA 0.381 4.871 4.480 0.018 0.000 0.289 558 M C -0.373 175.857 176.300 -0.115 0.000 1.136 558 M CA -0.717 54.400 55.300 -0.306 0.000 0.917 558 M CB 2.735 35.214 32.600 -0.202 0.000 1.669 558 M HN 0.270 nan 8.290 nan 0.000 0.461 559 S N 1.336 116.939 115.700 -0.162 0.000 2.589 559 S HA 0.423 4.904 4.470 0.018 0.000 0.265 559 S C 1.184 175.808 174.600 0.040 0.000 1.342 559 S CA -0.007 58.227 58.200 0.056 0.000 1.005 559 S CB 1.110 64.340 63.200 0.050 0.000 0.909 559 S HN 0.816 nan 8.310 nan 0.000 0.555 560 A N 1.738 124.598 122.820 0.068 0.000 1.917 560 A HA -0.102 4.228 4.320 0.018 0.000 0.219 560 A C 2.562 180.171 177.584 0.042 0.000 1.182 560 A CA 2.309 54.379 52.037 0.055 0.000 0.633 560 A CB -1.736 17.297 19.000 0.055 0.000 0.819 560 A HN 1.402 nan 8.150 nan 0.000 0.448 561 S N -0.230 115.484 115.700 0.024 0.000 2.383 561 S HA -0.186 4.295 4.470 0.018 0.000 0.227 561 S C 1.700 176.288 174.600 -0.020 0.000 1.026 561 S CA 1.420 59.621 58.200 0.003 0.000 0.981 561 S CB -0.497 62.701 63.200 -0.004 0.000 0.818 561 S HN 0.663 nan 8.310 nan 0.000 0.472 562 E N 1.148 121.330 120.200 -0.029 0.000 2.077 562 E HA -0.048 4.313 4.350 0.018 0.000 0.193 562 E C 2.125 178.705 176.600 -0.034 0.000 0.989 562 E CA 1.430 57.801 56.400 -0.048 0.000 0.800 562 E CB -0.379 29.277 29.700 -0.074 0.000 0.746 562 E HN 0.527 nan 8.360 nan 0.000 0.452 563 L N 0.797 122.021 121.223 0.002 0.000 2.093 563 L HA -0.179 4.172 4.340 0.018 0.000 0.208 563 L C 2.275 179.222 176.870 0.128 0.000 1.085 563 L CA 1.026 55.899 54.840 0.055 0.000 0.755 563 L CB -0.297 41.806 42.059 0.072 0.000 0.904 563 L HN 0.106 nan 8.230 nan 0.000 0.435 564 D N -0.252 120.212 120.400 0.106 0.000 2.087 564 D HA -0.200 4.451 4.640 0.018 0.000 0.192 564 D C 2.061 178.209 176.300 -0.253 0.000 0.993 564 D CA 1.870 55.923 54.000 0.090 0.000 0.828 564 D CB 0.046 40.874 40.800 0.046 0.000 0.968 564 D HN 0.068 nan 8.370 nan 0.000 0.448 565 T N 0.145 114.579 114.554 -0.199 0.000 2.737 565 T HA -0.224 4.137 4.350 0.018 0.000 0.269 565 T C 1.910 176.438 174.700 -0.287 0.000 1.040 565 T CA 1.353 63.300 62.100 -0.254 0.000 1.142 565 T CB -0.371 68.407 68.868 -0.149 0.000 0.861 565 T HN 0.227 nan 8.240 nan 0.000 0.456 566 M N 0.587 120.070 119.600 -0.196 0.000 2.088 566 M HA -0.151 4.340 4.480 0.018 0.000 0.256 566 M C 2.341 178.375 176.300 -0.444 0.000 1.071 566 M CA 2.154 57.331 55.300 -0.205 0.000 1.097 566 M CB -0.279 32.270 32.600 -0.085 0.000 1.315 566 M HN 0.627 nan 8.290 nan 0.000 0.406 567 W N 0.394 121.300 121.300 -0.658 0.000 2.494 567 W HA -0.027 4.629 4.660 -0.007 0.000 0.286 567 W C 1.496 177.733 176.519 -0.470 0.000 1.218 567 W CA 0.563 57.297 57.345 -1.019 0.000 1.313 567 W CB -1.025 27.987 29.460 -0.747 0.000 1.105 567 W HN 0.171 nan 8.180 nan 0.000 0.561 568 K N 0.696 120.415 120.400 -1.136 0.000 2.097 568 K HA -0.168 4.163 4.320 0.018 0.000 0.205 568 K C 0.568 176.895 176.600 -0.456 0.000 1.050 568 K CA 1.327 57.028 56.287 -0.976 0.000 0.938 568 K CB -0.278 31.582 32.500 -1.065 0.000 0.718 568 K HN -0.057 nan 8.250 nan 0.000 0.442 569 N N -0.125 118.355 118.700 -0.367 0.000 2.733 569 N HA 0.168 4.918 4.740 0.018 0.000 0.271 569 N C -2.548 172.879 175.510 -0.137 0.000 1.720 569 N CA -1.918 51.008 53.050 -0.207 0.000 0.803 569 N CB 1.102 39.477 38.487 -0.186 0.000 1.208 569 N HN -0.233 nan 8.380 nan 0.000 0.498 570 P HA -0.061 nan 4.420 nan 0.000 0.222 570 P C 0.828 178.144 177.300 0.027 0.000 1.142 570 P CA 1.014 64.123 63.100 0.014 0.000 0.788 570 P CB 0.376 32.164 31.700 0.147 0.000 0.767 571 S N -1.125 114.575 115.700 -0.001 0.000 2.481 571 S HA 0.094 4.575 4.470 0.018 0.000 0.231 571 S C 1.137 175.732 174.600 -0.009 0.000 0.996 571 S CA 0.345 58.547 58.200 0.004 0.000 0.942 571 S CB -0.545 62.653 63.200 -0.004 0.000 0.768 571 S HN 0.182 nan 8.310 nan 0.000 0.520 572 A N 1.755 124.558 122.820 -0.029 0.000 2.371 572 A HA 0.335 4.666 4.320 0.018 0.000 0.257 572 A C 0.269 177.842 177.584 -0.018 0.000 1.089 572 A CA -0.374 51.645 52.037 -0.031 0.000 0.794 572 A CB 0.212 19.180 19.000 -0.053 0.000 1.029 572 A HN 0.297 nan 8.150 nan 0.000 0.488 573 K N 1.299 121.694 120.400 -0.009 0.000 2.489 573 K HA 0.071 4.401 4.320 0.018 0.000 0.278 573 K C -0.401 176.204 176.600 0.008 0.000 1.000 573 K CA 0.431 56.720 56.287 0.004 0.000 1.012 573 K CB 0.221 32.732 32.500 0.018 0.000 0.903 573 K HN 0.583 nan 8.250 nan 0.000 0.485 574 Q N 2.404 122.208 119.800 0.007 0.000 2.331 574 Q HA 0.058 4.409 4.340 0.018 0.000 0.267 574 Q C 0.111 176.147 176.000 0.061 0.000 1.006 574 Q CA -0.306 55.509 55.803 0.020 0.000 0.818 574 Q CB 1.254 29.976 28.738 -0.027 0.000 1.276 574 Q HN 0.611 nan 8.270 nan 0.000 0.450 575 Y N 2.642 122.928 120.300 -0.023 0.000 2.274 575 Y HA -0.162 4.398 4.550 0.017 0.000 0.290 575 Y C 1.160 177.022 175.900 -0.063 0.000 1.145 575 Y CA 1.842 59.929 58.100 -0.021 0.000 1.203 575 Y CB 0.451 38.907 38.460 -0.005 0.000 0.984 575 Y HN 0.652 nan 8.280 nan 0.000 0.533 576 H N -0.291 118.690 119.070 -0.147 0.000 2.610 576 H HA 0.168 4.735 4.556 0.018 0.000 0.302 576 H C 1.325 176.459 175.328 -0.323 0.000 1.063 576 H CA 0.103 55.931 56.048 -0.368 0.000 1.159 576 H CB 0.387 29.797 29.762 -0.586 0.000 1.427 576 H HN 0.334 nan 8.280 nan 0.000 0.553 577 R N 0.031 120.387 120.500 -0.240 0.000 1.756 577 R HA 0.178 4.529 4.340 0.018 0.000 0.130 577 R C 0.058 176.073 176.300 -0.475 0.000 2.102 577 R CA -0.008 55.780 56.100 -0.521 0.000 1.775 577 R CB 0.426 30.443 30.300 -0.472 0.000 1.379 577 R HN 0.036 nan 8.270 nan 0.000 0.484 578 S N -1.206 114.295 115.700 -0.332 0.000 2.568 578 S HA 0.257 4.738 4.470 0.018 0.000 0.293 578 S C 0.316 174.877 174.600 -0.065 0.000 1.089 578 S CA -0.296 57.809 58.200 -0.159 0.000 0.945 578 S CB 1.702 64.882 63.200 -0.033 0.000 1.077 578 S HN 0.520 nan 8.310 nan 0.000 0.485 579 S N 2.012 117.689 115.700 -0.037 0.000 2.561 579 S HA 0.081 4.562 4.470 0.018 0.000 0.225 579 S C 0.892 175.521 174.600 0.048 0.000 0.977 579 S CA 0.346 58.539 58.200 -0.011 0.000 0.926 579 S CB -0.302 62.878 63.200 -0.034 0.000 0.769 579 S HN 0.699 nan 8.310 nan 0.000 0.533 580 S N 0.774 116.537 115.700 0.105 0.000 2.584 580 S HA 0.204 4.685 4.470 0.018 0.000 0.273 580 S C 0.583 175.219 174.600 0.061 0.000 1.311 580 S CA -0.586 57.693 58.200 0.133 0.000 1.034 580 S CB 0.663 64.033 63.200 0.284 0.000 0.939 580 S HN 0.257 nan 8.310 nan 0.000 0.513 581 D N 3.032 123.441 120.400 0.016 0.000 2.224 581 D HA -0.047 4.603 4.640 0.018 0.000 0.205 581 D C 1.681 177.899 176.300 -0.137 0.000 0.965 581 D CA 1.194 55.175 54.000 -0.032 0.000 0.852 581 D CB -0.386 40.409 40.800 -0.009 0.000 0.947 581 D HN 0.670 nan 8.370 nan 0.000 0.494 582 T N 0.212 114.599 114.554 -0.278 0.000 2.759 582 T HA -0.145 4.216 4.350 0.018 0.000 0.269 582 T C 0.902 175.093 174.700 -0.848 0.000 1.042 582 T CA 0.917 62.569 62.100 -0.747 0.000 1.140 582 T CB -0.122 68.025 68.868 -1.202 0.000 0.864 582 T HN 0.128 nan 8.240 nan 0.000 0.455 583 F N 0.012 119.911 119.950 -0.086 0.000 2.881 583 F HA 0.493 5.030 4.527 0.017 0.000 0.343 583 F C 1.632 177.355 175.800 -0.128 0.000 1.233 583 F CA -1.170 56.772 58.000 -0.097 0.000 1.262 583 F CB -0.063 38.889 39.000 -0.080 0.000 0.980 583 F HN 0.049 nan 8.300 nan 0.000 0.506 584 G N 0.353 109.163 108.800 0.017 0.000 2.598 584 G HA2 -0.033 3.938 3.960 0.018 0.000 0.215 584 G HA3 -0.033 3.938 3.960 0.018 0.000 0.215 584 G C 0.441 175.331 174.900 -0.018 0.000 1.131 584 G CA 0.587 45.683 45.100 -0.006 0.000 0.785 584 G HN 0.529 nan 8.290 nan 0.000 0.539 585 N N -1.866 116.831 118.700 -0.005 0.000 3.278 585 N HA 0.492 5.243 4.740 0.018 0.000 0.307 585 N C -0.062 175.470 175.510 0.037 0.000 1.551 585 N CA -0.938 52.115 53.050 0.005 0.000 0.794 585 N CB 0.618 39.111 38.487 0.011 0.000 1.770 585 N HN -0.119 nan 8.380 nan 0.000 0.612 586 L N -1.553 119.712 121.223 0.071 0.000 3.122 586 L HA 0.455 4.806 4.340 0.018 0.000 0.274 586 L C 1.774 178.769 176.870 0.209 0.000 1.222 586 L CA -0.553 54.380 54.840 0.155 0.000 1.028 586 L CB -0.063 42.110 42.059 0.189 0.000 1.386 586 L HN 0.654 nan 8.230 nan 0.000 0.578 587 K N 1.835 122.311 120.400 0.127 0.000 2.032 587 K HA -0.200 4.131 4.320 0.018 0.000 0.218 587 K C 1.903 178.583 176.600 0.133 0.000 1.054 587 K CA 2.036 58.386 56.287 0.106 0.000 0.941 587 K CB -0.167 32.368 32.500 0.059 0.000 0.720 587 K HN 0.362 nan 8.250 nan 0.000 0.449 588 L N -0.082 121.223 121.223 0.136 0.000 2.131 588 L HA -0.162 4.189 4.340 0.018 0.000 0.210 588 L C 2.466 179.458 176.870 0.204 0.000 1.092 588 L CA 1.085 56.008 54.840 0.137 0.000 0.759 588 L CB -0.414 41.676 42.059 0.052 0.000 0.903 588 L HN 0.285 nan 8.230 nan 0.000 0.435 589 F N 0.560 120.575 119.950 0.108 0.000 2.234 589 F HA -0.003 4.534 4.527 0.017 0.000 0.296 589 F C 2.171 177.979 175.800 0.013 0.000 1.089 589 F CA 1.336 59.376 58.000 0.066 0.000 1.343 589 F CB -0.338 38.747 39.000 0.142 0.000 1.040 589 F HN -0.073 nan 8.300 nan 0.000 0.498 590 G N -0.224 108.675 108.800 0.165 0.000 2.396 590 G HA2 -0.190 3.781 3.960 0.018 0.000 0.214 590 G HA3 -0.190 3.781 3.960 0.018 0.000 0.214 590 G C 1.303 176.195 174.900 -0.014 0.000 1.166 590 G CA 0.832 46.014 45.100 0.138 0.000 0.793 590 G HN 0.294 nan 8.290 nan 0.000 0.533 591 D N 1.434 121.819 120.400 -0.024 0.000 2.104 591 D HA -0.111 4.540 4.640 0.018 0.000 0.194 591 D C 2.809 178.972 176.300 -0.229 0.000 0.994 591 D CA 1.402 55.344 54.000 -0.097 0.000 0.830 591 D CB -0.516 40.261 40.800 -0.039 0.000 0.959 591 D HN 0.304 nan 8.370 nan 0.000 0.452 592 A N 0.678 123.364 122.820 -0.224 0.000 1.902 592 A HA -0.135 4.196 4.320 0.018 0.000 0.217 592 A C 2.230 179.609 177.584 -0.342 0.000 1.181 592 A CA 1.056 52.915 52.037 -0.297 0.000 0.623 592 A CB -0.744 17.866 19.000 -0.650 0.000 0.818 592 A HN 0.233 nan 8.150 nan 0.000 0.443 593 L N -0.594 120.367 121.223 -0.437 0.000 2.093 593 L HA -0.072 4.279 4.340 0.018 0.000 0.208 593 L C 2.504 179.340 176.870 -0.056 0.000 1.085 593 L CA 2.463 57.124 54.840 -0.299 0.000 0.755 593 L CB -0.632 41.086 42.059 -0.568 0.000 0.904 593 L HN 0.366 nan 8.230 nan 0.000 0.435 594 T N -0.698 113.811 114.554 -0.076 0.000 2.668 594 T HA -0.142 4.218 4.350 0.018 0.000 0.262 594 T C 1.898 176.551 174.700 -0.078 0.000 1.045 594 T CA 1.139 63.225 62.100 -0.023 0.000 1.152 594 T CB -0.136 68.719 68.868 -0.023 0.000 0.864 594 T HN 0.091 nan 8.240 nan 0.000 0.419 595 K N 0.893 121.155 120.400 -0.231 0.000 2.280 595 K HA 0.070 4.401 4.320 0.018 0.000 0.202 595 K C 2.338 178.832 176.600 -0.177 0.000 1.047 595 K CA 1.034 57.122 56.287 -0.333 0.000 0.942 595 K CB -0.089 31.885 32.500 -0.877 0.000 0.739 595 K HN 0.317 nan 8.250 nan 0.000 0.457 596 R N -1.701 118.745 120.500 -0.090 0.000 2.123 596 R HA 0.057 4.407 4.340 0.018 0.000 0.209 596 R C 1.414 177.613 176.300 -0.167 0.000 1.078 596 R CA 0.700 56.760 56.100 -0.067 0.000 1.028 596 R CB 0.123 30.411 30.300 -0.019 0.000 0.939 596 R HN 0.140 nan 8.270 nan 0.000 0.463 597 Y N -0.318 119.981 120.300 -0.001 0.000 2.444 597 Y HA 0.340 4.898 4.550 0.013 0.000 0.249 597 Y C 0.624 176.549 175.900 0.041 0.000 1.134 597 Y CA 0.284 58.400 58.100 0.028 0.000 1.261 597 Y CB 1.587 40.059 38.460 0.020 0.000 1.143 597 Y HN 0.199 nan 8.280 nan 0.000 0.523 598 G N 0.719 109.602 108.800 0.139 0.000 2.697 598 G HA2 0.152 4.122 3.960 0.018 0.000 0.686 598 G HA3 0.152 4.122 3.960 0.018 0.000 0.686 598 G C -0.293 174.672 174.900 0.109 0.000 1.179 598 G CA -1.022 44.139 45.100 0.102 0.000 0.765 598 G HN 0.478 nan 8.290 nan 0.000 0.649 599 A N 1.114 123.986 122.820 0.086 0.000 2.547 599 A HA 0.562 4.893 4.320 0.018 0.000 0.233 599 A C 1.125 178.800 177.584 0.151 0.000 1.067 599 A CA 1.288 53.393 52.037 0.112 0.000 0.763 599 A CB 0.146 19.201 19.000 0.091 0.000 1.007 599 A HN 1.983 nan 8.150 nan 0.000 0.506 600 S N 0.504 116.340 115.700 0.227 0.000 2.480 600 S HA 0.460 4.941 4.470 0.018 0.000 0.286 600 S C 1.245 175.963 174.600 0.196 0.000 1.180 600 S CA -0.049 58.291 58.200 0.234 0.000 1.075 