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 2vzu_1_A DATA FIRST_RESID 49 DATA SEQUENCE GNATPIPGYV IQSSAQVSDD SAVSKPGFPT SGWYPVSSRS TVYAGLLQNG DATA SEQUENCE KYADPFYSTN MQNVPAAQFS VPWWYRTDLN VDDTSSRTYL DFSGVLSKAD DATA SEQUENCE VWVNGTKVAT KDQVNGAYTR HDLDITAQVH TGVNSVAFKV YPNDPNRDLS DATA SEQUENCE MGWIDWAQTP PDQNMGIVRD VLVRRSGAVA LRSAHVIQKL NSALDHADLT DATA SEQUENCE VKADVRNDSA NAVQTTVAGT VAGKPISQTV SLAAKERKTV TFPLVGLDRP DATA SEQUENCE NVWWPAGMGG QHRYDLDLTA SVGGTPSDAA KSKFGVRDVK ATLNSSGGRQ DATA SEQUENCE YSVNGKPLLI RGGGYTPDLF LRWNETAAAD KLKYVLNLGL NTVRLEGHIE DATA SEQUENCE PDEFFDIADD LGVLTMPGWE CCDKWEGQVN GEEKGEPWVE SDYPIAKASM DATA SEQUENCE FSEAERLRDH PSVISFHIGS AFAPDRRIEQ GYLDAMKAAD FLLPVIPAAS DATA SEQUENCE ARPSPITGAS GMKMNGPYDY VPPVYWYDKS QKDRGGAWSF NSETSAGVDI DATA SEQUENCE PTMDTLKRMM SASELDTMWK NPSAKQYHRS SSDTFGNLKL FGDALTKRYG DATA SEQUENCE ASANLNDFVR KAQLSQYENV RAEFESHSRN YTDSTNPSTG LIYWMLNSPW DATA SEQUENCE TSLHWQLFDA YMDQNGAYYG AKKANEPLHI QYSHDNRSVV VINQTSNAVS DATA SEQUENCE GLTATTKLYN LDGTEKYSNT KTGLSVGALG AKATAVTVPA VSGLSTTYLA DATA SEQUENCE KNVLTDSSGK EVSRNVYWLS TKADTLNWGG SDWYYTPQSA FADLSGLNNL DATA SEQUENCE GQSAVGATAN SVAGADGTTT TTVTLKNTSG GRLPAFYVDS KVVDSAGKPV DATA SEQUENCE LPVEWNANAV SLWPGETTTL TAKYRTADLK GSKPSVRISG WNTGTQTVPA DATA SEQUENCE D 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 49 G HA2 0.000 nan 3.960 nan 0.000 0.244 49 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 49 G C 0.000 174.935 174.900 0.058 0.000 0.946 49 G CA 0.000 45.131 45.100 0.052 0.000 0.502 50 N N 1.157 119.898 118.700 0.068 0.000 2.454 50 N HA 0.428 5.168 4.740 -0.001 0.000 0.254 50 N C -0.374 175.187 175.510 0.083 0.000 1.228 50 N CA 0.949 54.043 53.050 0.074 0.000 0.900 50 N CB 0.975 39.508 38.487 0.077 0.000 1.089 50 N HN 0.360 nan 8.380 nan 0.000 0.449 51 A N 2.924 125.794 122.820 0.083 0.000 2.599 51 A HA 0.363 4.682 4.320 -0.001 0.000 0.281 51 A C -0.944 176.698 177.584 0.096 0.000 1.137 51 A CA -0.677 51.418 52.037 0.096 0.000 0.767 51 A CB 0.837 19.889 19.000 0.087 0.000 1.266 51 A HN 0.555 nan 8.150 nan 0.000 0.420 52 T N 4.878 119.494 114.554 0.103 0.000 2.786 52 T HA 0.603 4.953 4.350 -0.001 0.000 0.283 52 T C -2.830 171.935 174.700 0.108 0.000 0.992 52 T CA -1.182 60.975 62.100 0.095 0.000 0.954 52 T CB 1.442 70.359 68.868 0.082 0.000 0.934 52 T HN 0.417 nan 8.240 nan 0.000 0.440 53 P HA 0.227 nan 4.420 nan 0.000 0.268 53 P C -0.192 177.164 177.300 0.093 0.000 1.205 53 P CA -0.453 62.718 63.100 0.118 0.000 0.771 53 P CB 0.364 32.133 31.700 0.114 0.000 0.858 54 I N 5.723 126.350 120.570 0.095 0.000 2.581 54 I HA 0.010 4.180 4.170 -0.001 0.000 0.285 54 I C -0.894 175.192 176.117 -0.052 0.000 1.129 54 I CA -1.155 60.143 61.300 -0.003 0.000 1.397 54 I CB 0.573 38.554 38.000 -0.032 0.000 1.399 54 I HN 0.355 nan 8.210 nan 0.000 0.537 55 P HA 0.054 nan 4.420 nan 0.000 0.225 55 P C 0.485 177.775 177.300 -0.017 0.000 1.156 55 P CA 0.644 63.744 63.100 0.001 0.000 0.787 55 P CB 0.423 32.135 31.700 0.019 0.000 0.802 56 G N -2.079 106.613 108.800 -0.180 0.000 2.506 56 G HA2 0.540 4.500 3.960 -0.001 0.000 0.292 56 G HA3 0.540 4.500 3.960 -0.001 0.000 0.292 56 G C -2.182 172.486 174.900 -0.387 0.000 1.425 56 G CA -0.608 44.427 45.100 -0.108 0.000 0.788 56 G HN -0.076 nan 8.290 nan 0.000 0.490 57 Y N -1.649 118.771 120.300 0.200 0.000 2.644 57 Y HA 0.659 5.209 4.550 -0.001 0.000 0.338 57 Y C 0.189 176.217 175.900 0.214 0.000 1.119 57 Y CA -1.090 57.151 58.100 0.235 0.000 1.060 57 Y CB 2.369 41.017 38.460 0.313 0.000 1.294 57 Y HN 0.617 nan 8.280 nan 0.000 0.472 58 V N 1.241 121.416 119.914 0.435 0.000 2.513 58 V HA 0.791 4.910 4.120 -0.001 0.000 0.299 58 V C -0.490 175.977 176.094 0.621 0.000 1.035 58 V CA -0.828 61.749 62.300 0.461 0.000 0.889 58 V CB 1.209 33.275 31.823 0.406 0.000 0.988 58 V HN 0.719 nan 8.190 nan 0.000 0.440 59 I N 1.410 122.255 120.570 0.458 0.000 2.740 59 I HA 0.992 5.162 4.170 -0.001 0.000 0.303 59 I C -0.772 175.372 176.117 0.045 0.000 1.044 59 I CA -0.746 60.699 61.300 0.242 0.000 1.064 59 I CB 2.309 40.253 38.000 -0.094 0.000 1.249 59 I HN 0.735 nan 8.210 nan 0.000 0.433 60 Q N 2.663 122.212 119.800 -0.419 0.000 2.527 60 Q HA 0.366 4.706 4.340 -0.001 0.000 0.280 60 Q C -1.240 174.164 176.000 -0.993 0.000 0.977 60 Q CA -0.435 54.810 55.803 -0.929 0.000 0.837 60 Q CB 2.348 29.785 28.738 -2.169 0.000 1.454 60 Q HN 0.885 nan 8.270 nan 0.000 0.387 61 S N 0.198 114.913 115.700 -1.642 0.000 2.560 61 S HA 0.124 4.593 4.470 -0.001 0.000 0.284 61 S C 0.999 175.242 174.600 -0.595 0.000 1.327 61 S CA 0.670 57.925 58.200 -1.575 0.000 1.055 61 S CB 0.235 62.645 63.200 -1.317 0.000 0.868 61 S HN 0.746 nan 8.310 nan 0.000 0.506 62 S N 4.233 119.745 115.700 -0.313 0.000 2.500 62 S HA -0.079 4.390 4.470 -0.001 0.000 0.239 62 S C 1.891 176.454 174.600 -0.062 0.000 0.989 62 S CA 0.783 58.988 58.200 0.010 0.000 0.951 62 S CB -0.666 62.524 63.200 -0.017 0.000 0.759 62 S HN 0.932 nan 8.310 nan 0.000 0.523 63 A N 1.490 124.202 122.820 -0.179 0.000 2.076 63 A HA -0.096 4.224 4.320 -0.001 0.000 0.220 63 A C 2.198 179.723 177.584 -0.098 0.000 1.160 63 A CA 1.308 53.268 52.037 -0.127 0.000 0.653 63 A CB -0.467 18.437 19.000 -0.159 0.000 0.801 63 A HN 0.725 nan 8.150 nan 0.000 0.455 64 Q N -0.747 118.977 119.800 -0.127 0.000 2.247 64 Q HA 0.220 4.559 4.340 -0.001 0.000 0.204 64 Q C -0.847 175.170 176.000 0.029 0.000 0.872 64 Q CA 0.099 55.863 55.803 -0.065 0.000 0.951 64 Q CB 0.756 29.424 28.738 -0.118 0.000 1.099 64 Q HN 0.363 nan 8.270 nan 0.000 0.501 65 V N 1.751 121.689 119.914 0.040 0.000 2.380 65 V HA 0.072 4.191 4.120 -0.001 0.000 0.286 65 V C 0.841 176.962 176.094 0.045 0.000 1.015 65 V CA -0.122 62.210 62.300 0.054 0.000 0.834 65 V CB 1.527 33.332 31.823 -0.031 0.000 1.009 65 V HN 0.216 nan 8.190 nan 0.000 0.428 66 S N 1.662 117.377 115.700 0.025 0.000 2.458 66 S HA 0.064 4.534 4.470 -0.001 0.000 0.223 66 S C 0.554 175.157 174.600 0.006 0.000 1.019 66 S CA 0.439 58.652 58.200 0.020 0.000 0.937 66 S CB 0.168 63.377 63.200 0.015 0.000 0.788 66 S HN 0.675 nan 8.310 nan 0.000 0.511 67 D N 1.058 121.435 120.400 -0.038 0.000 2.454 67 D HA 0.351 4.990 4.640 -0.001 0.000 0.247 67 D C -0.220 175.935 176.300 -0.242 0.000 1.129 67 D CA -0.473 53.473 54.000 -0.090 0.000 0.877 67 D CB 1.231 41.983 40.800 -0.079 0.000 1.082 67 D HN -0.164 nan 8.370 nan 0.000 0.537 68 D N 1.001 121.282 120.400 -0.200 0.000 2.133 68 D HA -0.210 4.429 4.640 -0.001 0.000 0.195 68 D C 1.999 177.666 176.300 -1.055 0.000 0.997 68 D CA 1.671 55.441 54.000 -0.383 0.000 0.840 68 D CB -0.106 40.687 40.800 -0.011 0.000 0.947 68 D HN 0.520 nan 8.370 nan 0.000 0.452 69 S N 0.309 115.464 115.700 -0.908 0.000 2.419 69 S HA -0.138 4.332 4.470 -0.001 0.000 0.235 69 S C 2.082 176.337 174.600 -0.575 0.000 1.019 69 S CA 1.266 58.962 58.200 -0.839 0.000 0.982 69 S CB -0.335 62.755 63.200 -0.184 0.000 0.789 69 S HN 0.266 nan 8.310 nan 0.000 0.490 70 A N 1.351 123.844 122.820 -0.546 0.000 1.969 70 A HA 0.119 4.438 4.320 -0.001 0.000 0.218 70 A C 2.368 179.437 177.584 -0.859 0.000 1.169 70 A CA 1.411 53.175 52.037 -0.455 0.000 0.635 70 A CB -0.967 17.890 19.000 -0.238 0.000 0.810 70 A HN 0.481 nan 8.150 nan 0.000 0.445 71 V N 0.914 120.008 119.914 -1.367 0.000 2.295 71 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 71 V C 2.610 178.152 176.094 -0.920 0.000 1.049 71 V CA 2.282 63.474 62.300 -1.848 0.000 1.024 71 V CB -0.881 29.811 31.823 -1.885 0.000 0.648 71 V HN 0.760 nan 8.190 nan 0.000 0.447 72 S N -1.339 114.037 115.700 -0.540 0.000 2.631 72 S HA 0.148 4.618 4.470 -0.001 0.000 0.217 72 S C 0.531 175.077 174.600 -0.090 0.000 0.958 72 S CA -0.255 57.835 58.200 -0.183 0.000 0.920 72 S CB -0.428 62.785 63.200 0.021 0.000 0.776 72 S HN 0.568 nan 8.310 nan 0.000 0.517 73 K N 2.995 123.317 120.400 -0.131 0.000 2.297 73 K HA 0.318 4.637 4.320 -0.001 0.000 0.286 73 K C -2.810 173.802 176.600 0.019 0.000 1.053 73 K CA -2.121 54.154 56.287 -0.020 0.000 0.940 73 K CB 0.314 32.801 32.500 -0.021 0.000 1.019 73 K HN 0.115 nan 8.250 nan 0.000 0.475 74 P HA -0.099 nan 4.420 nan 0.000 0.264 74 P C 0.688 178.007 177.300 0.031 0.000 1.183 74 P CA 0.853 63.985 63.100 0.054 0.000 0.763 74 P CB 0.577 32.336 31.700 0.099 0.000 0.807 75 G N 2.339 111.147 108.800 0.012 0.000 2.194 75 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.236 75 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.236 75 G C 0.093 174.968 174.900 -0.042 0.000 0.987 75 G CA -0.384 44.704 45.100 -0.021 0.000 0.635 75 G HN 0.566 nan 8.290 nan 0.000 0.520 76 F N 4.689 124.536 119.950 -0.171 0.000 2.612 76 F HA 0.451 4.978 4.527 -0.001 0.000 0.389 76 F C -0.970 174.657 175.800 -0.287 0.000 1.055 76 F CA -1.231 56.626 58.000 -0.239 0.000 1.232 76 F CB 0.431 39.247 39.000 -0.308 0.000 1.044 76 F HN 0.087 nan 8.300 nan 0.000 0.560 77 P HA 0.156 nan 4.420 nan 0.000 0.275 77 P C -0.467 176.206 177.300 -1.045 0.000 1.227 77 P CA -0.254 62.376 63.100 -0.783 0.000 0.781 77 P CB 0.997 32.349 31.700 -0.579 0.000 0.906 78 T N -2.865 111.280 114.554 -0.683 0.000 3.442 78 T HA 0.157 4.506 4.350 -0.001 0.000 0.295 78 T C 0.346 174.887 174.700 -0.264 0.000 1.007 78 T CA -0.485 61.119 62.100 -0.826 0.000 0.962 78 T CB -0.683 67.702 68.868 -0.805 0.000 1.187 78 T HN 0.360 nan 8.240 nan 0.000 0.490 79 S N 0.937 116.535 115.700 -0.171 0.000 2.516 79 S HA 0.461 4.930 4.470 -0.001 0.000 0.282 79 S C 1.775 176.399 174.600 0.040 0.000 1.286 79 S CA 0.981 59.145 58.200 -0.061 0.000 1.066 79 S CB -0.380 62.766 63.200 -0.091 0.000 0.884 79 S HN 1.555 nan 8.310 nan 0.000 0.491 80 G N 3.950 112.748 108.800 -0.003 0.000 2.205 80 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.261 80 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.261 80 G C -0.018 174.757 174.900 -0.209 0.000 0.980 80 G CA 0.141 45.185 45.100 -0.094 0.000 0.632 80 G HN 0.674 nan 8.290 nan 0.000 0.533 81 W N 0.329 121.458 121.300 -0.285 0.000 2.148 81 W HA 0.586 5.245 4.660 -0.001 0.000 0.347 81 W C 0.463 176.805 176.519 -0.295 0.000 1.288 81 W CA -0.168 57.036 57.345 -0.235 0.000 1.252 81 W CB 0.006 29.446 29.460 -0.033 0.000 1.156 81 W HN 0.137 nan 8.180 nan 0.000 0.580 82 Y N 3.599 124.054 120.300 0.259 0.000 2.367 82 Y HA 0.266 4.816 4.550 -0.001 0.000 0.342 82 Y C -1.595 174.418 175.900 0.188 0.000 0.979 82 Y CA -2.978 55.232 58.100 0.183 0.000 1.161 82 Y CB 0.127 38.679 38.460 0.154 0.000 1.155 82 Y HN 0.018 nan 8.280 nan 0.000 0.503 83 P HA 0.137 nan 4.420 nan 0.000 0.271 83 P C -0.762 176.665 177.300 0.212 0.000 1.220 83 P CA 0.027 63.260 63.100 0.221 0.000 0.768 83 P CB 1.532 33.325 31.700 0.156 0.000 0.848 84 V N 0.388 120.435 119.914 0.220 0.000 3.007 84 V HA 0.694 4.813 4.120 -0.001 0.000 0.311 84 V C 0.060 176.297 176.094 0.238 0.000 1.120 84 V CA -0.962 61.463 62.300 0.208 0.000 0.980 84 V CB 1.595 33.535 31.823 0.194 0.000 1.033 84 V HN 0.646 nan 8.190 nan 0.000 0.429 85 S N 2.381 118.206 115.700 0.208 0.000 2.634 85 S HA 0.477 4.947 4.470 -0.001 0.000 0.261 85 S C 0.555 175.336 174.600 0.303 0.000 1.271 85 S CA 0.266 58.592 58.200 0.210 0.000 0.985 85 S CB 1.139 64.441 63.200 0.170 0.000 0.968 85 S HN 1.656 nan 8.310 nan 0.000 0.568 86 S N 0.294 116.163 115.700 0.282 0.000 2.566 86 S HA 0.145 4.615 4.470 -0.001 0.000 0.280 86 S C 0.519 175.291 174.600 0.287 0.000 1.343 86 S CA 0.035 58.436 58.200 0.335 0.000 1.036 86 S CB -0.595 62.753 63.200 0.247 0.000 0.866 86 S HN 0.796 nan 8.310 nan 0.000 0.526 87 R N 0.398 121.042 120.500 0.240 0.000 3.776 87 R HA -0.117 4.222 4.340 -0.001 0.000 0.312 87 R C -0.665 175.751 176.300 0.194 0.000 1.181 87 R CA 0.706 56.910 56.100 0.174 0.000 0.836 87 R CB -2.755 27.662 30.300 0.195 0.000 1.324 87 R HN 0.450 nan 8.270 nan 0.000 0.501 88 S N 0.999 116.831 115.700 0.220 0.000 2.480 88 S HA 0.291 4.760 4.470 -0.001 0.000 0.286 88 S C 0.850 175.567 174.600 0.194 0.000 1.180 88 S CA -0.388 57.939 58.200 0.212 0.000 1.075 88 S CB 1.739 65.075 63.200 0.226 0.000 0.996 88 S HN 0.309 nan 8.310 nan 0.000 0.487 89 T N 0.078 114.712 114.554 0.134 0.000 2.802 89 T HA 0.206 4.555 4.350 -0.001 0.000 0.305 89 T C 1.515 176.245 174.700 0.050 0.000 1.053 89 T CA -0.753 61.397 62.100 0.084 0.000 1.058 89 T CB 0.288 69.204 68.868 0.080 0.000 0.988 89 T HN 0.196 nan 8.240 nan 0.000 0.539 90 V N 1.002 120.872 119.914 -0.073 0.000 2.255 90 V HA -0.141 3.978 4.120 -0.001 0.000 0.247 90 V C 2.153 178.052 176.094 -0.324 0.000 1.051 90 V CA 2.055 64.168 62.300 -0.311 0.000 1.018 90 V CB -1.266 30.113 31.823 -0.739 0.000 0.641 90 V HN 0.925 nan 8.190 nan 0.000 0.445 91 Y N 1.366 121.349 120.300 -0.530 0.000 2.181 91 Y HA -0.183 4.367 4.550 -0.001 0.000 0.288 91 Y C 2.364 178.092 175.900 -0.287 0.000 1.146 91 Y CA 1.229 59.050 58.100 -0.466 0.000 1.164 91 Y CB -0.771 37.322 38.460 -0.610 0.000 0.982 91 Y HN 0.150 nan 8.280 nan 0.000 0.515 92 A N 0.192 122.867 122.820 -0.241 0.000 1.917 92 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 92 A C 2.537 180.020 177.584 -0.170 0.000 1.182 92 A CA 1.978 53.885 52.037 -0.217 0.000 0.633 92 A CB -1.724 17.280 19.000 0.008 0.000 0.819 92 A HN 0.594 nan 8.150 nan 0.000 0.448 93 G N -0.367 108.371 108.800 -0.103 0.000 2.418 93 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.217 93 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.217 93 G C 1.548 176.372 174.900 -0.126 0.000 1.158 93 G CA 1.022 46.085 45.100 -0.062 0.000 0.771 93 G HN 0.450 nan 8.290 nan 0.000 0.545 94 L N -0.104 120.992 121.223 -0.211 0.000 2.056 94 L HA 0.023 4.362 4.340 -0.001 0.000 0.207 94 L C 2.905 179.670 176.870 -0.176 0.000 1.078 94 L CA 0.461 55.161 54.840 -0.234 0.000 0.749 94 L CB -0.435 41.596 42.059 -0.047 0.000 0.901 94 L HN 0.176 nan 8.230 nan 0.000 0.433 95 L N -0.541 120.517 121.223 -0.275 0.000 2.042 95 L HA -0.270 4.069 4.340 -0.001 0.000 0.210 95 L C 2.693 179.471 176.870 -0.153 0.000 1.076 95 L CA 1.345 56.020 54.840 -0.274 0.000 0.749 95 L CB -0.532 41.229 42.059 -0.497 0.000 0.893 95 L HN 0.382 nan 8.230 nan 0.000 0.432 96 Q N 0.096 119.825 119.800 -0.120 0.000 2.197 96 Q HA -0.201 4.138 4.340 -0.001 0.000 0.207 96 Q C 1.396 177.392 176.000 -0.007 0.000 0.984 96 Q CA 1.331 57.108 55.803 -0.042 0.000 0.869 96 Q CB 0.113 28.850 28.738 -0.001 0.000 0.906 96 Q HN 0.513 nan 8.270 nan 0.000 0.426 97 N N -1.854 116.844 118.700 -0.004 0.000 2.268 97 N HA 0.071 4.811 4.740 -0.001 0.000 0.204 97 N C 0.488 176.010 175.510 0.020 0.000 1.124 97 N CA 0.804 53.886 53.050 0.053 0.000 0.838 97 N CB 1.529 40.118 38.487 0.169 0.000 0.994 97 N HN 0.409 nan 8.380 nan 0.000 0.489 98 G N 1.160 109.943 108.800 -0.029 0.000 2.481 98 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.200 98 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.200 98 G C 0.914 175.763 174.900 -0.085 0.000 1.012 98 G CA -0.026 45.051 45.100 -0.038 0.000 0.676 98 G HN 0.285 nan 8.290 nan 0.000 0.488 99 K N -0.533 119.773 120.400 -0.158 0.000 2.334 99 K HA 0.373 4.693 4.320 -0.001 0.000 0.195 99 K C -0.242 175.986 176.600 -0.620 0.000 1.045 99 K CA 0.298 56.372 56.287 -0.355 0.000 1.004 99 K CB 0.286 32.528 32.500 -0.430 0.000 0.837 99 K HN 0.385 nan 8.250 nan 0.000 0.510 100 Y N -0.411 119.889 120.300 0.001 0.000 2.553 100 Y HA 0.453 5.002 4.550 -0.001 0.000 0.347 100 Y C 0.033 175.947 175.900 0.023 0.000 1.019 100 Y CA -1.238 56.890 58.100 0.047 0.000 1.032 100 Y CB 1.545 40.085 38.460 0.134 0.000 1.284 100 Y HN -0.063 nan 8.280 nan 0.000 0.466 101 A N 0.501 123.459 122.820 0.229 0.000 2.366 101 A HA 0.182 4.501 4.320 -0.001 0.000 0.250 101 A C -0.261 177.422 177.584 0.164 0.000 1.099 101 A CA -0.246 51.888 52.037 0.161 0.000 0.794 101 A CB -0.058 19.046 19.000 0.173 0.000 1.056 101 A HN 0.733 nan 8.150 nan 0.000 0.499 102 D N 0.495 120.985 120.400 0.150 0.000 2.389 102 D HA 0.112 4.751 4.640 -0.001 0.000 0.263 102 D C -1.289 175.193 176.300 0.303 0.000 1.255 102 D CA -1.458 52.636 54.000 0.158 0.000 0.914 102 D CB 0.760 41.656 40.800 0.159 0.000 1.116 102 D HN 0.166 nan 8.370 nan 0.000 0.502 103 P HA -0.108 nan 4.420 nan 0.000 0.230 103 P C 1.180 178.971 177.300 0.818 0.000 1.158 103 P CA 0.380 63.810 63.100 0.552 0.000 0.769 103 P CB 0.055 32.087 31.700 0.554 0.000 0.807 104 F N -1.304 118.909 119.950 0.439 0.000 2.604 104 F HA 0.046 4.572 4.527 -0.001 0.000 0.298 104 F C 1.144 177.080 175.800 0.227 0.000 1.131 104 F CA -0.296 57.903 58.000 0.332 0.000 1.457 104 F CB -1.133 38.016 39.000 0.248 0.000 1.095 104 F HN -0.079 nan 8.300 nan 0.000 0.574 105 Y N -0.092 120.407 120.300 0.333 0.000 2.331 105 Y HA 0.454 5.003 4.550 -0.001 0.000 0.338 105 Y C 0.893 176.922 175.900 0.214 0.000 0.992 105 Y CA -0.453 57.742 58.100 0.158 0.000 1.121 105 Y CB 0.875 39.419 38.460 0.140 0.000 1.184 105 Y HN 0.027 nan 8.280 nan 0.000 0.469 106 S N 2.577 117.902 115.700 -0.625 0.000 3.736 106 S HA -0.318 4.151 4.470 -0.001 0.000 0.627 106 S C 0.951 175.615 174.600 0.107 0.000 2.426 106 S CA 2.164 60.099 58.200 -0.442 0.000 4.022 106 S CB -1.592 61.090 63.200 -0.864 0.000 0.237 106 S HN 1.285 nan 8.310 nan 0.000 0.967 107 T N -0.175 114.353 114.554 -0.043 0.000 3.223 107 T HA 0.352 4.701 4.350 -0.001 0.000 0.259 107 T C 1.052 175.743 174.700 -0.016 0.000 1.015 107 T CA 0.480 62.484 62.100 -0.159 0.000 0.908 107 T CB -0.324 68.334 68.868 -0.348 0.000 1.054 107 T HN 0.449 nan 8.240 nan 0.000 0.567 108 N N 1.890 120.678 118.700 0.147 0.000 2.132 108 N HA -0.134 4.605 4.740 -0.001 0.000 0.191 108 N C 1.508 177.134 175.510 0.193 0.000 1.015 108 N CA 1.438 54.606 53.050 0.198 0.000 0.864 108 N CB -0.358 38.303 38.487 0.290 0.000 1.006 108 N HN 0.493 nan 8.380 nan 0.000 0.430 109 M N 0.667 120.438 119.600 0.285 0.000 2.296 109 M HA -0.136 4.343 4.480 -0.001 0.000 0.265 109 M C 1.767 178.114 176.300 0.078 0.000 1.064 109 M CA 1.272 56.712 55.300 0.234 0.000 1.109 109 M CB 0.075 32.918 32.600 0.405 0.000 1.396 109 M HN 0.136 nan 8.290 nan 0.000 0.430 110 Q N -0.061 119.757 119.800 0.031 0.000 2.224 110 Q HA -0.121 4.219 4.340 -0.001 0.000 0.203 110 Q C 0.934 176.907 176.000 -0.045 0.000 0.970 110 Q CA 1.007 56.774 55.803 -0.061 0.000 0.865 110 Q CB -0.097 28.505 28.738 -0.228 0.000 0.922 110 Q HN 0.575 nan 8.270 nan 0.000 0.445 111 N N 0.011 118.704 118.700 -0.013 0.000 2.521 111 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 111 N C -0.431 175.080 175.510 0.003 0.000 1.146 111 N CA 0.264 53.325 53.050 0.017 0.000 0.893 111 N CB 0.334 38.862 38.487 0.068 0.000 0.975 111 N HN -0.027 nan 8.380 nan 0.000 0.451 112 V N 2.747 122.602 119.914 -0.100 0.000 2.406 112 V HA 0.214 4.333 4.120 -0.001 0.000 0.272 112 V C -2.021 173.979 176.094 -0.157 0.000 1.043 112 V CA -1.656 60.476 62.300 -0.279 0.000 0.915 112 V CB 1.009 32.505 31.823 -0.544 0.000 0.988 112 V HN -0.055 nan 8.190 nan 0.000 0.466 113 P HA 0.177 nan 4.420 nan 0.000 0.265 113 P C 0.445 177.669 177.300 -0.127 0.000 1.222 113 P CA 0.059 63.111 63.100 -0.079 0.000 0.767 113 P CB 0.988 32.661 31.700 -0.045 0.000 0.801 114 A N 4.227 127.016 122.820 -0.052 0.000 2.081 114 A HA 0.129 4.448 4.320 -0.001 0.000 0.214 114 A C 2.057 179.628 177.584 -0.022 0.000 1.158 114 A CA 1.130 53.196 52.037 0.050 0.000 0.724 114 A CB -0.955 18.088 19.000 0.071 0.000 0.826 114 A HN 0.487 nan 8.150 nan 0.000 0.463 115 A N 1.059 123.839 122.820 -0.068 0.000 1.948 115 A HA -0.285 4.034 4.320 -0.001 0.000 0.220 115 A C 2.137 179.661 177.584 -0.100 0.000 1.177 115 A CA 1.824 53.829 52.037 -0.054 0.000 0.636 115 A CB -0.765 18.210 19.000 -0.042 0.000 0.815 115 A HN 0.793 nan 8.150 nan 0.000 0.449 116 Q N -1.744 117.900 119.800 -0.260 0.000 2.364 116 Q HA -0.117 4.223 4.340 -0.001 0.000 0.209 116 Q C 0.607 176.518 176.000 -0.149 0.000 0.977 116 Q CA 1.369 57.007 55.803 -0.275 0.000 0.885 116 Q CB -0.488 28.009 28.738 -0.402 0.000 0.941 116 Q HN 0.608 nan 8.270 nan 0.000 0.464 117 F N 0.490 120.548 119.950 0.181 0.000 2.645 117 F HA 0.328 4.854 4.527 -0.001 0.000 0.300 117 F C 1.055 176.917 175.800 0.104 0.000 1.115 117 F CA -0.466 57.614 58.000 0.134 0.000 1.355 117 F CB 0.593 39.570 39.000 -0.037 0.000 1.026 117 F HN -0.040 nan 8.300 nan 0.000 0.536 118 S N -0.345 115.471 115.700 0.194 0.000 2.540 118 S HA 0.217 4.686 4.470 -0.001 0.000 0.218 118 S C 0.446 175.113 174.600 0.112 0.000 0.977 118 S CA -0.143 58.134 58.200 0.130 0.000 0.918 118 