600 S CB 1.607 65.058 63.200 0.418 0.000 0.996 600 S HN 1.077 nan 8.310 nan 0.000 0.487 601 A N 3.486 126.308 122.820 0.003 0.000 1.970 601 A HA 0.121 4.452 4.320 0.018 0.000 0.216 601 A C 0.772 178.121 177.584 -0.391 0.000 1.170 601 A CA 1.173 53.173 52.037 -0.062 0.000 0.645 601 A CB -0.453 18.495 19.000 -0.086 0.000 0.816 601 A HN 0.925 nan 8.150 nan 0.000 0.447 602 N N -4.440 113.713 118.700 -0.911 0.000 3.387 602 N HA 0.254 5.005 4.740 0.018 0.000 0.294 602 N C -0.105 174.449 175.510 -1.594 0.000 1.519 602 N CA -0.324 51.752 53.050 -1.624 0.000 0.875 602 N CB -0.011 38.060 38.487 -0.694 0.000 1.657 602 N HN -0.106 nan 8.380 nan 0.000 0.527 603 L N 0.287 120.723 121.223 -1.311 0.000 1.994 603 L HA 0.084 4.434 4.340 0.018 0.000 0.208 603 L C 1.361 178.078 176.870 -0.255 0.000 1.071 603 L CA 1.944 56.400 54.840 -0.640 0.000 0.745 603 L CB -1.164 40.718 42.059 -0.295 0.000 0.892 603 L HN 0.631 nan 8.230 nan 0.000 0.431 604 N N -0.209 118.337 118.700 -0.257 0.000 2.104 604 N HA -0.222 4.529 4.740 0.018 0.000 0.190 604 N C 1.598 177.005 175.510 -0.172 0.000 1.024 604 N CA 1.565 54.511 53.050 -0.174 0.000 0.853 604 N CB -0.536 37.840 38.487 -0.185 0.000 1.008 604 N HN 0.461 nan 8.380 nan 0.000 0.424 605 D N 0.045 120.317 120.400 -0.214 0.000 2.084 605 D HA -0.132 4.519 4.640 0.018 0.000 0.194 605 D C 1.794 178.068 176.300 -0.043 0.000 0.990 605 D CA 0.651 54.552 54.000 -0.165 0.000 0.826 605 D CB -0.328 40.371 40.800 -0.168 0.000 0.971 605 D HN 0.156 nan 8.370 nan 0.000 0.453 606 F N 0.511 120.373 119.950 -0.147 0.000 2.095 606 F HA -0.202 4.331 4.527 0.010 0.000 0.298 606 F C 2.187 178.000 175.800 0.021 0.000 1.104 606 F CA 1.327 59.323 58.000 -0.007 0.000 1.232 606 F CB -0.503 38.544 39.000 0.078 0.000 0.987 606 F HN -0.099 nan 8.300 nan 0.000 0.475 607 V N 2.399 122.343 119.914 0.049 0.000 2.261 607 V HA -0.321 3.810 4.120 0.018 0.000 0.246 607 V C 2.669 178.717 176.094 -0.076 0.000 1.047 607 V CA 2.376 64.661 62.300 -0.025 0.000 1.015 607 V CB -0.939 30.914 31.823 0.050 0.000 0.642 607 V HN 0.439 nan 8.190 nan 0.000 0.446 608 R N 0.759 121.219 120.500 -0.067 0.000 2.120 608 R HA -0.192 4.159 4.340 0.018 0.000 0.234 608 R C 2.127 178.454 176.300 0.044 0.000 1.123 608 R CA 1.781 57.869 56.100 -0.020 0.000 0.975 608 R CB -0.505 29.717 30.300 -0.129 0.000 0.866 608 R HN 0.400 nan 8.270 nan 0.000 0.446 609 K N 0.767 121.144 120.400 -0.040 0.000 2.103 609 K HA 0.025 4.355 4.320 0.018 0.000 0.204 609 K C 2.326 178.685 176.600 -0.401 0.000 1.052 609 K CA 1.213 57.371 56.287 -0.216 0.000 0.945 609 K CB -0.137 32.263 32.500 -0.167 0.000 0.722 609 K HN 0.286 nan 8.250 nan 0.000 0.443 610 A N 1.442 124.079 122.820 -0.305 0.000 1.908 610 A HA -0.221 4.109 4.320 0.018 0.000 0.218 610 A C 2.066 179.645 177.584 -0.008 0.000 1.181 610 A CA 1.411 53.374 52.037 -0.122 0.000 0.627 610 A CB -0.360 18.533 19.000 -0.178 0.000 0.818 610 A HN 0.195 nan 8.150 nan 0.000 0.445 611 Q N -0.110 119.664 119.800 -0.044 0.000 2.079 611 Q HA -0.052 4.299 4.340 0.018 0.000 0.200 611 Q C 2.186 178.188 176.000 0.002 0.000 0.974 611 Q CA 1.186 57.011 55.803 0.036 0.000 0.840 611 Q CB -0.627 28.156 28.738 0.076 0.000 0.898 611 Q HN 0.720 nan 8.270 nan 0.000 0.430 612 L N 0.210 121.280 121.223 -0.255 0.000 2.131 612 L HA -0.136 4.215 4.340 0.018 0.000 0.210 612 L C 2.530 179.546 176.870 0.245 0.000 1.092 612 L CA 1.176 55.869 54.840 -0.245 0.000 0.759 612 L CB -0.459 41.199 42.059 -0.669 0.000 0.903 612 L HN 0.194 nan 8.230 nan 0.000 0.435 613 S N -0.628 115.078 115.700 0.010 0.000 2.387 613 S HA -0.176 4.305 4.470 0.018 0.000 0.226 613 S C 1.908 176.764 174.600 0.427 0.000 1.026 613 S CA 1.082 59.445 58.200 0.273 0.000 0.972 613 S CB 0.070 63.308 63.200 0.064 0.000 0.814 613 S HN 0.429 nan 8.310 nan 0.000 0.477 614 Q N -0.981 119.037 119.800 0.364 0.000 2.123 614 Q HA -0.035 4.315 4.340 0.018 0.000 0.199 614 Q C 1.762 177.968 176.000 0.344 0.000 0.966 614 Q CA 1.542 57.561 55.803 0.359 0.000 0.845 614 Q CB -0.282 28.621 28.738 0.274 0.000 0.907 614 Q HN 0.777 nan 8.270 nan 0.000 0.439 615 Y N 1.359 121.823 120.300 0.273 0.000 2.200 615 Y HA -0.251 4.310 4.550 0.019 0.000 0.290 615 Y C 2.320 178.385 175.900 0.275 0.000 1.137 615 Y CA 1.760 60.044 58.100 0.307 0.000 1.163 615 Y CB 0.205 38.929 38.460 0.441 0.000 0.988 615 Y HN 0.115 nan 8.280 nan 0.000 0.518 616 E N -0.161 120.396 120.200 0.595 0.000 2.047 616 E HA -0.254 4.107 4.350 0.018 0.000 0.191 616 E C 2.038 178.817 176.600 0.298 0.000 0.987 616 E CA 1.219 57.833 56.400 0.358 0.000 0.799 616 E CB -0.353 29.571 29.700 0.374 0.000 0.752 616 E HN 0.503 nan 8.360 nan 0.000 0.449 617 N N 0.144 119.053 118.700 0.349 0.000 2.135 617 N HA -0.127 4.623 4.740 0.018 0.000 0.186 617 N C 2.053 177.695 175.510 0.220 0.000 1.027 617 N CA 1.308 54.565 53.050 0.345 0.000 0.849 617 N CB 0.065 38.806 38.487 0.424 0.000 1.002 617 N HN 0.058 nan 8.380 nan 0.000 0.425 618 V N 1.994 122.006 119.914 0.163 0.000 2.332 618 V HA -0.212 3.918 4.120 0.018 0.000 0.248 618 V C 2.674 178.790 176.094 0.037 0.000 1.055 618 V CA 1.595 63.920 62.300 0.040 0.000 1.038 618 V CB -0.591 31.183 31.823 -0.080 0.000 0.651 618 V HN 0.354 nan 8.190 nan 0.000 0.450 619 R N 0.293 120.798 120.500 0.010 0.000 2.082 619 R HA -0.213 4.138 4.340 0.018 0.000 0.234 619 R C 2.360 178.761 176.300 0.167 0.000 1.136 619 R CA 1.972 58.089 56.100 0.028 0.000 0.935 619 R CB -0.582 29.700 30.300 -0.030 0.000 0.842 619 R HN 0.464 nan 8.270 nan 0.000 0.430 620 A N 0.989 123.964 122.820 0.259 0.000 1.908 620 A HA -0.259 4.072 4.320 0.018 0.000 0.218 620 A C 2.071 179.700 177.584 0.075 0.000 1.181 620 A CA 1.861 54.137 52.037 0.397 0.000 0.627 620 A CB -0.747 18.593 19.000 0.567 0.000 0.818 620 A HN 0.665 nan 8.150 nan 0.000 0.445 621 E N -1.363 118.639 120.200 -0.330 0.000 2.070 621 E HA -0.218 4.143 4.350 0.018 0.000 0.197 621 E C 1.686 177.979 176.600 -0.511 0.000 1.004 621 E CA 1.609 57.422 56.400 -0.978 0.000 0.805 621 E CB -0.212 28.545 29.700 -1.571 0.000 0.744 621 E HN 0.651 nan 8.360 nan 0.000 0.451 622 F N 0.956 120.742 119.950 -0.274 0.000 2.149 622 F HA -0.007 4.530 4.527 0.017 0.000 0.294 622 F C 2.347 178.113 175.800 -0.057 0.000 1.095 622 F CA 1.061 58.947 58.000 -0.189 0.000 1.276 622 F CB -0.114 38.755 39.000 -0.220 0.000 1.023 622 F HN 0.003 nan 8.300 nan 0.000 0.480 623 E N 0.027 120.342 120.200 0.191 0.000 2.160 623 E HA -0.204 4.157 4.350 0.018 0.000 0.195 623 E C 2.298 178.973 176.600 0.124 0.000 0.991 623 E CA 1.579 58.111 56.400 0.221 0.000 0.810 623 E CB -0.296 29.620 29.700 0.360 0.000 0.742 623 E HN 0.420 nan 8.360 nan 0.000 0.466 624 S N 0.428 116.059 115.700 -0.116 0.000 2.368 624 S HA -0.198 4.283 4.470 0.018 0.000 0.224 624 S C 1.777 176.275 174.600 -0.171 0.000 1.029 624 S CA 1.225 59.153 58.200 -0.452 0.000 0.988 624 S CB -0.486 62.149 63.200 -0.942 0.000 0.838 624 S HN 0.301 nan 8.310 nan 0.000 0.462 625 H N 1.280 120.262 119.070 -0.146 0.000 2.389 625 H HA 0.166 4.732 4.556 0.017 0.000 0.299 625 H C 2.623 177.952 175.328 0.002 0.000 1.081 625 H CA 1.408 57.402 56.048 -0.090 0.000 1.345 625 H CB -0.567 29.082 29.762 -0.189 0.000 1.393 625 H HN 0.362 nan 8.280 nan 0.000 0.520 626 S N -0.125 115.662 115.700 0.145 0.000 2.359 626 S HA -0.235 4.245 4.470 0.018 0.000 0.222 626 S C 2.191 176.903 174.600 0.186 0.000 1.038 626 S CA 1.499 59.787 58.200 0.147 0.000 1.051 626 S CB -0.140 63.150 63.200 0.151 0.000 0.944 626 S HN 0.388 nan 8.310 nan 0.000 0.433 627 R N 1.088 121.686 120.500 0.164 0.000 2.080 627 R HA -0.094 4.257 4.340 0.018 0.000 0.236 627 R C 1.299 177.684 176.300 0.143 0.000 1.137 627 R CA 1.843 58.039 56.100 0.160 0.000 0.943 627 R CB -0.426 29.982 30.300 0.180 0.000 0.846 627 R HN 0.298 nan 8.270 nan 0.000 0.431 628 N N 0.119 118.886 118.700 0.113 0.000 2.609 628 N HA -0.146 4.605 4.740 0.018 0.000 0.190 628 N C 0.976 176.579 175.510 0.154 0.000 1.157 628 N CA 0.406 53.515 53.050 0.099 0.000 0.918 628 N CB -0.324 38.189 38.487 0.044 0.000 0.978 628 N HN 0.345 nan 8.380 nan 0.000 0.448 629 Y N 1.883 122.213 120.300 0.049 0.000 2.128 629 Y HA -0.181 4.380 4.550 0.018 0.000 0.284 629 Y C 1.784 177.720 175.900 0.061 0.000 1.154 629 Y CA 1.614 59.750 58.100 0.061 0.000 1.149 629 Y CB -0.719 37.781 38.460 0.068 0.000 0.976 629 Y HN 0.099 nan 8.280 nan 0.000 0.505 630 T N -1.685 112.835 114.554 -0.058 0.000 3.188 630 T HA 0.123 4.483 4.350 0.018 0.000 0.250 630 T C -0.063 174.593 174.700 -0.073 0.000 1.077 630 T CA -0.114 61.880 62.100 -0.175 0.000 0.967 630 T CB -0.420 68.379 68.868 -0.115 0.000 1.006 630 T HN 0.037 nan 8.240 nan 0.000 0.552 631 D N 2.112 122.501 120.400 -0.018 0.000 2.424 631 D HA 0.234 4.884 4.640 0.018 0.000 0.244 631 D C 1.061 177.350 176.300 -0.018 0.000 1.134 631 D CA -0.065 53.934 54.000 -0.003 0.000 0.881 631 D CB 1.315 42.130 40.800 0.025 0.000 1.191 631 D HN 0.053 nan 8.370 nan 0.000 0.445 632 S N 0.676 116.364 115.700 -0.021 0.000 2.370 632 S HA -0.087 4.394 4.470 0.018 0.000 0.226 632 S C 0.866 175.456 174.600 -0.017 0.000 1.033 632 S CA 1.023 59.209 58.200 -0.023 0.000 1.011 632 S CB 0.084 63.270 63.200 -0.023 0.000 0.852 632 S HN 0.531 nan 8.310 nan 0.000 0.457 633 T N 2.273 116.816 114.554 -0.018 0.000 2.841 633 T HA 0.353 4.713 4.350 0.018 0.000 0.283 633 T C -0.413 174.275 174.700 -0.019 0.000 1.000 633 T CA -0.801 61.284 62.100 -0.024 0.000 0.977 633 T CB 1.095 69.936 68.868 -0.045 0.000 0.979 633 T HN 0.225 nan 8.240 nan 0.000 0.446 634 N N 2.126 120.823 118.700 -0.005 0.000 2.669 634 N HA -0.118 4.633 4.740 0.018 0.000 0.266 634 N C -2.569 173.010 175.510 0.115 0.000 1.024 634 N CA 0.292 53.365 53.050 0.038 0.000 0.766 634 N CB -0.655 37.782 38.487 -0.083 0.000 0.898 634 N HN 0.446 nan 8.380 nan 0.000 0.548 635 P HA 0.115 nan 4.420 nan 0.000 0.277 635 P C -0.080 177.337 177.300 0.196 0.000 1.271 635 P CA -0.312 62.870 63.100 0.136 0.000 0.795 635 P CB 0.576 32.335 31.700 0.097 0.000 1.101 636 S N -1.576 114.234 115.700 0.184 0.000 2.513 636 S HA 0.333 4.813 4.470 0.018 0.000 0.276 636 S C 0.955 175.692 174.600 0.228 0.000 1.254 636 S CA -0.040 58.255 58.200 0.159 0.000 1.053 636 S CB 0.085 63.317 63.200 0.054 0.000 0.958 636 S HN 0.620 nan 8.310 nan 0.000 0.491 637 T N -0.322 114.325 114.554 0.155 0.000 2.969 637 T HA 0.529 4.890 4.350 0.018 0.000 0.250 637 T C 0.749 175.405 174.700 -0.074 0.000 1.021 637 T CA 0.227 62.446 62.100 0.198 0.000 1.003 637 T CB 0.088 69.167 68.868 0.351 0.000 1.040 637 T HN 1.177 nan 8.240 nan 0.000 0.492 638 G N 0.828 109.320 108.800 -0.513 0.000 2.632 638 G HA2 0.553 4.524 3.960 0.018 0.000 0.292 638 G HA3 0.553 4.524 3.960 0.018 0.000 0.292 638 G C -2.559 171.820 174.900 -0.869 0.000 1.465 638 G CA -0.815 43.665 45.100 -1.033 0.000 0.824 638 G HN 0.460 nan 8.290 nan 0.000 0.509 639 L N 1.532 122.367 121.223 -0.647 0.000 2.476 639 L HA 0.702 5.052 4.340 0.018 0.000 0.269 639 L C -1.344 175.298 176.870 -0.380 0.000 0.965 639 L CA -0.867 53.594 54.840 -0.630 0.000 0.845 639 L CB 1.641 43.117 42.059 -0.972 0.000 1.259 639 L HN 0.400 nan 8.230 nan 0.000 0.403 640 I N 5.464 125.881 120.570 -0.254 0.000 2.306 640 I HA 0.192 4.373 4.170 0.018 0.000 0.288 640 I C -0.248 175.836 176.117 -0.054 0.000 1.036 640 I CA -0.468 60.808 61.300 -0.041 0.000 1.221 640 I CB 0.616 38.676 38.000 0.099 0.000 1.385 640 I HN 0.668 nan 8.210 nan 0.000 0.472 641 Y N 6.417 126.641 120.300 -0.126 0.000 2.578 641 Y HA -0.003 4.557 4.550 0.017 0.000 0.339 641 Y C -0.276 175.651 175.900 0.044 0.000 1.231 641 Y CA 0.244 58.262 58.100 -0.136 0.000 1.461 641 Y CB 0.759 39.220 38.460 0.001 0.000 1.323 641 Y HN 0.560 nan 8.280 nan 0.000 0.590 642 W N 10.072 130.725 121.300 -1.079 0.000 2.413 642 W HA 0.417 5.087 4.660 0.017 0.000 0.308 642 W C -1.664 174.386 176.519 -0.781 0.000 0.997 642 W CA -0.753 56.104 57.345 -0.813 0.000 1.447 642 W CB 0.804 29.806 29.460 -0.762 0.000 1.263 642 W HN 0.635 nan 8.180 nan 0.000 0.416 643 M N 3.131 122.413 119.600 -0.530 0.000 2.788 