S CB 0.025 63.272 63.200 0.077 0.000 0.806 118 S HN 0.091 nan 8.310 nan 0.000 0.496 119 V N -1.153 118.843 119.914 0.138 0.000 2.960 119 V HA 0.691 4.811 4.120 -0.001 0.000 0.315 119 V C -3.238 172.925 176.094 0.114 0.000 1.087 119 V CA -3.238 59.107 62.300 0.075 0.000 0.982 119 V CB 1.062 32.889 31.823 0.007 0.000 1.039 119 V HN -0.208 nan 8.190 nan 0.000 0.437 120 P HA 0.169 nan 4.420 nan 0.000 0.268 120 P C -1.439 175.854 177.300 -0.011 0.000 1.208 120 P CA 0.431 63.422 63.100 -0.182 0.000 0.777 120 P CB 0.225 31.524 31.700 -0.667 0.000 0.875 121 W N 1.640 122.846 121.300 -0.157 0.000 2.761 121 W HA 0.431 5.090 4.660 -0.001 0.000 0.340 121 W C -0.992 175.504 176.519 -0.039 0.000 1.072 121 W CA 0.242 57.570 57.345 -0.028 0.000 1.215 121 W CB 0.912 30.437 29.460 0.108 0.000 1.420 121 W HN 0.392 nan 8.180 nan 0.000 0.519 122 W N 2.214 123.650 121.300 0.227 0.000 2.417 122 W HA 0.438 5.097 4.660 -0.001 0.000 0.317 122 W C -0.832 175.944 176.519 0.428 0.000 1.121 122 W CA -0.575 56.961 57.345 0.319 0.000 1.208 122 W CB 0.622 30.253 29.460 0.285 0.000 1.253 122 W HN 0.119 nan 8.180 nan 0.000 0.533 123 Y N 3.151 123.785 120.300 0.556 0.000 2.345 123 Y HA 0.409 4.959 4.550 -0.001 0.000 0.331 123 Y C 0.335 176.627 175.900 0.654 0.000 0.959 123 Y CA -1.109 57.261 58.100 0.449 0.000 1.204 123 Y CB 1.183 39.601 38.460 -0.070 0.000 1.135 123 Y HN 0.225 nan 8.280 nan 0.000 0.477 124 R N 2.107 123.069 120.500 0.771 0.000 2.562 124 R HA 0.675 5.015 4.340 -0.001 0.000 0.298 124 R C -1.293 175.301 176.300 0.489 0.000 0.961 124 R CA -0.330 56.105 56.100 0.558 0.000 0.881 124 R CB 2.025 32.501 30.300 0.294 0.000 1.159 124 R HN 0.657 nan 8.270 nan 0.000 0.450 125 T N 1.571 116.337 114.554 0.352 0.000 2.900 125 T HA 0.293 4.643 4.350 -0.001 0.000 0.303 125 T C -1.349 173.413 174.700 0.103 0.000 1.142 125 T CA -0.748 61.459 62.100 0.178 0.000 1.007 125 T CB 1.386 70.298 68.868 0.073 0.000 1.156 125 T HN 0.557 nan 8.240 nan 0.000 0.490 126 D N 1.917 122.350 120.400 0.054 0.000 2.348 126 D HA 0.548 5.188 4.640 -0.001 0.000 0.249 126 D C -0.370 175.950 176.300 0.034 0.000 1.110 126 D CA -0.080 53.943 54.000 0.038 0.000 0.967 126 D CB 1.105 41.920 40.800 0.026 0.000 1.139 126 D HN 0.375 nan 8.370 nan 0.000 0.466 127 L N 1.422 122.662 121.223 0.028 0.000 2.470 127 L HA 0.281 4.620 4.340 -0.001 0.000 0.268 127 L C -0.585 176.298 176.870 0.020 0.000 0.964 127 L CA -0.763 54.092 54.840 0.026 0.000 0.839 127 L CB 1.779 43.854 42.059 0.028 0.000 1.276 127 L HN 0.116 nan 8.230 nan 0.000 0.403 128 N N 1.890 120.606 118.700 0.026 0.000 2.458 128 N HA 0.381 5.120 4.740 -0.001 0.000 0.270 128 N C -0.935 174.592 175.510 0.029 0.000 1.102 128 N CA -0.311 52.757 53.050 0.030 0.000 0.967 128 N CB 1.800 40.307 38.487 0.032 0.000 1.078 128 N HN 0.162 nan 8.380 nan 0.000 0.471 129 V N 2.480 122.410 119.914 0.028 0.000 2.326 129 V HA 0.113 4.232 4.120 -0.001 0.000 0.281 129 V C 0.158 176.276 176.094 0.041 0.000 1.015 129 V CA -0.562 61.755 62.300 0.028 0.000 0.823 129 V CB 1.406 33.232 31.823 0.005 0.000 1.009 129 V HN 0.706 nan 8.190 nan 0.000 0.436 130 D N 2.453 122.877 120.400 0.039 0.000 2.269 130 D HA 0.002 4.642 4.640 -0.001 0.000 0.208 130 D C 0.447 176.770 176.300 0.039 0.000 0.963 130 D CA 1.291 55.315 54.000 0.039 0.000 0.864 130 D CB 0.394 41.215 40.800 0.035 0.000 0.936 130 D HN 0.694 nan 8.370 nan 0.000 0.505 131 D N -1.627 118.796 120.400 0.038 0.000 2.738 131 D HA 0.050 4.689 4.640 -0.001 0.000 0.218 131 D C 0.132 176.453 176.300 0.035 0.000 1.345 131 D CA -0.308 53.714 54.000 0.037 0.000 0.943 131 D CB 1.094 41.915 40.800 0.035 0.000 1.514 131 D HN -0.154 nan 8.370 nan 0.000 0.585 132 T N 0.118 114.693 114.554 0.034 0.000 3.163 132 T HA 0.104 4.454 4.350 -0.001 0.000 0.252 132 T C 1.625 176.341 174.700 0.027 0.000 1.056 132 T CA 0.302 62.419 62.100 0.028 0.000 0.947 132 T CB 0.236 69.123 68.868 0.031 0.000 1.016 132 T HN 0.149 nan 8.240 nan 0.000 0.554 133 S N 1.522 117.240 115.700 0.031 0.000 2.359 133 S HA -0.023 4.446 4.470 -0.001 0.000 0.224 133 S C 1.128 175.751 174.600 0.038 0.000 1.035 133 S CA 0.706 58.925 58.200 0.033 0.000 1.018 133 S CB -0.447 62.773 63.200 0.034 0.000 0.876 133 S HN 0.655 nan 8.310 nan 0.000 0.448 134 S N 1.775 117.502 115.700 0.045 0.000 2.565 134 S HA 0.325 4.794 4.470 -0.001 0.000 0.276 134 S C 0.126 174.757 174.600 0.053 0.000 1.326 134 S CA -0.540 57.697 58.200 0.062 0.000 1.045 134 S CB 0.719 63.963 63.200 0.074 0.000 0.918 134 S HN 0.388 nan 8.310 nan 0.000 0.505 135 R N 1.242 121.786 120.500 0.074 0.000 2.784 135 R HA 0.231 4.570 4.340 -0.001 0.000 0.266 135 R C -0.274 176.033 176.300 0.013 0.000 1.044 135 R CA 0.278 56.389 56.100 0.017 0.000 1.151 135 R CB 0.126 30.485 30.300 0.098 0.000 1.037 135 R HN 0.497 nan 8.270 nan 0.000 0.478 136 T N 1.954 116.387 114.554 -0.203 0.000 2.881 136 T HA 0.471 4.820 4.350 -0.001 0.000 0.290 136 T C -1.209 173.303 174.700 -0.313 0.000 1.000 136 T CA -0.656 61.386 62.100 -0.096 0.000 0.978 136 T CB 0.766 69.600 68.868 -0.056 0.000 0.997 136 T HN 0.364 nan 8.240 nan 0.000 0.443 137 Y N 0.979 121.328 120.300 0.083 0.000 2.545 137 Y HA 0.627 5.176 4.550 -0.001 0.000 0.348 137 Y C -0.427 175.564 175.900 0.152 0.000 1.002 137 Y CA -1.435 56.729 58.100 0.107 0.000 1.039 137 Y CB 1.655 40.174 38.460 0.098 0.000 1.271 137 Y HN 0.374 nan 8.280 nan 0.000 0.467 138 L N 2.833 124.273 121.223 0.361 0.000 2.280 138 L HA 0.402 4.742 4.340 -0.001 0.000 0.287 138 L C -1.086 176.079 176.870 0.493 0.000 1.023 138 L CA -0.421 54.682 54.840 0.437 0.000 0.819 138 L CB 1.065 43.406 42.059 0.470 0.000 1.212 138 L HN 0.576 nan 8.230 nan 0.000 0.420 139 D N 4.827 125.485 120.400 0.431 0.000 2.440 139 D HA 0.559 5.198 4.640 -0.001 0.000 0.239 139 D C -1.043 175.467 176.300 0.349 0.000 1.084 139 D CA -0.081 54.079 54.000 0.268 0.000 0.843 139 D CB 1.008 41.905 40.800 0.163 0.000 1.097 139 D HN 0.230 nan 8.370 nan 0.000 0.531 140 F N 0.722 120.781 119.950 0.182 0.000 2.741 140 F HA 0.753 5.280 4.527 -0.001 0.000 0.313 140 F C -0.886 174.999 175.800 0.142 0.000 1.153 140 F CA -0.921 57.168 58.000 0.149 0.000 0.931 140 F CB 0.872 39.969 39.000 0.161 0.000 1.335 140 F HN 0.186 nan 8.300 nan 0.000 0.460 141 S N -1.181 114.672 115.700 0.256 0.000 2.790 141 S HA 0.726 5.195 4.470 -0.001 0.000 0.292 141 S C 0.180 174.884 174.600 0.173 0.000 1.197 141 S CA -0.470 57.837 58.200 0.178 0.000 0.851 141 S CB 0.852 64.088 63.200 0.060 0.000 1.217 141 S HN 2.638 nan 8.310 nan 0.000 0.526 142 G N -0.267 108.569 108.800 0.060 0.000 2.137 142 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.237 142 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.237 142 G C 0.131 174.986 174.900 -0.076 0.000 1.002 142 G CA 0.141 45.216 45.100 -0.043 0.000 0.702 142 G HN 2.038 nan 8.290 nan 0.000 0.515 143 V N -0.766 119.138 119.914 -0.016 0.000 2.408 143 V HA 0.754 4.873 4.120 -0.001 0.000 0.267 143 V C 0.490 176.534 176.094 -0.084 0.000 1.047 143 V CA -0.982 61.271 62.300 -0.079 0.000 0.937 143 V CB 1.222 33.047 31.823 0.004 0.000 0.999 143 V HN 0.347 nan 8.190 nan 0.000 0.472 144 L N 5.579 126.731 121.223 -0.117 0.000 2.298 144 L HA 0.467 4.806 4.340 -0.001 0.000 0.284 144 L C 1.098 177.937 176.870 -0.052 0.000 1.013 144 L CA -0.204 54.582 54.840 -0.089 0.000 0.824 144 L CB 1.742 43.745 42.059 -0.092 0.000 1.221 144 L HN 0.892 nan 8.230 nan 0.000 0.418 145 S N 1.874 117.566 115.700 -0.014 0.000 2.492 145 S HA 0.130 4.600 4.470 -0.001 0.000 0.218 145 S C 0.365 174.941 174.600 -0.040 0.000 1.016 145 S CA -0.112 58.063 58.200 -0.043 0.000 0.916 145 S CB 0.257 63.428 63.200 -0.048 0.000 0.791 145 S HN 0.776 nan 8.310 nan 0.000 0.513 146 K N -0.651 119.753 120.400 0.006 0.000 2.685 146 K HA 0.734 5.054 4.320 -0.001 0.000 0.290 146 K C -1.873 174.792 176.600 0.109 0.000 1.018 146 K CA -0.943 55.340 56.287 -0.008 0.000 0.860 146 K CB 0.950 33.375 32.500 -0.125 0.000 1.498 146 K HN 0.237 nan 8.250 nan 0.000 0.390 147 A N 1.065 123.945 122.820 0.100 0.000 2.589 147 A HA 0.515 4.835 4.320 -0.001 0.000 0.296 147 A C -1.884 175.800 177.584 0.167 0.000 1.062 147 A CA -0.882 51.287 52.037 0.219 0.000 0.686 147 A CB 1.451 20.570 19.000 0.200 0.000 1.282 147 A HN 0.675 nan 8.150 nan 0.000 0.404 148 D N 0.958 121.502 120.400 0.239 0.000 2.255 148 D HA 0.480 5.119 4.640 -0.001 0.000 0.249 148 D C -0.428 175.935 176.300 0.105 0.000 1.078 148 D CA 0.147 54.228 54.000 0.134 0.000 0.896 148 D CB 1.847 42.800 40.800 0.255 0.000 1.194 148 D HN 0.227 nan 8.370 nan 0.000 0.429 149 V N 2.046 121.917 119.914 -0.072 0.000 2.448 149 V HA 0.417 4.536 4.120 -0.001 0.000 0.295 149 V C -0.818 175.145 176.094 -0.218 0.000 1.025 149 V CA -0.863 61.332 62.300 -0.174 0.000 0.859 149 V CB 1.345 33.038 31.823 -0.217 0.000 0.988 149 V HN 0.463 nan 8.190 nan 0.000 0.431 150 W N 2.792 124.017 121.300 -0.125 0.000 2.785 150 W HA 0.774 5.434 4.660 -0.001 0.000 0.333 150 W C -0.890 175.581 176.519 -0.081 0.000 1.062 150 W CA -0.686 56.638 57.345 -0.035 0.000 1.233 150 W CB 2.222 31.730 29.460 0.080 0.000 1.413 150 W HN 0.323 nan 8.180 nan 0.000 0.489 151 V N 4.131 124.138 119.914 0.155 0.000 2.525 151 V HA 0.256 4.375 4.120 -0.001 0.000 0.299 151 V C -0.118 176.035 176.094 0.097 0.000 1.034 151 V CA -1.329 61.015 62.300 0.073 0.000 0.863 151 V CB 1.572 33.395 31.823 -0.001 0.000 0.999 151 V HN 0.705 nan 8.190 nan 0.000 0.423 152 N N 3.754 122.500 118.700 0.076 0.000 2.710 152 N HA -0.227 4.512 4.740 -0.001 0.000 0.249 152 N C 1.158 176.744 175.510 0.125 0.000 1.059 152 N CA 1.668 54.773 53.050 0.092 0.000 0.720 152 N CB -0.974 37.565 38.487 0.087 0.000 0.983 152 N HN 1.627 nan 8.380 nan 0.000 0.544 153 G N -2.769 106.132 108.800 0.169 0.000 2.175 153 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.244 153 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.244 153 G C 0.065 175.204 174.900 0.399 0.000 0.982 153 G CA 0.544 45.777 45.100 0.222 0.000 0.641 153 G HN 0.512 nan 8.290 nan 0.000 0.527 154 T N 0.911 115.662 114.554 0.328 0.000 2.792 154 T HA 0.480 4.830 4.350 -0.001 0.000 0.280 154 T C 0.020 174.630 174.700 -0.150 0.000 0.990 154 T CA -0.523 61.646 62.100 0.114 0.000 0.960 154 T CB 1.839 70.724 68.868 0.028 0.000 0.939 154 T HN 0.293 nan 8.240 nan 0.000 0.439 155 K N 3.437 123.402 120.400 -0.726 0.000 2.336 155 K HA 0.172 4.491 4.320 -0.001 0.000 0.290 155 K C 1.312 177.596 176.600 -0.526 0.000 1.067 155 K CA -0.202 55.369 56.287 -1.194 0.000 0.962 155 K CB 0.287 31.861 32.500 -1.544 0.000 1.008 155 K HN 0.529 nan 8.250 nan 0.000 0.467 156 V N 1.192 120.883 119.914 -0.371 0.000 3.235 156 V HA 0.324 4.444 4.120 -0.001 0.000 0.259 156 V C 0.348 176.350 176.094 -0.153 0.000 1.133 156 V CA 0.630 62.815 62.300 -0.191 0.000 1.128 156 V CB -0.140 31.619 31.823 -0.107 0.000 0.757 156 V HN 0.612 nan 8.190 nan 0.000 0.469 157 A N 0.233 122.934 122.820 -0.198 0.000 2.594 157 A HA 0.719 5.038 4.320 -0.001 0.000 0.296 157 A C -0.227 177.266 177.584 -0.151 0.000 1.061 157 A CA 0.141 52.103 52.037 -0.126 0.000 0.689 157 A CB 1.235 20.211 19.000 -0.040 0.000 1.280 157 A HN 0.682 nan 8.150 nan 0.000 0.406 158 T N -1.520 112.965 114.554 -0.115 0.000 2.938 158 T HA 0.494 4.843 4.350 -0.001 0.000 0.285 158 T C 0.900 175.543 174.700 -0.095 0.000 1.028 158 T CA 0.006 62.047 62.100 -0.098 0.000 1.005 158 T CB 1.299 70.111 68.868 -0.095 0.000 1.157 158 T HN 0.914 nan 8.240 nan 0.000 0.550 159 K N 0.112 120.437 120.400 -0.126 0.000 2.360 159 K HA -0.081 4.238 4.320 -0.001 0.000 0.201 159 K C 0.893 177.370 176.600 -0.205 0.000 1.046 159 K CA 1.287 57.442 56.287 -0.219 0.000 0.945 159 K CB -0.192 31.970 32.500 -0.563 0.000 0.750 159 K HN 0.456 nan 8.250 nan 0.000 0.464 160 D N 1.072 121.375 120.400 -0.162 0.000 2.194 160 D HA -0.139 4.501 4.640 -0.001 0.000 0.204 160 D C 1.922 178.166 176.300 -0.094 0.000 0.964 160 D CA 1.036 54.959 54.000 -0.129 0.000 0.846 160 D CB 0.152 40.889 40.800 -0.105 0.000 0.962 160 D HN 0.500 nan 8.370 nan 0.000 0.490 161 Q N 0.324 120.074 119.800 -0.083 0.000 2.178 161 Q HA 0.004 4.343 4.340 -0.001 0.000 0.195 161 Q C 0.278 176.235 176.000 -0.072 0.000 0.960 161 Q CA 0.434 56.208 55.803 -0.049 0.000 0.843 161 Q CB 0.645 29.358 28.738 -0.043 0.000 0.927 161 Q HN -0.068 nan 8.270 nan 0.000 0.487 162 V N 3.255 123.060 119.914 -0.183 0.000 2.276 162 V HA 0.228 4.347 4.120 -0.001 0.000 0.249 162 V C -0.469 175.555 176.094 -0.116 0.000 1.160 162 V CA -0.261 61.822 62.300 -0.362 0.000 1.042 162 V CB 0.089 31.761 31.823 -0.252 0.000 1.224 162 V HN 0.274 nan 8.190 nan 0.000 0.496 163 N N 3.504 122.201 118.700 -0.005 0.000 2.537 163 N HA 0.539 5.278 4.740 -0.001 0.000 0.281 163 N C -0.515 174.995 175.510 -0.000 0.000 1.097 163 N CA 0.585 53.614 53.050 -0.035 0.000 0.964 163 N CB 2.130 40.559 38.487 -0.097 0.000 1.588 163 N HN 0.822 nan 8.380 nan 0.000 0.511 164 G N 1.637 110.415 108.800 -0.037 0.000 3.225 164 G HA2 0.166 4.125 3.960 -0.001 0.000 0.686 164 G HA3 0.166 4.125 3.960 -0.001 0.000 0.686 164 G C 0.729 175.640 174.900 0.018 0.000 1.105 164 G CA -0.041 45.037 45.100 -0.037 0.000 0.831 164 G HN 0.842 nan 8.290 nan 0.000 0.578 165 A N 1.788 124.572 122.820 -0.061 0.000 1.940 165 A HA 0.037 4.356 4.320 -0.001 0.000 0.219 165 A C 1.784 179.228 177.584 -0.233 0.000 1.176 165 A CA 2.490 54.399 52.037 -0.214 0.000 0.631 165 A CB -0.321 18.418 19.000 -0.435 0.000 0.814 165 A HN 1.186 nan 8.150 nan 0.000 0.446 166 Y N 0.572 120.960 120.300 0.146 0.000 2.462 166 Y HA 0.104 4.654 4.550 -0.001 0.000 0.261 166 Y C 1.393 177.342 175.900 0.082 0.000 1.146 166 Y CA 0.360 58.549 58.100 0.148 0.000 1.283 166 Y CB -0.118 38.499 38.460 0.262 0.000 1.090 166 Y HN 0.293 nan 8.280 nan 0.000 0.526 167 T N -0.320 114.330 114.554 0.161 0.000 2.884 167 T HA 0.228 4.578 4.350 -0.001 0.000 0.298 167 T C -0.115 174.427 174.700 -0.263 0.000 0.998 167 T CA -0.857 61.230 62.100 -0.020 0.000 1.124 167 T CB 1.651 70.510 68.868 -0.015 0.000 0.931 167 T HN 0.224 nan 8.240 nan 0.000 0.531 168 R N 1.824 122.083 120.500 -0.403 0.000 2.474 168 R HA 0.364 4.703 4.340 -0.001 0.000 0.295 168 R C -0.777 174.995 176.300 -0.880 0.000 0.980 168 R CA -0.747 55.079 56.100 -0.457 0.000 0.934 168 R CB 0.676 30.866 30.300 -0.182 0.000 1.101 168 R HN 0.817 nan 8.270 nan 0.000 0.469 169 H N 1.882 120.681 119.070 -0.453 0.000 2.679 169 H HA 0.202 4.758 4.556 -0.001 0.000 0.360 169 H C -1.248 173.882 175.328 -0.331 0.000 1.105 169 H CA -0.786 54.982 56.048 -0.467 0.000 1.196 169 H CB 2.290 31.602 29.762 -0.749 0.000 1.636 169 H HN 0.564 nan 8.280 nan 0.000 0.531 170 D N 3.781 124.176 120.400 -0.007 0.000 2.378 170 D HA 0.220 4.859 4.640 -0.001 0.000 0.265 170 D C -0.815 175.606 176.300 0.202 0.000 1.229 170 D CA -0.391 53.664 54.000 0.093 0.000 0.914 170 D CB 0.127 40.950 40.800 0.038 0.000 1.140 170 D HN 0.363 nan 8.370 nan 0.000 0.516 171 L N 2.023 123.403 121.223 0.262 0.000 2.264 171 L HA 0.368 4.707 4.340 -0.001 0.000 0.289 171 L C 0.419 177.415 176.870 0.210 0.000 1.044 171 L CA -0.890 54.086 54.840 0.227 0.000 0.807 171 L CB 1.249 43.445 42.059 0.228 0.000 1.192 171 L HN 0.188 nan 8.230 nan 0.000 0.425 172 D N 4.789 125.262 120.400 0.122 0.000 2.336 172 D HA 0.150 4.789 4.640 -0.001 0.000 0.249 172 D C 0.598 176.798 176.300 -0.167 0.000 1.213 172 D CA -0.148 53.738 54.000 -0.190 0.000 0.870 172 D CB 1.083 41.806 40.800 -0.127 0.000 1.076 172 D HN 0.556 nan 8.370 nan 0.000 0.483 173 I N 0.658 121.102 120.570 -0.210 0.000 3.927 173 I HA 0.134 4.303 4.170 -0.001 0.000 0.332 173 I C 1.101 177.136 176.117 -0.137 0.000 1.485 173 I CA -0.503 60.725 61.300 -0.120 0.000 1.131 173 I CB 0.261 38.228 38.000 -0.055 0.000 1.092 173 I HN 0.018 nan 8.210 nan 0.000 0.410 174 T N 1.814 116.245 114.554 -0.204 0.000 2.737 174 T HA -0.210 4.139 4.350 -0.001 0.000 0.269 174 T C 2.046 176.697 174.700 -0.082 0.000 1.040 174 T CA 2.164 64.172 62.100 -0.153 0.000 1.142 174 T CB -0.125 68.637 68.868 -0.177 0.000 0.861 174 T HN 0.654 nan 8.240 nan 0.000 0.456 175 A N 0.627 123.406 122.820 -0.068 0.000 2.066 175 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 175 A C 2.201 179.775 177.584 -0.018 0.000 1.157 175 A CA 1.082 53.099 52.037 -0.034 0.000 0.670 175 A CB -0.332 18.651 19.000 -0.029 0.000 0.804 175 A HN 0.402 nan 8.150 nan 0.000 0.453 176 Q N -0.881 118.901 119.800 -0.031 0.000 2.354 176 Q HA 0.198 4.537 4.340 -0.001 0.000 0.203 176 Q C 0.282 176.254 176.000 -0.047 0.000 0.933 176 Q CA 0.252 56.045 55.803 -0.018 0.000 0.901 176 Q CB 0.136 28.860 28.738 -0.023 0.000 1.007 176 Q HN 0.361 nan 8.270 nan 0.000 0.495 177 V N 2.950 122.817 119.914 -0.078 0.000 2.583 177 V HA 0.131 4.251 4.120 -0.001 0.000 0.287 177 V C 0.094 176.139 176.094 -0.082 0.000 1.051 177 V CA -0.287 61.925 62.300 -0.146 0.000 1.010 177 V CB 0.465 32.225 31.823 -0.105 0.000 0.988 177 V HN 0.403 nan 8.190 nan 0.000 0.478 178 H N 1.347 120.422 119.070 0.008 0.000 2.855 178 H HA 0.680 5.236 4.556 -0.001 0.000 0.363 178 H C -0.001 175.334 175.328 0.012 0.000 1.185 178 H CA -0.605 55.449 56.048 0.009 0.000 1.174 178 H CB 1.726 31.493 29.762 0.009 0.000 1.857 178 H HN 0.636 nan 8.280 nan 0.000 0.565 179 T N 0.267 114.954 114.554 0.222 0.000 2.928 179 T HA 0.420 4.770 4.350 -0.001 0.000 0.305 179 T C 1.170 175.997 174.700 0.212 0.000 1.035 179 T CA 1.296 63.488 62.100 0.153 0.000 1.145 179 T CB -0.489 nan 68.868 nan 0.000 0.963 179 T HN 1.140 nan 8.240 nan 0.000 0.545 180 G N 1.037 109.917 108.800 0.133 0.000 2.481 180 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.230 180 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.230 180 G C -0.128 174.847 174.900 0.125 0.000 1.210 180 G CA -0.192 44.978 45.100 0.117 0.000 0.936 180 G HN 1.456 nan 8.290 nan 0.000 0.583 181 V N 3.166 123.162 119.914 0.136 0.000 2.439 181 V HA 0.337 4.456 4.120 -0.001 0.000 0.271 181 V C 0.632 176.818 176.094 0.153 0.000 1.040 181 V CA -0.140 62.226 62.300 0.109 0.000 1.002 181 V CB 0.589 32.459 31.823 0.078 0.000 1.000 181 V HN 0.592 nan 8.190 nan 0.000 0.477 182 N N 2.800 121.512 118.700 0.021 0.000 2.432 182 N HA 0.603 5.343 4.740 -0.001 0.000 0.292 182 N C -0.804 174.703 175.510 -0.005 0.000 1.193 182 N CA -0.536 52.467 53.050 -0.079 0.000 0.878 182 N CB 2.150 40.513 38.487 -0.208 0.000 1.252 182 N HN 0.564 nan 8.380 nan 0.000 0.520 183 S N 0.339 116.037 115.700 -0.003 0.000 2.541 183 S HA 0.542 5.012 4.470 -0.001 0.000 0.280 183 S C -0.803 173.817 174.600 0.034 0.000 1.112 183 S CA -0.635 57.580 58.200 0.025 0.000 0.925 183 S CB 2.070 65.281 63.200 0.019 0.000 1.067 183 S HN 0.241 nan 8.310 nan 0.000 0.479 184 V N 1.554 121.512 119.914 0.074 0.000 2.709 184 V HA 0.949 5.068 4.120 -0.001 0.000 0.308 184 V C -0.513 175.675 176.094 0.157 0.000 1.062 184 V CA -0.551 61.795 62.300 0.076 0.000 0.901 184 V CB 1.724 33.593 31.823 0.077 0.000 1.003 184 V HN 1.056 nan 8.190 nan 0.000 0.425 185 A N 3.849 126.750 122.820 0.136 0.000 2.488 185 A HA 0.900 5.219 4.320 -0.001 0.000 0.298 185 A C -1.501 176.264 177.584 0.301 0.000 1.044 185 A CA -0.384 51.870 52.037 0.362 0.000 0.693 185 A CB 1.235 20.452 19.000 0.361 0.000 1.272 185 A HN 0.605 nan 8.150 nan 0.000 0.402 186 F N 1.439 121.636 119.950 0.411 0.000 2.458 186 F HA 0.490 5.016 4.527 -0.001 0.000 0.336 186 F C 0.649 176.457 175.800 0.013 0.000 1.114 186 F CA -0.389 57.716 58.000 0.176 0.000 0.987 186 F CB 2.186 41.160 39.000 -0.043 0.000 1.130 186 F HN 0.537 nan 8.300 nan 0.000 0.458 187 K N 4.056 124.332 120.400 -0.207 0.000 2.266 187 K HA 0.466 4.786 4.320 -0.001 0.000 0.274 187 K C -1.251 175.174 176.600 -0.291 0.000 1.090 187 K CA -0.319 55.474 56.287 -0.824 0.000 0.925 187 K CB 0.706 32.401 32.500 -1.342 0.000 1.225 187 K HN 0.505 nan 8.250 nan 0.000 0.458 188 V N 5.909 125.721 119.914 -0.171 0.000 2.406 188 V HA 0.179 4.298 4.120 -0.001 0.000 0.272 188 V C -0.299 175.766 176.094 -0.049 0.000 1.043 188 V CA -0.641 61.646 62.300 -0.022 0.000 0.915 188 V CB 0.131 31.924 31.823 -0.051 0.000 0.988 188 V HN 0.580 nan 8.190 nan 0.000 0.466 189 Y N 5.331 125.613 120.300 -0.030 0.000 2.301 189 Y HA 0.322 4.871 4.550 -0.001 0.000 0.328 189 Y C -1.768 174.142 175.900 0.018 0.000 1.242 189 Y CA -2.190 55.907 58.100 -0.005 0.000 1.323 189 Y CB 0.672 39.116 38.460 -0.027 0.000 1.266 189 Y HN 0.467 nan 8.280 nan 0.000 0.527 190 P HA -0.109 