643 M HA 0.261 4.751 4.480 0.018 0.000 0.291 643 M C 0.989 177.207 176.300 -0.137 0.000 1.213 643 M CA -0.773 54.162 55.300 -0.607 0.000 0.768 643 M CB 1.829 33.704 32.600 -1.209 0.000 1.766 643 M HN 0.301 nan 8.290 nan 0.000 0.460 644 L N 1.417 122.504 121.223 -0.227 0.000 2.109 644 L HA 0.019 4.370 4.340 0.018 0.000 0.207 644 L C 0.328 176.847 176.870 -0.585 0.000 1.086 644 L CA 1.365 56.079 54.840 -0.210 0.000 0.760 644 L CB -0.016 41.998 42.059 -0.075 0.000 0.910 644 L HN 0.855 nan 8.230 nan 0.000 0.437 645 N N -1.975 116.336 118.700 -0.647 0.000 2.853 645 N HA 0.244 4.995 4.740 0.018 0.000 0.258 645 N C -1.422 173.778 175.510 -0.517 0.000 1.444 645 N CA -0.419 52.153 53.050 -0.797 0.000 0.837 645 N CB 1.375 39.264 38.487 -0.998 0.000 1.489 645 N HN -0.079 nan 8.380 nan 0.000 0.529 646 S N -0.913 114.562 115.700 -0.374 0.000 2.532 646 S HA 0.585 5.066 4.470 0.018 0.000 0.301 646 S C -1.939 172.545 174.600 -0.193 0.000 1.083 646 S CA -1.732 56.326 58.200 -0.237 0.000 1.025 646 S CB 1.069 64.186 63.200 -0.137 0.000 1.056 646 S HN 0.418 nan 8.310 nan 0.000 0.494 647 P HA 0.032 nan 4.420 nan 0.000 0.219 647 P C -0.092 177.060 177.300 -0.246 0.000 1.146 647 P CA 1.159 64.068 63.100 -0.319 0.000 0.808 647 P CB 0.049 31.299 31.700 -0.749 0.000 0.779 648 W N -2.123 118.844 121.300 -0.555 0.000 3.265 648 W HA 0.379 5.051 4.660 0.020 0.000 0.413 648 W C -1.198 174.793 176.519 -0.879 0.000 1.047 648 W CA -0.591 56.197 57.345 -0.928 0.000 1.210 648 W CB -0.905 28.009 29.460 -0.910 0.000 1.476 648 W HN -0.381 nan 8.180 nan 0.000 0.624 649 T N 1.386 115.146 114.554 -1.323 0.000 2.769 649 T HA 0.439 4.799 4.350 0.018 0.000 0.293 649 T C -0.116 173.996 174.700 -0.980 0.000 0.931 649 T CA 0.142 61.634 62.100 -1.014 0.000 1.139 649 T CB 0.857 69.188 68.868 -0.895 0.000 0.881 649 T HN 0.690 nan 8.240 nan 0.000 0.532 650 S N 2.120 117.490 115.700 -0.550 0.000 2.667 650 S HA 0.614 5.095 4.470 0.018 0.000 0.292 650 S C 0.329 174.781 174.600 -0.247 0.000 1.126 650 S CA -1.045 56.942 58.200 -0.355 0.000 0.881 650 S CB 1.218 64.351 63.200 -0.113 0.000 1.132 650 S HN 0.718 nan 8.310 nan 0.000 0.492 651 L N 1.939 123.029 121.223 -0.221 0.000 2.766 651 L HA 0.413 4.764 4.340 0.018 0.000 0.242 651 L C 0.562 177.350 176.870 -0.137 0.000 1.136 651 L CA -0.158 54.570 54.840 -0.186 0.000 0.933 651 L CB -0.212 41.731 42.059 -0.193 0.000 1.241 651 L HN 0.786 nan 8.230 nan 0.000 0.522 652 H N -6.232 112.688 119.070 -0.251 0.000 2.943 652 H HA 0.191 4.758 4.556 0.018 0.000 0.323 652 H C -0.982 174.286 175.328 -0.100 0.000 1.296 652 H CA -1.223 54.664 56.048 -0.268 0.000 1.155 652 H CB 0.660 30.054 29.762 -0.614 0.000 1.882 652 H HN -0.123 nan 8.280 nan 0.000 0.553 653 W N 1.528 122.709 121.300 -0.199 0.000 6.719 653 W HA -0.207 4.465 4.660 0.019 0.000 0.406 653 W C -0.720 175.625 176.519 -0.290 0.000 1.551 653 W CA 1.296 58.392 57.345 -0.416 0.000 1.103 653 W CB -2.163 26.743 29.460 -0.922 0.000 2.735 653 W HN 0.829 nan 8.180 nan 0.000 1.586 654 Q N -2.030 117.834 119.800 0.107 0.000 2.340 654 Q HA 0.637 4.987 4.340 0.018 0.000 0.276 654 Q C -0.123 175.889 176.000 0.020 0.000 1.048 654 Q CA -1.011 54.771 55.803 -0.034 0.000 0.832 654 Q CB 1.307 29.974 28.738 -0.118 0.000 1.373 654 Q HN 0.163 nan 8.270 nan 0.000 0.409 655 L N 0.790 121.953 121.223 -0.102 0.000 2.185 655 L HA 0.259 4.610 4.340 0.018 0.000 0.198 655 L C 0.750 177.753 176.870 0.222 0.000 1.079 655 L CA 0.494 55.307 54.840 -0.045 0.000 0.780 655 L CB 0.042 42.020 42.059 -0.135 0.000 0.955 655 L HN 0.664 nan 8.230 nan 0.000 0.462 656 F N 0.508 120.612 119.950 0.256 0.000 2.425 656 F HA 0.517 5.054 4.527 0.017 0.000 0.331 656 F C 0.012 175.845 175.800 0.054 0.000 1.085 656 F CA -1.868 56.255 58.000 0.205 0.000 1.028 656 F CB 0.115 39.335 39.000 0.367 0.000 1.177 656 F HN -0.013 nan 8.300 nan 0.000 0.487 657 D N 1.769 122.289 120.400 0.200 0.000 2.451 657 D HA 0.387 5.037 4.640 0.018 0.000 0.259 657 D C 1.052 177.390 176.300 0.063 0.000 1.201 657 D CA -0.356 53.662 54.000 0.031 0.000 1.028 657 D CB 0.550 41.337 40.800 -0.021 0.000 1.095 657 D HN 0.737 nan 8.370 nan 0.000 0.539 658 A N -0.953 121.768 122.820 -0.165 0.000 2.019 658 A HA -0.156 4.174 4.320 0.018 0.000 0.219 658 A C 1.280 178.791 177.584 -0.122 0.000 1.164 658 A CA 1.015 52.933 52.037 -0.198 0.000 0.644 658 A CB -1.009 17.719 19.000 -0.454 0.000 0.805 658 A HN 0.571 nan 8.150 nan 0.000 0.449 659 Y N -1.584 118.793 120.300 0.129 0.000 2.470 659 Y HA 0.263 4.823 4.550 0.017 0.000 0.284 659 Y C 0.925 176.848 175.900 0.038 0.000 1.188 659 Y CA -0.249 57.904 58.100 0.089 0.000 1.269 659 Y CB -0.061 38.442 38.460 0.071 0.000 1.094 659 Y HN 0.187 nan 8.280 nan 0.000 0.518 660 M N -1.146 118.540 119.600 0.142 0.000 2.908 660 M HA -0.257 4.234 4.480 0.018 0.000 0.191 660 M C -0.589 175.806 176.300 0.160 0.000 0.619 660 M CA 0.570 55.890 55.300 0.032 0.000 0.709 660 M CB -1.881 30.615 32.600 -0.174 0.000 2.554 660 M HN 0.292 nan 8.290 nan 0.000 0.356 661 D N 1.781 122.267 120.400 0.142 0.000 2.339 661 D HA 0.455 5.106 4.640 0.018 0.000 0.245 661 D C 0.124 176.369 176.300 -0.091 0.000 1.115 661 D CA 0.408 54.434 54.000 0.044 0.000 0.917 661 D CB 0.675 41.517 40.800 0.070 0.000 1.192 661 D HN 0.367 nan 8.370 nan 0.000 0.428 662 Q N 1.933 121.573 119.800 -0.267 0.000 2.327 662 Q HA 0.320 4.671 4.340 0.018 0.000 0.270 662 Q C -0.150 175.510 176.000 -0.566 0.000 1.022 662 Q CA -0.972 54.463 55.803 -0.614 0.000 0.773 662 Q CB 1.649 29.788 28.738 -0.998 0.000 1.251 662 Q HN 0.454 nan 8.270 nan 0.000 0.457 663 N N 0.808 119.265 118.700 -0.404 0.000 3.061 663 N HA 0.313 5.063 4.740 0.018 0.000 0.346 663 N C 0.988 176.428 175.510 -0.117 0.000 1.392 663 N CA -0.074 52.846 53.050 -0.215 0.000 0.762 663 N CB -0.391 38.077 38.487 -0.032 0.000 1.367 663 N HN 0.429 nan 8.380 nan 0.000 0.607 664 G N -0.117 108.795 108.800 0.187 0.000 2.514 664 G HA2 -0.245 3.726 3.960 0.018 0.000 0.217 664 G HA3 -0.245 3.726 3.960 0.018 0.000 0.217 664 G C 1.416 176.501 174.900 0.308 0.000 1.198 664 G CA 2.297 47.648 45.100 0.418 0.000 0.780 664 G HN 0.824 nan 8.290 nan 0.000 0.565 665 A N -0.455 122.455 122.820 0.150 0.000 1.933 665 A HA -0.019 4.312 4.320 0.018 0.000 0.218 665 A C 2.213 179.747 177.584 -0.084 0.000 1.175 665 A CA 1.757 53.808 52.037 0.024 0.000 0.628 665 A CB -0.626 18.386 19.000 0.020 0.000 0.814 665 A HN 0.516 nan 8.150 nan 0.000 0.444 666 Y N -0.921 119.279 120.300 -0.167 0.000 2.114 666 Y HA -0.262 4.298 4.550 0.017 0.000 0.284 666 Y C 2.211 178.016 175.900 -0.158 0.000 1.143 666 Y CA 2.170 60.144 58.100 -0.210 0.000 1.135 666 Y CB -0.358 37.933 38.460 -0.281 0.000 0.980 666 Y HN 0.377 nan 8.280 nan 0.000 0.499 667 Y N -0.278 120.117 120.300 0.159 0.000 2.274 667 Y HA -0.052 4.508 4.550 0.016 0.000 0.290 667 Y C 2.595 178.328 175.900 -0.280 0.000 1.145 667 Y CA 0.813 58.957 58.100 0.074 0.000 1.203 667 Y CB -1.298 37.343 38.460 0.301 0.000 0.984 667 Y HN 0.208 nan 8.280 nan 0.000 0.533 668 G N -0.730 107.851 108.800 -0.365 0.000 2.403 668 G HA2 -0.121 3.850 3.960 0.018 0.000 0.216 668 G HA3 -0.121 3.850 3.960 0.018 0.000 0.216 668 G C 1.909 176.499 174.900 -0.516 0.000 1.154 668 G CA 0.901 45.493 45.100 -0.846 0.000 0.784 668 G HN 0.453 nan 8.290 nan 0.000 0.538 669 A N 0.714 123.252 122.820 -0.470 0.000 1.898 669 A HA 0.112 4.442 4.320 0.018 0.000 0.214 669 A C 2.169 179.391 177.584 -0.603 0.000 1.183 669 A CA 1.958 53.607 52.037 -0.646 0.000 0.622 669 A CB -0.410 18.104 19.000 -0.810 0.000 0.824 669 A HN 0.364 nan 8.150 nan 0.000 0.444 670 K N 0.020 120.125 120.400 -0.493 0.000 2.044 670 K HA -0.283 4.047 4.320 0.018 0.000 0.210 670 K C 2.132 178.561 176.600 -0.285 0.000 1.049 670 K CA 2.148 58.217 56.287 -0.363 0.000 0.927 670 K CB -0.146 32.223 32.500 -0.217 0.000 0.713 670 K HN 0.278 nan 8.250 nan 0.000 0.443 671 K N 0.626 120.882 120.400 -0.240 0.000 2.002 671 K HA -0.067 4.263 4.320 0.018 0.000 0.209 671 K C 1.786 178.140 176.600 -0.410 0.000 1.048 671 K CA 1.803 57.987 56.287 -0.171 0.000 0.930 671 K CB -0.664 31.811 32.500 -0.043 0.000 0.714 671 K HN 0.245 nan 8.250 nan 0.000 0.438 672 A N 0.633 123.205 122.820 -0.413 0.000 2.019 672 A HA -0.103 4.227 4.320 0.018 0.000 0.219 672 A C 1.463 178.719 177.584 -0.547 0.000 1.164 672 A CA 1.703 53.478 52.037 -0.437 0.000 0.644 672 A CB -0.427 18.453 19.000 -0.199 0.000 0.805 672 A HN 0.490 nan 8.150 nan 0.000 0.449 673 N N 0.049 118.442 118.700 -0.511 0.000 2.214 673 N HA 0.059 4.810 4.740 0.018 0.000 0.214 673 N C -0.517 174.819 175.510 -0.290 0.000 1.132 673 N CA -0.057 52.756 53.050 -0.394 0.000 0.856 673 N CB 0.361 38.577 38.487 -0.451 0.000 1.020 673 N HN 0.598 nan 8.380 nan 0.000 0.509 674 E N 1.821 121.830 120.200 -0.318 0.000 2.481 674 E HA -0.060 4.301 4.350 0.018 0.000 0.263 674 E C -1.227 175.346 176.600 -0.045 0.000 0.992 674 E CA -1.097 55.222 56.400 -0.135 0.000 0.938 674 E CB 0.937 30.618 29.700 -0.031 0.000 0.933 674 E HN 0.159 nan 8.360 nan 0.000 0.453 675 P HA -0.118 nan 4.420 nan 0.000 0.217 675 P C 0.014 177.341 177.300 0.045 0.000 1.150 675 P CA 0.962 64.064 63.100 0.003 0.000 0.832 675 P CB 0.390 32.086 31.700 -0.007 0.000 0.787 676 L N -0.050 121.215 121.223 0.070 0.000 2.388 676 L HA 0.461 4.812 4.340 0.018 0.000 0.267 676 L C -1.080 175.879 176.870 0.148 0.000 0.995 676 L CA -1.124 53.771 54.840 0.091 0.000 0.864 676 L CB 0.314 42.407 42.059 0.056 0.000 1.216 676 L HN -0.019 nan 8.230 nan 0.000 0.430 677 H N 3.493 122.589 119.070 0.043 0.000 2.717 677 H HA 0.635 5.201 4.556 0.017 0.000 0.366 677 H C -1.396 173.981 175.328 0.083 0.000 1.132 677 H CA -0.553 55.530 56.048 0.059 0.000 1.180 677 H CB 1.948 31.741 29.762 0.051 0.000 1.678 677 H HN 0.560 nan 8.280 nan 0.000 0.537 678 I N 5.036 125.272 120.570 -0.556 0.000 2.378 678 I HA 0.305 4.486 4.170 0.018 0.000 0.291 678 I C -0.888 174.928 176.117 -0.502 0.000 0.992 678 I CA -0.311 60.768 61.300 -0.368 0.000 1.154 678 I CB 0.857 38.788 38.000 -0.114 0.000 1.315 678 I HN 0.775 nan 8.210 nan 0.000 0.448 679 Q N 6.348 126.068 119.800 -0.133 0.000 2.633 679 Q HA 0.441 4.792 4.340 0.018 0.000 0.292 679 Q C -1.815 174.275 176.000 0.151 0.000 1.089 679 Q CA -0.889 55.004 55.803 0.149 0.000 0.811 679 Q CB 2.588 31.504 28.738 0.296 0.000 1.472 679 Q HN 0.665 nan 8.270 nan 0.000 0.464 680 Y N 0.015 120.248 120.300 -0.111 0.000 2.361 680 Y HA 0.405 4.966 4.550 0.018 0.000 0.328 680 Y C -1.530 174.084 175.900 -0.476 0.000 1.044 680 Y CA -0.538 57.293 58.100 -0.449 0.000 1.085 680 Y CB 2.358 40.248 38.460 -0.950 0.000 1.194 680 Y HN 0.727 nan 8.280 nan 0.000 0.438 681 S N 4.981 120.185 115.700 -0.827 0.000 2.505 681 S HA 0.065 4.545 4.470 0.018 0.000 0.276 681 S C 0.462 174.433 174.600 -1.048 0.000 1.274 681 S CA -0.274 57.442 58.200 -0.807 0.000 1.053 681 S CB 0.279 63.140 63.200 -0.566 0.000 0.919 681 S HN 0.905 nan 8.310 nan 0.000 0.490 682 H N 1.435 119.934 119.070 -0.952 0.000 2.545 682 H HA -0.068 4.499 4.556 0.017 0.000 0.282 682 H C 1.545 176.623 175.328 -0.417 0.000 1.020 682 H CA 1.292 57.062 56.048 -0.464 0.000 1.243 682 H CB 0.267 29.955 29.762 -0.123 0.000 1.377 682 H HN 0.644 nan 8.280 nan 0.000 0.581 683 D N -0.811 119.289 120.400 -0.500 0.000 2.355 683 D HA -0.069 4.582 4.640 0.018 0.000 0.206 683 D C 0.910 177.098 176.300 -0.187 0.000 1.010 683 D CA 0.549 54.416 54.000 -0.222 0.000 0.875 683 D CB 0.096 40.825 40.800 -0.119 0.000 0.966 683 D HN 0.489 nan 8.370 nan 0.000 0.512 684 N N -0.279 118.247 118.700 -0.289 0.000 1.958 684 N HA 0.027 4.778 4.740 0.018 0.000 0.223 684 N C -0.011 175.318 175.510 -0.303 0.000 1.395 684 N CA -0.178 52.736 53.050 -0.226 0.000 0.737 684 N CB -0.022 38.365 38.487 -0.167 0.000 1.155 684 N HN 0.013 nan 8.380 nan 0.000 0.529 685 R N -0.275 119.906 120.500 -0.531 0.000 3.989 685 R HA -0.148 4.202 4.340 0.018 0.000 0.377 685 R C -0.725 175.223 176.300 -0.587 0.000 1.158 685 R CA 1.040 56.712 56.100 -0.713 0.000 1.035 685 R CB -2.874 27.285 30.300 -0.235 0.000 