nan 4.420 nan 0.000 0.266 190 P C -0.991 176.357 177.300 0.080 0.000 1.193 190 P CA 0.280 63.456 63.100 0.126 0.000 0.770 190 P CB 0.427 32.206 31.700 0.132 0.000 0.836 191 N N 1.932 120.655 118.700 0.038 0.000 2.419 191 N HA 0.242 4.981 4.740 -0.001 0.000 0.277 191 N C -1.407 174.100 175.510 -0.005 0.000 1.006 191 N CA -0.345 52.704 53.050 -0.001 0.000 0.923 191 N CB 0.456 38.929 38.487 -0.023 0.000 1.140 191 N HN 0.155 nan 8.380 nan 0.000 0.488 192 D N 4.222 124.606 120.400 -0.027 0.000 2.462 192 D HA 0.339 4.979 4.640 -0.001 0.000 0.245 192 D C -1.949 174.314 176.300 -0.063 0.000 1.122 192 D CA -2.215 51.766 54.000 -0.032 0.000 0.864 192 D CB 1.898 42.681 40.800 -0.028 0.000 1.098 192 D HN 0.363 nan 8.370 nan 0.000 0.541 193 P HA -0.090 nan 4.420 nan 0.000 0.223 193 P C 0.441 177.697 177.300 -0.073 0.000 1.144 193 P CA 0.888 63.944 63.100 -0.073 0.000 0.783 193 P CB 0.383 32.040 31.700 -0.072 0.000 0.771 194 N N -0.743 117.921 118.700 -0.060 0.000 2.416 194 N HA -0.011 4.729 4.740 -0.001 0.000 0.177 194 N C 2.057 177.515 175.510 -0.087 0.000 1.036 194 N CA 0.142 53.160 53.050 -0.053 0.000 0.901 194 N CB -0.043 38.426 38.487 -0.030 0.000 0.976 194 N HN 0.092 nan 8.380 nan 0.000 0.444 195 R N 0.291 120.723 120.500 -0.114 0.000 2.191 195 R HA 0.104 4.444 4.340 -0.001 0.000 0.196 195 R C -0.742 175.419 176.300 -0.232 0.000 0.991 195 R CA 0.347 56.360 56.100 -0.146 0.000 1.075 195 R CB 0.619 30.856 30.300 -0.105 0.000 1.040 195 R HN 0.059 nan 8.270 nan 0.000 0.526 196 D N 1.330 121.593 120.400 -0.229 0.000 2.163 196 D HA 0.164 4.803 4.640 -0.001 0.000 0.248 196 D C -0.448 175.602 176.300 -0.416 0.000 1.035 196 D CA -0.363 53.463 54.000 -0.291 0.000 0.872 196 D CB 2.064 42.751 40.800 -0.189 0.000 1.183 196 D HN 0.109 nan 8.370 nan 0.000 0.445 197 L N 2.096 122.960 121.223 -0.599 0.000 2.382 197 L HA 0.081 4.420 4.340 -0.001 0.000 0.259 197 L C 0.910 177.581 176.870 -0.331 0.000 1.291 197 L CA 0.273 54.519 54.840 -0.990 0.000 1.176 197 L CB -0.290 41.029 42.059 -1.232 0.000 1.373 197 L HN 0.237 nan 8.230 nan 0.000 0.426 198 S N 1.859 117.548 115.700 -0.018 0.000 4.199 198 S HA 0.673 5.143 4.470 -0.001 0.000 0.257 198 S C -0.621 174.078 174.600 0.165 0.000 1.079 198 S CA -0.596 57.642 58.200 0.062 0.000 1.498 198 S CB 1.064 64.215 63.200 -0.082 0.000 1.260 198 S HN 0.354 nan 8.310 nan 0.000 0.749 199 M N 1.097 120.640 119.600 -0.096 0.000 2.395 199 M HA 0.624 5.104 4.480 -0.001 0.000 0.307 199 M C -0.182 175.898 176.300 -0.368 0.000 1.091 199 M CA -0.668 54.435 55.300 -0.329 0.000 0.919 199 M CB 1.980 34.297 32.600 -0.473 0.000 1.662 199 M HN 0.695 nan 8.290 nan 0.000 0.440 200 G N 0.556 109.061 108.800 -0.493 0.000 2.730 200 G HA2 0.609 4.568 3.960 -0.001 0.000 0.289 200 G HA3 0.609 4.568 3.960 -0.001 0.000 0.289 200 G C -1.477 173.047 174.900 -0.626 0.000 1.341 200 G CA -0.516 44.330 45.100 -0.423 0.000 0.932 200 G HN 0.956 nan 8.290 nan 0.000 0.481 201 W N 0.309 121.517 121.300 -0.154 0.000 3.239 201 W HA 0.375 5.034 4.660 -0.001 0.000 0.348 201 W C 1.431 177.661 176.519 -0.482 0.000 1.183 201 W CA -0.298 56.860 57.345 -0.312 0.000 1.819 201 W CB -0.404 28.916 29.460 -0.233 0.000 1.091 201 W HN 0.517 nan 8.180 nan 0.000 0.629 202 I N 0.786 121.228 120.570 -0.213 0.000 4.906 202 I HA -0.507 3.662 4.170 -0.001 0.000 0.038 202 I C 1.347 177.497 176.117 0.055 0.000 0.635 202 I CA 2.074 63.293 61.300 -0.135 0.000 0.215 202 I CB -0.937 36.899 38.000 -0.273 0.000 0.324 202 I HN 0.068 nan 8.210 nan 0.000 0.150 203 D N -0.998 119.541 120.400 0.232 0.000 2.563 203 D HA 0.082 4.722 4.640 -0.001 0.000 0.237 203 D C 0.933 177.579 176.300 0.577 0.000 1.282 203 D CA -0.232 54.005 54.000 0.396 0.000 0.816 203 D CB -0.329 40.795 40.800 0.540 0.000 1.066 203 D HN 0.574 nan 8.370 nan 0.000 0.501 204 W N 1.999 123.515 121.300 0.360 0.000 2.374 204 W HA 0.404 5.064 4.660 -0.001 0.000 0.288 204 W C 1.254 177.851 176.519 0.129 0.000 1.218 204 W CA 0.647 58.185 57.345 0.322 0.000 1.245 204 W CB -0.673 28.924 29.460 0.229 0.000 1.126 204 W HN 0.255 nan 8.180 nan 0.000 0.545 205 A N -1.506 121.381 122.820 0.112 0.000 4.367 205 A HA 0.566 4.885 4.320 -0.001 0.000 0.174 205 A C -0.546 176.754 177.584 -0.474 0.000 0.690 205 A CA -0.442 51.395 52.037 -0.333 0.000 0.856 205 A CB 0.518 18.930 19.000 -0.980 0.000 1.848 205 A HN -0.157 nan 8.150 nan 0.000 0.887 206 Q N 0.276 119.511 119.800 -0.942 0.000 2.399 206 Q HA 0.504 4.843 4.340 -0.001 0.000 0.276 206 Q C -1.286 174.374 176.000 -0.566 0.000 1.098 206 Q CA -0.485 54.905 55.803 -0.690 0.000 0.827 206 Q CB 1.678 29.870 28.738 -0.911 0.000 1.386 206 Q HN 0.648 nan 8.270 nan 0.000 0.443 207 T N 3.850 118.237 114.554 -0.278 0.000 2.799 207 T HA 0.228 4.578 4.350 -0.001 0.000 0.296 207 T C -2.209 172.396 174.700 -0.159 0.000 0.947 207 T CA -0.867 61.138 62.100 -0.158 0.000 1.141 207 T CB 0.116 68.953 68.868 -0.051 0.000 0.891 207 T HN 0.250 nan 8.240 nan 0.000 0.533 208 P HA 0.144 nan 4.420 nan 0.000 0.268 208 P C -2.081 175.112 177.300 -0.177 0.000 1.204 208 P CA -1.526 61.560 63.100 -0.024 0.000 0.768 208 P CB 0.315 32.100 31.700 0.141 0.000 0.842 209 P HA -0.173 nan 4.420 nan 0.000 0.218 209 P C 0.861 177.963 177.300 -0.330 0.000 1.148 209 P CA 1.605 64.487 63.100 -0.363 0.000 0.822 209 P CB -0.108 31.250 31.700 -0.569 0.000 0.784 210 D N -1.510 118.436 120.400 -0.756 0.000 2.339 210 D HA -0.036 4.604 4.640 -0.001 0.000 0.217 210 D C 0.650 176.782 176.300 -0.281 0.000 1.050 210 D CA -0.079 53.399 54.000 -0.870 0.000 0.856 210 D CB -0.818 39.142 40.800 -1.400 0.000 0.922 210 D HN 0.047 nan 8.370 nan 0.000 0.518 211 Q N 0.323 120.039 119.800 -0.141 0.000 2.457 211 Q HA -0.270 4.069 4.340 -0.001 0.000 0.283 211 Q C -0.545 175.462 176.000 0.012 0.000 1.234 211 Q CA 0.821 56.617 55.803 -0.010 0.000 0.877 211 Q CB -1.657 27.081 28.738 -0.000 0.000 1.250 211 Q HN 0.329 nan 8.270 nan 0.000 0.481 212 N N -2.045 116.666 118.700 0.018 0.000 2.753 212 N HA -0.239 4.501 4.740 -0.001 0.000 0.251 212 N C 0.202 175.699 175.510 -0.021 0.000 1.097 212 N CA 1.715 54.799 53.050 0.057 0.000 0.786 212 N CB -1.904 36.675 38.487 0.154 0.000 1.137 212 N HN 0.768 nan 8.380 nan 0.000 0.566 213 M N -0.945 118.608 119.600 -0.078 0.000 2.250 213 M HA 0.406 4.886 4.480 -0.001 0.000 0.337 213 M C 0.981 177.236 176.300 -0.075 0.000 1.161 213 M CA 1.174 56.432 55.300 -0.070 0.000 1.088 213 M CB 0.797 33.371 32.600 -0.044 0.000 1.639 213 M HN 0.241 nan 8.290 nan 0.000 0.447 214 G N 3.034 111.758 108.800 -0.128 0.000 2.320 214 G HA2 0.237 4.196 3.960 -0.001 0.000 0.274 214 G HA3 0.237 4.196 3.960 -0.001 0.000 0.274 214 G C -1.628 172.987 174.900 -0.475 0.000 1.324 214 G CA -0.910 44.013 45.100 -0.295 0.000 0.957 214 G HN 0.892 nan 8.290 nan 0.000 0.481 215 I N 1.573 121.775 120.570 -0.614 0.000 2.420 215 I HA 0.379 4.549 4.170 -0.001 0.000 0.282 215 I C 1.092 177.085 176.117 -0.208 0.000 1.019 215 I CA -0.818 60.186 61.300 -0.494 0.000 1.130 215 I CB 1.807 39.317 38.000 -0.817 0.000 1.262 215 I HN 0.695 nan 8.210 nan 0.000 0.454 216 V N 2.007 121.854 119.914 -0.111 0.000 3.621 216 V HA 0.413 4.532 4.120 -0.001 0.000 0.285 216 V C 0.797 176.885 176.094 -0.010 0.000 1.346 216 V CA 0.225 62.517 62.300 -0.013 0.000 1.104 216 V CB -0.590 31.241 31.823 0.013 0.000 0.913 216 V HN 0.658 nan 8.190 nan 0.000 0.432 217 R N -0.118 120.364 120.500 -0.030 0.000 3.029 217 R HA 0.545 4.885 4.340 -0.001 0.000 0.239 217 R C -1.044 175.274 176.300 0.030 0.000 1.351 217 R CA -0.973 55.113 56.100 -0.023 0.000 1.052 217 R CB 0.613 30.909 30.300 -0.007 0.000 1.354 217 R HN 0.179 nan 8.270 nan 0.000 0.499 218 D N 0.582 121.016 120.400 0.057 0.000 2.341 218 D HA 0.182 4.822 4.640 -0.001 0.000 0.245 218 D C -0.602 175.803 176.300 0.174 0.000 1.106 218 D CA -0.072 54.001 54.000 0.122 0.000 0.905 218 D CB 1.441 42.309 40.800 0.113 0.000 1.202 218 D HN -0.005 nan 8.370 nan 0.000 0.426 219 V N 2.862 122.906 119.914 0.217 0.000 2.370 219 V HA 0.248 4.367 4.120 -0.001 0.000 0.279 219 V C 0.324 176.584 176.094 0.277 0.000 1.029 219 V CA -0.664 61.809 62.300 0.289 0.000 0.870 219 V CB 1.000 32.979 31.823 0.259 0.000 0.984 219 V HN 0.276 nan 8.190 nan 0.000 0.451 220 L N 5.402 126.800 121.223 0.291 0.000 2.292 220 L HA 0.491 4.830 4.340 -0.001 0.000 0.284 220 L C -0.281 176.736 176.870 0.244 0.000 1.065 220 L CA -0.652 54.323 54.840 0.225 0.000 0.806 220 L CB 1.678 43.847 42.059 0.184 0.000 1.175 220 L HN 0.356 nan 8.230 nan 0.000 0.431 221 V N 4.340 124.372 119.914 0.197 0.000 2.368 221 V HA 0.343 4.462 4.120 -0.001 0.000 0.266 221 V C 0.307 176.505 176.094 0.173 0.000 1.045 221 V CA -0.515 61.897 62.300 0.187 0.000 0.899 221 V CB 0.636 32.546 31.823 0.145 0.000 1.006 221 V HN 0.690 nan 8.190 nan 0.000 0.470 222 R N 4.886 125.515 120.500 0.214 0.000 2.532 222 R HA 0.726 5.066 4.340 -0.001 0.000 0.295 222 R C -0.685 175.767 176.300 0.254 0.000 0.968 222 R CA -0.922 55.301 56.100 0.205 0.000 0.916 222 R CB 1.787 32.196 30.300 0.181 0.000 1.124 222 R HN 0.520 nan 8.270 nan 0.000 0.463 223 R N 0.932 121.547 120.500 0.191 0.000 2.628 223 R HA 0.507 4.846 4.340 -0.001 0.000 0.288 223 R C -0.871 175.528 176.300 0.165 0.000 0.980 223 R CA -0.743 55.468 56.100 0.184 0.000 0.891 223 R CB 2.095 32.466 30.300 0.118 0.000 1.188 223 R HN 0.951 nan 8.270 nan 0.000 0.450 224 S N -1.085 114.730 115.700 0.192 0.000 2.587 224 S HA 0.652 5.121 4.470 -0.001 0.000 0.269 224 S C 0.090 174.776 174.600 0.144 0.000 1.154 224 S CA -0.559 57.727 58.200 0.144 0.000 0.824 224 S CB 1.713 64.979 63.200 0.111 0.000 1.118 224 S HN 0.613 nan 8.310 nan 0.000 0.462 225 G N 0.577 109.438 108.800 0.103 0.000 2.580 225 G HA2 0.502 4.462 3.960 -0.001 0.000 0.225 225 G HA3 0.502 4.462 3.960 -0.001 0.000 0.225 225 G C 1.320 176.281 174.900 0.103 0.000 1.521 225 G CA -0.156 44.997 45.100 0.089 0.000 1.068 225 G HN 1.469 nan 8.290 nan 0.000 0.564 226 A N -1.670 121.197 122.820 0.077 0.000 1.986 226 A HA 0.157 4.476 4.320 -0.001 0.000 0.220 226 A C 0.999 178.632 177.584 0.082 0.000 1.171 226 A CA 1.385 53.467 52.037 0.075 0.000 0.640 226 A CB -0.469 18.562 19.000 0.051 0.000 0.811 226 A HN 0.460 nan 8.150 nan 0.000 0.451 227 V N -0.392 119.561 119.914 0.066 0.000 2.417 227 V HA 0.609 4.728 4.120 -0.001 0.000 0.291 227 V C 0.162 176.271 176.094 0.025 0.000 1.024 227 V CA -0.432 61.895 62.300 0.045 0.000 0.861 227 V CB 1.203 33.045 31.823 0.031 0.000 0.985 227 V HN 0.495 nan 8.190 nan 0.000 0.436 228 A N 5.114 127.925 122.820 -0.016 0.000 2.290 228 A HA 0.800 5.120 4.320 -0.001 0.000 0.310 228 A C -0.883 176.662 177.584 -0.066 0.000 1.202 228 A CA -0.417 51.554 52.037 -0.110 0.000 0.837 228 A CB 0.909 19.735 19.000 -0.291 0.000 1.139 228 A HN 0.763 nan 8.150 nan 0.000 0.509 229 L N 2.255 123.446 121.223 -0.053 0.000 2.309 229 L HA 0.856 5.196 4.340 -0.001 0.000 0.282 229 L C -0.076 176.781 176.870 -0.021 0.000 1.036 229 L CA -0.045 54.787 54.840 -0.012 0.000 0.806 229 L CB 1.228 43.296 42.059 0.014 0.000 1.220 229 L HN 0.810 nan 8.230 nan 0.000 0.429 230 R N 2.064 122.569 120.500 0.008 0.000 2.643 230 R HA 0.476 4.815 4.340 -0.001 0.000 0.269 230 R C -0.169 176.164 176.300 0.055 0.000 1.037 230 R CA 0.149 56.256 56.100 0.012 0.000 0.894 230 R CB 1.826 32.120 30.300 -0.009 0.000 1.238 230 R HN 0.640 nan 8.270 nan 0.000 0.459 231 S N 0.715 116.448 115.700 0.055 0.000 3.635 231 S HA -0.190 4.279 4.470 -0.001 0.000 0.328 231 S C -0.434 174.273 174.600 0.178 0.000 1.135 231 S CA 0.573 58.821 58.200 0.079 0.000 0.942 231 S CB -0.992 62.269 63.200 0.102 0.000 0.930 231 S HN 0.820 nan 8.310 nan 0.000 0.512 232 A N 2.464 125.360 122.820 0.126 0.000 2.454 232 A HA 0.553 4.872 4.320 -0.001 0.000 0.260 232 A C 0.284 177.961 177.584 0.154 0.000 1.106 232 A CA 0.578 52.685 52.037 0.117 0.000 0.780 232 A CB 0.128 19.159 19.000 0.051 0.000 1.044 232 A HN 0.930 nan 8.150 nan 0.000 0.498 233 H N -0.705 118.324 119.070 -0.068 0.000 2.960 233 H HA 0.696 5.251 4.556 -0.001 0.000 0.323 233 H C -1.969 173.232 175.328 -0.211 0.000 1.326 233 H CA -1.364 54.611 56.048 -0.122 0.000 1.124 233 H CB 0.994 30.691 29.762 -0.108 0.000 1.853 233 H HN 0.409 nan 8.280 nan 0.000 0.536 234 V N 2.206 121.931 119.914 -0.315 0.000 2.409 234 V HA 0.264 4.384 4.120 -0.001 0.000 0.290 234 V C 0.455 176.301 176.094 -0.413 0.000 1.017 234 V CA -0.614 61.340 62.300 -0.577 0.000 0.841 234 V CB 1.108 32.196 31.823 -1.225 0.000 1.003 234 V HN 0.562 nan 8.190 nan 0.000 0.426 235 I N 5.447 125.829 120.570 -0.314 0.000 2.556 235 I HA 0.325 4.495 4.170 -0.001 0.000 0.284 235 I C 0.190 176.176 176.117 -0.218 0.000 1.114 235 I CA 0.201 61.386 61.300 -0.191 0.000 1.418 235 I CB 1.082 39.009 38.000 -0.122 0.000 1.394 235 I HN 0.817 nan 8.210 nan 0.000 0.552 236 Q N 5.903 125.608 119.800 -0.158 0.000 2.347 236 Q HA 0.708 5.047 4.340 -0.001 0.000 0.271 236 Q C -1.024 174.930 176.000 -0.077 0.000 1.064 236 Q CA -1.132 54.599 55.803 -0.121 0.000 0.800 236 Q CB 2.218 30.928 28.738 -0.048 0.000 1.304 236 Q HN 0.338 nan 8.270 nan 0.000 0.438 237 K N 2.189 122.547 120.400 -0.070 0.000 2.541 237 K HA 0.569 4.888 4.320 -0.001 0.000 0.250 237 K C -2.037 174.541 176.600 -0.038 0.000 0.950 237 K CA -0.647 55.612 56.287 -0.047 0.000 0.805 237 K CB 1.450 33.926 32.500 -0.039 0.000 1.166 237 K HN 0.693 nan 8.250 nan 0.000 0.430 238 L N 4.144 125.354 121.223 -0.020 0.000 2.334 238 L HA 0.546 4.885 4.340 -0.001 0.000 0.275 238 L C -0.415 176.470 176.870 0.026 0.000 1.036 238 L CA -0.245 54.592 54.840 -0.005 0.000 0.807 238 L CB 1.156 43.210 42.059 -0.008 0.000 1.231 238 L HN 0.931 nan 8.230 nan 0.000 0.438 239 N N 0.927 119.665 118.700 0.062 0.000 2.354 239 N HA 0.004 4.744 4.740 -0.001 0.000 0.246 239 N C 0.786 176.331 175.510 0.057 0.000 1.285 239 N CA 0.347 53.440 53.050 0.071 0.000 0.925 239 N CB 0.104 38.651 38.487 0.100 0.000 1.174 239 N HN 0.612 nan 8.380 nan 0.000 0.478 240 S N -1.293 114.439 115.700 0.053 0.000 2.423 240 S HA -0.070 4.400 4.470 -0.001 0.000 0.231 240 S C 1.727 176.369 174.600 0.071 0.000 1.014 240 S CA 0.547 58.781 58.200 0.055 0.000 0.965 240 S CB -0.759 62.470 63.200 0.049 0.000 0.785 240 S HN 0.777 nan 8.310 nan 0.000 0.495 241 A N 1.586 124.451 122.820 0.074 0.000 2.067 241 A HA 0.356 4.675 4.320 -0.001 0.000 0.219 241 A C 1.457 179.105 177.584 0.106 0.000 1.158 241 A CA 0.991 53.079 52.037 0.085 0.000 0.661 241 A CB -0.795 18.250 19.000 0.074 0.000 0.801 241 A HN 0.845 nan 8.150 nan 0.000 0.452 242 L N -1.604 119.678 121.223 0.099 0.000 4.351 242 L HA -0.227 4.112 4.340 -0.001 0.000 0.410 242 L C 0.386 177.326 176.870 0.117 0.000 1.150 242 L CA 0.661 55.563 54.840 0.104 0.000 0.961 242 L CB -2.069 40.076 42.059 0.142 0.000 2.130 242 L HN 0.697 nan 8.230 nan 0.000 0.787 243 D N -1.506 118.965 120.400 0.119 0.000 2.431 243 D HA 0.172 4.812 4.640 -0.001 0.000 0.213 243 D C 0.375 176.777 176.300 0.170 0.000 1.130 243 D CA 0.220 54.296 54.000 0.127 0.000 0.834 243 D CB 0.177 41.041 40.800 0.108 0.000 0.985 243 D HN 0.604 nan 8.370 nan 0.000 0.504 244 H N -0.268 118.827 119.070 0.041 0.000 3.029 244 H HA 0.657 5.212 4.556 -0.001 0.000 0.358 244 H C -1.799 173.541 175.328 0.021 0.000 1.129 244 H CA -0.472 55.593 56.048 0.027 0.000 1.230 244 H CB 1.790 31.564 29.762 0.020 0.000 1.827 244 H HN 0.086 nan 8.280 nan 0.000 0.530 245 A N 3.726 126.237 122.820 -0.516 0.000 2.413 245 A HA 0.539 4.859 4.320 -0.001 0.000 0.307 245 A C -1.211 176.075 177.584 -0.496 0.000 1.087 245 A CA -0.806 51.022 52.037 -0.349 0.000 0.750 245 A CB 1.439 20.341 19.000 -0.164 0.000 1.296 245 A HN 0.757 nan 8.150 nan 0.000 0.423 246 D N 1.328 121.584 120.400 -0.239 0.000 2.375 246 D HA 0.504 5.143 4.640 -0.001 0.000 0.247 246 D C -1.055 175.159 176.300 -0.144 0.000 1.061 246 D CA 0.068 53.971 54.000 -0.161 0.000 0.834 246 D CB 1.748 42.516 40.800 -0.053 0.000 1.247 246 D HN 0.409 nan 8.370 nan 0.000 0.489 247 L N 1.826 122.955 121.223 -0.157 0.000 2.305 247 L HA 0.362 4.702 4.340 -0.001 0.000 0.284 247 L C 0.106 176.866 176.870 -0.184 0.000 1.013 247 L CA -0.533 54.180 54.840 -0.211 0.000 0.819 247 L CB 1.725 43.634 42.059 -0.250 0.000 1.227 247 L HN 0.114 nan 8.230 nan 0.000 0.417 248 T N 2.657 117.091 114.554 -0.199 0.000 2.770 248 T HA 0.378 4.727 4.350 -0.001 0.000 0.297 248 T C 0.068 174.628 174.700 -0.233 0.000 0.997 248 T CA -0.387 61.619 62.100 -0.157 0.000 0.949 248 T CB 1.553 70.354 68.868 -0.112 0.000 0.941 248 T HN 0.159 nan 8.240 nan 0.000 0.457 249 V N 4.979 124.780 119.914 -0.189 0.000 2.498 249 V HA 0.403 4.522 4.120 -0.001 0.000 0.279 249 V C 0.252 176.315 176.094 -0.052 0.000 1.048 249 V CA -0.421 61.729 62.300 -0.250 0.000 0.967 249 V CB 0.957 32.508 31.823 -0.453 0.000 0.988 249 V HN 0.725 nan 8.190 nan 0.000 0.473 250 K N 3.094 123.346 120.400 -0.248 0.000 2.371 250 K HA 0.887 5.207 4.320 -0.001 0.000 0.251 250 K C -0.883 175.689 176.600 -0.046 0.000 0.934 250 K CA -0.582 55.614 56.287 -0.151 0.000 0.798 250 K CB 2.528 34.824 32.500 -0.341 0.000 1.204 250 K HN 0.804 nan 8.250 nan 0.000 0.427 251 A N 2.119 124.999 122.820 0.099 0.000 2.547 251 A HA 0.440 4.759 4.320 -0.001 0.000 0.297 251 A C -1.796 175.846 177.584 0.098 0.000 1.056 251 A CA -0.921 51.192 52.037 0.127 0.000 0.688 251 A CB 1.179 20.280 19.000 0.168 0.000 1.282 251 A HN 0.625 nan 8.150 nan 0.000 0.400 252 D N 1.387 121.842 120.400 0.091 0.000 2.225 252 D HA 0.484 5.124 4.640 -0.001 0.000 0.248 252 D C 0.057 176.378 176.300 0.036 0.000 1.096 252 D CA 0.147 54.182 54.000 0.058 0.000 0.863 252 D CB 1.769 42.606 40.800 0.061 0.000 1.156 252 D HN 0.656 nan 8.370 nan 0.000 0.450 253 V N 0.305 120.230 119.914 0.019 0.000 2.555 253 V HA 0.658 4.777 4.120 -0.001 0.000 0.302 253 V C -0.218 175.879 176.094 0.005 0.000 1.038 253 V CA -1.044 61.261 62.300 0.010 0.000 0.887 253 V CB 1.962 33.790 31.823 0.009 0.000 0.991 253 V HN 0.450 nan 8.190 nan 0.000 0.434 254 R N 3.196 123.697 120.500 0.002 0.000 2.476 254 R HA 0.451 4.790 4.340 -0.001 0.000 0.305 254 R C -0.844 175.473 176.300 0.027 0.000 0.965 254 R CA -0.512 55.594 56.100 0.011 0.000 0.867 254 R CB 1.368 31.671 30.300 0.005 0.000 1.176 254 R HN 0.899 nan 8.270 nan 0.000 0.447 255 N N 3.159 121.878 118.700 0.031 0.000 2.439 255 N HA 0.056 4.796 4.740 -0.001 0.000 0.243 255 N C -0.712 174.833 175.510 0.057 0.000 1.088 255 N CA -0.123 52.951 53.050 0.041 0.000 0.940 255 N CB 1.147 39.651 38.487 0.027 0.000 1.180 255 N HN 0.559 nan 8.380 nan 0.000 0.505 256 D N 0.157 120.610 120.400 0.088 0.000 2.349 256 D HA -0.019 4.620 4.640 -0.001 0.000 0.214 256 D C 0.488 176.833 176.300 0.075 0.000 1.063 256 D CA 0.221 54.285 54.000 0.106 0.000 0.847 256 D CB 0.187 41.108 40.800 0.201 0.000 0.933 256 D HN 0.595 nan 8.370 nan 0.000 0.513 257 S N -0.253 115.485 115.700 0.062 0.000 2.624 257 S HA 0.410 4.880 4.470 -0.001 0.000 0.263 257 S C 1.408 176.027 174.600 0.031 0.000 1.287 257 S CA -0.111 58.115 58.200 0.044 0.000 0.990 257 S CB 1.938 65.163 63.200 0.041 0.000 0.950 257 S HN 0.009 nan 8.310 nan 0.000 0.561 258 A N 1.344 124.179 122.820 0.024 0.000 2.119 258 A HA 0.180 4.499 4.320 -0.001 0.000 0.217 258 A C 0.574 178.168 177.584 0.016 0.000 1.153 258 A CA 0.378 52.425 52.037 0.018 0.000 0.692 258 A CB -0.988 18.021 19.000 0.014 0.000 0.799 258 A HN 0.879 nan 8.150 nan 0.000 0.458 259 N N -1.570 117.141 118.700 0.018 0.000 2.328 259 N HA 0.581 5.321 4.740 -0.001 0.000 0.299 259 N C -0.450 175.069 175.510 0.015 0.000 1.179 259 N CA -0.234 52.825 53.050 0.015 0.000 0.793 259 N CB 1.425 39.920 38.487 0.014 0.000 1.366 259 N HN 0.195 nan 8.380 nan 0.000 0.493 260 A N 0.533 123.359 122.820 0.011 0.000 2.498 260 A HA 0.446 4.766 4.320 -0.001 0.000 0.239 260 A C 0.136 177.726 177.584 0.010 0.000 1.068 260 A CA -0.134 51.909 52.037 0.009 0.000 0.766 260 A CB -0.278 18.726 19.000 0.006 0.000 1.003 260 A HN 0.533 nan 8.150 nan 0.000 0.497 261 V N -0.030 119.890 119.914 0.010 0.000 3.130 261 V HA 0.631 4.750 4.120 -0.001 0.000 0.310 261 V C -0.644 175.453 176.094 0.005 0.000 1.158 261 V CA -0.961 61.345 62.300 0.010 0.000 1.029 261 V CB 1.704 33.537 31.823 0.016 0.000 1.057 261 V HN 0.874 nan 8.190 nan 0.000 0.436 262 Q N 0.874 120.677 119.800 0.005 0.000 2.256 262 Q HA 0.600 4.940 4.340 -0.001 0.000 0.257 262 Q C -0.826 175.177 176.000 0.005 0.000 0.936 262 Q CA -0.286 55.517 55.803 0.001 0.000 0.903 