1.557 685 R HN 0.564 nan 8.270 nan 0.000 0.551 686 S N 0.042 115.462 115.700 -0.467 0.000 2.533 686 S HA 0.367 4.847 4.470 0.018 0.000 0.282 686 S C 0.562 175.008 174.600 -0.257 0.000 1.304 686 S CA -0.757 57.282 58.200 -0.269 0.000 1.063 686 S CB 2.001 65.099 63.200 -0.169 0.000 0.881 686 S HN 0.118 nan 8.310 nan 0.000 0.493 687 V N 4.912 124.763 119.914 -0.105 0.000 2.339 687 V HA 0.248 4.378 4.120 0.018 0.000 0.261 687 V C 0.104 176.195 176.094 -0.005 0.000 1.058 687 V CA -0.493 61.794 62.300 -0.023 0.000 0.897 687 V CB 0.352 32.209 31.823 0.057 0.000 1.052 687 V HN 0.838 nan 8.190 nan 0.000 0.480 688 V N 5.607 125.524 119.914 0.004 0.000 2.834 688 V HA 0.571 4.702 4.120 0.018 0.000 0.313 688 V C -0.015 176.103 176.094 0.040 0.000 1.060 688 V CA -0.688 61.631 62.300 0.031 0.000 0.989 688 V CB 2.040 33.898 31.823 0.058 0.000 1.041 688 V HN 0.472 nan 8.190 nan 0.000 0.459 689 V N 4.111 124.054 119.914 0.048 0.000 2.588 689 V HA 0.511 4.642 4.120 0.018 0.000 0.304 689 V C -0.617 175.528 176.094 0.085 0.000 1.042 689 V CA -0.443 61.886 62.300 0.049 0.000 0.877 689 V CB 1.804 33.648 31.823 0.034 0.000 0.996 689 V HN 0.582 nan 8.190 nan 0.000 0.425 690 I N 3.944 124.585 120.570 0.118 0.000 2.433 690 I HA 0.443 4.624 4.170 0.018 0.000 0.292 690 I C -0.334 175.858 176.117 0.124 0.000 1.001 690 I CA -0.527 60.859 61.300 0.143 0.000 1.119 690 I CB 1.775 39.891 38.000 0.194 0.000 1.289 690 I HN 0.690 nan 8.210 nan 0.000 0.438 691 N N 5.422 124.183 118.700 0.101 0.000 2.518 691 N HA 0.234 4.985 4.740 0.018 0.000 0.254 691 N C 0.468 176.020 175.510 0.071 0.000 0.979 691 N CA -0.324 52.772 53.050 0.077 0.000 0.930 691 N CB 1.229 39.752 38.487 0.060 0.000 1.152 691 N HN 0.319 nan 8.380 nan 0.000 0.505 692 Q N 0.588 120.418 119.800 0.051 0.000 2.389 692 Q HA 0.017 4.367 4.340 0.018 0.000 0.204 692 Q C 0.553 176.562 176.000 0.017 0.000 0.944 692 Q CA 0.445 56.266 55.803 0.030 0.000 0.908 692 Q CB -0.386 28.351 28.738 -0.001 0.000 1.002 692 Q HN 0.798 nan 8.270 nan 0.000 0.493 693 T N -0.823 113.737 114.554 0.010 0.000 2.748 693 T HA 0.116 4.477 4.350 0.018 0.000 0.304 693 T C 1.208 175.900 174.700 -0.012 0.000 1.041 693 T CA 0.144 62.237 62.100 -0.011 0.000 1.033 693 T CB 0.907 69.766 68.868 -0.016 0.000 0.995 693 T HN 0.149 nan 8.240 nan 0.000 0.536 694 S N 0.201 115.874 115.700 -0.045 0.000 2.575 694 S HA 0.182 4.662 4.470 0.018 0.000 0.215 694 S C 0.313 174.881 174.600 -0.054 0.000 0.966 694 S CA -0.741 57.425 58.200 -0.056 0.000 0.911 694 S CB -0.408 62.716 63.200 -0.126 0.000 0.780 694 S HN 0.682 nan 8.310 nan 0.000 0.514 695 N N 2.026 120.702 118.700 -0.041 0.000 2.372 695 N HA 0.579 5.330 4.740 0.018 0.000 0.291 695 N C -0.422 175.083 175.510 -0.008 0.000 1.024 695 N CA -0.242 52.791 53.050 -0.029 0.000 0.873 695 N CB 1.792 40.257 38.487 -0.037 0.000 1.206 695 N HN 0.320 nan 8.380 nan 0.000 0.486 696 A N 1.455 124.274 122.820 -0.001 0.000 2.507 696 A HA 0.344 4.675 4.320 0.018 0.000 0.235 696 A C 0.068 177.655 177.584 0.005 0.000 1.070 696 A CA 0.119 52.161 52.037 0.008 0.000 0.768 696 A CB 0.287 19.292 19.000 0.009 0.000 1.011 696 A HN 0.414 nan 8.150 nan 0.000 0.502 697 V N 1.279 121.200 119.914 0.010 0.000 2.876 697 V HA 0.659 4.789 4.120 0.018 0.000 0.312 697 V C 0.222 176.322 176.094 0.010 0.000 1.085 697 V CA -0.412 61.894 62.300 0.009 0.000 0.945 697 V CB 2.186 34.017 31.823 0.013 0.000 1.017 697 V HN 1.030 nan 8.190 nan 0.000 0.428 698 S N 0.890 116.595 115.700 0.007 0.000 2.740 698 S HA 0.781 5.262 4.470 0.018 0.000 0.300 698 S C 0.516 175.120 174.600 0.007 0.000 1.147 698 S CA 0.133 58.337 58.200 0.007 0.000 0.871 698 S CB 1.710 64.913 63.200 0.005 0.000 1.173 698 S HN 1.939 nan 8.310 nan 0.000 0.510 699 G N 1.137 109.940 108.800 0.006 0.000 2.338 699 G HA2 -0.204 3.766 3.960 0.018 0.000 0.296 699 G HA3 -0.204 3.766 3.960 0.018 0.000 0.296 699 G C -0.465 174.439 174.900 0.006 0.000 1.040 699 G CA 0.200 45.303 45.100 0.005 0.000 1.004 699 G HN 0.456 nan 8.290 nan 0.000 0.509 700 L N 0.676 121.904 121.223 0.008 0.000 2.264 700 L HA 0.555 4.905 4.340 0.018 0.000 0.289 700 L C 0.865 177.740 176.870 0.008 0.000 1.044 700 L CA -0.464 54.382 54.840 0.010 0.000 0.807 700 L CB 1.866 43.934 42.059 0.015 0.000 1.192 700 L HN 0.270 nan 8.230 nan 0.000 0.425 701 T N 2.403 116.961 114.554 0.007 0.000 2.767 701 T HA 0.617 4.977 4.350 0.018 0.000 0.288 701 T C -0.099 174.604 174.700 0.006 0.000 0.963 701 T CA -0.470 61.632 62.100 0.003 0.000 1.019 701 T CB 1.026 69.894 68.868 -0.001 0.000 0.923 701 T HN 0.671 nan 8.240 nan 0.000 0.468 702 A N 4.747 127.570 122.820 0.005 0.000 2.644 702 A HA 0.545 4.876 4.320 0.018 0.000 0.343 702 A C 0.489 178.077 177.584 0.006 0.000 1.324 702 A CA -0.718 51.325 52.037 0.010 0.000 0.846 702 A CB 0.007 19.016 19.000 0.015 0.000 1.128 702 A HN 0.830 nan 8.150 nan 0.000 0.484 703 T N 2.159 116.713 114.554 -0.001 0.000 2.752 703 T HA 0.389 4.750 4.350 0.018 0.000 0.295 703 T C 0.395 175.094 174.700 -0.002 0.000 0.923 703 T CA 0.438 62.529 62.100 -0.016 0.000 1.112 703 T CB 0.593 69.444 68.868 -0.027 0.000 0.884 703 T HN 0.686 nan 8.240 nan 0.000 0.525 704 T N 3.734 118.289 114.554 0.001 0.000 2.812 704 T HA 0.551 4.912 4.350 0.018 0.000 0.282 704 T C -0.831 173.890 174.700 0.035 0.000 0.990 704 T CA -0.891 61.240 62.100 0.052 0.000 0.960 704 T CB 0.556 69.501 68.868 0.127 0.000 0.948 704 T HN 0.480 nan 8.240 nan 0.000 0.438 705 K N 3.903 124.322 120.400 0.031 0.000 2.371 705 K HA 0.630 4.961 4.320 0.018 0.000 0.251 705 K C -1.017 175.592 176.600 0.015 0.000 0.934 705 K CA -0.895 55.359 56.287 -0.055 0.000 0.798 705 K CB 2.332 34.719 32.500 -0.189 0.000 1.204 705 K HN 0.524 nan 8.250 nan 0.000 0.427 706 L N 2.966 124.163 121.223 -0.042 0.000 2.334 706 L HA 0.543 4.893 4.340 0.018 0.000 0.276 706 L C -1.181 175.573 176.870 -0.193 0.000 1.014 706 L CA -0.914 53.944 54.840 0.030 0.000 0.815 706 L CB 0.946 43.063 42.059 0.097 0.000 1.268 706 L HN 0.588 nan 8.230 nan 0.000 0.428 707 Y N 0.813 121.223 120.300 0.184 0.000 2.545 707 Y HA 0.383 4.943 4.550 0.018 0.000 0.348 707 Y C 0.172 176.195 175.900 0.204 0.000 1.002 707 Y CA -0.917 57.298 58.100 0.193 0.000 1.039 707 Y CB 1.909 40.548 38.460 0.298 0.000 1.271 707 Y HN 0.495 nan 8.280 nan 0.000 0.467 708 N N 0.578 119.468 118.700 0.316 0.000 2.448 708 N HA 0.335 5.086 4.740 0.018 0.000 0.274 708 N C 0.642 176.278 175.510 0.210 0.000 1.239 708 N CA -0.375 52.812 53.050 0.229 0.000 0.982 708 N CB 0.813 39.382 38.487 0.138 0.000 1.199 708 N HN 0.674 nan 8.380 nan 0.000 0.576 709 L N 0.243 121.546 121.223 0.134 0.000 2.622 709 L HA -0.057 4.294 4.340 0.018 0.000 0.233 709 L C 0.935 177.839 176.870 0.057 0.000 1.156 709 L CA 0.712 55.592 54.840 0.066 0.000 0.866 709 L CB -0.287 41.791 42.059 0.032 0.000 0.980 709 L HN 0.548 nan 8.230 nan 0.000 0.448 710 D N -1.094 119.359 120.400 0.088 0.000 2.363 710 D HA 0.062 4.713 4.640 0.018 0.000 0.214 710 D C 1.343 177.708 176.300 0.109 0.000 1.093 710 D CA 0.663 54.709 54.000 0.076 0.000 0.837 710 D CB 0.599 41.439 40.800 0.067 0.000 0.948 710 D HN 0.176 nan 8.370 nan 0.000 0.507 711 G N 0.172 109.075 108.800 0.171 0.000 2.195 711 G HA2 -0.256 3.715 3.960 0.018 0.000 0.246 711 G HA3 -0.256 3.715 3.960 0.018 0.000 0.246 711 G C 0.372 175.517 174.900 0.409 0.000 0.984 711 G CA 0.239 45.498 45.100 0.264 0.000 0.633 711 G HN 0.428 nan 8.290 nan 0.000 0.525 712 T N 1.311 116.035 114.554 0.283 0.000 2.799 712 T HA 0.409 4.769 4.350 0.018 0.000 0.296 712 T C 0.336 175.144 174.700 0.179 0.000 0.947 712 T CA 0.321 62.545 62.100 0.206 0.000 1.141 712 T CB 1.745 70.681 68.868 0.113 0.000 0.891 712 T HN 0.474 nan 8.240 nan 0.000 0.533 713 E N 2.372 122.602 120.200 0.051 0.000 2.324 713 E HA 0.040 4.400 4.350 0.018 0.000 0.271 713 E C 0.477 176.984 176.600 -0.155 0.000 1.028 713 E CA -0.366 55.869 56.400 -0.275 0.000 0.890 713 E CB 0.350 29.863 29.700 -0.311 0.000 1.004 713 E HN 0.350 nan 8.360 nan 0.000 0.431 714 K N 3.764 124.067 120.400 -0.162 0.000 2.413 714 K HA 0.110 4.440 4.320 0.018 0.000 0.204 714 K C -1.083 175.537 176.600 0.032 0.000 1.041 714 K CA -0.213 56.042 56.287 -0.054 0.000 1.082 714 K CB 0.554 33.026 32.500 -0.045 0.000 0.871 714 K HN 0.570 nan 8.250 nan 0.000 0.535 715 Y N -1.293 118.894 120.300 -0.188 0.000 2.755 715 Y HA 0.278 4.839 4.550 0.017 0.000 0.368 715 Y C -1.956 173.836 175.900 -0.179 0.000 1.177 715 Y CA -0.834 57.177 58.100 -0.148 0.000 1.290 715 Y CB 0.924 39.317 38.460 -0.113 0.000 1.415 715 Y HN -0.154 nan 8.280 nan 0.000 0.501 716 S N 3.555 118.707 115.700 -0.913 0.000 2.535 716 S HA 0.625 5.106 4.470 0.018 0.000 0.272 716 S C -2.220 171.947 174.600 -0.723 0.000 1.149 716 S CA -0.623 57.193 58.200 -0.639 0.000 0.888 716 S CB 1.362 64.346 63.200 -0.360 0.000 1.110 716 S HN 0.799 nan 8.310 nan 0.000 0.463 717 N N 0.837 119.293 118.700 -0.408 0.000 2.324 717 N HA 0.600 5.351 4.740 0.018 0.000 0.285 717 N C -1.908 173.532 175.510 -0.117 0.000 1.076 717 N CA -0.289 52.615 53.050 -0.244 0.000 0.864 717 N CB 2.098 40.501 38.487 -0.139 0.000 1.632 717 N HN 0.394 nan 8.380 nan 0.000 0.478 718 T N 1.814 116.316 114.554 -0.088 0.000 2.892 718 T HA 0.279 4.640 4.350 0.018 0.000 0.311 718 T C -0.706 173.974 174.700 -0.033 0.000 1.033 718 T CA -0.483 61.586 62.100 -0.051 0.000 0.991 718 T CB 0.682 69.519 68.868 -0.052 0.000 0.981 718 T HN 0.403 nan 8.240 nan 0.000 0.457 719 K N 3.333 123.724 120.400 -0.016 0.000 2.248 719 K HA 0.511 4.841 4.320 0.018 0.000 0.281 719 K C 0.332 176.928 176.600 -0.005 0.000 1.054 719 K CA -0.336 55.947 56.287 -0.007 0.000 0.903 719 K CB 0.361 32.863 32.500 0.004 0.000 1.077 719 K HN 0.655 nan 8.250 nan 0.000 0.474 720 T N 0.509 115.059 114.554 -0.007 0.000 2.950 720 T HA 0.578 4.939 4.350 0.018 0.000 0.288 720 T C 0.631 175.330 174.700 -0.001 0.000 1.035 720 T CA -0.382 61.715 62.100 -0.004 0.000 1.028 720 T CB 1.512 70.376 68.868 -0.007 0.000 1.109 720 T HN 0.904 nan 8.240 nan 0.000 0.514 721 G N 0.847 109.648 108.800 0.000 0.000 2.314 721 G HA2 -0.180 3.791 3.960 0.018 0.000 0.292 721 G HA3 -0.180 3.791 3.960 0.018 0.000 0.292 721 G C -0.138 174.764 174.900 0.004 0.000 1.059 721 G CA -0.024 45.077 45.100 0.002 0.000 0.982 721 G HN 0.864 nan 8.290 nan 0.000 0.505 722 L N 0.286 121.513 121.223 0.007 0.000 2.397 722 L HA 0.489 4.840 4.340 0.018 0.000 0.271 722 L C 0.361 177.237 176.870 0.012 0.000 1.148 722 L CA 0.030 54.876 54.840 0.010 0.000 0.825 722 L CB 1.359 43.426 42.059 0.013 0.000 1.117 722 L HN 0.227 nan 8.230 nan 0.000 0.456 723 S N 2.852 118.559 115.700 0.013 0.000 2.756 723 S HA 0.357 4.837 4.470 0.018 0.000 0.303 723 S C -0.817 173.794 174.600 0.018 0.000 1.135 723 S CA -0.414 57.795 58.200 0.014 0.000 1.066 723 S CB 1.852 65.058 63.200 0.010 0.000 1.008 723 S HN 0.370 nan 8.310 nan 0.000 0.482 724 V N 4.029 123.957 119.914 0.023 0.000 2.495 724 V HA 0.865 4.996 4.120 0.018 0.000 0.298 724 V C 0.668 176.781 176.094 0.032 0.000 1.031 724 V CA -0.235 62.084 62.300 0.031 0.000 0.871 724 V CB 1.247 33.095 31.823 0.041 0.000 0.988 724 V HN 0.874 nan 8.190 nan 0.000 0.432 725 G N 4.422 113.243 108.800 0.034 0.000 2.631 725 G HA2 0.561 4.531 3.960 0.018 0.000 0.271 725 G HA3 0.561 4.531 3.960 0.018 0.000 0.271 725 G C 0.156 175.084 174.900 0.046 0.000 1.302 725 G CA -0.060 45.061 45.100 0.034 0.000 1.002 725 G HN 1.482 nan 8.290 nan 0.000 0.519 726 A N -1.466 121.381 122.820 0.046 0.000 2.286 726 A HA 0.598 4.929 4.320 0.018 0.000 0.286 726 A C 0.760 178.397 177.584 0.089 0.000 1.097 726 A CA -0.393 51.674 52.037 0.050 0.000 0.821 726 A CB 0.106 19.124 19.000 0.030 0.000 1.076 726 A HN 1.476 nan 8.150 nan 0.000 0.490 727 L N -0.205 121.070 121.223 0.087 0.000 3.597 727 L HA -0.243 4.108 4.340 0.018 0.000 0.440 727 L C 1.016 178.010 176.870 0.207 0.000 1.277 727 L CA 0.665 55.579 54.840 0.122 0.000 0.852 727 L CB -2.078 40.065 42.059 0.140 0.000 1.708 727 L HN 2.053 nan 8.230 nan 0.000 0.885 728 G N -1.602 107.304 108.800 0.176 0.000 2.165 728 G