262 Q CB 2.024 30.762 28.738 0.000 0.000 1.263 262 Q HN 0.963 nan 8.270 nan 0.000 0.440 263 T N 1.153 115.708 114.554 0.001 0.000 2.876 263 T HA 0.411 4.760 4.350 -0.001 0.000 0.289 263 T C -0.822 173.880 174.700 0.003 0.000 1.014 263 T CA -0.318 61.786 62.100 0.007 0.000 0.986 263 T CB 1.350 70.225 68.868 0.011 0.000 1.021 263 T HN 0.402 nan 8.240 nan 0.000 0.458 264 T N 3.768 118.331 114.554 0.015 0.000 2.767 264 T HA 0.521 4.870 4.350 -0.001 0.000 0.284 264 T C -0.418 174.311 174.700 0.049 0.000 0.973 264 T CA -0.430 61.684 62.100 0.022 0.000 0.996 264 T CB 0.935 69.820 68.868 0.029 0.000 0.927 264 T HN 0.467 nan 8.240 nan 0.000 0.456 265 V N 3.154 123.108 119.914 0.068 0.000 2.328 265 V HA 0.802 4.921 4.120 -0.001 0.000 0.278 265 V C 0.158 176.416 176.094 0.274 0.000 1.021 265 V CA -0.616 61.780 62.300 0.161 0.000 0.838 265 V CB 0.579 32.520 31.823 0.197 0.000 0.999 265 V HN 1.082 nan 8.190 nan 0.000 0.447 266 A N 3.577 126.508 122.820 0.185 0.000 2.572 266 A HA 1.059 5.379 4.320 -0.001 0.000 0.295 266 A C 0.034 177.654 177.584 0.060 0.000 1.072 266 A CA 0.054 52.178 52.037 0.145 0.000 0.691 266 A CB 2.158 21.220 19.000 0.103 0.000 1.291 266 A HN 1.524 nan 8.150 nan 0.000 0.404 267 G N -0.602 108.206 108.800 0.013 0.000 2.455 267 G HA2 0.623 4.583 3.960 -0.001 0.000 0.223 267 G HA3 0.623 4.583 3.960 -0.001 0.000 0.223 267 G C -0.505 174.368 174.900 -0.046 0.000 1.226 267 G CA 0.671 45.761 45.100 -0.016 0.000 0.948 267 G HN 2.058 nan 8.290 nan 0.000 0.478 268 T N -2.563 111.960 114.554 -0.051 0.000 2.893 268 T HA 0.712 5.062 4.350 -0.001 0.000 0.293 268 T C -1.340 173.333 174.700 -0.046 0.000 1.027 268 T CA -0.535 61.541 62.100 -0.039 0.000 0.988 268 T CB 1.968 70.840 68.868 0.006 0.000 1.043 268 T HN 1.711 nan 8.240 nan 0.000 0.461 269 V N 2.820 122.705 119.914 -0.048 0.000 2.444 269 V HA 0.641 4.760 4.120 -0.001 0.000 0.294 269 V C 0.642 176.776 176.094 0.067 0.000 1.022 269 V CA 0.271 62.575 62.300 0.008 0.000 0.850 269 V CB 0.398 32.143 31.823 -0.131 0.000 0.992 269 V HN 2.074 nan 8.190 nan 0.000 0.426 270 A N 4.838 127.761 122.820 0.171 0.000 2.783 270 A HA 0.001 4.320 4.320 -0.001 0.000 0.292 270 A C 1.815 179.472 177.584 0.121 0.000 1.495 270 A CA 1.593 53.713 52.037 0.138 0.000 0.787 270 A CB -1.790 17.074 19.000 -0.226 0.000 1.017 270 A HN 2.872 nan 8.150 nan 0.000 0.516 271 G N -2.333 106.530 108.800 0.106 0.000 2.179 271 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.260 271 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.260 271 G C -0.005 174.919 174.900 0.040 0.000 0.977 271 G CA 1.059 46.205 45.100 0.077 0.000 0.641 271 G HN 1.230 nan 8.290 nan 0.000 0.533 272 K N 1.286 121.697 120.400 0.018 0.000 2.270 272 K HA 0.566 4.886 4.320 -0.001 0.000 0.255 272 K C -2.575 174.016 176.600 -0.014 0.000 0.936 272 K CA -2.080 54.207 56.287 0.001 0.000 0.809 272 K CB 2.824 35.315 32.500 -0.014 0.000 1.131 272 K HN 0.044 nan 8.250 nan 0.000 0.427 273 P HA 0.284 nan 4.420 nan 0.000 0.284 273 P C -0.810 176.485 177.300 -0.008 0.000 1.253 273 P CA -0.391 62.707 63.100 -0.003 0.000 0.800 273 P CB 0.620 32.329 31.700 0.015 0.000 0.961 274 I N -2.046 118.514 120.570 -0.017 0.000 2.894 274 I HA 0.787 4.957 4.170 -0.001 0.000 0.302 274 I C -1.003 175.209 176.117 0.158 0.000 1.188 274 I CA -0.956 60.357 61.300 0.022 0.000 1.014 274 I CB 2.514 40.379 38.000 -0.225 0.000 1.242 274 I HN 0.250 nan 8.210 nan 0.000 0.430 275 S N 2.593 118.501 115.700 0.347 0.000 2.563 275 S HA 0.499 4.968 4.470 -0.001 0.000 0.279 275 S C -1.685 173.029 174.600 0.190 0.000 1.155 275 S CA -0.512 57.871 58.200 0.304 0.000 0.928 275 S CB 1.581 64.862 63.200 0.135 0.000 1.107 275 S HN 0.689 nan 8.310 nan 0.000 0.462 276 Q N 2.086 121.905 119.800 0.032 0.000 2.359 276 Q HA 0.499 4.838 4.340 -0.001 0.000 0.274 276 Q C -1.228 174.705 176.000 -0.113 0.000 1.074 276 Q CA -0.648 55.039 55.803 -0.194 0.000 0.810 276 Q CB 2.271 30.660 28.738 -0.583 0.000 1.342 276 Q HN 0.674 nan 8.270 nan 0.000 0.427 277 T N 1.313 115.813 114.554 -0.091 0.000 2.792 277 T HA 0.628 4.978 4.350 -0.001 0.000 0.280 277 T C -0.071 174.586 174.700 -0.071 0.000 0.990 277 T CA -0.572 61.493 62.100 -0.058 0.000 0.960 277 T CB 1.142 69.993 68.868 -0.029 0.000 0.939 277 T HN 0.439 nan 8.240 nan 0.000 0.439 278 V N 0.482 120.360 119.914 -0.060 0.000 3.040 278 V HA 0.839 4.959 4.120 -0.001 0.000 0.312 278 V C -0.185 175.890 176.094 -0.032 0.000 1.115 278 V CA -0.930 61.337 62.300 -0.055 0.000 0.998 278 V CB 2.154 33.936 31.823 -0.068 0.000 1.042 278 V HN 0.737 nan 8.190 nan 0.000 0.433 279 S N 2.757 118.442 115.700 -0.026 0.000 2.586 279 S HA 0.801 5.271 4.470 -0.001 0.000 0.274 279 S C -0.490 174.102 174.600 -0.013 0.000 1.281 279 S CA -0.477 57.714 58.200 -0.016 0.000 1.035 279 S CB 0.751 63.943 63.200 -0.014 0.000 0.962 279 S HN 0.663 nan 8.310 nan 0.000 0.512 280 L N 2.258 123.478 121.223 -0.006 0.000 2.406 280 L HA 0.549 4.888 4.340 -0.001 0.000 0.272 280 L C 0.302 177.173 176.870 0.002 0.000 0.980 280 L CA -0.810 54.029 54.840 -0.002 0.000 0.831 280 L CB 1.575 43.636 42.059 0.002 0.000 1.253 280 L HN 0.751 nan 8.230 nan 0.000 0.406 281 A N 2.485 125.306 122.820 0.001 0.000 2.475 281 A HA 0.553 4.872 4.320 -0.001 0.000 0.239 281 A C 0.657 178.246 177.584 0.009 0.000 1.087 281 A CA 0.282 52.321 52.037 0.003 0.000 0.779 281 A CB 0.285 19.286 19.000 0.001 0.000 1.036 281 A HN 0.834 nan 8.150 nan 0.000 0.506 282 A N 0.866 123.692 122.820 0.010 0.000 2.520 282 A HA 0.451 4.771 4.320 -0.001 0.000 0.245 282 A C 1.053 178.646 177.584 0.016 0.000 1.072 282 A CA 0.467 52.513 52.037 0.015 0.000 0.761 282 A CB -0.103 18.905 19.000 0.014 0.000 1.004 282 A HN 1.056 nan 8.150 nan 0.000 0.499 283 K N -0.418 119.996 120.400 0.023 0.000 3.500 283 K HA -0.175 4.144 4.320 -0.001 0.000 0.313 283 K C 0.126 176.737 176.600 0.018 0.000 1.338 283 K CA 1.650 57.952 56.287 0.025 0.000 0.963 283 K CB -1.498 31.013 32.500 0.019 0.000 1.267 283 K HN 1.019 nan 8.250 nan 0.000 0.448 284 E N 1.202 121.410 120.200 0.014 0.000 2.313 284 E HA 0.225 4.575 4.350 -0.001 0.000 0.276 284 E C -0.236 176.368 176.600 0.008 0.000 1.031 284 E CA -0.443 55.962 56.400 0.007 0.000 0.857 284 E CB 0.807 30.508 29.700 0.002 0.000 1.040 284 E HN 0.170 nan 8.360 nan 0.000 0.408 285 R N 3.849 124.350 120.500 0.002 0.000 2.393 285 R HA 0.354 4.693 4.340 -0.001 0.000 0.310 285 R C -0.947 175.351 176.300 -0.004 0.000 0.968 285 R CA -0.574 55.526 56.100 0.001 0.000 0.867 285 R CB 0.940 31.240 30.300 -0.001 0.000 1.124 285 R HN 0.448 nan 8.270 nan 0.000 0.450 286 K N 1.571 121.969 120.400 -0.003 0.000 2.375 286 K HA 0.319 4.638 4.320 -0.001 0.000 0.249 286 K C -1.155 175.446 176.600 0.000 0.000 0.942 286 K CA -0.790 55.492 56.287 -0.008 0.000 0.806 286 K CB 2.567 35.055 32.500 -0.020 0.000 1.227 286 K HN 0.477 nan 8.250 nan 0.000 0.430 287 T N 1.742 116.298 114.554 0.003 0.000 2.743 287 T HA 0.219 4.568 4.350 -0.001 0.000 0.293 287 T C -0.305 174.382 174.700 -0.021 0.000 0.945 287 T CA -0.555 61.555 62.100 0.017 0.000 1.030 287 T CB 0.736 69.629 68.868 0.040 0.000 0.912 287 T HN 0.131 nan 8.240 nan 0.000 0.483 288 V N 4.588 124.480 119.914 -0.037 0.000 2.432 288 V HA 0.318 4.437 4.120 -0.001 0.000 0.275 288 V C 0.611 176.636 176.094 -0.115 0.000 1.043 288 V CA -0.518 61.702 62.300 -0.133 0.000 0.925 288 V CB 1.318 33.007 31.823 -0.223 0.000 0.985 288 V HN 0.913 nan 8.190 nan 0.000 0.466 289 T N 6.150 120.615 114.554 -0.149 0.000 2.758 289 T HA 0.554 4.904 4.350 -0.001 0.000 0.285 289 T C -0.390 174.224 174.700 -0.143 0.000 0.981 289 T CA -0.049 62.004 62.100 -0.079 0.000 0.965 289 T CB 0.339 69.179 68.868 -0.047 0.000 0.927 289 T HN 0.288 nan 8.240 nan 0.000 0.448 290 F N 3.839 123.740 119.950 -0.082 0.000 2.375 290 F HA 0.384 4.910 4.527 -0.001 0.000 0.333 290 F C -1.582 174.180 175.800 -0.064 0.000 1.104 290 F CA -2.274 55.684 58.000 -0.069 0.000 1.149 290 F CB 0.391 39.343 39.000 -0.080 0.000 1.190 290 F HN 0.352 nan 8.300 nan 0.000 0.533 291 P HA -0.034 nan 4.420 nan 0.000 0.266 291 P C -0.524 176.811 177.300 0.058 0.000 1.193 291 P CA -0.271 62.865 63.100 0.061 0.000 0.770 291 P CB 0.441 32.171 31.700 0.051 0.000 0.836 292 L N 3.521 124.758 121.223 0.023 0.000 2.514 292 L HA 0.043 4.382 4.340 -0.001 0.000 0.280 292 L C -0.449 176.420 176.870 -0.002 0.000 1.223 292 L CA 0.667 55.507 54.840 -0.001 0.000 0.864 292 L CB 0.305 42.366 42.059 0.002 0.000 1.118 292 L HN 0.071 nan 8.230 nan 0.000 0.494 293 V N 4.868 124.762 119.914 -0.034 0.000 2.444 293 V HA 0.578 4.698 4.120 -0.001 0.000 0.294 293 V C 0.553 176.615 176.094 -0.053 0.000 1.022 293 V CA -0.349 61.927 62.300 -0.039 0.000 0.850 293 V CB 1.334 33.115 31.823 -0.071 0.000 0.992 293 V HN 0.940 nan 8.190 nan 0.000 0.426 294 G N 3.745 112.542 108.800 -0.005 0.000 2.395 294 G HA2 0.563 4.522 3.960 -0.001 0.000 0.283 294 G HA3 0.563 4.522 3.960 -0.001 0.000 0.283 294 G C -1.180 173.677 174.900 -0.071 0.000 1.178 294 G CA -0.289 44.810 45.100 -0.001 0.000 0.837 294 G HN 0.589 nan 8.290 nan 0.000 0.518 295 L N 1.824 122.898 121.223 -0.249 0.000 2.406 295 L HA 0.429 4.768 4.340 -0.001 0.000 0.270 295 L C -1.031 175.774 176.870 -0.109 0.000 0.982 295 L CA -0.781 53.961 54.840 -0.163 0.000 0.843 295 L CB 1.730 43.658 42.059 -0.218 0.000 1.225 295 L HN 0.372 nan 8.230 nan 0.000 0.412 296 D N 4.861 125.302 120.400 0.069 0.000 2.313 296 D HA 0.321 4.960 4.640 -0.001 0.000 0.247 296 D C 0.180 176.535 176.300 0.092 0.000 1.094 296 D CA -0.131 53.957 54.000 0.146 0.000 0.925 296 D CB 0.862 41.748 40.800 0.143 0.000 1.188 296 D HN 0.357 nan 8.370 nan 0.000 0.430 297 R N -0.471 120.091 120.500 0.104 0.000 3.225 297 R HA -0.122 4.217 4.340 -0.001 0.000 0.245 297 R C -2.233 174.127 176.300 0.101 0.000 0.928 297 R CA 0.112 56.267 56.100 0.092 0.000 0.632 297 R CB -2.686 27.658 30.300 0.073 0.000 1.038 297 R HN 0.430 nan 8.270 nan 0.000 0.461 298 P HA 0.015 nan 4.420 nan 0.000 0.269 298 P C 0.094 177.505 177.300 0.185 0.000 1.215 298 P CA -0.264 62.940 63.100 0.172 0.000 0.780 298 P CB 0.591 32.368 31.700 0.128 0.000 0.898 299 N N 2.199 121.019 118.700 0.200 0.000 2.671 299 N HA 0.059 4.799 4.740 -0.001 0.000 0.274 299 N C -0.471 175.134 175.510 0.158 0.000 1.188 299 N CA 0.009 53.070 53.050 0.018 0.000 1.065 299 N CB -0.654 37.560 38.487 -0.454 0.000 1.415 299 N HN 0.061 nan 8.380 nan 0.000 0.511 300 V N 3.272 123.299 119.914 0.188 0.000 2.617 300 V HA -0.120 3.999 4.120 -0.001 0.000 0.304 300 V C 0.614 176.770 176.094 0.103 0.000 1.040 300 V CA -0.286 62.085 62.300 0.119 0.000 1.149 300 V CB 0.074 31.905 31.823 0.013 0.000 0.914 300 V HN 0.539 nan 8.190 nan 0.000 0.487 301 W N 6.073 127.301 121.300 -0.120 0.000 2.304 301 W HA 0.456 5.115 4.660 -0.001 0.000 0.313 301 W C -0.693 175.657 176.519 -0.281 0.000 1.323 301 W CA -0.498 56.797 57.345 -0.082 0.000 1.223 301 W CB 0.508 29.941 29.460 -0.044 0.000 1.237 301 W HN 0.540 nan 8.180 nan 0.000 0.535 302 W N 7.594 128.582 121.300 -0.519 0.000 2.781 302 W HA 0.408 5.067 4.660 -0.001 0.000 0.345 302 W C -1.811 174.054 176.519 -1.090 0.000 1.085 302 W CA -2.316 54.724 57.345 -0.507 0.000 1.198 302 W CB 0.722 30.011 29.460 -0.285 0.000 1.423 302 W HN 0.181 nan 8.180 nan 0.000 0.532 303 P HA 0.074 nan 4.420 nan 0.000 0.268 303 P C -0.394 176.790 177.300 -0.194 0.000 1.208 303 P CA -0.060 62.885 63.100 -0.259 0.000 0.777 303 P CB 0.357 32.084 31.700 0.046 0.000 0.875 304 A N 2.258 124.981 122.820 -0.161 0.000 2.567 304 A HA 0.364 4.683 4.320 -0.001 0.000 0.240 304 A C 1.598 179.128 177.584 -0.090 0.000 1.053 304 A CA 0.998 52.962 52.037 -0.121 0.000 0.755 304 A CB -1.569 17.385 19.000 -0.077 0.000 0.978 304 A HN 0.881 nan 8.150 nan 0.000 0.507 305 G N 1.357 110.095 108.800 -0.103 0.000 2.241 305 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.244 305 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.244 305 G C 0.710 175.528 174.900 -0.136 0.000 0.998 305 G CA 0.799 45.840 45.100 -0.100 0.000 0.621 305 G HN 0.737 nan 8.290 nan 0.000 0.519 306 M N 0.533 120.042 119.600 -0.151 0.000 2.371 306 M HA 0.480 4.960 4.480 -0.001 0.000 0.246 306 M C 1.208 177.150 176.300 -0.597 0.000 1.103 306 M CA 1.142 56.272 55.300 -0.283 0.000 1.010 306 M CB 0.936 33.495 32.600 -0.069 0.000 1.457 306 M HN 1.019 nan 8.290 nan 0.000 0.486 307 G N -0.536 108.042 108.800 -0.369 0.000 2.356 307 G HA2 0.291 4.251 3.960 -0.001 0.000 0.266 307 G HA3 0.291 4.251 3.960 -0.001 0.000 0.266 307 G C -0.969 173.855 174.900 -0.127 0.000 1.312 307 G CA -0.636 44.233 45.100 -0.384 0.000 0.922 307 G HN 0.243 nan 8.290 nan 0.000 0.480 308 G N -1.482 107.315 108.800 -0.004 0.000 2.547 308 G HA2 0.505 4.464 3.960 -0.001 0.000 0.291 308 G HA3 0.505 4.464 3.960 -0.001 0.000 0.291 308 G C -0.143 174.692 174.900 -0.109 0.000 1.211 308 G CA -0.077 45.009 45.100 -0.023 0.000 0.950 308 G HN 0.520 nan 8.290 nan 0.000 0.504 309 Q N -0.848 118.876 119.800 -0.127 0.000 2.182 309 Q HA 0.193 4.532 4.340 -0.001 0.000 0.305 309 Q C -0.267 175.829 176.000 0.160 0.000 0.880 309 Q CA -0.417 55.245 55.803 -0.234 0.000 1.131 309 Q CB 0.317 28.971 28.738 -0.139 0.000 1.237 309 Q HN 0.718 nan 8.270 nan 0.000 0.447 310 H N 0.281 119.389 119.070 0.064 0.000 2.815 310 H HA 0.354 4.910 4.556 -0.001 0.000 0.350 310 H C -0.475 174.872 175.328 0.031 0.000 1.080 310 H CA 0.474 56.513 56.048 -0.015 0.000 1.433 310 H CB 0.523 30.189 29.762 -0.160 0.000 1.432 310 H HN 0.021 nan 8.280 nan 0.000 0.592 311 R N 3.462 123.537 120.500 -0.708 0.000 2.628 311 R HA 0.268 4.608 4.340 -0.001 0.000 0.288 311 R C -1.079 174.630 176.300 -0.985 0.000 0.980 311 R CA -0.707 55.039 56.100 -0.590 0.000 0.891 311 R CB 1.262 31.380 30.300 -0.305 0.000 1.188 311 R HN 0.541 nan 8.270 nan 0.000 0.450 312 Y N 0.472 120.304 120.300 -0.781 0.000 2.295 312 Y HA 0.167 4.716 4.550 -0.001 0.000 0.331 312 Y C 0.578 176.140 175.900 -0.563 0.000 1.311 312 Y CA 0.247 57.941 58.100 -0.677 0.000 1.430 312 Y CB 0.851 38.752 38.460 -0.933 0.000 1.339 312 Y HN 0.368 nan 8.280 nan 0.000 0.552 313 D N 1.289 121.659 120.400 -0.051 0.000 2.248 313 D HA 0.355 4.995 4.640 -0.001 0.000 0.246 313 D C -1.404 175.014 176.300 0.197 0.000 1.027 313 D CA -0.481 53.548 54.000 0.049 0.000 0.853 313 D CB 2.561 43.383 40.800 0.038 0.000 1.243 313 D HN 0.206 nan 8.370 nan 0.000 0.462 314 L N 1.863 123.201 121.223 0.191 0.000 2.356 314 L HA 0.430 4.770 4.340 -0.001 0.000 0.277 314 L C -1.359 175.542 176.870 0.052 0.000 0.996 314 L CA -0.340 54.577 54.840 0.128 0.000 0.822 314 L CB 1.661 43.782 42.059 0.104 0.000 1.256 314 L HN 0.141 nan 8.230 nan 0.000 0.413 315 D N 5.152 125.561 120.400 0.016 0.000 2.620 315 D HA 0.521 5.161 4.640 -0.001 0.000 0.252 315 D C -1.601 174.693 176.300 -0.010 0.000 1.207 315 D CA -0.043 53.964 54.000 0.013 0.000 0.884 315 D CB 1.088 41.902 40.800 0.022 0.000 1.262 315 D HN 0.555 nan 8.370 nan 0.000 0.552 316 L N 2.080 123.304 121.223 0.002 0.000 2.388 316 L HA 0.631 4.971 4.340 -0.001 0.000 0.264 316 L C -0.210 176.681 176.870 0.034 0.000 0.998 316 L CA -0.734 54.111 54.840 0.010 0.000 0.817 316 L CB 2.637 44.702 42.059 0.010 0.000 1.338 316 L HN 0.245 nan 8.230 nan 0.000 0.414 317 T N 1.249 115.831 114.554 0.047 0.000 2.886 317 T HA 0.624 4.973 4.350 -0.001 0.000 0.292 317 T C -0.550 174.187 174.700 0.061 0.000 1.012 317 T CA -0.497 61.632 62.100 0.049 0.000 0.982 317 T CB 1.907 70.801 68.868 0.043 0.000 1.018 317 T HN 0.617 nan 8.240 nan 0.000 0.451 318 A N 2.608 125.460 122.820 0.053 0.000 2.260 318 A HA 0.720 5.039 4.320 -0.001 0.000 0.308 318 A C 0.162 177.771 177.584 0.043 0.000 1.254 318 A CA -0.476 51.591 52.037 0.051 0.000 0.874 318 A CB 0.385 19.410 19.000 0.042 0.000 1.153 318 A HN 0.679 nan 8.150 nan 0.000 0.527 319 S N 0.784 116.508 115.700 0.041 0.000 2.537 319 S HA 0.668 5.137 4.470 -0.001 0.000 0.301 319 S C -0.493 174.125 174.600 0.031 0.000 1.092 319 S CA -0.484 57.738 58.200 0.036 0.000 1.048 319 S CB 1.614 64.836 63.200 0.036 0.000 1.053 319 S HN 0.604 nan 8.310 nan 0.000 0.501 320 V N 1.462 121.394 119.914 0.030 0.000 2.638 320 V HA 0.664 4.783 4.120 -0.001 0.000 0.306 320 V C 0.697 176.806 176.094 0.025 0.000 1.052 320 V CA -0.276 62.039 62.300 0.026 0.000 0.885 320 V CB 1.159 32.999 31.823 0.029 0.000 0.999 320 V HN 1.211 nan 8.190 nan 0.000 0.424 321 G N 3.359 112.172 108.800 0.021 0.000 2.323 321 G HA2 0.064 4.023 3.960 -0.001 0.000 0.292 321 G HA3 0.064 4.023 3.960 -0.001 0.000 0.292 321 G C 1.136 176.048 174.900 0.021 0.000 1.040 321 G CA 0.663 45.775 45.100 0.020 0.000 0.942 321 G HN 2.446 nan 8.290 nan 0.000 0.506 322 G N -2.285 106.528 108.800 0.022 0.000 2.179 322 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.257 322 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.257 322 G C 0.312 175.227 174.900 0.025 0.000 1.010 322 G CA 1.097 46.211 45.100 0.023 0.000 0.736 322 G HN 1.726 nan 8.290 nan 0.000 0.513 323 T N 0.941 115.512 114.554 0.027 0.000 2.886 323 T HA 0.550 4.900 4.350 -0.001 0.000 0.292 323 T C -2.782 171.938 174.700 0.033 0.000 1.012 323 T CA -0.994 61.123 62.100 0.029 0.000 0.982 323 T CB 2.874 71.759 68.868 0.029 0.000 1.018 323 T HN -0.041 nan 8.240 nan 0.000 0.451 324 P HA 0.122 nan 4.420 nan 0.000 0.264 324 P C 0.265 177.589 177.300 0.041 0.000 1.193 324 P CA 0.273 63.396 63.100 0.038 0.000 0.763 324 P CB 0.708 32.431 31.700 0.038 0.000 0.810 325 S N 1.764 117.489 115.700 0.042 0.000 2.506 325 S HA 0.085 4.554 4.470 -0.001 0.000 0.230 325 S C 0.326 174.955 174.600 0.048 0.000 1.066 325 S CA 0.512 58.740 58.200 0.047 0.000 0.940 325 S CB 0.052 63.279 63.200 0.045 0.000 0.818 325 S HN 0.499 nan 8.310 nan 0.000 0.518 326 D N -0.878 119.546 120.400 0.039 0.000 2.599 326 D HA 0.702 5.341 4.640 -0.001 0.000 0.252 326 D C -1.610 174.710 176.300 0.034 0.000 1.232 326 D CA -0.046 53.974 54.000 0.033 0.000 0.819 326 D CB 2.047 42.854 40.800 0.011 0.000 1.401 326 D HN 0.342 nan 8.370 nan 0.000 0.429 327 A N 0.231 123.070 122.820 0.032 0.000 2.549 327 A HA 0.873 5.192 4.320 -0.001 0.000 0.297 327 A C -1.625 175.979 177.584 0.033 0.000 1.061 327 A CA -0.084 51.974 52.037 0.035 0.000 0.690 327 A CB 1.708 20.730 19.000 0.038 0.000 1.287 327 A HN 0.807 nan 8.150 nan 0.000 0.402 328 A N 1.560 124.400 122.820 0.033 0.000 2.455 328 A HA 0.761 5.080 4.320 -0.001 0.000 0.300 328 A C -0.912 176.692 177.584 0.033 0.000 1.040 328 A CA -0.536 51.521 52.037 0.033 0.000 0.697 328 A CB 1.322 20.341 19.000 0.032 0.000 1.265 328 A HN 0.659 nan 8.150 nan 0.000 0.407 329 K N 1.057 121.480 120.400 0.038 0.000 2.270 329 K HA 0.750 5.070 4.320 -0.001 0.000 0.255 329 K C -0.399 176.227 176.600 0.043 0.000 0.936 329 K CA -0.276 56.034 56.287 0.040 0.000 0.809 329 K CB 1.989 34.513 32.500 0.040 0.000 1.131 329 K HN 0.976 nan 8.250 nan 0.000 0.427 330 S N 1.792 117.522 115.700 0.050 0.000 2.688 330 S HA 0.585 5.054 4.470 -0.001 0.000 0.275 330 S C -1.239 173.400 174.600 0.065 0.000 1.175 330 S CA -1.090 57.140 58.200 0.049 0.000 0.818 330 S CB 1.848 65.075 63.200 0.045 0.000 1.157 330 S HN 0.479 nan 8.310 nan 0.000 0.482 331 K N -0.113 120.309 120.400 0.036 0.000 2.444 331 K HA 0.815 5.135 4.320 -0.001 0.000 0.252 331 K C -1.520 175.127 176.600 0.078 0.000 0.993 331 K CA -0.757 55.533 56.287 0.005 0.000 0.847 331 K CB 1.808 34.254 32.500 -0.090 0.000 1.340 331 K HN 0.722 nan 8.250 nan 0.000 0.446 332 F N -2.364 117.536 119.950 -0.084 0.000 2.668 332 F HA 0.689 5.215 4.527 -0.001 0.000 0.309 332 F C -0.566 175.207 175.800 -0.045 0.000 1.117 332 F CA -1.146 56.788 58.000 -0.109 0.000 0.951 332 F CB 1.279 40.227 39.000 -0.087 0.000 1.323 332 F HN 0.501 nan 8.300 nan 0.000 0.451 333 G N 0.682 109.466 108.800 -0.026 0.000 2.420 333 G HA2 0.575 4.534 3.960 -0.001 0.000 0.331 333 G HA3 0.575 4.534 3.960 -0.001 0.000 0.331 333 G C -1.835 173.144 174.900 0.132 0.000 1.168 333 G CA -1.123 43.951 45.100 -0.043 0.000 0.936 333 G HN 0.675 nan 8.290 nan 0.000 0.479 334 V N 2.897 122.937 119.914 0.210 0.000 2.334 334 V HA 0.610 4.729 4.120 -0.001 0.000 0.267 334 V C 0.345 176.495 176.094 0.094 0.000 1.040 334 V CA -0.453 61.957 62.300 0.184 0.000 0.866 334 V CB 0.310 32.276 31.823 0.239 0.000 1.019 334 V HN 0.804 nan 8.190 nan 0.000 0.468 335 R N 3.490 124.001 120.500 0.018 0.000 2.563 335 R HA 0.326 4.666 4.340 -0.001 0.000 0.262 335 R C -2.006 174.262 176.300 -0.053 0.000 1.128 335 R CA -0.554 55.527 56.100 -0.031 0.000 0.969 335 R CB 2.326 32.642 30.300 0.027 0.000 1.251 335 R HN 0.703 nan 8.270 nan 0.000 0.442 336 D N 2.344 122.703 120.400 -0.067 0.000 2.177 336 D HA 0.446 5.086 4.640 -0.001 0.000 0.247 336 D C -1.172 175.119 176.300 -0.015 0.000 1.063 336 D CA -0.400 53.574 54.000 -0.043 0.000 0.867 336 D CB 1.882 42.662 40.800 -0.032 0.000 1.168 336 D HN 0.326 nan 8.370 nan 0.000 0.445 337 V N 2.860 122.771 119.914 -0.006 0.000 2.876 337 V HA 0.654 4.773 4.120 -0.001 0.000 0.312 337 V C -1.530 174.583 176.094 0.032 0.000 1.085 337 V CA -0.505 61.822 62.300 0.044 0.000 0.945 337 V CB 1.700 33.569 31.823 0.077 0.000 1.017 337 V HN 0.638 nan 8.190 nan 0.000 0.428 338 K N 3.880 124.316 120.400 0.060 0.000 2.508 338 K HA 0.882 5.202 4.320 -0.001 0.000 0.260 338 K C -1.324 175.246 176.600 -0.049 0.000 0.949 338 K CA -0.487 55.803 56.287 0.004 0.000 0.834 338 K CB 2.449 34.953 32.500 0.007 0.000 1.365 338 K HN 0.987 nan 8.250 nan 0.000 0.437 339 A N 1.524 124.239 122.820 -0.175 0.000 2.569 339 A HA 0.468 4.787 4.320 -0.001 0.000 0.282 339 A C -0.647 176.781 177.584 -0.260 0.000 1.165 339 A CA -0.610 51.178 52.037 -0.414 0.000 0.747 339 A CB 0.651 19.105 19.000 -0.910 0.000 1.215 339 A HN 0.649 nan 8.150 nan 0.000 0.431 340 T N -0.158 114.301 114.554 -0.158 0.000 2.930 340 T HA 0.749 5.098 4.350 -0.001 0.000 0.290 340 T C -0.210 174.455 174.700 -0.059 0.000 1.052 340 T CA -0.826 61.221 62.100 -0.088 0.000 1.017 340 T CB 0.991 69.836 68.868 -0.038 0.000 1.137 340 T HN 0.408 nan 8.240 nan 0.000 0.511 341 L N 3.236 124.439 121.223 -0.034 0.000 2.319 341 L HA 0.342 4.681 4.340 -0.001 0.000 0.280 341 L C 0.851 177.733 176.870 0.019 0.000 1.099 341 L CA -0.977 53.863 54.840 -0.000 0.000 0.828 341 L CB 0.119 42.179 42.059 0.001 0.000 1.150 341 L HN 0.796 nan 8.230 nan 0.000 0.442 342 N N 0.968 119.694 118.700 0.043 0.000 2.294 342 N HA -0.010 4.730 4.740 -0.001 0.000 0.248 342 N C 0.986 176.516 175.510 0.035 0.000 1.300 342 N CA -0.047 53.030 53.050 0.044 0.000 0.925 342 N CB 0.312 38.837 38.487 0.063 0.000 1.188 342 N HN 0.558 nan 8.380 nan 0.000 0.512 343 S N -1.683 114.032 115.700 0.026 0.000 2.469 343 S HA -0.121 4.348 4.470 -0.001 0.000 0.238 343 S C 1.147 175.759 174.600 0.020 0.000 0.998 343 S CA 0.873 59.084 58.200 0.017 0.000 0.957 343 S CB -0.687 62.518 63.200 0.009 0.000 0.764 343 S HN 0.533 nan 8.310 nan 0.000 0.514 344 S N 0.385 116.106 115.700 0.034 0.000 2.575 344 S HA 0.469 4.938 4.470 -0.001 0.000 0.215 344 S C 1.409 176.046 174.600 0.061 0.000 0.966 344 S CA 0.282 58.506 58.200 0.040 0.000 0.911 344 S CB 0.125 63.357 63.200 0.052 0.000 0.780 344 S HN 1.055 nan 8.310 nan 0.000 0.514 345 G N 1.262 110.099 108.800 0.061 0.000 2.141 345 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.242 345 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.242 345 G C 0.224 175.183 174.900 0.098 0.000 0.982 345 G CA -0.285 44.856 45.100 0.068 0.000 0.662 345 G HN 0.790 nan 8.290 nan 0.000 0.527 346 G N -0.500 108.374 108.800 0.123 0.000 2.377 346 G HA2 0.599 4.559 3.960 -0.001 0.000 0.299 346 G HA3 0.599 4.559 3.960 -0.001 0.000 0.299 346 G C 0.038 175.021 174.900 0.139 0.000 1.150 346 G CA -0.442 44.758 45.100 0.166 0.000 0.847 346 G HN 0.523 nan 8.290 nan 0.000 0.501 347 R N 0.665 121.252 120.500 0.145 0.000 2.370 347 R HA 0.302 4.642 4.340 -0.001 0.000 0.309 347 R C -0.222 176.185 176.300 0.180 0.000 1.059 347 R CA -0.179 55.946 56.100 0.042 0.000 0.981 347 R CB 0.685 30.903 30.300 -0.137 0.000 0.972 347 R HN 0.459 nan 8.270 nan 0.000 0.437 348 Q N 4.241 124.086 119.800 0.076 0.000 2.341 348 Q HA 0.265 4.604 4.340 -0.001 0.000 0.268 348 Q C -1.650 174.405 176.000 0.092 0.000 1.013 348 Q CA -0.435 55.478 55.803 0.183 0.000 0.798 348 Q CB 0.692 29.532 28.738 0.169 0.000 1.253 348 Q HN 0.631 nan 8.270 nan 0.000 0.457 349 Y N 1.220 121.645 120.300 0.207 0.000 2.307 349 Y HA 0.567 5.117 4.550 -0.001 0.000 0.324 349 Y C 0.469 176.461 175.900 0.155 0.000 1.238 349 Y CA 0.098 58.294 58.100 0.161 0.000 1.280 349 Y CB 1.675 40.244 38.460 0.181 0.000 1.248 349 Y HN 0.691 nan 8.280 nan 0.000 0.508 350 S N 0.376 116.245 115.700 0.283 0.000 2.541 350 S HA 0.784 5.253 4.470 -0.001 0.000 0.271 350 S C -1.650 173.066 174.600 0.194 0.000 1.133 350 S CA -0.941 57.391 58.200 0.221 0.000 0.876 350 S CB 1.448 64.746 63.200 0.163 0.000 1.105 350 S HN 0.326 nan 8.310 nan 0.000 0.470 351 V N 2.355 122.378 119.914 0.183 0.000 2.487 351 V HA 0.505 4.625 4.120 -0.001 0.000 0.298 351 V C 0.175 176.305 176.094 0.060 0.000 1.028 351 V CA -0.792 61.587 62.300 0.133 0.000 0.860 351 V CB 0.677 32.611 31.823 0.184 0.000 0.991 351 V HN 1.145 nan 8.190 nan 0.000 0.427 352 N N 3.659 122.333 118.700 -0.043 0.000 2.725 352 N HA -0.234 4.506 4.740 -0.001 0.000 0.249 352 N C 1.063 176.599 175.510 0.043 0.000 1.103 352 N CA 0.685 53.657 53.050 -0.130 0.000 0.707 352 N CB -0.798 37.326 38.487 -0.604 0.000 1.043 352 N HN 1.428 nan 8.380 nan 0.000 0.553 353 G N -1.262 107.587 108.800 0.083 0.000 2.176 353 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.253 353 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.253 353 G C -0.181 174.811 174.900 0.153 0.000 0.979 353 G CA 0.431 45.598 45.100 0.112 0.000 0.641 353 G HN 0.244 nan 8.290 nan 0.000 0.530 354 K N 1.520 122.039 120.400 0.198 0.000 2.263 354 K HA 0.481 4.801 4.320 -0.001 0.000 0.272 354 K C -2.545 174.183 176.600 0.213 0.000 1.033 354 K CA -2.181 54.238 56.287 0.220 0.000 0.884 354 K CB 1.976 34.652 32.500 0.293 0.000 1.107 354 K HN 0.142 nan 8.250 nan 0.000 0.460 355 P HA 0.188 nan 4.420 nan 0.000 0.271 355 P C -0.616 176.856 177.300 0.287 0.000 1.218 355 P CA -0.555 62.697 63.100 0.253 0.000 0.780 355 P CB 0.557 32.409 31.700 0.253 0.000 0.901 356 L N 2.397 123.782 121.223 0.271 0.000 2.401 356 L HA 0.407 4.746 4.340 -0.001 0.000 0.266 356 L C -0.604 176.225 176.870 -0.068 0.000 0.991 356 L CA -0.891 54.020 54.840 0.118 0.000 0.818 356 L CB 1.655 43.781 42.059 0.111 0.000 1.321 356 L HN 0.227 nan 8.230 nan 0.000 0.413 357 L N 4.487 125.343 121.223 -0.611 0.000 2.361 357 L HA 0.368 4.707 4.340 -0.001 0.000 0.278 357 L C -0.280 176.425 176.870 -0.275 0.000 1.113 357 L CA 0.210 54.660 54.840 -0.650 0.000 0.849 357 L CB 0.130 41.558 42.059 -1.051 0.000 1.155 357 L HN 0.289 nan 8.230 nan 0.000 0.452 358 I N 6.220 126.687 120.570 -0.171 0.000 2.587 358 I HA 0.105 4.274 4.170 -0.001 0.000 0.284 358 I C 0.429 176.437 176.117 -0.181 0.000 1.134 358 I CA 0.512 61.725 61.300 -0.144 0.000 1.410 358 I CB -0.109 37.839 38.000 -0.087 0.000 1.392 358 I HN 0.645 nan 8.210 nan 0.000 0.545 359 R N 4.454 124.901 120.500 -0.087 0.000 2.422 359 R HA 0.636 4.975 4.340 -0.001 0.000 0.307 359 R C 0.060 176.396 176.300 0.060 0.000 1.004 359 R CA -0.410 55.697 56.100 0.010 0.000 0.882 359 R CB 2.011 32.316 30.300 0.008 0.000 1.164 359 R HN 0.888 nan 8.270 nan 0.000 0.489 360 G N 0.391 109.264 108.800 0.121 0.000 2.815 360 G HA2 0.728 4.687 3.960 -0.001 0.000 0.305 360 G HA3 0.728 4.687 3.960 -0.001 0.000 0.305 360 G C -1.224 173.784 174.900 0.180 0.000 1.277 360 G CA -0.662 44.504 45.100 0.111 0.000 0.795 360 G HN 0.558 nan 8.290 nan 0.000 0.528 361 G N -1.800 107.087 108.800 0.145 0.000 2.690 361 G HA2 0.635 4.595 3.960 -0.001 0.000 0.293 361 G HA3 0.635 4.595 3.960 -0.001 0.000 0.293 361 G C -0.303 174.650 174.900 0.089 0.000 1.399 361 G CA 0.147 45.334 45.100 0.146 0.000 0.890 361 G HN 1.196 nan 8.290 nan 0.000 0.485 362 G N -0.475 108.312 108.800 -0.022 0.000 2.360 362 G HA2 0.431 4.390 3.960 -0.001 0.000 0.279 362 G HA3 0.431 4.390 3.960 -0.001 0.000 0.279 362 G C -0.607 174.102 174.900 -0.319 0.000 1.189 362 G CA -0.109 44.878 45.100 -0.188 0.000 0.941 362 G HN 0.643 nan 8.290 nan 0.000 0.445 363 Y N 2.495 122.674 120.300 -0.202 0.000 2.304 363 Y HA 0.581 5.130 4.550 -0.001 0.000 0.328 363 Y C 0.431 176.212 175.900 -0.197 0.000 1.123 363 Y CA -0.319 57.694 58.100 -0.146 0.000 1.218 363 Y CB 1.914 40.404 38.460 0.049 0.000 1.207 363 Y HN 0.511 nan 8.280 nan 0.000 0.495 364 T N 8.403 122.350 114.554 -1.011 0.000 2.893 364 T HA 0.535 4.884 4.350 -0.001 0.000 0.293 364 T C -2.909 171.313 174.700 -0.797 0.000 1.027 364 T CA -2.291 59.432 62.100 -0.628 0.000 0.988 364 T CB 1.440 70.128 68.868 -0.301 0.000 1.043 364 T HN 0.550 nan 8.240 nan 0.000 0.461 365 P HA 0.261 nan 4.420 nan 0.000 0.279 365 P C -0.574 176.780 177.300 0.089 0.000 1.282 365 P CA -0.329 62.802 63.100 0.052 0.000 0.788 365 P CB 0.339 32.207 31.700 0.279 0.000 1.139 366 D N -0.666 119.803 120.400 0.115 0.000 2.506 366 D HA -0.103 4.537 4.640 -0.001 0.000 0.234 366 D C 1.247 177.471 176.300 -0.128 0.000 1.143 366 D CA -0.124 53.900 54.000 0.041 0.000 0.871 366 D CB 0.196 41.080 40.800 0.140 0.000 1.190 366 D HN 0.078 nan 8.370 nan 0.000 0.459 367 L N 3.650 124.525 121.223 -0.581 0.000 2.187 367 L HA -0.065 4.274 4.340 -0.001 0.000 0.213 367 L C 0.829 177.115 176.870 -0.972 0.000 1.100 367 L CA 1.689 55.750 54.840 -1.297 0.000 0.765 367 L CB -0.386 40.697 42.059 -1.628 0.000 0.904 367 L HN 0.521 nan 8.230 nan 0.000 0.437 368 F N -1.245 118.727 119.950 0.037 0.000 2.647 368 F HA 0.353 4.879 4.527 -0.001 0.000 0.300 368 F C 1.039 176.931 175.800 0.154 0.000 1.106 368 F CA -0.744 57.318 58.000 0.103 0.000 1.313 368 F CB -0.474 38.566 39.000 0.066 0.000 1.007 368 F HN -0.191 nan 8.300 nan 0.000 0.536 369 L N -0.131 121.257 121.223 0.274 0.000 3.976 369 L HA -0.318 4.021 4.340 -0.001 0.000 0.418 369 L C 0.364 177.410 176.870 0.293 0.000 1.177 369 L CA 0.375 55.394 54.840 0.298 0.000 0.968 369 L CB -1.627 40.597 42.059 0.275 0.000 1.933 369 L HN 0.247 nan 8.230 nan 0.000 0.976 370 R N 0.831 121.492 120.500 0.268 0.000 2.421 370 R HA 0.096 4.435 4.340 -0.001 0.000 0.305 370 R C 0.090 176.557 176.300 0.278 0.000 1.039 370 R CA -0.047 56.198 56.100 0.242 0.000 1.003 370 R CB 0.575 30.979 30.300 0.173 0.000 0.959 370 R HN 0.292 nan 8.270 nan 0.000 0.427 371 W N 5.434 126.812 121.300 0.129 0.000 2.433 371 W HA 0.302 4.961 4.660 -0.001 0.000 0.315 371 W C -1.204 175.387 176.519 0.120 0.000 1.087 371 W CA -0.585 56.840 57.345 0.134 0.000 1.205 371 W CB 1.325 30.865 29.460 0.134 0.000 1.288 371 W HN 0.485 nan 8.180 nan 0.000 0.504 372 N N 4.381 122.476 118.700 -1.007 0.000 2.478 372 N HA -0.011 4.729 4.740 -0.001 0.000 0.291 372 N C 0.279 175.092 175.510 -1.161 0.000 1.090 372 N CA -0.086 52.468 53.050 -0.826 0.000 0.911 372 N CB 1.944 40.227 38.487 -0.339 0.000 1.546 372 N HN 0.709 nan 8.380 nan 0.000 0.500 373 E N 1.672 121.411 120.200 -0.769 0.000 2.051 373 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 373 E C 0.759 177.222 176.600 -0.228 0.000 0.991 373 E CA 1.728 57.907 56.400 -0.368 0.000 0.799 373 E CB 0.326 30.092 29.700 0.110 0.000 0.748 373 E HN 0.645 nan 8.360 nan 0.000 0.449 374 T N 0.704 115.156 114.554 -0.169 0.000 2.684 374 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 374 T C 1.892 176.502 174.700 -0.150 0.000 1.036 374 T CA 1.324 63.353 62.100 -0.118 0.000 1.148 374 T CB -0.390 68.428 68.868 -0.082 0.000 0.863 374 T HN 0.332 nan 8.240 nan 0.000 0.436 375 A N 1.603 124.307 122.820 -0.192 0.000 1.917 375 A HA 0.016 4.335 4.320 -0.001 0.000 0.219 375 A C 2.662 180.169 177.584 -0.128 0.000 1.182 375 A CA 2.087 54.026 52.037 -0.164 0.000 0.633 375 A CB -1.194 17.717 19.000 -0.149 0.000 0.819 375 A HN 0.535 nan 8.150 nan 0.000 0.448 376 A N -0.299 122.417 122.820 -0.173 0.000 1.902 376 A HA 0.149 4.469 4.320 -0.001 0.000 0.217 376 A C 2.526 180.094 177.584 -0.027 0.000 1.181 376 A CA 2.200 54.241 52.037 0.006 0.000 0.623 376 A CB -1.047 17.974 19.000 0.036 0.000 0.818 376 A HN 1.117 nan 8.150 nan 0.000 0.443 377 A N 0.050 122.823 122.820 -0.079 0.000 1.902 377 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 377 A C 1.760 179.281 177.584 -0.106 0.000 1.181 377 A CA 1.885 53.870 52.037 -0.087 0.000 0.623 377 A CB -0.598 18.365 19.000 -0.061 0.000 0.818 377 A HN 0.464 nan 8.150 nan 0.000 0.443 378 D N -0.085 120.227 120.400 -0.146 0.000 2.117 378 D HA -0.126 4.513 4.640 -0.001 0.000 0.197 378 D C 1.928 178.000 176.300 -0.380 0.000 0.987 378 D CA 1.431 55.280 54.000 -0.253 0.000 0.829 378 D CB -0.274 40.342 40.800 -0.307 0.000 0.961 378 D HN 0.509 nan 8.370 nan 0.000 0.460 379 K N 0.175 120.422 120.400 -0.254 0.000 2.026 379 K HA -0.037 4.282 4.320 -0.001 0.000 0.208 379 K C 2.335 178.961 176.600 0.043 0.000 1.048 379 K CA 0.607 56.810 56.287 -0.140 0.000 0.929 379 K CB -0.159 32.529 32.500 0.314 0.000 0.713 379 K HN 0.128 nan 8.250 nan 0.000 0.439 380 L N 1.089 122.308 121.223 -0.006 0.000 2.093 380 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 380 L C 2.219 179.091 176.870 0.003 0.000 1.085 380 L CA 1.240 56.052 54.840 -0.046 0.000 0.755 380 L CB -0.264 41.659 42.059 -0.227 0.000 0.904 380 L HN 0.115 nan 8.230 nan 0.000 0.435 381 K N -0.982 119.417 120.400 -0.002 0.000 2.097 381 K HA -0.190 4.130 4.320 -0.001 0.000 0.206 381 K C 2.100 178.806 176.600 0.177 0.000 1.049 381 K CA 1.279 57.600 56.287 0.055 0.000 0.933 381 K CB -0.173 32.351 32.500 0.039 0.000 0.717 381 K HN 0.129 nan 8.250 nan 0.000 0.442 382 Y N 0.822 121.091 120.300 -0.053 0.000 2.274 382 Y HA -0.178 4.371 4.550 -0.001 0.000 0.290 382 Y C 2.212 178.155 175.900 0.072 0.000 1.145 382 Y CA 0.156 58.261 58.100 0.008 0.000 1.203 382 Y CB -0.639 37.689 38.460 -0.219 0.000 0.984 382 Y HN -0.207 nan 8.280 nan 0.000 0.533 383 V N 0.079 120.129 119.914 0.227 0.000 2.282 383 V HA -0.339 3.781 4.120 -0.001 0.000 0.249 383 V C 2.359 178.462 176.094 0.016 0.000 1.057 383 V CA 1.955 64.327 62.300 0.121 0.000 1.032 383 V CB -0.854 31.030 31.823 0.103 0.000 0.645 383 V HN 0.340 nan 8.190 nan 0.000 0.447 384 L N 0.039 121.275 121.223 0.023 0.000 2.179 384 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 384 L C 2.457 179.313 176.870 -0.023 0.000 1.096 384 L CA 1.602 56.434 54.840 -0.013 0.000 0.779 384 L CB -0.827 41.230 42.059 -0.004 0.000 0.922 384 L HN 0.470 nan 8.230 nan 0.000 0.443 385 N N 1.060 119.768 118.700 0.014 0.000 2.289 385 N HA -0.161 4.578 4.740 -0.001 0.000 0.184 385 N C 1.892 177.362 175.510 -0.067 0.000 1.016 385 N CA 0.914 53.971 53.050 0.012 0.000 0.872 385 N CB 0.133 38.653 38.487 0.055 0.000 0.973 385 N HN 0.351 nan 8.380 nan 0.000 0.433 386 L N -0.138 120.985 121.223 -0.167 0.000 2.376 386 L HA 0.021 4.361 4.340 -0.001 0.000 0.219 386 L C 1.587 178.273 176.870 -0.306 0.000 1.133 386 L CA 0.862 55.489 54.840 -0.355 0.000 0.816 386 L CB -0.285 41.510 42.059 -0.441 0.000 0.933 386 L HN 0.395 nan 8.230 nan 0.000 0.449 387 G N -0.137 108.543 108.800 -0.200 0.000 2.176 387 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.253 387 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.253 387 G C 0.290 175.068 174.900 -0.204 0.000 0.979 387 G CA -0.124 44.861 45.100 -0.192 0.000 0.641 387 G HN 0.200 nan 8.290 nan 0.000 0.530 388 L N 0.441 121.541 121.223 -0.206 0.000 2.453 388 L HA 0.379 4.718 4.340 -0.001 0.000 0.261 388 L C 1.536 178.358 176.870 -0.079 0.000 1.179 388 L CA 0.099 54.842 54.840 -0.162 0.000 0.813 388 L CB 0.646 42.621 42.059 -0.140 0.000 1.110 388 L HN 0.358 nan 8.230 nan 0.000 0.466 389 N N -1.733 116.938 118.700 -0.049 0.000 2.197 389 N HA 0.053 4.793 4.740 -0.001 0.000 0.201 389 N C -0.305 175.214 175.510 0.016 0.000 1.148 389 N CA -0.150 52.890 53.050 -0.017 0.000 0.883 389 N CB 0.810 39.286 38.487 -0.018 0.000 1.012 389 N HN 0.502 nan 8.380 nan 0.000 0.507 390 T N 0.098 114.664 114.554 0.020 0.000 2.923 390 T HA 0.569 4.918 4.350 -0.001 0.000 0.311 390 T C -1.114 173.628 174.700 0.069 0.000 1.183 390 T CA -0.774 61.351 62.100 0.040 0.000 1.020 390 T CB 2.316 71.194 68.868 0.016 0.000 1.165 390 T HN 0.107 nan 8.240 nan 0.000 0.482 391 V N 0.298 120.266 119.914 0.090 0.000 2.680 391 V HA 0.787 4.906 4.120 -0.001 0.000 0.309 391 V C -0.319 175.863 176.094 0.147 0.000 1.052 391 V CA -1.238 61.144 62.300 0.136 0.000 0.908 391 V CB 1.819 33.749 31.823 0.178 0.000 1.001 391 V HN 0.894 nan 8.190 nan 0.000 0.431 392 R N 2.969 123.565 120.500 0.160 0.000 2.368 392 R HA 0.713 5.052 4.340 -0.001 0.000 0.302 392 R C -1.537 174.869 176.300 0.176 0.000 1.002 392 R CA -0.750 55.439 56.100 0.149 0.000 0.929 392 R CB 1.358 31.751 30.300 0.155 0.000 1.073 392 R HN 0.796 nan 8.270 nan 0.000 0.464 393 L N 3.990 125.301 121.223 0.147 0.000 2.301 393 L HA 0.279 4.618 4.340 -0.001 0.000 0.278 393 L C 0.008 176.954 176.870 0.127 0.000 1.022 393 L CA 0.049 54.993 54.840 0.174 0.000 0.854 393 L CB 1.446 43.606 42.059 0.168 0.000 1.226 393 L HN 0.617 nan 8.230 nan 0.000 0.429 394 E N 3.570 123.936 120.200 0.276 0.000 1.858 394 E HA 0.405 4.754 4.350 -0.001 0.000 0.267 394 E C 0.934 177.754 176.600 0.366 0.000 1.215 394 E CA 0.448 57.037 56.400 0.315 0.000 0.952 394 E CB 0.139 30.176 29.700 0.561 0.000 1.058 394 E HN 0.750 nan 8.360 nan 0.000 0.407 395 G N 4.309 113.163 108.800 0.090 0.000 2.575 395 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.267 395 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.267 395 G C -0.130 174.882 174.900 0.186 0.000 1.264 395 G CA 0.196 45.294 45.100 -0.004 0.000 0.935 395 G HN 1.000 nan 8.290 nan 0.000 0.568 396 H N -1.790 117.329 119.070 0.081 0.000 2.655 396 H HA -0.151 4.405 4.556 -0.001 0.000 0.313 396 H C 1.013 176.442 175.328 0.168 0.000 1.141 396 H CA 0.850 56.940 56.048 0.070 0.000 1.138 396 H CB -2.019 27.715 29.762 -0.048 0.000 1.446 396 H HN 0.730 nan 8.280 nan 0.000 0.415 397 I N 1.078 121.866 120.570 0.364 0.000 2.581 397 I HA -0.010 4.159 4.170 -0.001 0.000 0.285 397 I C 1.109 177.402 176.117 0.294 0.000 1.129 397 I CA 0.151 61.636 61.300 0.308 0.000 1.397 397 I CB 0.345 38.476 38.000 0.218 0.000 1.399 397 I HN 0.245 nan 8.210 nan 0.000 0.537 398 E N 7.680 127.962 120.200 0.138 0.000 2.422 398 E HA 0.163 4.513 4.350 -0.001 0.000 0.260 398 E C -2.062 174.608 176.600 0.117 0.000 1.108 398 E CA -1.377 55.027 56.400 0.007 0.000 0.943 398 E CB 0.172 29.581 29.700 -0.484 0.000 0.961 398 E HN 0.323 nan 8.360 nan 0.000 0.443 399 P HA -0.069 nan 4.420 nan 0.000 0.270 399 P C 0.256 177.573 177.300 0.028 0.000 1.221 399 P CA 0.002 63.003 63.100 -0.164 0.000 0.788 399 P CB 0.457 31.759 31.700 -0.664 0.000 0.904 400 D N 0.768 121.205 120.400 0.062 0.000 2.149 400 D HA -0.192 4.448 4.640 -0.001 0.000 0.194 400 D C 1.525 177.932 176.300 0.177 0.000 1.001 400 D CA 1.648 55.747 54.000 0.165 0.000 0.849 400 D CB -0.418 40.475 40.800 0.155 0.000 0.939 400 D HN 0.506 nan 8.370 nan 0.000 0.449 401 E N -0.179 120.099 120.200 0.129 0.000 2.160 401 E HA -0.155 4.195 4.350 -0.001 0.000 0.195 401 E C 1.793 178.559 176.600 0.278 0.000 0.991 401 E CA 0.412 56.953 56.400 0.235 0.000 0.810 401 E CB -0.425 29.495 29.700 0.367 0.000 0.742 401 E HN 0.353 nan 8.360 nan 0.000 0.466 402 F N -0.108 119.926 119.950 0.141 0.000 2.126 402 F HA -0.216 4.311 4.527 -0.001 0.000 0.299 402 F C 1.518 177.155 175.800 -0.272 0.000 1.096 402 F CA 1.416 59.400 58.000 -0.026 0.000 1.255 402 F CB -0.082 38.828 39.000 -0.150 0.000 0.997 402 F HN -0.029 nan 8.300 nan 0.000 0.479 403 F N 0.384 120.315 119.950 -0.031 0.000 2.293 403 F HA -0.105 4.422 4.527 -0.001 0.000 0.297 403 F C 2.283 177.936 175.800 -0.246 0.000 1.089 403 F CA 1.052 58.864 58.000 -0.315 0.000 1.377 403 F CB -0.764 37.829 39.000 -0.678 0.000 1.051 403 F HN -0.084 nan 8.300 nan 0.000 0.511 404 D N 0.691 121.130 120.400 0.066 0.000 2.104 404 D HA -0.172 4.467 4.640 -0.001 0.000 0.194 404 D C 2.400 178.751 176.300 0.084 0.000 0.994 404 D CA 1.467 55.576 54.000 0.182 0.000 0.830 404 D CB -0.403 40.513 40.800 0.193 0.000 0.959 404 D HN 0.249 nan 8.370 nan 0.000 0.452 405 I N 1.252 121.820 120.570 -0.002 0.000 2.179 405 I HA -0.246 3.924 4.170 -0.001 0.000 0.242 405 I C 2.569 178.623 176.117 -0.104 0.000 1.088 405 I CA 1.072 62.335 61.300 -0.061 0.000 1.357 405 I CB -0.251 37.681 38.000 -0.112 0.000 1.051 405 I HN -0.088 nan 8.210 nan 0.000 0.409 406 A N 0.660 123.336 122.820 -0.241 0.000 1.908 406 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 406 A C 1.938 179.588 177.584 0.109 0.000 1.181 406 A CA 2.159 54.092 52.037 -0.172 0.000 0.627 406 A CB -0.671 18.125 19.000 -0.340 0.000 0.818 406 A HN 0.362 nan 8.150 nan 0.000 0.445 407 D N 0.456 120.951 120.400 