HA2 0.065 4.036 3.960 0.018 0.000 0.226 728 G HA3 0.065 4.036 3.960 0.018 0.000 0.226 728 G C 0.301 175.391 174.900 0.317 0.000 1.035 728 G CA 0.062 45.306 45.100 0.240 0.000 0.744 728 G HN 1.280 nan 8.290 nan 0.000 0.501 729 A N -0.286 122.648 122.820 0.189 0.000 2.287 729 A HA 0.855 5.186 4.320 0.018 0.000 0.273 729 A C 0.565 178.215 177.584 0.110 0.000 1.091 729 A CA 0.531 52.641 52.037 0.122 0.000 0.817 729 A CB 0.664 19.709 19.000 0.076 0.000 1.069 729 A HN 1.275 nan 8.150 nan 0.000 0.492 730 K N -0.701 119.748 120.400 0.081 0.000 2.400 730 K HA 0.831 5.162 4.320 0.018 0.000 0.246 730 K C -1.026 175.604 176.600 0.050 0.000 0.995 730 K CA -0.574 55.758 56.287 0.076 0.000 0.840 730 K CB 2.317 34.867 32.500 0.085 0.000 1.293 730 K HN 1.035 nan 8.250 nan 0.000 0.445 731 A N 1.179 124.026 122.820 0.045 0.000 2.459 731 A HA 0.465 4.796 4.320 0.018 0.000 0.296 731 A C -0.920 176.680 177.584 0.026 0.000 1.039 731 A CA -0.816 51.240 52.037 0.030 0.000 0.698 731 A CB 1.555 20.571 19.000 0.026 0.000 1.261 731 A HN 0.655 nan 8.150 nan 0.000 0.405 732 T N 1.827 116.391 114.554 0.017 0.000 2.884 732 T HA 0.466 4.827 4.350 0.018 0.000 0.298 732 T C 1.355 176.062 174.700 0.012 0.000 0.998 732 T CA 0.366 62.472 62.100 0.009 0.000 1.124 732 T CB 1.579 70.445 68.868 -0.002 0.000 0.931 732 T HN 1.074 nan 8.240 nan 0.000 0.531 733 A N 2.691 125.519 122.820 0.015 0.000 1.993 733 A HA 0.604 4.935 4.320 0.018 0.000 0.207 733 A C 0.640 178.239 177.584 0.026 0.000 1.224 733 A CA 0.129 52.178 52.037 0.020 0.000 0.749 733 A CB 0.492 19.507 19.000 0.025 0.000 0.884 733 A HN 0.650 nan 8.150 nan 0.000 0.467 734 V N -0.601 119.331 119.914 0.030 0.000 3.022 734 V HA 0.315 4.446 4.120 0.018 0.000 0.272 734 V C -1.464 174.643 176.094 0.021 0.000 1.584 734 V CA -0.535 61.790 62.300 0.042 0.000 0.974 734 V CB 1.909 33.788 31.823 0.093 0.000 1.219 734 V HN 0.195 nan 8.190 nan 0.000 0.450 735 T N 5.113 119.665 114.554 -0.003 0.000 2.729 735 T HA 0.407 4.768 4.350 0.018 0.000 0.296 735 T C -0.080 174.592 174.700 -0.046 0.000 0.928 735 T CA -0.167 61.904 62.100 -0.050 0.000 1.045 735 T CB 0.927 69.757 68.868 -0.063 0.000 0.902 735 T HN 0.634 nan 8.240 nan 0.000 0.500 736 V N 7.981 127.847 119.914 -0.080 0.000 2.493 736 V HA 0.132 4.263 4.120 0.018 0.000 0.292 736 V C -1.457 174.505 176.094 -0.220 0.000 1.016 736 V CA -1.410 60.759 62.300 -0.219 0.000 1.097 736 V CB -0.457 31.252 31.823 -0.188 0.000 0.947 736 V HN 0.715 nan 8.190 nan 0.000 0.479 737 P HA 0.258 nan 4.420 nan 0.000 0.274 737 P C -0.402 176.790 177.300 -0.179 0.000 1.237 737 P CA -0.448 62.554 63.100 -0.163 0.000 0.793 737 P CB 0.803 32.443 31.700 -0.101 0.000 0.977 738 A N 2.170 124.922 122.820 -0.113 0.000 2.515 738 A HA 0.250 4.581 4.320 0.018 0.000 0.263 738 A C 0.219 177.732 177.584 -0.118 0.000 1.096 738 A CA 0.051 52.027 52.037 -0.103 0.000 0.769 738 A CB -0.828 18.132 19.000 -0.067 0.000 1.040 738 A HN 0.358 nan 8.150 nan 0.000 0.505 739 V N 3.849 123.668 119.914 -0.158 0.000 2.483 739 V HA 0.457 4.588 4.120 0.018 0.000 0.295 739 V C 0.703 176.713 176.094 -0.140 0.000 1.035 739 V CA -0.044 62.166 62.300 -0.149 0.000 0.896 739 V CB 1.789 33.498 31.823 -0.190 0.000 0.986 739 V HN 1.077 nan 8.190 nan 0.000 0.447 740 S N 2.676 118.318 115.700 -0.096 0.000 2.646 740 S HA 0.683 5.164 4.470 0.018 0.000 0.276 740 S C 0.982 175.531 174.600 -0.084 0.000 1.222 740 S CA 0.160 58.311 58.200 -0.083 0.000 1.014 740 S CB 1.437 64.606 63.200 -0.051 0.000 0.991 740 S HN 2.146 nan 8.310 nan 0.000 0.533 741 G N 0.292 109.048 108.800 -0.074 0.000 2.148 741 G HA2 -0.215 3.756 3.960 0.018 0.000 0.254 741 G HA3 -0.215 3.756 3.960 0.018 0.000 0.254 741 G C -0.145 174.709 174.900 -0.077 0.000 0.981 741 G CA 0.160 45.225 45.100 -0.057 0.000 0.670 741 G HN 0.753 nan 8.290 nan 0.000 0.528 742 L N 2.020 123.155 121.223 -0.147 0.000 2.380 742 L HA 0.422 4.773 4.340 0.018 0.000 0.273 742 L C 1.498 178.309 176.870 -0.099 0.000 1.138 742 L CA -0.020 54.690 54.840 -0.217 0.000 0.832 742 L CB 1.000 42.713 42.059 -0.577 0.000 1.124 742 L HN 0.420 nan 8.230 nan 0.000 0.454 743 S N 0.764 116.463 115.700 -0.002 0.000 2.573 743 S HA 0.007 4.488 4.470 0.018 0.000 0.277 743 S C 1.256 175.931 174.600 0.126 0.000 1.346 743 S CA -0.461 57.779 58.200 0.067 0.000 1.034 743 S CB 0.854 64.112 63.200 0.096 0.000 0.879 743 S HN 0.706 nan 8.310 nan 0.000 0.528 744 T N 1.585 116.202 114.554 0.105 0.000 2.653 744 T HA -0.094 4.266 4.350 0.018 0.000 0.268 744 T C 0.775 175.586 174.700 0.184 0.000 1.035 744 T CA 1.838 64.011 62.100 0.121 0.000 1.154 744 T CB -0.546 68.368 68.868 0.077 0.000 0.862 744 T HN 0.786 nan 8.240 nan 0.000 0.441 745 T N 2.101 116.748 114.554 0.156 0.000 2.794 745 T HA 0.598 4.959 4.350 0.018 0.000 0.280 745 T C -0.863 173.962 174.700 0.207 0.000 0.987 745 T CA -0.800 61.375 62.100 0.126 0.000 0.993 745 T CB 0.893 69.780 68.868 0.031 0.000 0.939 745 T HN 0.477 nan 8.240 nan 0.000 0.449 746 Y N 0.769 121.094 120.300 0.042 0.000 2.625 746 Y HA 0.801 5.361 4.550 0.017 0.000 0.338 746 Y C -1.885 174.070 175.900 0.092 0.000 1.123 746 Y CA -1.759 56.378 58.100 0.061 0.000 1.046 746 Y CB 1.057 39.551 38.460 0.057 0.000 1.299 746 Y HN 0.426 nan 8.280 nan 0.000 0.464 747 L N 2.278 123.638 121.223 0.229 0.000 2.334 747 L HA 0.956 5.307 4.340 0.018 0.000 0.270 747 L C -0.411 176.615 176.870 0.260 0.000 1.018 747 L CA -1.391 53.572 54.840 0.204 0.000 0.811 747 L CB 1.945 44.199 42.059 0.324 0.000 1.271 747 L HN 0.920 nan 8.230 nan 0.000 0.443 748 A N 1.802 124.732 122.820 0.183 0.000 2.356 748 A HA 0.570 4.901 4.320 0.018 0.000 0.310 748 A C -0.915 176.803 177.584 0.224 0.000 1.075 748 A CA -0.599 51.513 52.037 0.125 0.000 0.746 748 A CB 1.467 20.352 19.000 -0.192 0.000 1.221 748 A HN 0.638 nan 8.150 nan 0.000 0.443 749 K N 3.216 123.713 120.400 0.161 0.000 2.521 749 K HA 0.249 4.580 4.320 0.018 0.000 0.248 749 K C -1.088 175.558 176.600 0.076 0.000 0.978 749 K CA -0.185 56.156 56.287 0.090 0.000 0.947 749 K CB 0.322 32.685 32.500 -0.229 0.000 1.165 749 K HN 0.878 nan 8.250 nan 0.000 0.445 750 N N 2.250 121.033 118.700 0.138 0.000 2.472 750 N HA 0.243 4.994 4.740 0.018 0.000 0.277 750 N C -1.173 174.382 175.510 0.076 0.000 1.081 750 N CA -0.590 52.525 53.050 0.109 0.000 0.973 750 N CB 1.797 40.374 38.487 0.151 0.000 1.105 750 N HN 0.100 nan 8.380 nan 0.000 0.470 751 V N 2.921 122.862 119.914 0.044 0.000 2.709 751 V HA 0.460 4.591 4.120 0.018 0.000 0.308 751 V C -0.826 175.283 176.094 0.025 0.000 1.062 751 V CA -0.737 61.584 62.300 0.036 0.000 0.901 751 V CB 1.949 33.786 31.823 0.024 0.000 1.003 751 V HN 0.426 nan 8.190 nan 0.000 0.425 752 L N 4.521 125.760 121.223 0.027 0.000 2.410 752 L HA 0.872 5.223 4.340 0.018 0.000 0.270 752 L C -0.047 176.839 176.870 0.025 0.000 0.983 752 L CA 0.230 55.083 54.840 0.022 0.000 0.822 752 L CB 2.397 44.467 42.059 0.019 0.000 1.285 752 L HN 0.894 nan 8.230 nan 0.000 0.409 753 T N -0.316 114.250 114.554 0.020 0.000 2.876 753 T HA 0.672 5.033 4.350 0.018 0.000 0.289 753 T C -0.675 174.035 174.700 0.016 0.000 1.014 753 T CA -0.911 61.201 62.100 0.019 0.000 0.986 753 T CB 1.472 70.349 68.868 0.015 0.000 1.021 753 T HN 0.581 nan 8.240 nan 0.000 0.458 754 D N 0.914 121.323 120.400 0.016 0.000 2.354 754 D HA 0.208 4.858 4.640 0.018 0.000 0.247 754 D C 1.493 177.798 176.300 0.009 0.000 1.138 754 D CA -0.452 53.555 54.000 0.013 0.000 0.958 754 D CB 0.724 41.531 40.800 0.012 0.000 1.144 754 D HN 0.518 nan 8.370 nan 0.000 0.458 755 S N -0.452 115.253 115.700 0.007 0.000 2.528 755 S HA -0.190 4.290 4.470 0.018 0.000 0.244 755 S C 1.405 176.007 174.600 0.004 0.000 0.982 755 S CA 0.788 58.991 58.200 0.005 0.000 0.953 755 S CB -0.868 62.333 63.200 0.003 0.000 0.754 755 S HN 0.569 nan 8.310 nan 0.000 0.529 756 S N -0.632 115.070 115.700 0.004 0.000 2.577 756 S HA 0.600 5.080 4.470 0.018 0.000 0.219 756 S C 1.341 175.944 174.600 0.006 0.000 0.962 756 S CA 0.325 58.528 58.200 0.004 0.000 0.921 756 S CB -0.128 63.074 63.200 0.003 0.000 0.789 756 S HN 1.186 nan 8.310 nan 0.000 0.497 757 G N 2.015 110.820 108.800 0.007 0.000 3.700 757 G HA2 -0.255 3.715 3.960 0.018 0.000 0.211 757 G HA3 -0.255 3.715 3.960 0.018 0.000 0.211 757 G C -0.114 174.794 174.900 0.013 0.000 1.777 757 G CA -0.280 44.825 45.100 0.009 0.000 1.460 757 G HN 0.648 nan 8.290 nan 0.000 0.615 758 K N 2.391 122.800 120.400 0.014 0.000 2.408 758 K HA -0.158 4.173 4.320 0.018 0.000 0.247 758 K C 0.296 176.909 176.600 0.022 0.000 1.048 758 K CA 1.202 57.500 56.287 0.017 0.000 1.139 758 K CB -0.062 32.447 32.500 0.015 0.000 0.732 758 K HN 0.584 nan 8.250 nan 0.000 0.474 759 E N 3.995 124.211 120.200 0.027 0.000 2.166 759 E HA 0.015 4.375 4.350 0.018 0.000 0.279 759 E C 0.919 177.542 176.600 0.038 0.000 1.095 759 E CA -0.257 56.163 56.400 0.033 0.000 0.888 759 E CB 0.640 30.363 29.700 0.039 0.000 1.041 759 E HN 0.506 nan 8.360 nan 0.000 0.414 760 V N 1.107 121.045 119.914 0.040 0.000 3.307 760 V HA 0.248 4.379 4.120 0.018 0.000 0.253 760 V C 0.491 176.625 176.094 0.066 0.000 1.149 760 V CA 0.344 62.672 62.300 0.046 0.000 1.112 760 V CB 0.838 32.685 31.823 0.040 0.000 0.777 760 V HN 0.356 nan 8.190 nan 0.000 0.464 761 S N 0.481 116.222 115.700 0.069 0.000 2.543 761 S HA 0.662 5.143 4.470 0.018 0.000 0.271 761 S C -0.980 173.668 174.600 0.079 0.000 1.148 761 S CA -0.771 57.485 58.200 0.094 0.000 0.914 761 S CB 1.814 65.067 63.200 0.087 0.000 1.096 761 S HN 0.774 nan 8.310 nan 0.000 0.471 762 R N 3.116 123.680 120.500 0.106 0.000 2.574 762 R HA 0.583 4.933 4.340 0.018 0.000 0.288 762 R C -2.031 174.358 176.300 0.147 0.000 1.004 762 R CA -0.551 55.616 56.100 0.111 0.000 0.895 762 R CB 1.344 31.709 30.300 0.108 0.000 1.191 762 R HN 0.594 nan 8.270 nan 0.000 0.444 763 N N 3.131 121.927 118.700 0.160 0.000 2.454 763 N HA 0.309 5.060 4.740 0.018 0.000 0.291 763 N C -1.946 173.689 175.510 0.209 0.000 1.079 763 N CA -0.365 52.793 53.050 0.181 0.000 0.893 763 N CB 2.406 41.004 38.487 0.185 0.000 1.512 763 N HN 0.322 nan 8.380 nan 0.000 0.497 764 V N 4.357 124.380 119.914 0.182 0.000 2.409 764 V HA 0.478 4.609 4.120 0.018 0.000 0.291 764 V C -0.822 175.359 176.094 0.144 0.000 1.020 764 V CA -0.572 61.906 62.300 0.296 0.000 0.848 764 V CB 0.679 32.780 31.823 0.463 0.000 0.990 764 V HN 0.515 nan 8.190 nan 0.000 0.430 765 Y N 2.897 123.268 120.300 0.117 0.000 2.387 765 Y HA 0.574 5.134 4.550 0.017 0.000 0.330 765 Y C -0.092 175.825 175.900 0.030 0.000 1.133 765 Y CA -0.636 57.398 58.100 -0.110 0.000 1.152 765 Y CB 1.648 39.896 38.460 -0.354 0.000 1.215 765 Y HN 0.791 nan 8.280 nan 0.000 0.466 766 W N 3.686 125.029 121.300 0.072 0.000 2.318 766 W HA 0.796 5.470 4.660 0.022 0.000 0.315 766 W C -2.217 174.211 176.519 -0.152 0.000 1.033 766 W CA -0.901 56.374 57.345 -0.117 0.000 1.275 766 W CB 0.077 29.444 29.460 -0.155 0.000 1.250 766 W HN 0.210 nan 8.180 nan 0.000 0.421 767 L N 3.080 124.094 121.223 -0.348 0.000 2.271 767 L HA 0.794 5.145 4.340 0.018 0.000 0.265 767 L C 0.161 176.790 176.870 -0.402 0.000 1.013 767 L CA -1.212 53.341 54.840 -0.479 0.000 0.820 767 L CB 2.048 43.609 42.059 -0.829 0.000 1.352 767 L HN 0.503 nan 8.230 nan 0.000 0.443 768 S N -1.791 113.849 115.700 -0.101 0.000 2.575 768 S HA 0.243 4.724 4.470 0.018 0.000 0.278 768 S C 0.577 175.342 174.600 0.275 0.000 1.139 768 S CA -0.072 58.207 58.200 0.132 0.000 0.954 768 S CB 1.481 64.720 63.200 0.064 0.000 1.054 768 S HN 0.772 nan 8.310 nan 0.000 0.483 769 T N 1.223 115.968 114.554 0.319 0.000 2.996 769 T HA 0.010 4.371 4.350 0.018 0.000 0.271 769 T C 0.628 175.393 174.700 0.109 0.000 1.126 769 T CA 0.962 63.167 62.100 0.175 0.000 1.103 769 T CB -0.339 68.576 68.868 0.079 0.000 0.870 769 T HN 0.516 nan 8.240 nan 0.000 0.528 770 K N 1.228 121.690 120.400 0.104 0.000 2.172 770 K HA 0.625 4.956 4.320 0.018 0.000 0.276 770 K C -0.657 175.988 176.600 0.075 0.000 1.013 770 K CA -0.654 55.679 56.287 0.077 0.000 0.913 770 K CB 1.209 33.753 32.500 0.073 0.000 1.055 770 K HN 0.294 