0.157 0.000 2.106 407 D HA -0.157 4.482 4.640 -0.001 0.000 0.191 407 D C 1.375 177.942 176.300 0.444 0.000 0.997 407 D CA 1.695 55.887 54.000 0.319 0.000 0.834 407 D CB -0.545 40.367 40.800 0.187 0.000 0.956 407 D HN 0.400 nan 8.370 nan 0.000 0.448 408 D N -0.151 120.378 120.400 0.216 0.000 2.178 408 D HA -0.061 4.578 4.640 -0.001 0.000 0.201 408 D C 2.154 178.511 176.300 0.094 0.000 0.980 408 D CA 0.403 54.489 54.000 0.144 0.000 0.842 408 D CB -0.165 40.678 40.800 0.072 0.000 0.948 408 D HN 0.249 nan 8.370 nan 0.000 0.472 409 L N -0.870 120.397 121.223 0.074 0.000 2.446 409 L HA 0.181 4.520 4.340 -0.001 0.000 0.219 409 L C 1.330 178.209 176.870 0.015 0.000 1.116 409 L CA 0.436 55.289 54.840 0.022 0.000 0.844 409 L CB -0.022 42.030 42.059 -0.011 0.000 0.970 409 L HN 0.108 nan 8.230 nan 0.000 0.457 410 G N 0.808 109.670 108.800 0.104 0.000 2.182 410 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.248 410 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.248 410 G C -0.036 174.930 174.900 0.110 0.000 1.042 410 G CA -0.030 45.079 45.100 0.016 0.000 0.775 410 G HN 0.089 nan 8.290 nan 0.000 0.501 411 V N 1.567 121.574 119.914 0.156 0.000 2.432 411 V HA 0.500 4.619 4.120 -0.001 0.000 0.275 411 V C 1.178 177.375 176.094 0.172 0.000 1.043 411 V CA -0.657 61.700 62.300 0.094 0.000 0.925 411 V CB 1.380 33.196 31.823 -0.012 0.000 0.985 411 V HN 0.370 nan 8.190 nan 0.000 0.466 412 L N 4.932 126.257 121.223 0.170 0.000 2.417 412 L HA 0.505 4.844 4.340 -0.001 0.000 0.268 412 L C 0.665 177.604 176.870 0.115 0.000 1.158 412 L CA 0.043 54.987 54.840 0.172 0.000 0.819 412 L CB 0.953 43.089 42.059 0.129 0.000 1.112 412 L HN 0.808 nan 8.230 nan 0.000 0.458 413 T N -0.096 114.544 114.554 0.144 0.000 2.876 413 T HA 0.659 5.008 4.350 -0.001 0.000 0.289 413 T C -0.389 174.414 174.700 0.171 0.000 1.014 413 T CA -0.838 61.375 62.100 0.188 0.000 0.986 413 T CB 1.705 70.779 68.868 0.344 0.000 1.021 413 T HN 0.487 nan 8.240 nan 0.000 0.458 414 M N 3.644 123.334 119.600 0.150 0.000 2.634 414 M HA 0.309 4.788 4.480 -0.001 0.000 0.211 414 M C -2.516 173.814 176.300 0.049 0.000 1.019 414 M CA -1.910 53.456 55.300 0.111 0.000 0.834 414 M CB 1.385 34.044 32.600 0.098 0.000 1.376 414 M HN 0.477 nan 8.290 nan 0.000 0.465 415 P HA 0.611 nan 4.420 nan 0.000 0.274 415 P C -0.042 176.760 177.300 -0.830 0.000 1.256 415 P CA 0.165 63.135 63.100 -0.217 0.000 0.795 415 P CB 1.654 33.317 31.700 -0.062 0.000 1.038 416 G N -0.789 107.307 108.800 -1.174 0.000 2.316 416 G HA2 0.281 4.241 3.960 -0.001 0.000 0.296 416 G HA3 0.281 4.241 3.960 -0.001 0.000 0.296 416 G C -1.938 172.371 174.900 -0.986 0.000 1.399 416 G CA -1.004 43.100 45.100 -1.660 0.000 0.833 416 G HN 0.400 nan 8.290 nan 0.000 0.565 417 W N 0.890 121.812 121.300 -0.630 0.000 2.129 417 W HA 0.496 5.156 4.660 -0.001 0.000 0.349 417 W C 1.128 177.436 176.519 -0.351 0.000 1.279 417 W CA -0.507 56.469 57.345 -0.614 0.000 1.306 417 W CB 0.756 29.887 29.460 -0.548 0.000 1.140 417 W HN 0.693 nan 8.180 nan 0.000 0.613 418 E N 0.786 120.949 120.200 -0.061 0.000 2.232 418 E HA 0.442 4.792 4.350 -0.001 0.000 0.265 418 E C -0.017 176.668 176.600 0.141 0.000 1.001 418 E CA -0.920 55.506 56.400 0.044 0.000 0.870 418 E CB 1.219 30.906 29.700 -0.021 0.000 1.175 418 E HN 0.557 nan 8.360 nan 0.000 0.407 419 C N -0.510 118.879 119.300 0.149 0.000 2.411 419 C HA 0.462 4.922 4.460 -0.001 0.000 0.358 419 C C 1.072 176.153 174.990 0.152 0.000 1.349 419 C CA 0.056 59.180 59.018 0.176 0.000 2.326 419 C CB -0.398 27.433 27.740 0.151 0.000 2.166 419 C HN 1.047 nan 8.230 nan 0.000 0.609 420 C N 1.263 120.655 119.300 0.154 0.000 4.417 420 C HA -0.048 4.412 4.460 -0.001 0.000 0.284 420 C C -0.021 175.014 174.990 0.074 0.000 1.379 420 C CA 1.391 60.471 59.018 0.103 0.000 1.918 420 C CB -3.617 24.173 27.740 0.083 0.000 1.280 420 C HN 1.217 nan 8.230 nan 0.000 0.783 421 D N -1.881 118.581 120.400 0.103 0.000 3.236 421 D HA 0.419 5.059 4.640 -0.001 0.000 0.325 421 D C 0.561 176.915 176.300 0.091 0.000 1.352 421 D CA -0.161 53.883 54.000 0.073 0.000 0.979 421 D CB -0.015 40.813 40.800 0.047 0.000 1.410 421 D HN -0.170 nan 8.370 nan 0.000 0.588 422 K N -0.375 120.029 120.400 0.007 0.000 2.074 422 K HA -0.089 4.230 4.320 -0.001 0.000 0.209 422 K C 1.748 178.380 176.600 0.054 0.000 1.048 422 K CA 1.902 58.143 56.287 -0.076 0.000 0.926 422 K CB -0.730 31.571 32.500 -0.332 0.000 0.713 422 K HN 0.548 nan 8.250 nan 0.000 0.444 423 W N 1.106 122.474 121.300 0.113 0.000 2.305 423 W HA -0.177 4.482 4.660 -0.001 0.000 0.308 423 W C 1.556 178.227 176.519 0.254 0.000 1.226 423 W CA 1.731 59.194 57.345 0.198 0.000 1.253 423 W CB -0.170 29.331 29.460 0.068 0.000 1.146 423 W HN 0.223 nan 8.180 nan 0.000 0.507 424 E N -0.708 119.696 120.200 0.340 0.000 2.465 424 E HA 0.101 4.451 4.350 -0.001 0.000 0.195 424 E C 2.138 178.729 176.600 -0.014 0.000 1.028 424 E CA 0.178 56.670 56.400 0.154 0.000 0.899 424 E CB 0.055 29.881 29.700 0.210 0.000 1.032 424 E HN 0.300 nan 8.360 nan 0.000 0.468 425 G N 1.435 110.278 108.800 0.071 0.000 2.470 425 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.220 425 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.220 425 G C 1.590 176.418 174.900 -0.119 0.000 1.121 425 G CA 0.481 45.593 45.100 0.019 0.000 0.766 425 G HN 0.136 nan 8.290 nan 0.000 0.553 426 Q N 0.341 119.916 119.800 -0.374 0.000 2.424 426 Q HA 0.081 4.421 4.340 -0.001 0.000 0.204 426 Q C 2.033 177.830 176.000 -0.338 0.000 0.933 426 Q CA 1.248 56.789 55.803 -0.437 0.000 0.929 426 Q CB 0.161 28.362 28.738 -0.896 0.000 1.037 426 Q HN 0.460 nan 8.270 nan 0.000 0.511 427 V N -2.830 116.876 119.914 -0.346 0.000 3.451 427 V HA 0.259 4.379 4.120 -0.001 0.000 0.288 427 V C 0.797 176.497 176.094 -0.657 0.000 1.502 427 V CA 0.512 62.604 62.300 -0.346 0.000 1.026 427 V CB -0.690 31.008 31.823 -0.208 0.000 0.840 427 V HN 0.486 nan 8.190 nan 0.000 0.437 428 N N 0.622 118.918 118.700 -0.673 0.000 2.235 428 N HA 0.419 5.158 4.740 -0.001 0.000 0.209 428 N C 1.210 176.369 175.510 -0.585 0.000 1.122 428 N CA 0.480 52.902 53.050 -1.046 0.000 0.845 428 N CB 0.880 39.054 38.487 -0.521 0.000 1.004 428 N HN 0.633 nan 8.380 nan 0.000 0.499 429 G N 2.770 111.338 108.800 -0.387 0.000 2.591 429 G HA2 -0.434 3.525 3.960 -0.001 0.000 0.298 429 G HA3 -0.434 3.525 3.960 -0.001 0.000 0.298 429 G C 0.523 175.344 174.900 -0.131 0.000 1.195 429 G CA 0.835 45.807 45.100 -0.213 0.000 0.989 429 G HN 0.472 nan 8.290 nan 0.000 0.551 430 E N 1.771 121.922 120.200 -0.082 0.000 2.482 430 E HA 0.288 4.637 4.350 -0.001 0.000 0.196 430 E C 1.109 177.686 176.600 -0.038 0.000 1.047 430 E CA 1.016 57.389 56.400 -0.046 0.000 0.869 430 E CB -0.189 29.497 29.700 -0.023 0.000 0.836 430 E HN 0.759 nan 8.360 nan 0.000 0.520 431 E N 2.193 122.366 120.200 -0.046 0.000 2.415 431 E HA -0.009 4.340 4.350 -0.001 0.000 0.262 431 E C -0.228 176.361 176.600 -0.019 0.000 1.038 431 E CA -0.491 55.898 56.400 -0.019 0.000 0.921 431 E CB 0.510 30.219 29.700 0.016 0.000 0.950 431 E HN -0.292 nan 8.360 nan 0.000 0.438 432 K N 2.195 122.594 120.400 -0.002 0.000 2.600 432 K HA 0.218 4.537 4.320 -0.001 0.000 0.280 432 K C 0.273 176.876 176.600 0.006 0.000 0.971 432 K CA 1.323 57.612 56.287 0.003 0.000 1.053 432 K CB -0.660 31.847 32.500 0.013 0.000 0.856 432 K HN 0.852 nan 8.250 nan 0.000 0.495 433 G N 2.094 110.894 108.800 0.000 0.000 3.363 433 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.685 433 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.685 433 G C -0.999 173.903 174.900 0.005 0.000 1.199 433 G CA -0.896 44.208 45.100 0.007 0.000 0.946 433 G HN 0.449 nan 8.290 nan 0.000 0.558 434 E N 3.212 123.413 120.200 0.001 0.000 2.343 434 E HA 0.391 4.741 4.350 -0.001 0.000 0.269 434 E C -2.006 174.642 176.600 0.080 0.000 1.047 434 E CA -1.544 54.861 56.400 0.009 0.000 0.874 434 E CB 1.064 30.749 29.700 -0.025 0.000 1.033 434 E HN 0.316 nan 8.360 nan 0.000 0.409 435 P HA -0.135 nan 4.420 nan 0.000 0.267 435 P C -0.997 176.430 177.300 0.212 0.000 1.195 435 P CA 0.389 63.541 63.100 0.088 0.000 0.773 435 P CB 0.354 32.074 31.700 0.035 0.000 0.837 436 W N 2.036 123.257 121.300 -0.132 0.000 2.313 436 W HA 0.386 5.046 4.660 -0.001 0.000 0.328 436 W C -0.010 176.481 176.519 -0.048 0.000 1.197 436 W CA -0.331 56.901 57.345 -0.189 0.000 1.235 436 W CB 0.067 29.262 29.460 -0.442 0.000 1.158 436 W HN 0.118 nan 8.180 nan 0.000 0.578 437 V N -0.100 119.892 119.914 0.130 0.000 3.177 437 V HA 0.469 4.588 4.120 -0.001 0.000 0.319 437 V C 0.968 177.192 176.094 0.216 0.000 1.125 437 V CA -0.763 61.617 62.300 0.133 0.000 1.029 437 V CB 1.711 33.548 31.823 0.024 0.000 1.119 437 V HN 0.551 nan 8.190 nan 0.000 0.452 438 E N 1.463 121.775 120.200 0.186 0.000 2.097 438 E HA -0.177 4.172 4.350 -0.001 0.000 0.196 438 E C 2.294 178.991 176.600 0.163 0.000 1.000 438 E CA 2.036 58.560 56.400 0.206 0.000 0.804 438 E CB -0.453 29.285 29.700 0.063 0.000 0.740 438 E HN 1.019 nan 8.360 nan 0.000 0.454 439 S N 0.938 116.654 115.700 0.027 0.000 2.469 439 S HA -0.131 4.338 4.470 -0.001 0.000 0.238 439 S C 1.384 175.895 174.600 -0.150 0.000 0.998 439 S CA 1.001 59.169 58.200 -0.053 0.000 0.957 439 S CB -0.051 63.093 63.200 -0.093 0.000 0.764 439 S HN 0.063 nan 8.310 nan 0.000 0.514 440 D N 0.863 121.115 120.400 -0.246 0.000 2.178 440 D HA -0.031 4.608 4.640 -0.001 0.000 0.202 440 D C 1.497 177.431 176.300 -0.610 0.000 0.974 440 D CA 1.070 54.689 54.000 -0.634 0.000 0.841 440 D CB -0.387 39.777 40.800 -1.060 0.000 0.953 440 D HN 0.525 nan 8.370 nan 0.000 0.478 441 Y N 0.868 121.060 120.300 -0.180 0.000 2.114 441 Y HA -0.099 4.450 4.550 -0.001 0.000 0.284 441 Y C -0.346 175.519 175.900 -0.059 0.000 1.143 441 Y CA 1.173 59.269 58.100 -0.007 0.000 1.135 441 Y CB -1.613 36.897 38.460 0.082 0.000 0.980 441 Y HN 0.151 nan 8.280 nan 0.000 0.499 442 P HA -0.103 nan 4.420 nan 0.000 0.223 442 P C 1.303 178.584 177.300 -0.031 0.000 1.151 442 P CA 1.514 64.626 63.100 0.019 0.000 0.787 442 P CB -0.088 31.614 31.700 0.004 0.000 0.788 443 I N 0.080 120.576 120.570 -0.123 0.000 2.202 443 I HA -0.187 3.982 4.170 -0.001 0.000 0.242 443 I C 2.552 178.589 176.117 -0.133 0.000 1.091 443 I CA 1.386 62.593 61.300 -0.156 0.000 1.368 443 I CB -0.864 36.969 38.000 -0.279 0.000 1.058 443 I HN -0.101 nan 8.210 nan 0.000 0.410 444 A N 0.727 123.410 122.820 -0.228 0.000 1.902 444 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 444 A C 2.396 180.156 177.584 0.295 0.000 1.181 444 A CA 1.971 53.993 52.037 -0.025 0.000 0.623 444 A CB -0.536 18.445 19.000 -0.031 0.000 0.818 444 A HN 0.363 nan 8.150 nan 0.000 0.443 445 K N -0.384 120.136 120.400 0.200 0.000 2.097 445 K HA -0.025 4.294 4.320 -0.001 0.000 0.205 445 K C 2.080 178.816 176.600 0.227 0.000 1.050 445 K CA 1.133 57.567 56.287 0.245 0.000 0.938 445 K CB -0.302 32.284 32.500 0.143 0.000 0.718 445 K HN 0.350 nan 8.250 nan 0.000 0.442 446 A N 0.442 123.349 122.820 0.144 0.000 1.969 446 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 446 A C 2.086 179.786 177.584 0.193 0.000 1.169 446 A CA 1.724 53.841 52.037 0.133 0.000 0.635 446 A CB -0.393 18.634 19.000 0.044 0.000 0.810 446 A HN 0.339 nan 8.150 nan 0.000 0.445 447 S N -0.813 115.019 115.700 0.220 0.000 2.355 447 S HA -0.166 4.303 4.470 -0.001 0.000 0.222 447 S C 1.991 176.803 174.600 0.353 0.000 1.031 447 S CA 1.800 60.187 58.200 0.312 0.000 0.993 447 S CB -0.333 63.082 63.200 0.359 0.000 0.859 447 S HN 0.578 nan 8.310 nan 0.000 0.453 448 M N 1.059 120.898 119.600 0.397 0.000 2.086 448 M HA -0.036 4.444 4.480 -0.001 0.000 0.261 448 M C 1.724 178.002 176.300 -0.036 0.000 1.067 448 M CA 1.463 56.883 55.300 0.200 0.000 1.116 448 M CB -0.681 32.112 32.600 0.322 0.000 1.348 448 M HN 0.314 nan 8.290 nan 0.000 0.407 449 F N -0.102 119.834 119.950 -0.024 0.000 2.095 449 F HA -0.213 4.313 4.527 -0.001 0.000 0.298 449 F C 2.233 177.964 175.800 -0.116 0.000 1.104 449 F CA 2.148 60.098 58.000 -0.083 0.000 1.232 449 F CB -0.795 38.179 39.000 -0.042 0.000 0.987 449 F HN 0.162 nan 8.300 nan 0.000 0.475 450 S N 0.190 115.883 115.700 -0.010 0.000 2.359 450 S HA -0.200 4.270 4.470 -0.001 0.000 0.224 450 S C 1.880 176.363 174.600 -0.196 0.000 1.035 450 S CA 1.489 59.635 58.200 -0.090 0.000 1.018 450 S CB -0.389 62.842 63.200 0.052 0.000 0.876 450 S HN 0.425 nan 8.310 nan 0.000 0.448 451 E N 1.285 121.376 120.200 -0.183 0.000 2.106 451 E HA -0.021 4.328 4.350 -0.001 0.000 0.192 451 E C 2.331 178.626 176.600 -0.508 0.000 0.984 451 E CA 1.029 57.244 56.400 -0.308 0.000 0.806 451 E CB -0.499 28.951 29.700 -0.417 0.000 0.750 451 E HN 0.477 nan 8.360 nan 0.000 0.458 452 A N 1.412 123.827 122.820 -0.676 0.000 1.933 452 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 452 A C 2.125 179.466 177.584 -0.405 0.000 1.175 452 A CA 1.743 53.350 52.037 -0.717 0.000 0.628 452 A CB -0.473 18.073 19.000 -0.757 0.000 0.814 452 A HN 0.325 nan 8.150 nan 0.000 0.444 453 E N -0.318 119.543 120.200 -0.565 0.000 2.106 453 E HA -0.202 4.148 4.350 -0.001 0.000 0.192 453 E C 2.186 178.620 176.600 -0.276 0.000 0.984 453 E CA 0.982 57.074 56.400 -0.513 0.000 0.806 453 E CB -0.123 29.145 29.700 -0.720 0.000 0.750 453 E HN 0.596 nan 8.360 nan 0.000 0.458 454 R N -0.250 120.118 120.500 -0.220 0.000 2.090 454 R HA 0.016 4.356 4.340 -0.001 0.000 0.228 454 R C 2.297 178.571 176.300 -0.045 0.000 1.110 454 R CA 1.068 57.106 56.100 -0.103 0.000 0.973 454 R CB 0.054 30.297 30.300 -0.095 0.000 0.869 454 R HN 0.268 nan 8.270 nan 0.000 0.440 455 L N 0.303 121.469 121.223 -0.096 0.000 2.513 455 L HA 0.101 4.440 4.340 -0.001 0.000 0.222 455 L C 2.283 179.193 176.870 0.066 0.000 1.096 455 L CA 0.058 54.872 54.840 -0.044 0.000 0.857 455 L CB -0.132 41.836 42.059 -0.152 0.000 1.026 455 L HN 0.143 nan 8.230 nan 0.000 0.469 456 R N -0.142 120.393 120.500 0.058 0.000 2.127 456 R HA -0.160 4.180 4.340 -0.001 0.000 0.238 456 R C 0.368 176.595 176.300 -0.121 0.000 1.134 456 R CA 1.727 57.810 56.100 -0.028 0.000 0.975 456 R CB -0.426 29.849 30.300 -0.043 0.000 0.865 456 R HN 0.194 nan 8.270 nan 0.000 0.447 457 D N 0.073 120.395 120.400 -0.129 0.000 2.368 457 D HA 0.102 4.742 4.640 -0.001 0.000 0.218 457 D C -0.497 175.634 176.300 -0.281 0.000 1.112 457 D CA 0.101 54.009 54.000 -0.154 0.000 0.834 457 D CB 0.127 40.865 40.800 -0.102 0.000 0.953 457 D HN 0.273 nan 8.370 nan 0.000 0.505 458 H N 1.026 120.026 119.070 -0.116 0.000 2.640 458 H HA 0.137 4.693 4.556 -0.001 0.000 0.297 458 H C -1.440 173.712 175.328 -0.292 0.000 1.073 458 H CA -1.491 54.466 56.048 -0.153 0.000 1.305 458 H CB 1.666 31.384 29.762 -0.072 0.000 1.404 458 H HN -0.029 nan 8.280 nan 0.000 0.459 459 P HA -0.129 nan 4.420 nan 0.000 0.223 459 P C 1.470 178.170 177.300 -1.000 0.000 1.151 459 P CA 0.760 63.354 63.100 -0.844 0.000 0.787 459 P CB 0.311 31.129 31.700 -1.469 0.000 0.788 460 S N -0.572 114.721 115.700 -0.679 0.000 2.400 460 S HA -0.068 4.402 4.470 -0.001 0.000 0.232 460 S C 1.122 175.720 174.600 -0.004 0.000 1.025 460 S CA 0.498 58.581 58.200 -0.195 0.000 0.993 460 S CB -1.682 61.569 63.200 0.085 0.000 0.808 460 S HN -0.048 nan 8.310 nan 0.000 0.478 461 V N 3.954 123.875 119.914 0.011 0.000 2.485 461 V HA 0.143 4.262 4.120 -0.001 0.000 0.287 461 V C 1.284 177.397 176.094 0.031 0.000 1.022 461 V CA 0.280 62.625 62.300 0.075 0.000 1.067 461 V CB 0.187 32.046 31.823 0.059 0.000 0.967 461 V HN 0.638 nan 8.190 nan 0.000 0.479 462 I N 2.121 122.747 120.570 0.093 0.000 4.070 462 I HA 0.397 4.566 4.170 -0.001 0.000 0.328 462 I C 0.627 176.884 176.117 0.233 0.000 1.298 462 I CA 0.153 61.533 61.300 0.133 0.000 1.173 462 I CB 0.541 38.606 38.000 0.108 0.000 1.051 462 I HN 0.663 nan 8.210 nan 0.000 0.409 463 S N -0.153 115.680 115.700 0.221 0.000 2.627 463 S HA 0.518 4.987 4.470 -0.001 0.000 0.268 463 S C -1.472 173.298 174.600 0.282 0.000 1.130 463 S CA -0.734 57.612 58.200 0.243 0.000 0.819 463 S CB 1.511 64.872 63.200 0.269 0.000 1.100 463 S HN 0.197 nan 8.310 nan 0.000 0.465 464 F N 1.814 121.816 119.950 0.087 0.000 2.493 464 F HA 0.479 5.006 4.527 -0.001 0.000 0.329 464 F C 0.030 175.712 175.800 -0.198 0.000 1.126 464 F CA -0.391 57.547 58.000 -0.103 0.000 0.937 464 F CB 1.412 40.221 39.000 -0.317 0.000 1.146 464 F HN 0.752 nan 8.300 nan 0.000 0.442 465 H N 7.853 126.615 119.070 -0.514 0.000 2.864 465 H HA 0.194 4.749 4.556 -0.001 0.000 0.281 465 H C 1.242 176.367 175.328 -0.338 0.000 1.093 465 H CA 0.382 56.230 56.048 -0.334 0.000 1.453 465 H CB 1.080 30.651 29.762 -0.318 0.000 1.462 465 H HN 0.782 nan 8.280 nan 0.000 0.480 466 I N 0.670 121.247 120.570 0.011 0.000 3.428 466 I HA 0.263 4.432 4.170 -0.001 0.000 0.286 466 I C 0.875 177.176 176.117 0.306 0.000 1.287 466 I CA 0.089 61.466 61.300 0.127 0.000 1.396 466 I CB 0.504 38.631 38.000 0.212 0.000 1.062 466 I HN 0.296 nan 8.210 nan 0.000 0.471 467 G N -0.360 108.575 108.800 0.225 0.000 2.690 467 G HA2 0.486 4.445 3.960 -0.001 0.000 0.291 467 G HA3 0.486 4.445 3.960 -0.001 0.000 0.291 467 G C -0.768 174.249 174.900 0.195 0.000 1.403 467 G CA 0.123 45.375 45.100 0.254 0.000 0.864 467 G HN 0.011 nan 8.290 nan 0.000 0.480 468 S N -0.495 115.305 115.700 0.167 0.000 3.064 468 S HA 0.517 4.986 4.470 -0.001 0.000 0.170 468 S C 2.621 177.238 174.600 0.027 0.000 0.713 468 S CA 1.718 59.966 58.200 0.080 0.000 0.891 468 S CB -0.537 62.704 63.200 0.069 0.000 0.772 468 S HN 1.787 nan 8.310 nan 0.000 0.701 469 A N 1.543 124.368 122.820 0.008 0.000 2.033 469 A HA -0.187 4.132 4.320 -0.001 0.000 0.282 469 A C 0.523 177.974 177.584 -0.222 0.000 2.983 469 A CA 2.143 54.140 52.037 -0.067 0.000 0.987 469 A CB -1.845 17.158 19.000 0.006 0.000 0.716 469 A HN 0.583 nan 8.150 nan 0.000 0.495 470 F N -0.998 118.987 119.950 0.059 0.000 2.422 470 F HA 0.606 5.132 4.527 -0.001 0.000 0.333 470 F C 0.752 176.599 175.800 0.078 0.000 1.095 470 F CA -0.288 57.744 58.000 0.053 0.000 1.038 470 F CB 1.471 40.488 39.000 0.029 0.000 1.156 470 F HN 0.512 nan 8.300 nan 0.000 0.483 471 A N 4.017 126.967 122.820 0.217 0.000 2.407 471 A HA 0.523 4.842 4.320 -0.001 0.000 0.248 471 A C -2.324 175.371 177.584 0.184 0.000 1.082 471 A CA -1.357 50.788 52.037 0.180 0.000 0.785 471 A CB -0.440 18.634 19.000 0.123 0.000 1.020 471 A HN 0.435 nan 8.150 nan 0.000 0.489 472 P HA 0.170 nan 4.420 nan 0.000 0.272 472 P C -0.655 176.670 177.300 0.041 0.000 1.230 472 P CA -0.256 62.909 63.100 0.110 0.000 0.788 472 P CB 0.419 32.234 31.700 0.192 0.000 0.949 473 D N 0.406 120.780 120.400 -0.042 0.000 2.380 473 D HA 0.039 4.679 4.640 -0.001 0.000 0.254 473 D C 1.370 177.659 176.300 -0.017 0.000 1.288 473 D CA -0.315 53.666 54.000 -0.033 0.000 1.008 473 D CB 0.314 41.072 40.800 -0.070 0.000 1.099 473 D HN 0.317 nan 8.370 nan 0.000 0.537 474 R N -0.610 119.882 120.500 -0.013 0.000 2.073 474 R HA -0.134 4.206 4.340 -0.001 0.000 0.234 474 R C 2.368 178.660 176.300 -0.015 0.000 1.134 474 R CA 1.184 57.281 56.100 -0.006 0.000 0.952 474 R CB -0.151 30.145 30.300 -0.007 0.000 0.850 474 R HN 0.521 nan 8.270 nan 0.000 0.433 475 R N 0.443 120.927 120.500 -0.027 0.000 2.080 475 R HA -0.138 4.201 4.340 -0.001 0.000 0.236 475 R C 2.262 178.557 176.300 -0.008 0.000 1.137 475 R CA 2.075 58.160 56.100 -0.025 0.000 0.943 475 R CB -0.338 29.931 30.300 -0.052 0.000 0.846 475 R HN 0.294 nan 8.270 nan 0.000 0.431 476 I N 0.423 120.969 120.570 -0.040 0.000 2.202 476 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 476 I C 2.585 178.526 176.117 -0.293 0.000 1.091 476 I CA 1.509 62.685 61.300 -0.206 0.000 1.368 476 I CB -0.408 37.369 38.000 -0.372 0.000 1.058 476 I HN 0.391 nan 8.210 nan 0.000 0.410 477 E N 0.743 120.899 120.200 -0.073 0.000 2.058 477 E HA -0.340 4.009 4.350 -0.001 0.000 0.194 477 E C 2.191 178.835 176.600 0.072 0.000 0.997 477 E CA 1.576 58.022 56.400 0.077 0.000 0.801 477 E CB -0.016 29.745 29.700 0.101 0.000 0.746 477 E HN 0.304 nan 8.360 nan 0.000 0.450 478 Q N 0.055 119.872 119.800 0.027 0.000 2.112 478 Q HA -0.126 4.213 4.340 -0.001 0.000 0.206 478 Q C 1.978 178.005 176.000 0.045 0.000 0.987 478 Q CA 2.203 58.028 55.803 0.036 0.000 0.858 478 Q CB -0.831 27.915 28.738 0.014 0.000 0.905 478 Q HN 0.378 nan 8.270 nan 0.000 0.420 479 G N -1.268 107.535 108.800 0.004 0.000 2.422 479 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 479 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 479 G C 0.871 175.848 174.900 0.128 0.000 1.146 479 G CA 0.894 46.012 45.100 0.030 0.000 0.769 479 G HN 0.365 nan 8.290 nan 0.000 0.547 480 Y N 0.811 121.206 120.300 0.158 0.000 2.145 480 Y HA 0.022 4.572 4.550 -0.001 0.000 0.286 480 Y C 2.810 178.752 175.900 0.071 0.000 1.145 480 Y CA 0.354 58.539 58.100 0.143 0.000 1.148 480 Y CB -0.849 37.731 38.460 0.201 0.000 0.981 480 Y HN 0.087 nan 8.280 nan 0.000 0.507 481 L N -0.560 120.801 121.223 0.231 0.000 2.056 481 L HA -0.204 4.136 4.340 -0.001 0.000 0.207 481 L C 2.008 178.947 176.870 0.115 0.000 1.078 481 L CA 1.380 56.305 54.840 0.143 0.000 0.749 481 L CB -0.585 41.542 42.059 0.113 0.000 0.901 481 L HN 0.088 nan 8.230 nan 0.000 0.433 482 D N 0.502 120.967 120.400 0.109 0.000 2.097 482 D HA -0.167 4.472 4.640 -0.001 0.000 0.195 482 D C 2.265 178.635 176.300 0.117 0.000 0.989 482 D CA 1.600 55.654 54.000 0.091 0.000 0.827 482 D CB -0.123 40.717 40.800 0.067 0.000 0.966 482 D HN 0.307 nan 8.370 nan 0.000 0.456 483 A N 0.601 123.513 122.820 0.153 0.000 1.877 483 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 483 A C 2.288 179.978 177.584 0.177 0.000 1.186 483 A CA 1.494 53.659 52.037 0.214 0.000 0.620 483 A CB -0.613 18.535 19.000 0.246 0.000 0.822 483 A HN 0.149 nan 8.150 nan 0.000 0.443 484 M N -0.693 118.946 119.600 0.065 0.000 2.108 484 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 484 M C 2.297 178.659 176.300 0.103 0.000 1.066 484 M CA 2.107 57.418 55.300 0.018 0.000 1.107 484 M CB -0.314 32.292 32.600 0.011 0.000 1.356 484 M HN 0.520 nan 8.290 nan 0.000 0.406 485 K N 0.700 121.164 120.400 0.108 0.000 2.057 485 K HA -0.138 4.182 4.320 -0.001 0.000 0.207 485 K C 1.918 178.587 176.600 0.115 0.000 1.049 485 K CA 1.532 57.878 56.287 0.098 0.000 0.931 485 K CB -0.109 32.438 32.500 0.078 0.000 0.714 485 K HN 0.279 nan 8.250 nan 0.000 0.440 486 A N 0.821 123.734 122.820 0.156 0.000 1.972 486 A HA -0.031 4.288 4.320 -0.001 0.000 0.219 486 A C 2.112 179.881 177.584 0.309 0.000 1.169 486 A CA 1.658 53.820 52.037 0.208 0.000 0.635 486 A CB -0.485 18.620 19.000 0.174 0.000 0.810 486 A HN 0.475 nan 8.150 nan 0.000 0.446 487 A N -1.083 121.863 122.820 0.210 0.000 2.251 487 A HA 0.255 4.575 4.320 -0.001 0.000 0.209 487 A C 0.387 177.901 177.584 -0.117 0.000 1.187 487 A CA 0.678 52.652 52.037 -0.105 0.000 0.823 487 A CB -0.215 18.516 19.000 -0.449 0.000 0.846 487 A HN 0.421 nan 8.150 nan 0.000 0.486 488 D N -1.758 118.661 120.400 0.032 0.000 2.708 488 D HA -0.211 4.429 4.640 -0.001 0.000 0.236 488 D C -0.337 175.977 176.300 0.024 0.000 1.146 488 D CA 0.915 54.948 54.000 0.055 0.000 0.662 488 D CB -1.661 39.232 40.800 0.155 0.000 1.059 488 D HN 0.550 nan 8.370 nan 0.000 0.428 489 F N 0.477 120.353 119.950 -0.123 0.000 2.413 489 F HA 0.334 4.861 4.527 -0.001 0.000 0.359 489 F C 0.804 176.548 175.800 -0.093 0.000 1.122 489 F CA -0.479 57.433 58.000 -0.148 0.000 1.160 489 F CB 0.448 39.317 39.000 -0.218 0.000 1.146 489 F HN -0.030 nan 8.300 nan 0.000 0.514 490 L N 7.079 128.043 121.223 -0.433 0.000 3.014 490 L HA 0.299 4.639 4.340 -0.001 0.000 0.263 490 L C -0.341 176.333 176.870 -0.325 0.000 1.207 490 L CA -0.095 54.595 54.840 -0.249 0.000 1.017 490 L CB -0.078 41.884 42.059 -0.161 0.000 1.360 490 L HN 0.514 nan 8.230 nan 0.000 0.560 491 L N 0.259 121.099 121.223 -0.640 0.000 2.421 491 L HA 0.396 4.736 4.340 -0.001 0.000 0.263 491 L C -1.969 174.828 176.870 -0.122 0.000 1.122 491 L CA -1.883 52.700 54.840 -0.429 0.000 0.804 491 L CB 0.350 42.041 42.059 -0.615 0.000 1.150 491 L HN -0.184 nan 8.230 nan 0.000 0.457 492 P HA 0.009 nan 4.420 nan 0.000 0.265 492 P C -1.040 176.295 177.300 0.057 0.000 1.193 492 P CA -0.017 63.076 63.100 -0.012 0.000 0.765 492 P CB 0.493 32.155 31.700 -0.063 0.000 0.823 493 V N 5.543 125.475 119.914 0.030 0.000 2.398 493 V HA 0.340 4.459 4.120 -0.001 0.000 0.286 493 V C 0.359 176.398 176.094 -0.091 0.000 1.026 493 V CA -0.321 61.999 62.300 0.032 0.000 0.868 493 V CB 1.055 32.922 31.823 0.073 0.000 0.982 493 V HN 0.355 nan 8.190 nan 0.000 0.443 494 I N 7.742 128.180 120.570 -0.221 0.000 2.378 494 I HA 0.381 4.551 4.170 -0.001 0.000 0.291 494 I C -1.356 174.626 176.117 -0.224 0.000 0.992 494 I CA -1.776 59.312 61.300 -0.352 0.000 1.154 494 I CB 2.477 40.023 38.000 -0.756 0.000 1.315 494 I HN 0.420 nan 8.210 nan 0.000 0.448 495 P HA -0.017 nan 4.420 nan 0.000 0.219 495 P C 0.129 177.476 177.300 0.078 0.000 1.150 495 P CA 0.908 64.024 63.100 0.027 0.000 0.814 495 P CB 0.556 32.274 31.700 0.031 0.000 0.787 496 A N -1.622 121.244 122.820 0.075 0.000 2.612 496 A HA 0.641 4.961 4.320 -0.001 0.000 0.293 496 A C 0.311 178.014 177.584 0.199 0.000 1.075 496 A CA 0.030 52.148 52.037 0.135 0.000 0.680 496 A CB 0.612 19.648 19.000 0.059 0.000 1.279 496 A HN -0.064 nan 8.150 nan 0.000 0.411 497 A N 0.185 123.087 122.820 0.136 0.000 2.220 497 A HA 0.468 4.788 4.320 -0.001 0.000 0.211 497 A C 1.351 178.931 177.584 -0.006 0.000 1.176 497 A CA 1.292 53.348 52.037 0.033 0.000 0.834 497 A CB -0.604 18.277 19.000 -0.199 0.000 0.868 497 A HN 1.845 nan 8.150 nan 0.000 0.488 498 S N -1.063 114.626 115.700 -0.018 0.000 2.646 498 S HA 0.593 5.062 4.470 -0.001 0.000 0.273 498 S C 1.148 175.741 174.600 -0.010 0.000 1.168 498 S CA 0.045 58.223 58.200 -0.037 0.000 1.013 498 S CB 1.028 64.166 63.200 -0.103 0.000 1.098 498 S HN 0.786 nan 8.310 nan 0.000 0.544 499 A N -0.343 122.471 122.820 -0.010 0.000 2.238 499 A HA 0.213 4.532 4.320 -0.001 0.000 0.208 499 A C 0.956 178.542 177.584 0.004 0.000 1.177 499 A CA -0.158 51.889 52.037 0.016 0.000 0.804 499 A CB -0.568 18.457 19.000 0.042 0.000 0.823 499 A HN 0.696 nan 8.150 nan 0.000 0.482 500 R N 1.397 121.882 120.500 -0.025 0.000 2.401 500 R HA 0.234 4.573 4.340 -0.001 0.000 0.299 500 R C -2.531 173.780 176.300 0.019 0.000 1.064 500 R CA -1.458 54.633 56.100 -0.014 0.000 1.000 500 R CB 0.245 30.511 30.300 -0.057 0.000 0.973 500 R HN 0.256 nan 8.270 nan 0.000 0.438 501 P HA 0.032 nan 4.420 nan 0.000 0.277 501 P C -0.643 176.686 177.300 0.049 0.000 1.240 501 P CA -0.440 62.680 63.100 0.034 0.000 0.798 501 P CB 1.327 33.044 31.700 0.029 0.000 0.979 502 S N 1.458 117.188 115.700 0.049 0.000 2.654 502 S HA 0.450 4.920 4.470 -0.001 0.000 0.283 502 S C -1.842 172.785 174.600 0.044 0.000 1.180 502 S CA -1.340 56.896 58.200 0.060 0.000 1.021 502 S CB 0.674 63.920 63.200 0.076 0.000 1.018 502 S HN 0.212 nan 8.310 nan 0.000 0.532 503 P HA 0.018 nan 4.420 nan 0.000 0.217 503 P C 0.953 178.269 177.300 0.027 0.000 1.150 503 P CA 1.014 64.131 63.100 0.029 0.000 0.832 503 P CB -0.030 31.683 31.700 0.023 0.000 0.787 504 I N -1.931 118.660 120.570 0.034 0.000 2.522 504 I HA -0.081 4.089 4.170 -0.001 0.000 0.240 504 I C 2.066 178.201 176.117 0.030 0.000 1.078 504 I CA 1.186 62.505 61.300 0.031 0.000 1.422 504 I CB -1.262 36.761 38.000 0.038 0.000 1.188 504 I HN -0.170 nan 8.210 nan 0.000 0.442 505 T N 0.374 114.950 114.554 0.037 0.000 2.821 505 T HA 0.119 4.468 4.350 -0.001 0.000 0.267 505 T C 1.111 175.819 174.700 0.012 0.000 1.046 505 T CA 1.254 63.369 62.100 0.025 0.000 1.139 505 T CB -0.422 68.465 68.868 0.031 0.000 0.871 505 T HN 0.687 nan 8.240 nan 0.000 0.454 506 G N 1.003 109.813 108.800 0.018 0.000 2.516 506 G HA2 0.149 4.108 3.960 -0.001 0.000 0.220 506 G HA3 0.149 4.108 3.960 -0.001 0.000 0.220 506 G C -0.100 174.806 174.900 0.010 0.000 1.165 506 G CA -0.298 44.810 45.100 0.013 0.000 1.013 506 G HN 0.832 nan 8.290 nan 0.000 0.590 507 A N 0.048 122.871 122.820 0.005 0.000 2.425 507 A HA 0.650 4.969 4.320 -0.001 0.000 0.249 507 A C 1.760 179.338 177.584 -0.010 0.000 1.084 507 A CA 1.390 53.431 52.037 0.006 0.000 0.781 507 A CB 0.590 19.597 19.000 0.012 0.000 1.019 507 A HN 2.310 nan 8.150 nan 0.000 0.490 508 S N 2.131 117.828 115.700 -0.005 0.000 2.395 508 S HA 0.250 4.719 4.470 -0.001 0.000 0.225 508 S C 1.549 176.124 174.600 -0.042 0.000 1.027 508 S CA 1.137 59.320 58.200 -0.028 0.000 0.965 508 S CB -0.608 62.589 63.200 -0.004 0.000 0.812 508 S HN 2.603 nan 8.310 nan 0.000 0.482 509 G N 1.222 110.024 108.800 0.003 0.000 2.148 509 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.254 509 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.254 509 G C -0.030 174.913 174.900 0.071 0.000 0.981 509 G CA 0.797 45.917 45.100 0.033 0.000 0.670 509 G HN 0.561 nan 8.290 nan 0.000 0.528 510 M N -1.108 118.525 119.600 0.055 0.000 2.719 510 M HA 0.660 5.140 4.480 -0.001 0.000 0.291 510 M C -0.179 176.159 176.300 0.063 0.000 1.264 510 M CA -0.930 54.425 55.300 0.091 0.000 0.811 510 M CB 2.532 35.151 32.600 0.032 0.000 1.756 510 M HN 0.284 nan 8.290 nan 0.000 0.464 511 K N 0.579 121.005 120.400 0.043 0.000 2.527 511 K HA 0.664 4.983 4.320 -0.001 0.000 0.260 511 K C -1.583 174.993 176.600 -0.041 0.000 0.937 511 K CA -0.764 55.512 56.287 -0.019 0.000 0.826 511 K CB 2.722 35.157 32.500 -0.107 0.000 1.359 511 K HN 0.826 nan 8.250 nan 0.000 0.434 512 M N 3.758 123.341 119.600 -0.029 0.000 2.952 512 M HA 0.274 4.753 4.480 -0.001 0.000 0.259 512 M C -0.937 175.401 176.300 0.063 0.000 1.306 512 M CA -0.380 54.913 55.300 -0.013 0.000 0.626 512 M CB 0.326 32.920 32.600 -0.010 0.000 1.423 512 M HN 0.682 nan 8.290 nan 0.000 0.459 513 N N 0.965 119.680 118.700 0.025 0.000 2.270 513 N HA 0.249 4.988 4.740 -0.001 0.000 0.198 513 N C 0.766 176.350 175.510 0.125 0.000 1.117 513 N CA 0.881 53.990 53.050 0.098 0.000 0.845 513 N CB 0.737 39.261 38.487 0.060 0.000 0.980 513 N HN 0.791 nan 8.380 nan 0.000 0.486 514 G N 1.494 110.297 108.800 0.006 0.000 2.752 514 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.234 514 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.234 514 G C -2.774 171.995 174.900 -0.218 0.000 1.367 514 G CA -0.714 44.222 45.100 -0.274 0.000 0.879 514 G HN 0.144 nan 8.290 nan 0.000 0.563 515 P HA 0.501 nan 4.420 nan 0.000 0.279 515 P C -0.563 176.415 177.300 -0.537 0.000 1.276 515 P CA -0.046 62.857 63.100 -0.328 0.000 0.801 515 P CB 0.462 31.894 31.700 -0.447 0.000 1.127 516 Y N -2.445 117.908 120.300 0.088 0.000 2.672 516 Y HA 0.354 4.904 4.550 -0.001 0.000 0.252 516 Y C 0.500 176.590 175.900 0.317 0.000 1.132 516 Y CA -0.078 58.072 58.100 0.083 0.000 1.228 516 Y CB 0.864 39.317 38.460 -0.012 0.000 1.310 516 Y HN 0.226 nan 8.280 nan 0.000 0.549 517 D N -1.839 118.812 120.400 0.419 0.000 2.664 517 D HA 0.096 4.736 4.640 -0.001 0.000 0.292 517 D C -1.297 175.188 176.300 0.310 0.000 1.214 517 D CA -0.842 53.431 54.000 0.455 0.000 0.932 517 D CB 1.483 42.644 40.800 0.601 0.000 1.420 517 D HN -0.169 nan 8.370 nan 0.000 0.471 518 Y N 1.251 121.719 120.300 0.280 0.000 2.805 518 Y HA 0.234 4.783 4.550 -0.001 0.000 0.331 518 Y C -0.053 175.904 175.900 0.095 0.000 1.241 518 Y CA 0.649 58.892 58.100 0.239 0.000 1.546 518 Y CB 0.082 38.714 38.460 0.286 0.000 1.248 518 Y HN 0.096 nan 8.280 nan 0.000 0.559 519 V N 5.759 125.174 119.914 -0.831 0.000 2.925 519 V HA 0.680 4.799 4.120 -0.001 0.000 0.311 519 V C -2.841 172.661 176.094 -0.987 0.000 1.104 519 V CA -2.593 59.211 62.300 -0.828 0.000 0.954 519 V CB 1.927 33.008 31.823 -1.237 0.000 1.022 519 V HN 0.646 nan 8.190 nan 0.000 0.427 520 P HA 0.329 nan 4.420 nan 0.000 0.274 520 P C -2.392 174.841 177.300 -0.112 0.000 1.246 520 P CA -1.467 61.523 63.100 -0.183 0.000 0.795 520 P CB 0.647 32.313 31.700 -0.057 0.000 1.006 521 P HA -0.175 nan 4.420 nan 0.000 0.216 521 P C 1.730 179.160 177.300 0.217 0.000 1.154 521 P CA 1.008 64.166 63.100 0.096 0.000 0.865 521 P CB -0.207 31.294 31.700 -0.332 0.000 0.789 522 V N -1.422 118.567 119.914 0.125 0.000 2.594 522 V HA -0.265 3.854 4.120 -0.001 0.000 0.253 522 V C 2.168 178.425 176.094 0.271 0.000 1.069 522 V CA 1.505 63.968 62.300 0.272 0.000 1.082 522 V CB -1.259 30.653 31.823 0.150 0.000 0.680 522 V HN 0.062 nan 8.190 nan 0.000 0.469 523 Y N -0.153 120.099 120.300 -0.080 0.000 2.132 523 Y HA -0.345 4.205 4.550 -0.001 0.000 0.280 523 Y C 1.934 177.783 175.900 -0.085 0.000 1.193 523 Y CA 2.557 60.539 58.100 -0.198 0.000 1.157 523 Y CB -0.434 37.657 38.460 -0.615 0.000 0.966 523 Y HN 0.440 nan 8.280 nan 0.000 0.511 524 W N -1.735 119.751 121.300 0.310 0.000 2.425 524 W HA -0.165 4.494 4.660 -0.001 0.000 0.277 524 W C 1.545 177.993 176.519 -0.119 0.000 1.231 524 W CA 0.737 58.147 57.345 0.109 0.000 1.248 524 W CB -0.613 28.860 29.460 0.022 0.000 1.117 524 W HN 0.080 nan 8.180 nan 0.000 0.568 525 Y N 0.159 120.619 120.300 0.267 0.000 2.578 525 Y HA -0.017 4.532 4.550 -0.001 0.000 0.297 525 Y C 0.735 176.686 175.900 0.084 0.000 1.176 525 Y CA 0.198 58.391 58.100 0.154 0.000 1.315 525 Y CB -0.710 37.840 38.460 0.149 0.000 1.031 525 Y HN -0.228 nan 8.280 nan 0.000 0.524 526 D N 0.559 121.050 120.400 0.152 0.000 2.425 526 D HA 0.038 4.677 4.640 -0.001 0.000 0.247 526 D C 0.553 176.899 176.300 0.078 0.000 1.147 526 D CA 0.427 54.458 54.000 0.051 0.000 0.879 526 D CB 0.718 41.476 40.800 -0.069 0.000 1.179 526 D HN 0.113 nan 8.370 nan 0.000 0.456 527 K N 1.387 121.767 120.400 -0.032 0.000 2.402 527 K HA 0.033 4.352 4.320 -0.001 0.000 0.204 527 K C 1.430 177.784 176.600 -0.410 0.000 1.056 527 K CA 0.111 56.288 56.287 -0.182 0.000 1.069 527 K CB 0.560 32.973 32.500 -0.146 0.000 0.888 527 K HN 0.436 nan 8.250 nan 0.000 0.546 528 S N 0.281 115.766 115.700 -0.358 0.000 2.478 528 S HA 0.034 4.503 4.470 -0.001 0.000 0.222 528 S C 0.771 175.086 174.600 -0.476 0.000 1.008 528 S CA 0.118 58.076 58.200 -0.403 0.000 0.928 528 S CB 0.156 63.142 63.200 -0.357 0.000 0.781 528 S HN 0.027 nan 8.310 nan 0.000 0.518 529 Q N 2.045 121.519 119.800 -0.543 0.000 2.430 529 Q HA 0.286 4.625 4.340 -0.001 0.000 0.245 529 Q C 0.416 176.304 176.000 -0.187 0.000 1.021 529 Q CA -0.120 55.390 55.803 -0.488 0.000 0.867 529 Q CB 1.466 29.702 28.738 -0.836 0.000 1.210 529 Q HN 0.780 nan 8.270 nan 0.000 0.487 530 K N 0.236 120.528 120.400 -0.181 0.000 2.486 530 K HA -0.007 4.312 4.320 -0.001 0.000 0.194 530 K C -0.002 176.742 176.600 0.240 0.000 1.033 530 K CA 0.882 57.122 56.287 -0.078 0.000 1.004 530 K CB 0.489 32.863 32.500 -0.211 0.000 0.798 530 K HN 0.165 nan 8.250 nan 0.000 0.495 531 D N 0.567 121.052 120.400 0.142 0.000 2.402 531 D HA 0.109 4.749 4.640 -0.001 0.000 0.216 531 D C 0.054 176.454 176.300 0.166 0.000 1.128 531 D CA 0.016 54.109 54.000 0.156 0.000 0.833 531 D CB 0.485 41.344 40.800 0.099 0.000 0.971 531 D HN 0.066 nan 8.370 nan 0.000 0.503 532 R N -0.367 120.247 120.500 0.191 0.000 3.006 532 R HA 0.583 4.922 4.340 -0.001 0.000 0.235 532 R C 1.007 177.358 176.300 0.085 0.000 1.362 532 R CA -0.883 55.314 56.100 0.162 0.000 1.067 532 R CB -0.090 30.276 30.300 0.110 0.000 1.396 532 R HN -0.076 nan 8.270 nan 0.000 0.504 533 G N -0.351 108.521 108.800 0.120 0.000 3.707 533 G HA2 0.254 4.213 3.960 -0.001 0.000 0.286 533 G HA3 0.254 4.213 3.960 -0.001 0.000 0.286 533 G C 0.451 175.403 174.900 0.087 0.000 1.112 533 G CA 0.028 45.171 45.100 0.072 0.000 0.861 533 G HN 0.543 nan 8.290 nan 0.000 0.534 534 G N -0.242 108.493 108.800 -0.108 0.000 2.683 534 G HA2 0.432 4.392 3.960 -0.001 0.000 0.260 534 G HA3 0.432 4.392 3.960 -0.001 0.000 0.260 534 G C 0.536 175.269 174.900 -0.279 0.000 1.238 534 G CA 0.139 45.209 45.100 -0.050 0.000 0.934 534 G HN 0.611 nan 8.290 nan 0.000 0.534 535 A N 1.057 123.721 122.820 -0.261 0.000 2.990 535 A HA 0.547 4.866 4.320 -0.001 0.000 0.282 535 A C -0.325 177.141 177.584 -0.198 0.000 1.688 535 A CA -0.426 51.177 52.037 -0.724 0.000 1.391 535 A CB -0.996 17.581 19.000 -0.705 0.000 1.112 535 A HN 0.884 nan 8.150 nan 0.000 0.588 536 W N -0.150 121.030 121.300 -0.199 0.000 3.464 536 W HA 0.551 5.210 4.660 -0.001 0.000 0.292 536 W C -0.237 176.292 176.519 0.015 0.000 1.262 536 W CA -0.116 57.189 57.345 -0.068 0.000 1.202 536 W CB -0.104 29.317 29.460 -0.065 0.000 1.334 536 W HN 1.054 nan 8.180 nan 0.000 0.561 537 S N 0.621 116.478 115.700 0.262 0.000 3.569 537 S HA -0.281 4.188 4.470 -0.001 0.000 0.635 537 S C -0.969 173.708 174.600 0.129 0.000 2.396 537 S CA 0.781 59.099 58.200 0.196 0.000 2.612 537 S CB -1.220 62.076 63.200 0.159 0.000 0.331 537 S HN 0.944 nan 8.310 nan 0.000 1.764 538 F N 2.619 122.578 119.950 0.014 0.000 2.332 538 F HA 0.474 5.001 4.527 -0.001 0.000 0.368 538 F C 0.302 176.073 175.800 -0.049 0.000 1.110 538 F CA -0.763 57.257 58.000 0.034 0.000 1.087 538 F CB 0.624 39.683 39.000 0.099 0.000 1.235 538 F HN 0.494 nan 8.300 nan 0.000 0.470 539 N N 3.387 122.050 118.700 -0.063 0.000 2.466 539 N HA -0.034 4.705 4.740 -0.001 0.000 0.263 539 N C 0.985 176.469 175.510 -0.043 0.000 1.178 539 N CA 0.234 53.225 53.050 -0.097 0.000 0.983 539 N CB 1.002 39.385 38.487 -0.174 0.000 1.331 539 N HN 0.695 nan 8.380 nan 0.000 0.500 540 S N 1.250 117.015 115.700 0.109 0.000 2.561 540 S HA -0.042 4.427 4.470 -0.001 0.000 0.225 540 S C 0.060 174.570 174.600 -0.150 0.000 0.977 540 S CA 0.186 58.462 58.200 0.126 0.000 0.926 540 S CB -0.215 63.024 63.200 0.065 0.000 0.769 540 S HN 0.663 nan 8.310 nan 0.000 0.533 541 E N -1.005 119.012 120.200 -0.304 0.000 2.933 541 E HA 0.346 4.696 4.350 -0.001 0.000 0.372 541 E C -1.009 175.229 176.600 -0.603 0.000 1.011 541 E CA -0.513 55.536 56.400 -0.585 0.000 0.704 541 E CB 0.072 28.951 29.700 -1.370 0.000 1.423 541 E HN 0.021 nan 8.360 nan 0.000 0.420 542 T N 0.904 115.178 114.554 -0.468 0.000 2.932 542 T HA 0.738 5.088 4.350 -0.001 0.000 0.318 542 T C -1.486 172.934 174.700 -0.466 0.000 1.265 542 T CA 0.307 62.098 62.100 -0.516 0.000 1.036 542 T CB 1.842 70.539 68.868 -0.285 0.000 1.209 542 T HN 0.909 nan 8.240 nan 0.000 0.484 543 S N 1.763 117.259 115.700 -0.341 0.000 2.672 543 S HA 0.744 5.213 4.470 -0.001 0.000 0.271 543 S C 0.117 174.810 174.600 0.155 0.000 1.171 543 S CA -0.193 57.865 58.200 -0.238 0.000 0.817 543 S CB 0.987 63.776 63.200 -0.685 0.000 1.150 543 S HN 1.270 nan 8.310 nan 0.000 0.478 544 A N -0.062 122.938 122.820 0.299 0.000 2.507 544 A HA 0.740 5.059 4.320 -0.001 0.000 0.270 544 A C 1.447 179.257 177.584 0.376 0.000 1.318 544 A CA 0.708 52.922 52.037 0.296 0.000 0.924 544 A CB -1.461 17.707 19.000 0.280 0.000 1.061 544 A HN 2.500 nan 8.150 nan 0.000 0.516 545 G N -0.810 108.225 108.800 0.393 0.000 2.833 545 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.260 545 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.260 545 G C 0.218 175.298 174.900 0.300 0.000 1.412 545 G CA -0.194 45.185 45.100 0.465 0.000 0.986 545 G HN 0.851 nan 8.290 nan 0.000 0.556 546 V N 2.722 122.722 119.914 0.144 0.000 2.599 546 V HA 0.392 4.511 4.120 -0.001 0.000 0.300 546 V C -0.234 175.737 176.094 -0.205 0.000 1.034 546 V CA 1.147 63.340 62.300 -0.177 0.000 1.115 546 V CB 1.314 32.768 31.823 -0.616 0.000 0.934 546 V HN 0.566 nan 8.190 nan 0.000 0.485 547 D N 4.332 124.650 120.400 -0.136 0.000 2.405 547 D HA 0.255 4.895 4.640 -0.001 0.000 0.264 547 D C -0.308 175.950 176.300 -0.070 0.000 1.240 547 D CA -0.449 53.528 54.000 -0.038 0.000 0.893 547 D CB 1.008 41.859 40.800 0.084 0.000 1.198 547 D HN 0.220 nan 8.370 nan 0.000 0.514 548 I N 3.514 124.012 120.570 -0.120 0.000 2.742 548 I HA 0.021 4.190 4.170 -0.001 0.000 0.287 548 I C -1.647 174.475 176.117 0.008 0.000 1.186 548 I CA -1.366 59.914 61.300 -0.034 0.000 1.417 548 I CB -0.491 37.527 38.000 0.031 0.000 1.377 548 I HN 0.007 nan 8.210 nan 0.000 0.556 549 P HA 0.117 nan 4.420 nan 0.000 0.286 549 P C -0.046 177.274 177.300 0.034 0.000 1.293 549 P CA -0.326 62.782 63.100 0.013 0.000 0.770 549 P CB 0.135 31.832 31.700 -0.005 0.000 1.206 550 T N -2.720 111.854 114.554 0.033 0.000 2.855 550 T HA 0.014 4.363 4.350 -0.001 0.000 0.314 550 T C 1.352 176.077 174.700 0.041 0.000 1.077 550 T CA -0.204 61.918 62.100 0.037 0.000 1.095 550 T CB -0.087 68.798 68.868 0.028 0.000 0.987 550 T HN 0.243 nan 8.240 nan 0.000 0.546 551 M N 1.054 120.675 119.600 0.035 0.000 2.159 551 M HA -0.036 4.443 4.480 -0.001 0.000 0.263 551 M C 1.439 177.752 176.300 0.021 0.000 1.063 551 M CA 1.804 57.121 55.300 0.028 0.000 1.110 551 M CB -1.205 31.403 32.600 0.013 0.000 1.374 551 M HN 0.835 nan 8.290 nan 0.000 0.411 552 D N -1.274 119.134 120.400 0.014 0.000 2.117 552 D HA -0.158 4.482 4.640 -0.001 0.000 0.197 552 D C 1.734 178.041 176.300 0.011 0.000 0.987 552 D CA 1.961 55.960 54.000 -0.002 0.000 0.829 552 D CB -0.269 40.522 40.800 -0.014 0.000 0.961 552 D HN 0.381 nan 8.370 nan 0.000 0.460 553 T N 0.411 115.002 114.554 