nan 8.250 nan 0.000 0.461 771 A N 3.539 126.392 122.820 0.056 0.000 2.312 771 A HA 0.279 4.610 4.320 0.018 0.000 0.328 771 A C -0.833 176.757 177.584 0.010 0.000 1.158 771 A CA -0.785 51.277 52.037 0.042 0.000 0.821 771 A CB 0.614 19.635 19.000 0.035 0.000 1.170 771 A HN 0.766 nan 8.150 nan 0.000 0.490 772 D N 2.029 122.425 120.400 -0.006 0.000 2.383 772 D HA 0.369 5.020 4.640 0.018 0.000 0.252 772 D C 0.238 176.472 176.300 -0.110 0.000 1.166 772 D CA 0.957 54.910 54.000 -0.078 0.000 0.879 772 D CB 1.078 41.844 40.800 -0.056 0.000 1.164 772 D HN 0.645 nan 8.370 nan 0.000 0.462 773 T N -0.664 113.777 114.554 -0.188 0.000 2.906 773 T HA 0.642 5.003 4.350 0.018 0.000 0.295 773 T C -0.273 174.233 174.700 -0.323 0.000 1.061 773 T CA -0.947 61.039 62.100 -0.189 0.000 1.000 773 T CB 1.178 69.977 68.868 -0.114 0.000 1.103 773 T HN 0.105 nan 8.240 nan 0.000 0.486 774 L N 2.699 123.663 121.223 -0.431 0.000 2.282 774 L HA 0.480 4.830 4.340 0.018 0.000 0.288 774 L C 0.446 176.943 176.870 -0.621 0.000 1.033 774 L CA -0.887 53.511 54.840 -0.737 0.000 0.807 774 L CB 1.191 42.361 42.059 -1.482 0.000 1.209 774 L HN 0.722 nan 8.230 nan 0.000 0.423 775 N N 2.254 120.692 118.700 -0.436 0.000 2.895 775 N HA 0.011 4.762 4.740 0.018 0.000 0.277 775 N C 0.571 175.945 175.510 -0.227 0.000 1.185 775 N CA -0.108 52.797 53.050 -0.242 0.000 1.106 775 N CB 0.087 38.485 38.487 -0.149 0.000 1.422 775 N HN 0.500 nan 8.380 nan 0.000 0.521 776 W N 1.707 122.954 121.300 -0.087 0.000 2.331 776 W HA -0.071 4.601 4.660 0.020 0.000 0.291 776 W C 2.224 178.695 176.519 -0.081 0.000 1.214 776 W CA 0.904 58.195 57.345 -0.090 0.000 1.228 776 W CB -0.230 29.181 29.460 -0.080 0.000 1.135 776 W HN 0.545 nan 8.180 nan 0.000 0.537 777 G N -0.332 108.550 108.800 0.137 0.000 2.534 777 G HA2 -0.046 3.924 3.960 0.018 0.000 0.217 777 G HA3 -0.046 3.924 3.960 0.018 0.000 0.217 777 G C 1.554 176.467 174.900 0.021 0.000 1.128 777 G CA 0.824 45.968 45.100 0.074 0.000 0.784 777 G HN 0.385 nan 8.290 nan 0.000 0.542 778 G N 0.051 108.833 108.800 -0.031 0.000 3.189 778 G HA2 0.289 4.259 3.960 0.018 0.000 0.225 778 G HA3 0.289 4.259 3.960 0.018 0.000 0.225 778 G C 0.593 175.395 174.900 -0.163 0.000 1.159 778 G CA -0.034 45.024 45.100 -0.070 0.000 0.763 778 G HN 0.273 nan 8.290 nan 0.000 0.549 779 S N 0.743 116.354 115.700 -0.149 0.000 2.558 779 S HA 0.159 4.640 4.470 0.018 0.000 0.293 779 S C -0.079 174.420 174.600 -0.168 0.000 1.292 779 S CA 0.177 58.246 58.200 -0.218 0.000 1.063 779 S CB 1.096 64.278 63.200 -0.031 0.000 0.831 779 S HN 0.418 nan 8.310 nan 0.000 0.499 780 D N 0.689 120.908 120.400 -0.303 0.000 2.467 780 D HA 0.314 4.965 4.640 0.018 0.000 0.245 780 D C 1.173 177.428 176.300 -0.074 0.000 1.038 780 D CA -0.913 53.013 54.000 -0.124 0.000 1.038 780 D CB 0.483 41.169 40.800 -0.189 0.000 1.278 780 D HN 0.669 nan 8.370 nan 0.000 0.564 781 W N 1.336 122.707 121.300 0.117 0.000 2.421 781 W HA -0.163 4.509 4.660 0.020 0.000 0.270 781 W C 0.523 177.226 176.519 0.307 0.000 1.233 781 W CA 0.657 58.133 57.345 0.217 0.000 1.226 781 W CB -0.939 28.696 29.460 0.292 0.000 1.121 781 W HN 0.444 nan 8.180 nan 0.000 0.579 782 Y N -0.746 119.313 120.300 -0.401 0.000 2.531 782 Y HA 0.445 5.005 4.550 0.017 0.000 0.249 782 Y C -0.300 175.640 175.900 0.067 0.000 1.168 782 Y CA -1.164 56.758 58.100 -0.296 0.000 1.226 782 Y CB -1.019 36.928 38.460 -0.855 0.000 1.177 782 Y HN 0.084 nan 8.280 nan 0.000 0.527 783 Y N -2.526 117.474 120.300 -0.499 0.000 2.889 783 Y HA 0.604 5.165 4.550 0.018 0.000 0.379 783 Y C -1.860 173.853 175.900 -0.312 0.000 1.179 783 Y CA -1.461 56.405 58.100 -0.389 0.000 1.178 783 Y CB 0.728 39.010 38.460 -0.297 0.000 1.460 783 Y HN -0.172 nan 8.280 nan 0.000 0.472 784 T N 4.527 118.708 114.554 -0.622 0.000 2.840 784 T HA 0.473 4.834 4.350 0.018 0.000 0.287 784 T C -2.962 171.345 174.700 -0.654 0.000 0.991 784 T CA -1.462 60.236 62.100 -0.670 0.000 0.964 784 T CB 1.715 70.410 68.868 -0.288 0.000 0.954 784 T HN 0.466 nan 8.240 nan 0.000 0.438 785 P HA 0.228 nan 4.420 nan 0.000 0.274 785 P C -0.698 176.451 177.300 -0.252 0.000 1.237 785 P CA -0.550 62.409 63.100 -0.236 0.000 0.793 785 P CB 0.897 32.512 31.700 -0.143 0.000 0.977 786 Q N -0.032 119.649 119.800 -0.197 0.000 2.230 786 Q HA 0.238 4.588 4.340 0.018 0.000 0.248 786 Q C 1.171 176.988 176.000 -0.304 0.000 0.915 786 Q CA -0.346 55.207 55.803 -0.417 0.000 0.900 786 Q CB 1.199 29.397 28.738 -0.901 0.000 1.229 786 Q HN 0.485 nan 8.270 nan 0.000 0.439 787 S N 0.330 115.857 115.700 -0.289 0.000 2.460 787 S HA 0.310 4.790 4.470 0.018 0.000 0.226 787 S C 0.535 175.062 174.600 -0.121 0.000 1.057 787 S CA 0.079 58.192 58.200 -0.144 0.000 0.948 787 S CB 0.432 63.568 63.200 -0.106 0.000 0.822 787 S HN 0.572 nan 8.310 nan 0.000 0.512 788 A N 0.585 123.273 122.820 -0.220 0.000 2.380 788 A HA 0.785 5.115 4.320 0.018 0.000 0.315 788 A C -1.322 176.070 177.584 -0.320 0.000 1.101 788 A CA -0.730 51.236 52.037 -0.118 0.000 0.771 788 A CB 0.859 19.836 19.000 -0.038 0.000 1.287 788 A HN 0.303 nan 8.150 nan 0.000 0.436 789 F N 0.637 120.592 119.950 0.009 0.000 2.522 789 F HA 0.649 5.190 4.527 0.024 0.000 0.324 789 F C 0.889 176.692 175.800 0.005 0.000 1.077 789 F CA -0.204 57.803 58.000 0.011 0.000 0.944 789 F CB 2.014 41.018 39.000 0.007 0.000 1.175 789 F HN 0.760 nan 8.300 nan 0.000 0.468 790 A N 0.870 123.789 122.820 0.166 0.000 2.346 790 A HA 0.358 4.688 4.320 0.018 0.000 0.252 790 A C -0.677 176.947 177.584 0.067 0.000 1.089 790 A CA -0.200 51.892 52.037 0.090 0.000 0.797 790 A CB 0.159 19.189 19.000 0.049 0.000 1.047 790 A HN 0.672 nan 8.150 nan 0.000 0.494 791 D N 0.972 121.392 120.400 0.033 0.000 2.462 791 D HA 0.441 5.092 4.640 0.018 0.000 0.249 791 D C -0.203 176.077 176.300 -0.033 0.000 1.117 791 D CA -0.095 53.909 54.000 0.007 0.000 0.900 791 D CB 0.312 41.135 40.800 0.038 0.000 1.039 791 D HN 0.332 nan 8.370 nan 0.000 0.516 792 L N 2.196 123.341 121.223 -0.130 0.000 2.818 792 L HA 0.110 4.460 4.340 0.018 0.000 0.243 792 L C 1.937 178.754 176.870 -0.088 0.000 1.185 792 L CA -0.084 54.658 54.840 -0.163 0.000 0.988 792 L CB 0.147 41.965 42.059 -0.401 0.000 1.292 792 L HN 0.242 nan 8.230 nan 0.000 0.519 793 S N -0.929 114.759 115.700 -0.020 0.000 2.481 793 S HA -0.073 4.408 4.470 0.018 0.000 0.231 793 S C 2.089 176.729 174.600 0.066 0.000 0.996 793 S CA 0.690 58.922 58.200 0.055 0.000 0.942 793 S CB -0.439 62.793 63.200 0.052 0.000 0.768 793 S HN 0.451 nan 8.310 nan 0.000 0.520 794 G N 2.305 111.127 108.800 0.036 0.000 2.485 794 G HA2 -0.132 3.839 3.960 0.018 0.000 0.221 794 G HA3 -0.132 3.839 3.960 0.018 0.000 0.221 794 G C 1.304 176.229 174.900 0.042 0.000 1.115 794 G CA 0.948 46.071 45.100 0.038 0.000 0.751 794 G HN 0.552 nan 8.290 nan 0.000 0.567 795 L N 0.130 121.366 121.223 0.022 0.000 2.131 795 L HA -0.116 4.235 4.340 0.018 0.000 0.210 795 L C 2.608 179.696 176.870 0.364 0.000 1.092 795 L CA 1.232 56.093 54.840 0.035 0.000 0.759 795 L CB -0.547 41.369 42.059 -0.237 0.000 0.903 795 L HN 0.240 nan 8.230 nan 0.000 0.435 796 N N 0.057 118.940 118.700 0.305 0.000 2.258 796 N HA -0.186 4.564 4.740 0.018 0.000 0.187 796 N C 1.177 176.776 175.510 0.148 0.000 1.012 796 N CA 1.245 54.440 53.050 0.242 0.000 0.870 796 N CB -0.069 38.508 38.487 0.149 0.000 0.977 796 N HN 0.374 nan 8.380 nan 0.000 0.434 797 N N 0.063 118.838 118.700 0.125 0.000 2.184 797 N HA 0.056 4.807 4.740 0.018 0.000 0.206 797 N C -0.277 175.274 175.510 0.069 0.000 1.151 797 N CA -0.252 52.843 53.050 0.075 0.000 0.878 797 N CB 0.418 38.937 38.487 0.053 0.000 1.014 797 N HN 0.140 nan 8.380 nan 0.000 0.512 798 L N 2.108 123.391 121.223 0.099 0.000 2.578 798 L HA 0.117 4.468 4.340 0.018 0.000 0.279 798 L C 0.941 177.844 176.870 0.056 0.000 1.227 798 L CA 0.184 55.061 54.840 0.062 0.000 0.900 798 L CB 0.139 42.234 42.059 0.060 0.000 1.144 798 L HN 0.073 nan 8.230 nan 0.000 0.496 799 G N 4.008 112.820 108.800 0.020 0.000 2.527 799 G HA2 0.186 4.157 3.960 0.018 0.000 0.248 799 G HA3 0.186 4.157 3.960 0.018 0.000 0.248 799 G C -0.390 174.511 174.900 0.002 0.000 1.231 799 G CA -0.659 44.446 45.100 0.008 0.000 0.838 799 G HN 0.681 nan 8.290 nan 0.000 0.570 800 Q N -0.317 119.478 119.800 -0.009 0.000 2.386 800 Q HA 0.221 4.571 4.340 0.018 0.000 0.282 800 Q C 0.470 176.453 176.000 -0.028 0.000 1.050 800 Q CA 0.216 56.008 55.803 -0.019 0.000 0.918 800 Q CB 1.393 30.114 28.738 -0.028 0.000 1.266 800 Q HN 0.481 nan 8.270 nan 0.000 0.423 801 S N -0.546 115.134 115.700 -0.034 0.000 2.998 801 S HA 0.908 5.389 4.470 0.018 0.000 0.307 801 S C -1.632 172.942 174.600 -0.045 0.000 1.063 801 S CA 0.042 58.212 58.200 -0.050 0.000 0.895 801 S CB 1.483 64.635 63.200 -0.080 0.000 1.362 801 S HN 0.700 nan 8.310 nan 0.000 0.657 802 A N 0.030 122.821 122.820 -0.049 0.000 2.604 802 A HA 0.740 5.070 4.320 0.018 0.000 0.295 802 A C -1.377 176.180 177.584 -0.044 0.000 1.067 802 A CA -0.336 51.676 52.037 -0.042 0.000 0.683 802 A CB 1.289 20.270 19.000 -0.032 0.000 1.281 802 A HN 1.536 nan 8.150 nan 0.000 0.407 803 V N 0.313 120.201 119.914 -0.042 0.000 2.924 803 V HA 0.780 4.910 4.120 0.018 0.000 0.300 803 V C 0.097 176.171 176.094 -0.034 0.000 1.227 803 V CA 1.007 63.283 62.300 -0.040 0.000 0.954 803 V CB 1.591 33.382 31.823 -0.054 0.000 1.055 803 V HN 2.868 nan 8.190 nan 0.000 0.429 804 G N 3.921 112.707 108.800 -0.024 0.000 2.337 804 G HA2 0.470 4.441 3.960 0.018 0.000 0.134 804 G HA3 0.470 4.441 3.960 0.018 0.000 0.134 804 G C -0.122 174.769 174.900 -0.014 0.000 1.052 804 G CA -0.063 45.026 45.100 -0.018 0.000 0.737 804 G HN 2.195 nan 8.290 nan 0.000 0.485 805 A N -0.204 122.609 122.820 -0.011 0.000 2.374 805 A HA 0.959 5.289 4.320 0.018 0.000 0.305 805 A C -0.208 177.379 177.584 0.005 0.000 1.053 805 A CA -0.091 51.943 52.037 -0.004 0.000 0.726 805 A CB 2.144 21.137 19.000 -0.011 0.000 1.229 805 A HN 0.853 nan 8.150 nan 0.000 0.431 806 T N 0.806 115.369 114.554 0.015 0.000 2.952 806 T HA 0.760 5.121 4.350 0.018 0.000 0.305 806 T C -0.775 173.944 174.700 0.031 0.000 1.064 806 T CA 0.226 62.337 62.100 0.019 0.000 1.008 806 T CB 1.626 70.502 68.868 0.014 0.000 1.078 806 T HN 1.758 nan 8.240 nan 0.000 0.459 807 A N 3.362 126.202 122.820 0.033 0.000 2.520 807 A HA 0.843 5.174 4.320 0.018 0.000 0.298 807 A C -1.047 176.556 177.584 0.032 0.000 1.051 807 A CA -0.777 51.287 52.037 0.044 0.000 0.690 807 A CB 1.568 20.607 19.000 0.065 0.000 1.281 807 A HN 0.746 nan 8.150 nan 0.000 0.402 808 N N 0.182 118.898 118.700 0.027 0.000 2.647 808 N HA 0.712 5.462 4.740 0.018 0.000 0.266 808 N C -1.355 174.160 175.510 0.009 0.000 1.373 808 N CA -0.326 52.733 53.050 0.016 0.000 0.807 808 N CB 2.145 40.637 38.487 0.008 0.000 1.513 808 N HN 0.552 nan 8.380 nan 0.000 0.505 809 S N 0.258 115.957 115.700 -0.000 0.000 2.549 809 S HA 0.575 5.056 4.470 0.018 0.000 0.280 809 S C -1.170 173.407 174.600 -0.039 0.000 1.109 809 S CA -0.547 57.641 58.200 -0.019 0.000 0.905 809 S CB 2.034 65.237 63.200 0.006 0.000 1.081 809 S HN 0.332 nan 8.310 nan 0.000 0.477 810 V N 1.747 121.619 119.914 -0.070 0.000 2.531 810 V HA 0.746 4.876 4.120 0.018 0.000 0.301 810 V C -0.194 175.836 176.094 -0.106 0.000 1.034 810 V CA -0.777 61.479 62.300 -0.073 0.000 0.865 810 V CB 1.489 33.272 31.823 -0.067 0.000 0.995 810 V HN 1.023 nan 8.190 nan 0.000 0.424 811 A N 3.660 126.428 122.820 -0.087 0.000 2.260 811 A HA 0.782 5.113 4.320 0.018 0.000 0.308 811 A C 0.626 178.161 177.584 -0.081 0.000 1.254 811 A CA 0.128 52.106 52.037 -0.099 0.000 0.874 811 A CB 0.582 19.539 19.000 -0.072 0.000 1.153 811 A HN 1.068 nan 8.150 nan 0.000 0.527 812 G N 0.333 109.076 108.800 -0.094 0.000 2.599 812 G HA2 0.472 4.443 3.960 0.018 0.000 0.264 812 G HA3 0.472 4.443 3.960 0.018 0.000 0.264 812 G C 0.965 175.830 174.900 -0.058 0.000 1.200 812 G CA 0.103 45.160 45.100 -0.073 0.000 0.896 812 G HN 1.292 nan 8.290 nan 0.000 0.536 813 A N -0.107 122.686 122.820 -0.045 0.000 2.167 813 A HA 0.063 4.393 4.320 0.018 0.000 0.214 813 A C 1.673 179.237 177.584 -0.034 0.000 1.151 813 A CA 1.542 53.558 52.037 -0.035 0.000 0.735 813 A CB -0.122 18.861 19.000 -0.027 0.000 0.802 813 A HN 0.628 nan 8.150 nan 0.000 0.467 814 D N -1.224 119.152 120.400 -0.041 0.000 2.325 814 D HA 0.227 4.877 4.640 0.018 0.000 0.234 814 D C 1.089 177.362 176.300 -0.046 0.000 1.122 814 D CA 0.533 54.510 54.000 -0.039 0.000 0.850 814 D CB -0.897 39.878 40.800 -0.041 0.000 0.921 814 D HN 0.577 nan 8.370 nan 0.000 0.513 815 G N 0.398 109.168 108.800 -0.050 0.000 2.168 815 G HA2 -0.286 3.684 3.960 0.018 0.000 0.257 815 G HA3 -0.286 3.684 3.960 0.018 0.000 0.257 815 G C 0.447 175.303 174.900 -0.074 0.000 0.997 815 G CA 0.904 45.974 45.100 -0.051 0.000 0.708 815 G HN 0.825 nan 8.290 nan 0.000 0.520 816 T N -2.402 112.089 114.554 -0.106 0.000 2.943 816 T HA 0.729 5.090 4.350 0.018 0.000 0.284 816 T C -0.140 174.410 174.700 -0.251 0.000 1.015 816 T CA 0.123 62.119 62.100 -0.173 0.000 1.042 816 T CB 2.554 71.324 68.868 -0.164 0.000 1.055 816 T HN 0.291 nan 8.240 nan 0.000 0.500 817 T N 1.868 116.146 114.554 -0.461 0.000 2.841 817 T HA 0.593 4.953 4.350 0.018 0.000 0.283 817 T C -0.593 173.704 174.700 -0.672 0.000 1.000 817 T CA -0.565 61.205 62.100 -0.549 0.000 0.977 817 T CB 1.607 70.106 68.868 -0.614 0.000 0.979 817 T HN 0.776 nan 8.240 nan 0.000 0.446 818 T N 2.910 117.228 114.554 -0.393 0.000 2.786 818 T HA 0.491 4.851 4.350 0.018 0.000 0.283 818 T C -0.235 174.346 174.700 -0.199 0.000 0.992 818 T CA -0.490 61.428 62.100 -0.304 0.000 0.954 818 T CB 1.152 69.901 68.868 -0.199 0.000 0.934 818 T HN 0.477 nan 8.240 nan 0.000 0.440 819 T N 3.313 117.770 114.554 -0.161 0.000 2.758 819 T HA 0.446 4.806 4.350 0.018 0.000 0.285 819 T C 0.017 174.683 174.700 -0.056 0.000 0.981 819 T CA -0.419 61.648 62.100 -0.054 0.000 0.965 819 T CB 0.945 69.851 68.868 0.063 0.000 0.927 819 T HN 0.447 nan 8.240 nan 0.000 0.448 820 T N 3.283 117.833 114.554 -0.008 0.000 2.770 820 T HA 0.481 4.842 4.350 0.018 0.000 0.297 820 T C -0.371 174.369 174.700 0.066 0.000 0.997 820 T CA -0.432 61.683 62.100 0.025 0.000 0.949 820 T CB 1.017 69.891 68.868 0.009 0.000 0.941 820 T HN 0.423 nan 8.240 nan 0.000 0.457 821 V N 4.304 124.291 119.914 0.123 0.000 2.483 821 V HA 0.683 4.813 4.120 0.018 0.000 0.295 821 V C -0.364 175.783 176.094 0.088 0.000 1.035 821 V CA -0.201 62.173 62.300 0.122 0.000 0.896 821 V CB 1.939 33.875 31.823 0.189 0.000 0.986 821 V HN 0.878 nan 8.190 nan 0.000 0.447 822 T N 8.425 123.011 114.554 0.053 0.000 2.791 822 T HA 0.549 4.909 4.350 0.018 0.000 0.288 822 T C -0.442 174.269 174.700 0.018 0.000 0.999 822 T CA -0.184 61.936 62.100 0.035 0.000 0.952 822 T CB 0.684 69.568 68.868 0.027 0.000 0.938 822 T HN 0.558 nan 8.240 nan 0.000 0.444 823 L N 3.311 124.538 121.223 0.007 0.000 2.322 823 L HA 0.685 5.036 4.340 0.018 0.000 0.279 823 L C 0.088 176.955 176.870 -0.006 0.000 1.036 823 L CA -0.882 53.951 54.840 -0.012 0.000 0.807 823 L CB 1.563 43.598 42.059 -0.040 0.000 1.226 823 L HN 0.424 nan 8.230 nan 0.000 0.433 824 K N 1.763 122.157 120.400 -0.010 0.000 2.513 824 K HA 0.249 4.580 4.320 0.018 0.000 0.251 824 K C -0.967 175.626 176.600 -0.011 0.000 0.939 824 K CA -0.756 55.530 56.287 -0.002 0.000 0.793 824 K CB 1.658 34.161 32.500 0.005 0.000 1.241 824 K HN 0.432 nan 8.250 nan 0.000 0.431 825 N N 2.603 121.299 118.700 -0.006 0.000 2.402 825 N HA 0.001 4.751 4.740 0.018 0.000 0.259 825 N C 0.151 175.656 175.510 -0.008 0.000 1.167 825 N CA 0.186 53.225 53.050 -0.019 0.000 0.949 825 N CB 0.982 39.453 38.487 -0.027 0.000 1.212 825 N HN 0.700 nan 8.380 nan 0.000 0.493 826 T N -0.939 113.606 114.554 -0.014 0.000 3.086 826 T HA 0.059 4.420 4.350 0.018 0.000 0.250 826 T C 0.918 175.614 174.700 -0.007 0.000 1.074 826 T CA -0.322 61.774 62.100 -0.007 0.000 0.988 826 T CB -0.315 68.548 68.868 -0.009 0.000 0.988 826 T HN 0.387 nan 8.240 nan 0.000 0.530 827 S N 0.493 116.184 115.700 -0.014 0.000 2.593 827 S HA 0.493 4.974 4.470 0.018 0.000 0.269 827 S C 1.296 175.896 174.600 -0.000 0.000 1.334 827 S CA -0.202 57.990 58.200 -0.013 0.000 1.015 827 S CB 0.993 64.178 63.200 -0.026 0.000 0.912 827 S HN 0.379 nan 8.310 nan 0.000 0.541 828 G N 0.126 108.928 108.800 0.003 0.000 3.284 828 G HA2 0.500 4.470 3.960 0.018 0.000 0.236 828 G HA3 0.500 4.470 3.960 0.018 0.000 0.236 828 G C 0.512 175.423 174.900 0.018 0.000 1.158 828 G CA -0.070 45.038 45.100 0.012 0.000 0.774 828 G HN 0.963 nan 8.290 nan 0.000 0.545 829 G N 0.070 108.878 108.800 0.013 0.000 2.630 829 G HA2 0.431 4.401 3.960 0.018 0.000 0.223 829 G HA3 0.431 4.401 3.960 0.018 0.000 0.223 829 G C 0.521 175.445 174.900 0.040 0.000 1.434 829 G CA -0.726 44.386 45.100 0.021 0.000 1.057 829 G HN 0.216 nan 8.290 nan 0.000 0.570 830 R N -1.233 119.296 120.500 0.048 0.000 2.565 830 R HA 0.294 4.645 4.340 0.018 0.000 0.347 830 R C -0.168 176.160 176.300 0.047 0.000 1.010 830 R CA -0.206 55.950 56.100 0.093 0.000 1.126 830 R CB 0.283 30.664 30.300 0.135 0.000 1.331 830 R HN 0.176 nan 8.270 nan 0.000 0.552 831 L N 3.249 124.446 121.223 -0.044 0.000 2.326 831 L HA 0.376 4.727 4.340 0.018 0.000 0.278 831 L C -2.035 174.623 176.870 -0.354 0.000 1.092 831 L CA -2.076 52.669 54.840 -0.157 0.000 0.810 831 L CB 0.662 42.660 42.059 -0.102 0.000 1.153 831 L HN -0.199 nan 8.230 nan 0.000 0.439 832 P HA 0.149 nan 4.420 nan 0.000 0.276 832 P C -1.057 175.959 177.300 -0.473 0.000 1.244 832 P CA -0.603 61.895 63.100 -1.003 0.000 0.801 832 P CB 1.142 31.580 31.700 -2.105 0.000 1.006 833 A N 3.048 125.663 122.820 -0.342 0.000 2.415 833 A HA 0.389 4.720 4.320 0.018 0.000 0.309 833 A C -0.643 176.870 177.584 -0.120 0.000 1.356 833 A CA -0.358 51.581 52.037 -0.163 0.000 0.998 833 A CB -1.135 17.793 19.000 -0.122 0.000 1.145 833 A HN 0.503 nan 8.150 nan 0.000 0.545 834 F N 2.947 122.774 119.950 -0.205 0.000 2.420 834 F HA 0.475 5.011 4.527 0.014 0.000 0.342 834 F C 0.015 175.792 175.800 -0.039 0.000 1.113 834 F CA -1.031 56.860 58.000 -0.182 0.000 1.059 834 F CB 0.561 39.422 39.000 -0.231 0.000 1.128 834 F HN 0.646 nan 8.300 nan 0.000 0.475 835 Y N 4.039 123.751 120.300 -0.980 0.000 2.988 835 Y HA -0.172 4.390 4.550 0.019 0.000 0.193 835 Y C -1.189 174.421 175.900 -0.484 0.000 1.388 835 Y CA 0.366 57.916 58.100 -0.917 0.000 0.904 835 Y CB -1.182 36.448 38.460 -1.383 0.000 1.297 835 Y HN 0.405 nan 8.280 nan 0.000 0.432 836 V N 3.651 123.291 119.914 -0.457 0.000 2.432 836 V HA 0.239 4.370 4.120 0.018 0.000 0.271 836 V C 0.189 175.989 176.094 -0.490 0.000 1.046 836 V CA -0.071 62.017 62.300 -0.354 0.000 0.945 836 V CB 1.573 33.246 31.823 -0.250 0.000 0.992 836 V HN 0.472 nan 8.190 nan 0.000 0.471 837 D N 3.418 123.574 120.400 -0.406 0.000 2.481 837 D HA 0.428 5.079 4.640 0.018 0.000 0.246 837 D C -0.567 175.521 176.300 -0.352 0.000 1.109 837 D CA -0.148 53.582 54.000 -0.451 0.000 0.845 837 D CB 1.775 42.392 40.800 -0.306 0.000 1.160 837 D HN 0.468 nan 8.370 nan 0.000 0.534 838 S N 3.638 119.036 115.700 -0.504 0.000 2.475 838 S HA 0.604 5.084 4.470 0.018 0.000 0.298 838 S C -0.537 173.855 174.600 -0.347 0.000 1.119 838 S CA -0.929 57.026 58.200 -0.409 0.000 1.085 838 S CB 1.390 64.296 63.200 -0.489 0.000 1.028 838 S HN 0.256 nan 8.310 nan 0.000 0.489 839 K N 1.982 122.377 120.400 -0.009 0.000 2.507 839 K HA 0.346 4.676 4.320 0.018 0.000 0.252 839 K C -1.021 175.714 176.600 0.225 0.000 0.943 839 K CA -0.687 55.703 56.287 0.172 0.000 0.808 839 K CB 1.788 34.328 32.500 0.067 0.000 1.142 839 K HN 0.398 nan 8.250 nan 0.000 0.426 840 V N 3.321 123.411 119.914 0.294 0.000 2.493 840 V HA 0.071 4.201 4.120 0.018 0.000 0.292 840 V C 0.592 176.646 176.094 -0.068 0.000 1.016 840 V CA -0.330 61.980 62.300 0.017 0.000 1.097 840 V CB 0.211 31.853 31.823 -0.301 0.000 0.947 840 V HN 0.543 nan 8.190 nan 0.000 0.479 841 V N 1.786 121.665 119.914 -0.058 0.000 3.040 841 V HA 0.829 4.960 4.120 0.018 0.000 0.312 841 V C -0.510 175.544 176.094 -0.067 0.000 1.115 841 V CA -1.093 61.169 62.300 -0.062 0.000 0.998 841 V CB 2.199 34.004 31.823 -0.030 0.000 1.042 841 V HN 0.764 nan 8.190 nan 0.000 0.433 842 D N 1.231 121.594 120.400 -0.063 0.000 2.466 842 D HA 0.302 4.953 4.640 0.018 0.000 0.262 842 D C 1.400 177.681 176.300 -0.031 0.000 1.177 842 D CA 0.125 54.098 54.000 -0.045 0.000 1.035 842 D CB 0.947 41.719 40.800 -0.046 0.000 1.105 842 D HN 0.777 nan 8.370 nan 0.000 0.551 843 S N -1.051 114.635 115.700 -0.024 0.000 2.419 843 S HA -0.173 4.308 4.470 0.018 0.000 0.235 843 S C 1.842 176.427 174.600 -0.024 0.000 1.019 843 S CA 0.768 58.956 58.200 -0.020 0.000 0.982 843 S CB -0.871 62.320 63.200 -0.016 0.000 0.789 843 S HN 0.677 nan 8.310 nan 0.000 0.490 844 A N 0.914 123.716 122.820 -0.029 0.000 2.235 844 A HA 0.516 4.847 4.320 0.018 0.000 0.208 844 A C 1.863 179.426 177.584 -0.034 0.000 1.172 844 A CA 0.633 52.651 52.037 -0.032 0.000 0.786 844 A CB -1.325 17.653 19.000 -0.037 0.000 0.804 844 A HN 1.506 nan 8.150 nan 0.000 0.479 845 G N -0.807 107.973 108.800 -0.033 0.000 2.155 845 G HA2 -0.317 3.654 3.960 0.018 0.000 0.257 845 G HA3 -0.317 3.654 3.960 0.018 0.000 0.257 845 G C 0.266 175.144 174.900 -0.037 0.000 0.983 845 G CA 0.846 45.926 45.100 -0.032 0.000 0.676 845 G HN 0.741 nan 8.290 nan 0.000 0.528 846 K N 1.045 121.417 120.400 -0.046 0.000 2.174 846 K HA 0.585 4.916 4.320 0.018 0.000 0.275 846 K C -2.352 174.214 176.600 -0.058 0.000 1.015 846 K CA -2.132 54.122 56.287 -0.055 0.000 0.933 846 K CB 1.110 33.570 32.500 -0.066 0.000 1.025 846 K HN 0.008 nan 8.250 nan 0.000 0.463 847 P HA 0.012 nan 4.420 nan 0.000 0.271 847 P C -1.056 176.195 177.300 -0.081 0.000 1.220 847 P CA -0.435 62.635 63.100 -0.051 0.000 0.768 847 P CB 0.787 32.475 31.700 -0.019 0.000 0.848 848 V N 5.696 125.526 119.914 -0.140 0.000 2.439 848 V HA 0.143 4.273 4.120 0.018 0.000 0.271 848 V C 0.492 176.495 176.094 -0.151 0.000 1.040 848 V CA 0.497 62.676 62.300 -0.202 0.000 1.002 848 V CB -0.598 30.963 31.823 -0.436 0.000 1.000 848 V HN 0.379 nan 8.190 nan 0.000 0.477 849 L N 7.441 128.623 121.223 -0.069 0.000 2.422 849 L HA 0.593 4.944 4.340 0.018 0.000 0.264 849 L C -2.420 174.453 176.870 0.005 0.000 0.984 849 L CA -1.696 53.142 54.840 -0.004 0.000 0.819 849 L CB 3.074 45.149 42.059 0.026 0.000 1.330 849 L HN 0.421 nan 8.230 nan 0.000 0.410 850 P HA 0.369 nan 4.420 nan 0.000 0.279 850 P C -1.255 176.134 177.300 0.149 0.000 1.252 850 P CA -0.419 62.733 63.100 0.087 0.000 0.811 850 P CB 2.490 34.162 31.700 -0.048 0.000 1.035 851 V N 0.383 120.422 119.914 0.209 0.000 3.114 851 V HA 0.443 4.573 4.120 0.018 0.000 0.308 851 V C -1.433 174.681 176.094 0.034 0.000 1.168 851 V CA -0.665 61.693 62.300 0.096 0.000 1.015 851 V CB 2.373 34.192 31.823 -0.006 0.000 1.050 851 V HN 0.571 nan 8.190 nan 0.000 0.433 852 E N 4.211 124.378 120.200 -0.055 0.000 2.283 852 E HA 0.315 4.676 4.350 0.018 0.000 0.258 852 E C -1.926 174.619 176.600 -0.092 0.000 0.893 852 E CA -0.285 56.089 56.400 -0.044 0.000 0.798 852 E CB 1.641 31.335 29.700 -0.010 0.000 1.242 852 E HN 0.624 nan 8.360 nan 0.000 0.414 853 W N 2.874 124.189 121.300 0.024 0.000 2.375 853 W HA 0.168 4.840 4.660 0.020 0.000 0.336 853 W C 1.763 178.289 176.519 0.012 0.000 1.160 853 W CA -0.509 56.852 57.345 0.027 0.000 1.266 853 W CB 0.561 30.039 29.460 0.030 0.000 1.195 853 W HN 0.497 nan 8.180 nan 0.000 0.599 854 N N 0.396 119.240 118.700 0.239 0.000 2.216 854 N HA -0.123 4.628 4.740 0.018 0.000 0.183 854 N C -0.251 175.341 175.510 0.136 0.000 1.017 854 N CA 1.343 54.476 53.050 0.138 0.000 0.861 854 N CB 0.044 38.589 38.487 0.097 0.000 0.986 854 N HN 0.496 nan 8.380 nan 0.000 0.428 855 D N -1.594 118.910 120.400 0.173 0.000 2.623 855 D HA 0.447 5.098 4.640 0.018 0.000 0.241 855 D C -1.671 174.589 176.300 -0.067 0.000 1.241 855 D CA -0.623 53.411 54.000 0.057 0.000 0.788 855 D CB 1.563 42.380 40.800 0.028 0.000 1.413 855 D HN 0.020 nan 8.370 nan 0.000 0.429 856 N N -0.017 118.517 118.700 -0.277 0.000 3.364 856 N HA 0.567 5.317 4.740 0.018 0.000 0.294 856 N C -1.328 173.741 175.510 -0.736 0.000 1.562 856 N CA 0.244 52.891 53.050 -0.672 0.000 0.862 856 N CB 1.566 39.405 38.487 -1.079 0.000 1.691 856 N HN 0.811 nan 8.380 nan 0.000 0.572 857 A N 0.184 122.397 122.820 -1.011 0.000 2.312 857 A HA -0.116 4.215 4.320 0.018 0.000 0.286 857 A C 0.310 177.519 177.584 -0.625 0.000 1.425 857 A CA 1.050 52.485 52.037 -1.003 0.000 0.748 857 A CB -2.362 15.922 19.000 -1.192 0.000 1.126 857 A HN 0.925 nan 8.150 nan 0.000 0.368 858 V N -1.594 118.045 119.914 -0.457 0.000 2.837 858 V HA 0.933 5.064 4.120 0.018 0.000 0.310 858 V C 0.405 176.390 176.094 -0.182 0.000 1.059 858 V CA -0.151 62.007 62.300 -0.236 0.000 1.004 858 V CB 2.117 33.841 31.823 -0.166 0.000 1.045 858 V HN 1.078 nan 8.190 nan 0.000 0.465 859 S N 3.639 119.321 115.700 -0.030 0.000 2.605 859 S HA 0.753 5.234 4.470 0.018 0.000 0.308 859 S C -0.724 173.937 174.600 0.102 0.000 1.113 859 S CA -0.490 57.724 58.200 0.023 0.000 1.049 859 S CB 1.008 64.314 63.200 0.177 0.000 1.001 859 S HN 0.711 nan 8.310 nan 0.000 0.480 860 L N 2.587 123.804 121.223 -0.011 0.000 2.356 860 L HA 0.533 4.884 4.340 0.018 0.000 0.277 860 L C -0.496 176.372 176.870 -0.003 0.000 0.996 860 L CA -0.599 54.287 54.840 0.077 0.000 0.822 860 L CB 1.235 43.306 42.059 0.021 0.000 1.256 860 L HN 0.533 nan 8.230 nan 0.000 0.413 861 W N 2.689 123.969 121.300 -0.032 0.000 2.215 861 W HA 0.278 4.950 4.660 0.021 0.000 0.342 861 W C -2.076 174.429 176.519 -0.024 0.000 1.237 861 W CA -1.553 55.758 57.345 -0.057 0.000 1.283 861 W CB 1.348 30.756 29.460 -0.086 0.000 1.131 861 W HN 0.136 nan 8.180 nan 0.000 0.606 862 P HA 0.015 nan 4.420 nan 0.000 0.262 862 P C 0.594 177.953 177.300 0.097 0.000 1.182 862 P CA 1.957 65.104 63.100 0.079 0.000 0.761 862 P CB 0.238 31.980 31.700 0.071 0.000 0.795 863 G N 1.923 110.761 108.800 0.063 0.000 2.284 863 G HA2 -0.240 3.730 3.960 0.018 0.000 0.247 863 G HA3 -0.240 3.730 3.960 0.018 0.000 0.247 863 G C 0.172 175.109 174.900 0.062 0.000 1.012 863 G CA -0.262 44.873 45.100 0.058 0.000 0.618 863 G HN 0.551 nan 8.290 nan 0.000 0.521 864 E N 0.779 121.031 120.200 0.086 0.000 2.390 864 E HA 0.508 4.869 4.350 0.018 0.000 0.261 864 E C -0.198 176.437 176.600 0.058 0.000 1.076 864 E CA 0.630 57.081 56.400 0.086 0.000 0.905 864 E CB 0.812 30.593 29.700 0.135 0.000 0.984 864 E HN 0.168 nan 8.360 nan 0.000 0.427 865 T N 0.648 115.232 114.554 0.051 0.000 2.903 865 T HA 0.411 4.771 4.350 0.018 0.000 0.299 865 T C -0.895 173.826 174.700 0.035 0.000 1.093 865 T CA -0.512 61.609 62.100 0.035 0.000 1.002 865 T CB 2.058 70.943 68.868 0.029 0.000 1.127 865 T HN 0.363 nan 8.240 nan 0.000 0.488 866 T N 1.248 115.817 114.554 0.025 0.000 2.956 866 T HA 0.609 4.970 4.350 0.018 0.000 0.312 866 T C -1.277 173.439 174.700 0.027 0.000 1.151 866 T CA -0.359 61.756 62.100 0.025 0.000 1.024 866 T CB 1.467 70.344 68.868 0.015 0.000 1.140 866 T HN 0.536 nan 8.240 nan 0.000 0.473 867 T N 4.797 119.373 114.554 0.037 0.000 2.779 867 T HA 0.643 5.004 4.350 0.018 0.000 0.280 867 T C -0.464 174.282 174.700 0.076 0.000 0.987 867 T CA -0.486 61.644 62.100 0.050 0.000 0.966 867 T CB 0.501 69.393 68.868 0.041 0.000 0.933 867 T HN 0.400 nan 8.240 nan 0.000 0.442 868 L N 2.324 123.620 121.223 0.122 0.000 2.330 868 L HA 0.665 5.015 4.340 0.018 0.000 0.271 868 L C 0.258 177.261 176.870 0.222 0.000 1.013 868 L CA -0.877 54.095 54.840 0.220 0.000 0.816 868 L CB 1.974 44.228 42.059 0.325 0.000 1.287 868 L HN 0.524 nan 8.230 nan 0.000 0.435 869 T N 1.395 116.070 114.554 0.201 0.000 2.824 869 T HA 0.691 5.051 4.350 0.018 0.000 0.282 869 T C -0.634 173.945 174.700 -0.203 0.000 0.993 869 T CA -0.516 61.589 62.100 0.008 0.000 0.967 869 T CB 1.738 70.603 68.868 -0.004 0.000 0.960 869 T HN 0.646 nan 8.240 nan 0.000 0.441 870 A N 3.286 125.790 122.820 -0.526 0.000 2.330 870 A HA 0.778 5.108 4.320 0.018 0.000 0.313 870 A C -0.481 176.865 177.584 -0.397 0.000 1.124 870 A CA -0.844 50.653 52.037 -0.900 0.000 0.774 870 A CB 1.098 19.072 19.000 -1.711 0.000 1.198 870 A HN 0.716 nan 8.150 nan 0.000 0.465 871 K N 2.122 122.354 120.400 -0.281 0.000 2.292 871 K HA 0.734 5.064 4.320 0.018 0.000 0.257 871 K C -1.342 175.219 176.600 -0.066 0.000 0.940 871 K CA -0.458 55.695 56.287 -0.222 0.000 0.811 871 K CB 0.974 33.371 32.500 -0.170 0.000 1.120 871 K HN 0.854 nan 8.250 nan 0.000 0.428 872 Y N -0.923 119.294 120.300 -0.138 0.000 2.656 872 Y HA 0.448 5.009 4.550 0.019 0.000 0.334 872 Y C -1.030 174.827 175.900 -0.070 0.000 1.179 872 Y CA -1.506 56.538 58.100 -0.093 0.000 1.050 872 Y CB 0.813 39.215 38.460 -0.098 0.000 1.308 872 Y HN 0.358 nan 8.280 nan 0.000 0.456 873 R N 0.896 121.457 120.500 0.102 0.000 2.489 873 R HA 0.179 4.530 4.340 0.018 0.000 0.287 873 R C 0.435 176.792 176.300 0.094 0.000 1.053 873 R CA 0.619 56.739 56.100 0.034 0.000 1.036 873 R CB 0.822 31.144 30.300 0.037 0.000 0.966 873 R HN 0.955 nan 8.270 nan 0.000 0.432 874 T N 1.947 116.497 114.554 -0.007 0.000 2.803 874 T HA -0.221 4.140 4.350 0.018 0.000 0.269 874 T C 1.838 176.577 174.700 0.065 0.000 1.052 874 T CA 1.657 63.774 62.100 0.028 0.000 1.136 874 T CB 0.000 68.851 68.868 -0.029 0.000 0.864 874 T HN 0.745 nan 8.240 nan 0.000 0.467 875 A N 1.817 124.662 122.820 0.041 0.000 2.015 875 A HA -0.103 4.228 4.320 0.018 0.000 0.219 875 A C 2.000 179.605 177.584 0.034 0.000 1.163 875 A CA 1.253 53.308 52.037 0.029 0.000 0.646 875 A CB -0.409 18.599 19.000 0.013 0.000 0.806 875 A HN 0.315 nan 8.150 nan 0.000 0.448 876 D N -0.459 119.974 120.400 0.055 0.000 2.350 876 D HA -0.069 4.582 4.640 0.018 0.000 0.216 876 D C 1.422 177.731 176.300 0.015 0.000 0.968 876 D CA 0.432 54.452 54.000 0.033 0.000 0.894 876 D CB -0.032 40.794 40.800 0.043 0.000 0.909 876 D HN 0.277 nan 8.370 nan 0.000 0.520 877 L N 0.773 122.025 121.223 0.048 0.000 2.291 877 L HA -0.003 4.348 4.340 0.018 0.000 0.214 877 L C 0.702 177.576 176.870 0.007 0.000 1.120 877 L CA 0.887 55.743 54.840 0.027 0.000 0.799 877 L CB -0.512 41.598 42.059 0.085 0.000 0.925 877 L HN -0.065 nan 8.230 nan 0.000 0.446 878 K N -0.202 120.204 120.400 0.009 0.000 3.148 878 K HA -0.253 4.077 4.320 0.018 0.000 0.267 878 K C 1.085 177.685 176.600 -0.001 0.000 0.996 878 K CA 0.319 56.606 56.287 -0.000 0.000 0.737 878 K CB -1.769 30.724 32.500 -0.012 0.000 1.308 878 K HN 0.597 nan 8.250 nan 0.000 0.470 879 G N -0.843 107.961 108.800 0.006 0.000 2.267 879 G HA2 -0.391 3.580 3.960 0.018 0.000 0.257 879 G HA3 -0.391 3.580 3.960 0.018 0.000 0.257 879 G C 0.183 175.086 174.900 0.004 0.000 0.998 879 G CA 0.534 45.636 45.100 0.004 0.000 0.620 879 G HN 0.724 nan 8.290 nan 0.000 0.529 880 S N 0.288 115.989 115.700 0.002 0.000 2.584 880 S HA 0.495 4.975 4.470 0.018 0.000 0.270 880 S C 0.656 175.262 174.600 0.010 0.000 1.346 880 S CA 0.380 58.580 58.200 0.000 0.000 1.018 880 S CB 0.579 63.773 63.200 -0.009 0.000 0.899 880 S HN 0.448 nan 8.310 nan 0.000 0.542 881 K N 3.020 123.424 120.400 0.007 0.000 2.270 881 K HA 0.344 4.675 4.320 0.018 0.000 0.276 881 K C -2.253 174.358 176.600 0.017 0.000 1.023 881 K CA -1.730 54.566 56.287 0.015 0.000 0.955 881 K CB 0.505 33.010 32.500 0.009 0.000 0.975 881 K HN 0.542 nan 8.250 nan 0.000 0.471 882 P HA 0.118 nan 4.420 nan 0.000 0.279 882 P C -0.994 176.322 177.300 0.027 0.000 1.239 882 P CA -0.318 62.807 63.100 0.041 0.000 0.789 882 P CB 1.406 33.174 31.700 0.113 0.000 0.933 883 S N 0.733 116.438 115.700 0.010 0.000 2.618 883 S HA 0.555 5.036 4.470 0.018 0.000 0.277 883 S C -0.753 173.865 174.600 0.030 0.000 1.138 883 S CA -0.616 57.595 58.200 0.018 0.000 0.844 883 S CB 1.611 64.814 63.200 0.005 0.000 1.127 883 S HN 0.226 nan 8.310 nan 0.000 0.474 884 V N 1.884 121.825 119.914 0.045 0.000 2.487 884 V HA 0.546 4.676 4.120 0.018 0.000 0.298 884 V C -0.155 175.960 176.094 0.035 0.000 1.028 884 V CA -0.736 61.609 62.300 0.075 0.000 0.860 884 V CB 1.483 33.377 31.823 0.118 0.000 0.991 884 V HN 0.773 nan 8.190 nan 0.000 0.427 885 R N 4.146 124.662 120.500 0.026 0.000 2.215 885 R HA 0.619 4.970 4.340 0.018 0.000 0.336 885 R C -1.302 174.975 176.300 -0.038 0.000 0.996 885 R CA -0.533 55.561 56.100 -0.009 0.000 0.847 885 R CB 0.634 30.926 30.300 -0.013 0.000 1.127 885 R HN 0.652 nan 8.270 nan 0.000 0.465 886 I N 2.957 123.497 120.570 -0.051 0.000 2.336 886 I HA 0.254 4.435 4.170 0.018 0.000 0.292 886 I C -0.495 175.569 176.117 -0.087 0.000 0.991 886 I CA 0.201 61.450 61.300 -0.085 0.000 1.227 886 I CB 2.059 40.014 38.000 -0.076 0.000 1.366 886 I HN 0.510 nan 8.210 nan 0.000 0.466 887 S N 3.766 119.400 115.700 -0.109 0.000 2.614 887 S HA 0.809 5.290 4.470 0.018 0.000 0.288 887 S C -0.060 174.479 174.600 -0.103 0.000 1.137 887 S CA -0.856 57.288 58.200 -0.092 0.000 0.992 887 S CB 1.765 64.921 63.200 -0.073 0.000 1.026 887 S HN 0.801 nan 8.310 nan 0.000 0.486 888 G N 0.606 109.358 108.800 -0.080 0.000 2.537 888 G HA2 0.461 4.432 3.960 0.018 0.000 0.323 888 G HA3 0.461 4.432 3.960 0.018 0.000 0.323 888 G C 0.286 175.198 174.900 0.019 0.000 1.207 888 G CA -0.884 44.186 45.100 -0.051 0.000 0.976 888 G HN 0.743 nan 8.290 nan 0.000 0.487 889 W N 1.084 122.310 121.300 -0.125 0.000 2.355 889 W HA -0.112 4.563 4.660 0.024 0.000 0.309 889 W C 0.729 177.231 176.519 -0.029 0.000 1.206 889 W CA 1.739 59.037 57.345 -0.077 0.000 1.284 889 W CB 0.271 29.714 29.460 -0.028 0.000 1.145 889 W HN 0.613 nan 8.180 nan 0.000 0.502 890 N N -0.329 118.479 118.700 0.180 0.000 2.416 890 N HA 0.011 4.761 4.740 0.018 0.000 0.267 890 N C 0.107 175.615 175.510 -0.002 0.000 1.294 890 N CA 0.708 53.796 53.050 0.062 0.000 0.891 890 N CB -0.434 38.159 38.487 0.177 0.000 1.238 890 N HN 0.029 nan 8.380 nan 0.000 0.508 891 T N -4.779 109.755 114.554 -0.033 0.000 3.058 891 T HA 0.467 4.828 4.350 0.018 0.000 0.278 891 T C 0.905 175.566 174.700 -0.065 0.000 0.974 891 T CA 0.167 62.238 62.100 -0.049 0.000 0.893 891 T CB 0.323 69.160 68.868 -0.051 0.000 1.138 891 T HN 0.420 nan 8.240 nan 0.000 0.529 892 G N 1.591 110.340 108.800 -0.084 0.000 2.641 892 G HA2 -0.112 3.859 3.960 0.018 0.000 0.254 892 G HA3 -0.112 3.859 3.960 0.018 0.000 0.254 892 G C -0.449 174.404 174.900 -0.079 0.000 1.315 892 G CA -0.190 44.857 45.100 -0.088 0.000 0.907 892 G HN 0.806 nan 8.290 nan 0.000 0.572 893 T N 1.373 115.884 114.554 -0.071 0.000 2.824 893 T HA 0.657 5.018 4.350 0.018 0.000 0.282 893 T C 0.027 174.696 174.700 -0.051 0.000 0.993 893 T CA 0.090 62.153 62.100 -0.063 0.000 0.967 893 T CB 1.684 70.514 68.868 -0.062 0.000 0.960 893 T HN 0.960 nan 8.240 nan 0.000 0.441 894 Q N 0.380 120.153 119.800 -0.046 0.000 2.416 894 Q HA 0.731 5.081 4.340 0.018 0.000 0.281 894 Q C -1.344 174.638 176.000 -0.030 0.000 1.067 894 Q CA -1.073 54.709 55.803 -0.036 0.000 0.809 894 Q CB 2.243 30.960 28.738 -0.033 0.000 1.418 894 Q HN 0.594 nan 8.270 nan 0.000 0.411 895 T N -0.625 113.916 114.554 -0.022 0.000 2.841 895 T HA 0.579 4.939 4.350 0.018 0.000 0.285 895 T C -0.422 174.274 174.700 -0.007 0.000 0.991 895 T CA -0.414 61.678 62.100 -0.013 0.000 0.966 895 T CB 1.156 70.016 68.868 -0.013 0.000 0.962 895 T HN 0.740 nan 8.240 nan 0.000 0.438 896 V N 2.752 122.667 119.914 0.001 0.000 2.547 896 V HA 0.815 4.946 4.120 0.018 0.000 0.299 896 V C -2.436 173.666 176.094 0.013 0.000 1.040 896 V CA -2.706 59.597 62.300 0.006 0.000 0.913 896 V CB 0.997 32.825 31.823 0.008 0.000 0.992 896 V HN 0.785 nan 8.190 nan 0.000 0.449 897 P HA 0.218 nan 4.420 nan 0.000 0.270 897 P C 0.059 177.372 177.300 0.023 0.000 1.221 897 P CA 0.312 63.420 63.100 0.013 0.000 0.788 897 P CB 1.069 32.774 31.700 0.009 0.000 0.904 898 A N -1.362 121.474 122.820 0.027 0.000 2.622 898 A HA 0.566 4.897 4.320 0.018 0.000 0.283 898 A C 0.307 177.910 177.584 0.031 0.000 0.998 898 A CA 0.839 52.897 52.037 0.036 0.000 0.985 898 A CB -0.262 18.771 19.000 0.055 0.000 1.236 898 A HN 0.737 nan 8.150 nan 0.000 0.559 899 D N 0.000 120.413 120.400 0.022 0.000 6.856 899 D HA 0.000 4.651 4.640 0.018 0.000 0.175 899 D CA 0.000 nan 54.000 nan 0.000 0.868 899 D CB 0.000 nan 40.800 nan 0.000 0.688 899 D HN 0.000 nan 8.370 nan 0.000 0.683