0.062 0.000 2.737 553 T HA -0.044 4.305 4.350 -0.001 0.000 0.265 553 T C 2.043 176.806 174.700 0.106 0.000 1.038 553 T CA 0.439 62.630 62.100 0.152 0.000 1.144 553 T CB -0.329 68.657 68.868 0.196 0.000 0.866 553 T HN 0.093 nan 8.240 nan 0.000 0.434 554 L N 0.660 121.914 121.223 0.052 0.000 2.021 554 L HA -0.221 4.118 4.340 -0.001 0.000 0.215 554 L C 2.570 179.465 176.870 0.042 0.000 1.074 554 L CA 1.637 56.493 54.840 0.027 0.000 0.760 554 L CB -0.497 41.586 42.059 0.039 0.000 0.889 554 L HN 0.251 nan 8.230 nan 0.000 0.433 555 K N -0.596 119.833 120.400 0.047 0.000 2.365 555 K HA -0.091 4.229 4.320 -0.001 0.000 0.199 555 K C 2.095 178.742 176.600 0.078 0.000 1.045 555 K CA 0.706 57.026 56.287 0.054 0.000 0.962 555 K CB 0.017 32.530 32.500 0.022 0.000 0.759 555 K HN 0.310 nan 8.250 nan 0.000 0.469 556 R N 0.274 120.822 120.500 0.080 0.000 2.210 556 R HA 0.084 4.423 4.340 -0.001 0.000 0.203 556 R C 2.056 178.527 176.300 0.285 0.000 1.010 556 R CA 0.768 56.932 56.100 0.107 0.000 1.008 556 R CB 0.164 30.463 30.300 -0.002 0.000 0.923 556 R HN 0.260 nan 8.270 nan 0.000 0.469 557 M N -2.426 117.287 119.600 0.189 0.000 2.331 557 M HA 0.382 4.861 4.480 -0.001 0.000 0.266 557 M C 0.088 176.233 176.300 -0.259 0.000 1.055 557 M CA 0.478 55.764 55.300 -0.024 0.000 1.048 557 M CB 0.941 33.349 32.600 -0.320 0.000 1.460 557 M HN -0.175 nan 8.290 nan 0.000 0.519 558 M N 1.513 121.067 119.600 -0.077 0.000 2.501 558 M HA 0.430 4.909 4.480 -0.001 0.000 0.293 558 M C -0.264 176.051 176.300 0.024 0.000 1.192 558 M CA -0.703 54.487 55.300 -0.184 0.000 0.886 558 M CB 2.825 35.340 32.600 -0.142 0.000 1.710 558 M HN 0.279 nan 8.290 nan 0.000 0.457 559 S N 1.141 116.804 115.700 -0.061 0.000 2.608 559 S HA 0.477 4.946 4.470 -0.001 0.000 0.261 559 S C 1.121 175.764 174.600 0.071 0.000 1.314 559 S CA -0.068 58.196 58.200 0.106 0.000 0.992 559 S CB 1.081 64.318 63.200 0.061 0.000 0.935 559 S HN 0.802 nan 8.310 nan 0.000 0.564 560 A N 1.405 124.276 122.820 0.084 0.000 1.940 560 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 560 A C 2.508 180.123 177.584 0.051 0.000 1.176 560 A CA 2.116 54.194 52.037 0.068 0.000 0.631 560 A CB -1.640 17.397 19.000 0.063 0.000 0.814 560 A HN 1.336 nan 8.150 nan 0.000 0.446 561 S N -0.294 115.424 115.700 0.029 0.000 2.414 561 S HA -0.130 4.340 4.470 -0.001 0.000 0.227 561 S C 1.640 176.226 174.600 -0.024 0.000 1.022 561 S CA 1.199 59.399 58.200 0.001 0.000 0.958 561 S CB -0.432 62.765 63.200 -0.006 0.000 0.797 561 S HN 0.654 nan 8.310 nan 0.000 0.493 562 E N 1.391 121.576 120.200 -0.025 0.000 2.077 562 E HA -0.048 4.301 4.350 -0.001 0.000 0.193 562 E C 2.041 178.622 176.600 -0.032 0.000 0.989 562 E CA 1.434 57.808 56.400 -0.042 0.000 0.800 562 E CB -0.431 29.233 29.700 -0.060 0.000 0.746 562 E HN 0.514 nan 8.360 nan 0.000 0.452 563 L N 0.771 121.999 121.223 0.008 0.000 2.093 563 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 563 L C 2.191 179.129 176.870 0.115 0.000 1.085 563 L CA 0.980 55.856 54.840 0.060 0.000 0.755 563 L CB -0.222 41.891 42.059 0.092 0.000 0.904 563 L HN 0.086 nan 8.230 nan 0.000 0.435 564 D N -0.501 119.939 120.400 0.067 0.000 2.097 564 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 564 D C 2.093 178.162 176.300 -0.384 0.000 0.984 564 D CA 1.494 55.476 54.000 -0.029 0.000 0.826 564 D CB 0.142 40.936 40.800 -0.010 0.000 0.973 564 D HN 0.112 nan 8.370 nan 0.000 0.460 565 T N 0.189 114.597 114.554 -0.244 0.000 2.788 565 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 565 T C 1.932 176.460 174.700 -0.287 0.000 1.044 565 T CA 1.162 63.101 62.100 -0.267 0.000 1.139 565 T CB -0.301 68.476 68.868 -0.153 0.000 0.867 565 T HN 0.223 nan 8.240 nan 0.000 0.454 566 M N 0.776 120.248 119.600 -0.215 0.000 2.082 566 M HA -0.123 4.356 4.480 -0.001 0.000 0.258 566 M C 2.303 178.308 176.300 -0.491 0.000 1.069 566 M CA 1.925 57.084 55.300 -0.236 0.000 1.102 566 M CB -0.217 32.306 32.600 -0.129 0.000 1.336 566 M HN 0.626 nan 8.290 nan 0.000 0.404 567 W N 0.404 121.318 121.300 -0.643 0.000 2.523 567 W HA 0.012 4.672 4.660 -0.001 0.000 0.278 567 W C 1.378 177.675 176.519 -0.370 0.000 1.236 567 W CA 0.451 57.275 57.345 -0.868 0.000 1.306 567 W CB -0.850 28.249 29.460 -0.601 0.000 1.101 567 W HN 0.148 nan 8.180 nan 0.000 0.577 568 K N 0.643 120.405 120.400 -1.064 0.000 2.103 568 K HA -0.126 4.194 4.320 -0.001 0.000 0.204 568 K C 0.362 176.716 176.600 -0.409 0.000 1.052 568 K CA 1.045 56.794 56.287 -0.897 0.000 0.945 568 K CB -0.215 31.670 32.500 -1.025 0.000 0.722 568 K HN -0.086 nan 8.250 nan 0.000 0.443 569 N N -0.065 118.434 118.700 -0.335 0.000 2.707 569 N HA 0.173 4.913 4.740 -0.001 0.000 0.249 569 N C -2.584 172.851 175.510 -0.125 0.000 1.299 569 N CA -1.881 51.059 53.050 -0.183 0.000 0.769 569 N CB 1.335 39.724 38.487 -0.162 0.000 1.236 569 N HN -0.249 nan 8.380 nan 0.000 0.524 570 P HA -0.046 nan 4.420 nan 0.000 0.221 570 P C 0.779 178.102 177.300 0.037 0.000 1.145 570 P CA 0.989 64.104 63.100 0.025 0.000 0.795 570 P CB 0.408 32.201 31.700 0.155 0.000 0.775 571 S N -0.862 114.846 115.700 0.013 0.000 2.453 571 S HA 0.074 4.544 4.470 -0.001 0.000 0.231 571 S C 1.184 175.782 174.600 -0.004 0.000 1.005 571 S CA 0.390 58.599 58.200 0.014 0.000 0.949 571 S CB -0.689 62.515 63.200 0.008 0.000 0.774 571 S HN 0.188 nan 8.310 nan 0.000 0.510 572 A N 1.915 124.719 122.820 -0.027 0.000 2.483 572 A HA 0.241 4.560 4.320 -0.001 0.000 0.238 572 A C 0.343 177.916 177.584 -0.017 0.000 1.070 572 A CA -0.077 51.941 52.037 -0.031 0.000 0.770 572 A CB 0.127 19.093 19.000 -0.056 0.000 1.008 572 A HN 0.325 nan 8.150 nan 0.000 0.497 573 K N 1.135 121.529 120.400 -0.010 0.000 2.382 573 K HA 0.170 4.489 4.320 -0.001 0.000 0.275 573 K C -0.433 176.173 176.600 0.011 0.000 1.009 573 K CA 0.202 56.490 56.287 0.003 0.000 0.970 573 K CB 0.325 32.834 32.500 0.014 0.000 0.934 573 K HN 0.604 nan 8.250 nan 0.000 0.479 574 Q N 2.579 122.387 119.800 0.013 0.000 2.327 574 Q HA 0.054 4.393 4.340 -0.001 0.000 0.270 574 Q C -0.002 176.040 176.000 0.070 0.000 1.022 574 Q CA -0.307 55.514 55.803 0.030 0.000 0.773 574 Q CB 1.278 30.008 28.738 -0.014 0.000 1.251 574 Q HN 0.649 nan 8.270 nan 0.000 0.457 575 Y N 2.961 123.258 120.300 -0.005 0.000 2.207 575 Y HA -0.208 4.342 4.550 -0.001 0.000 0.287 575 Y C 1.363 177.250 175.900 -0.022 0.000 1.156 575 Y CA 1.997 60.099 58.100 0.004 0.000 1.182 575 Y CB 0.392 38.864 38.460 0.020 0.000 0.979 575 Y HN 0.672 nan 8.280 nan 0.000 0.521 576 H N -0.522 118.495 119.070 -0.088 0.000 2.536 576 H HA 0.084 4.640 4.556 -0.001 0.000 0.276 576 H C 1.697 176.870 175.328 -0.257 0.000 1.019 576 H CA -0.014 55.836 56.048 -0.330 0.000 1.159 576 H CB 0.473 29.889 29.762 -0.577 0.000 1.373 576 H HN 0.265 nan 8.280 nan 0.000 0.584 577 R N 0.517 120.904 120.500 -0.187 0.000 1.909 577 R HA 0.115 4.454 4.340 -0.001 0.000 0.181 577 R C 0.375 176.397 176.300 -0.463 0.000 1.604 577 R CA 0.300 56.117 56.100 -0.473 0.000 1.298 577 R CB 0.142 30.183 30.300 -0.431 0.000 0.937 577 R HN 0.133 nan 8.270 nan 0.000 0.490 578 S N -1.194 114.315 115.700 -0.318 0.000 2.541 578 S HA 0.140 4.610 4.470 -0.001 0.000 0.271 578 S C 0.551 175.103 174.600 -0.081 0.000 1.133 578 S CA -0.119 57.971 58.200 -0.183 0.000 0.876 578 S CB 1.641 64.764 63.200 -0.128 0.000 1.105 578 S HN 0.417 nan 8.310 nan 0.000 0.470 579 S N 2.189 117.852 115.700 -0.060 0.000 2.442 579 S HA 0.004 4.473 4.470 -0.001 0.000 0.236 579 S C 1.064 175.680 174.600 0.026 0.000 1.007 579 S CA 0.862 59.051 58.200 -0.018 0.000 0.965 579 S CB -0.438 62.745 63.200 -0.029 0.000 0.773 579 S HN 0.805 nan 8.310 nan 0.000 0.504 580 S N 1.222 116.963 115.700 0.068 0.000 2.560 580 S HA 0.068 4.538 4.470 -0.001 0.000 0.284 580 S C 0.756 175.356 174.600 0.001 0.000 1.327 580 S CA -0.467 57.778 58.200 0.076 0.000 1.055 580 S CB 0.298 63.619 63.200 0.202 0.000 0.868 580 S HN 0.311 nan 8.310 nan 0.000 0.506 581 D N 3.364 123.747 120.400 -0.029 0.000 2.117 581 D HA -0.075 4.565 4.640 -0.001 0.000 0.197 581 D C 1.905 178.118 176.300 -0.144 0.000 0.987 581 D CA 1.681 55.647 54.000 -0.057 0.000 0.829 581 D CB -0.662 40.118 40.800 -0.033 0.000 0.961 581 D HN 0.713 nan 8.370 nan 0.000 0.460 582 T N 0.280 114.661 114.554 -0.288 0.000 2.759 582 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 582 T C 1.082 175.372 174.700 -0.682 0.000 1.042 582 T CA 0.858 62.581 62.100 -0.628 0.000 1.140 582 T CB -0.219 68.033 68.868 -1.026 0.000 0.864 582 T HN 0.096 nan 8.240 nan 0.000 0.455 583 F N 0.716 120.608 119.950 -0.096 0.000 2.772 583 F HA 0.513 5.040 4.527 -0.001 0.000 0.302 583 F C 1.794 177.499 175.800 -0.158 0.000 1.136 583 F CA -1.451 56.475 58.000 -0.123 0.000 1.322 583 F CB -0.394 38.532 39.000 -0.123 0.000 0.967 583 F HN 0.105 nan 8.300 nan 0.000 0.513 584 G N 0.191 108.984 108.800 -0.011 0.000 2.511 584 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.217 584 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.217 584 G C 0.545 175.429 174.900 -0.027 0.000 1.133 584 G CA 0.404 45.489 45.100 -0.026 0.000 0.792 584 G HN 0.489 nan 8.290 nan 0.000 0.539 585 N N -1.516 117.179 118.700 -0.009 0.000 3.167 585 N HA 0.524 5.263 4.740 -0.001 0.000 0.323 585 N C -0.158 175.377 175.510 0.043 0.000 1.478 585 N CA -0.935 52.119 53.050 0.008 0.000 0.753 585 N CB 0.718 39.214 38.487 0.015 0.000 1.721 585 N HN -0.116 nan 8.380 nan 0.000 0.618 586 L N -1.005 120.268 121.223 0.083 0.000 3.202 586 L HA 0.414 4.753 4.340 -0.001 0.000 0.278 586 L C 1.603 178.616 176.870 0.238 0.000 1.268 586 L CA -0.353 54.592 54.840 0.176 0.000 1.034 586 L CB 0.047 42.235 42.059 0.215 0.000 1.407 586 L HN 0.676 nan 8.230 nan 0.000 0.581 587 K N 1.407 121.901 120.400 0.155 0.000 2.001 587 K HA -0.081 4.239 4.320 -0.001 0.000 0.208 587 K C 1.931 178.621 176.600 0.151 0.000 1.048 587 K CA 1.389 57.753 56.287 0.129 0.000 0.932 587 K CB 0.070 32.615 32.500 0.076 0.000 0.715 587 K HN 0.329 nan 8.250 nan 0.000 0.437 588 L N 0.318 121.638 121.223 0.162 0.000 2.042 588 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 588 L C 2.477 179.476 176.870 0.214 0.000 1.076 588 L CA 1.279 56.225 54.840 0.177 0.000 0.749 588 L CB -0.511 41.633 42.059 0.142 0.000 0.893 588 L HN 0.233 nan 8.230 nan 0.000 0.432 589 F N 0.830 120.859 119.950 0.131 0.000 2.084 589 F HA -0.082 4.444 4.527 -0.001 0.000 0.296 589 F C 2.283 178.098 175.800 0.025 0.000 1.111 589 F CA 1.583 59.630 58.000 0.079 0.000 1.224 589 F CB -0.697 38.402 39.000 0.166 0.000 0.991 589 F HN -0.039 nan 8.300 nan 0.000 0.471 590 G N -0.121 108.799 108.800 0.199 0.000 2.440 590 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.218 590 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.218 590 G C 1.332 176.231 174.900 -0.002 0.000 1.154 590 G CA 1.108 46.305 45.100 0.162 0.000 0.767 590 G HN 0.351 nan 8.290 nan 0.000 0.552 591 D N 1.032 121.428 120.400 -0.007 0.000 2.097 591 D HA -0.046 4.593 4.640 -0.001 0.000 0.195 591 D C 2.806 179.008 176.300 -0.164 0.000 0.989 591 D CA 1.383 55.349 54.000 -0.057 0.000 0.827 591 D CB -0.475 40.328 40.800 0.004 0.000 0.966 591 D HN 0.321 nan 8.370 nan 0.000 0.456 592 A N 0.372 123.076 122.820 -0.193 0.000 1.929 592 A HA -0.071 4.248 4.320 -0.001 0.000 0.216 592 A C 2.141 179.552 177.584 -0.287 0.000 1.176 592 A CA 0.622 52.518 52.037 -0.235 0.000 0.628 592 A CB -0.613 18.063 19.000 -0.540 0.000 0.816 592 A HN 0.173 nan 8.150 nan 0.000 0.444 593 L N -0.127 120.846 121.223 -0.416 0.000 1.989 593 L HA -0.153 4.186 4.340 -0.001 0.000 0.211 593 L C 2.619 179.458 176.870 -0.053 0.000 1.071 593 L CA 2.726 57.398 54.840 -0.280 0.000 0.749 593 L CB -1.012 40.736 42.059 -0.517 0.000 0.890 593 L HN 0.389 nan 8.230 nan 0.000 0.431 594 T N -0.560 113.956 114.554 -0.064 0.000 2.652 594 T HA -0.197 4.153 4.350 -0.001 0.000 0.267 594 T C 1.961 176.616 174.700 -0.074 0.000 1.039 594 T CA 1.430 63.517 62.100 -0.022 0.000 1.153 594 T CB -0.158 68.695 68.868 -0.024 0.000 0.863 594 T HN 0.185 nan 8.240 nan 0.000 0.428 595 K N 0.880 121.160 120.400 -0.200 0.000 2.063 595 K HA -0.018 4.301 4.320 -0.001 0.000 0.208 595 K C 2.484 179.008 176.600 -0.127 0.000 1.048 595 K CA 1.402 57.504 56.287 -0.307 0.000 0.928 595 K CB -0.193 31.784 32.500 -0.872 0.000 0.713 595 K HN 0.369 nan 8.250 nan 0.000 0.442 596 R N -0.881 119.586 120.500 -0.055 0.000 2.074 596 R HA 0.036 4.375 4.340 -0.001 0.000 0.218 596 R C 2.451 178.603 176.300 -0.247 0.000 1.137 596 R CA 0.677 56.740 56.100 -0.062 0.000 0.998 596 R CB -0.489 29.809 30.300 -0.003 0.000 0.895 596 R HN 0.180 nan 8.270 nan 0.000 0.442 597 Y N 1.057 121.363 120.300 0.010 0.000 2.365 597 Y HA -0.081 4.468 4.550 -0.001 0.000 0.287 597 Y C 1.339 177.258 175.900 0.031 0.000 1.162 597 Y CA 0.945 59.053 58.100 0.014 0.000 1.260 597 Y CB -0.515 37.945 38.460 -0.000 0.000 0.976 597 Y HN 0.320 nan 8.280 nan 0.000 0.548 598 G N -0.421 108.449 108.800 0.116 0.000 2.719 598 G HA2 0.133 4.093 3.960 -0.001 0.000 0.686 598 G HA3 0.133 4.093 3.960 -0.001 0.000 0.686 598 G C -0.349 174.612 174.900 0.102 0.000 1.201 598 G CA -1.140 44.015 45.100 0.092 0.000 0.768 598 G HN 0.637 nan 8.290 nan 0.000 0.629 599 A N 1.354 124.223 122.820 0.081 0.000 2.555 599 A HA 0.568 4.888 4.320 -0.001 0.000 0.233 599 A C 1.144 178.811 177.584 0.138 0.000 1.060 599 A CA 1.228 53.330 52.037 0.108 0.000 0.759 599 A CB 0.186 19.241 19.000 0.090 0.000 0.995 599 A HN 1.955 nan 8.150 nan 0.000 0.506 600 S N 1.028 116.853 115.700 0.209 0.000 2.489 600 S HA 0.405 4.875 4.470 -0.001 0.000 0.277 600 S C 1.286 175.980 174.600 0.156 0.000 1.230 600 S CA 0.014 58.336 58.200 0.203 0.000 1.053 600 S CB 1.428 64.858 63.200 0.383 0.000 0.955 600 S HN 1.059 nan 8.310 nan 0.000 0.488 601 A N 3.657 126.474 122.820 -0.005 0.000 2.072 601 A HA 0.182 4.502 4.320 -0.001 0.000 0.216 601 A C 0.650 178.071 177.584 -0.273 0.000 1.156 601 A CA 0.662 52.673 52.037 -0.043 0.000 0.701 601 A CB -0.367 18.597 19.000 -0.060 0.000 0.816 601 A HN 0.900 nan 8.150 nan 0.000 0.458 602 N N -3.947 114.347 118.700 -0.677 0.000 3.261 602 N HA 0.242 4.982 4.740 -0.001 0.000 0.248 602 N C -0.120 174.487 175.510 -1.505 0.000 1.498 602 N CA -0.329 51.908 53.050 -1.356 0.000 0.884 602 N CB 0.092 38.210 38.487 -0.614 0.000 1.428 602 N HN -0.058 nan 8.380 nan 0.000 0.517 603 L N 0.300 120.580 121.223 -1.573 0.000 2.012 603 L HA 0.022 4.362 4.340 -0.001 0.000 0.210 603 L C 1.200 177.879 176.870 -0.317 0.000 1.073 603 L CA 2.089 56.396 54.840 -0.888 0.000 0.748 603 L CB -1.193 40.622 42.059 -0.407 0.000 0.891 603 L HN 0.637 nan 8.230 nan 0.000 0.431 604 N N 0.027 118.553 118.700 -0.289 0.000 2.069 604 N HA -0.221 4.518 4.740 -0.001 0.000 0.191 604 N C 1.662 177.073 175.510 -0.164 0.000 1.031 604 N CA 1.580 54.523 53.050 -0.177 0.000 0.852 604 N CB -0.608 37.770 38.487 -0.182 0.000 1.018 604 N HN 0.484 nan 8.380 nan 0.000 0.423 605 D N -0.221 120.049 120.400 -0.215 0.000 2.123 605 D HA -0.144 4.495 4.640 -0.001 0.000 0.196 605 D C 1.773 178.045 176.300 -0.047 0.000 0.992 605 D CA 0.676 54.578 54.000 -0.162 0.000 0.833 605 D CB -0.289 40.413 40.800 -0.163 0.000 0.954 605 D HN 0.227 nan 8.370 nan 0.000 0.455 606 F N 0.272 120.133 119.950 -0.149 0.000 2.102 606 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 606 F C 2.145 177.964 175.800 0.032 0.000 1.105 606 F CA 1.160 59.157 58.000 -0.005 0.000 1.239 606 F CB -0.303 38.752 39.000 0.091 0.000 0.991 606 F HN -0.125 nan 8.300 nan 0.000 0.474 607 V N 2.555 122.524 119.914 0.093 0.000 2.358 607 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 607 V C 2.688 178.757 176.094 -0.040 0.000 1.047 607 V CA 2.197 64.518 62.300 0.034 0.000 1.035 607 V CB -0.993 30.884 31.823 0.089 0.000 0.658 607 V HN 0.433 nan 8.190 nan 0.000 0.452 608 R N 1.060 121.536 120.500 -0.039 0.000 2.081 608 R HA -0.206 4.134 4.340 -0.001 0.000 0.235 608 R C 2.132 178.462 176.300 0.050 0.000 1.131 608 R CA 1.925 58.034 56.100 0.014 0.000 0.960 608 R CB -0.502 29.755 30.300 -0.071 0.000 0.856 608 R HN 0.415 nan 8.270 nan 0.000 0.436 609 K N 0.683 121.057 120.400 -0.043 0.000 2.057 609 K HA 0.018 4.337 4.320 -0.001 0.000 0.206 609 K C 2.356 178.673 176.600 -0.472 0.000 1.050 609 K CA 1.232 57.344 56.287 -0.292 0.000 0.935 609 K CB -0.192 32.164 32.500 -0.240 0.000 0.715 609 K HN 0.295 nan 8.250 nan 0.000 0.439 610 A N 1.651 124.269 122.820 -0.336 0.000 1.917 610 A HA -0.246 4.074 4.320 -0.001 0.000 0.219 610 A C 2.110 179.687 177.584 -0.012 0.000 1.182 610 A CA 1.537 53.511 52.037 -0.106 0.000 0.633 610 A CB -0.412 18.536 19.000 -0.085 0.000 0.819 610 A HN 0.208 nan 8.150 nan 0.000 0.448 611 Q N -0.166 119.604 119.800 -0.050 0.000 2.084 611 Q HA -0.064 4.276 4.340 -0.001 0.000 0.202 611 Q C 2.225 178.209 176.000 -0.027 0.000 0.978 611 Q CA 1.268 57.090 55.803 0.030 0.000 0.844 611 Q CB -0.649 28.141 28.738 0.086 0.000 0.898 611 Q HN 0.734 nan 8.270 nan 0.000 0.426 612 L N 0.176 121.210 121.223 -0.314 0.000 2.046 612 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 612 L C 2.574 179.577 176.870 0.222 0.000 1.077 612 L CA 1.384 56.038 54.840 -0.309 0.000 0.747 612 L CB -0.650 40.958 42.059 -0.753 0.000 0.896 612 L HN 0.211 nan 8.230 nan 0.000 0.432 613 S N -0.585 115.090 115.700 -0.043 0.000 2.382 613 S HA -0.232 4.237 4.470 -0.001 0.000 0.228 613 S C 1.933 176.785 174.600 0.420 0.000 1.027 613 S CA 1.476 59.831 58.200 0.259 0.000 0.991 613 S CB 0.001 63.236 63.200 0.058 0.000 0.823 613 S HN 0.446 nan 8.310 nan 0.000 0.469 614 Q N -1.131 118.882 119.800 0.356 0.000 2.096 614 Q HA -0.025 4.315 4.340 -0.001 0.000 0.197 614 Q C 1.878 178.084 176.000 0.342 0.000 0.964 614 Q CA 1.561 57.576 55.803 0.353 0.000 0.838 614 Q CB -0.352 28.548 28.738 0.271 0.000 0.906 614 Q HN 0.764 nan 8.270 nan 0.000 0.444 615 Y N 1.816 122.272 120.300 0.261 0.000 2.070 615 Y HA -0.342 4.208 4.550 -0.001 0.000 0.280 615 Y C 2.421 178.473 175.900 0.253 0.000 1.148 615 Y CA 2.090 60.368 58.100 0.296 0.000 1.125 615 Y CB 0.031 38.756 38.460 0.442 0.000 0.975 615 Y HN 0.142 nan 8.280 nan 0.000 0.492 616 E N -0.099 120.464 120.200 0.604 0.000 2.070 616 E HA -0.316 4.033 4.350 -0.001 0.000 0.197 616 E C 2.089 178.840 176.600 0.252 0.000 1.004 616 E CA 1.575 58.162 56.400 0.312 0.000 0.805 616 E CB -0.397 29.497 29.700 0.325 0.000 0.744 616 E HN 0.529 nan 8.360 nan 0.000 0.451 617 N N -0.066 118.817 118.700 0.304 0.000 2.109 617 N HA -0.122 4.618 4.740 -0.001 0.000 0.188 617 N C 2.042 177.649 175.510 0.163 0.000 1.034 617 N CA 1.347 54.574 53.050 0.294 0.000 0.846 617 N CB 0.050 38.765 38.487 0.380 0.000 1.010 617 N HN 0.066 nan 8.380 nan 0.000 0.425 618 V N 1.993 121.979 119.914 0.120 0.000 2.295 618 V HA -0.200 3.919 4.120 -0.001 0.000 0.246 618 V C 2.668 178.760 176.094 -0.004 0.000 1.049 618 V CA 1.585 63.880 62.300 -0.008 0.000 1.024 618 V CB -0.611 31.144 31.823 -0.113 0.000 0.648 618 V HN 0.348 nan 8.190 nan 0.000 0.447 619 R N 0.419 120.903 120.500 -0.026 0.000 2.094 619 R HA -0.241 4.099 4.340 -0.001 0.000 0.239 619 R C 2.284 178.667 176.300 0.139 0.000 1.137 619 R CA 2.096 58.197 56.100 0.001 0.000 0.943 619 R CB -0.536 29.735 30.300 -0.047 0.000 0.850 619 R HN 0.482 nan 8.270 nan 0.000 0.433 620 A N 0.645 123.589 122.820 0.206 0.000 1.933 620 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 620 A C 2.042 179.614 177.584 -0.019 0.000 1.175 620 A CA 1.620 53.847 52.037 0.317 0.000 0.628 620 A CB -0.596 18.675 19.000 0.453 0.000 0.814 620 A HN 0.653 nan 8.150 nan 0.000 0.444 621 E N -1.046 118.904 120.200 -0.417 0.000 2.038 621 E HA -0.218 4.132 4.350 -0.001 0.000 0.195 621 E C 1.678 177.930 176.600 -0.580 0.000 1.000 621 E CA 1.601 57.366 56.400 -1.058 0.000 0.803 621 E CB -0.268 28.498 29.700 -1.557 0.000 0.750 621 E HN 0.593 nan 8.360 nan 0.000 0.448 622 F N 1.241 120.985 119.950 -0.342 0.000 2.113 622 F HA -0.091 4.436 4.527 -0.001 0.000 0.297 622 F C 2.393 178.137 175.800 -0.094 0.000 1.103 622 F CA 1.465 59.319 58.000 -0.242 0.000 1.248 622 F CB -0.171 38.674 39.000 -0.258 0.000 0.999 622 F HN 0.075 nan 8.300 nan 0.000 0.475 623 E N -0.106 120.183 120.200 0.149 0.000 2.077 623 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 623 E C 2.355 179.032 176.600 0.128 0.000 0.989 623 E CA 1.549 58.073 56.400 0.206 0.000 0.800 623 E CB -0.337 29.576 29.700 0.356 0.000 0.746 623 E HN 0.414 nan 8.360 nan 0.000 0.452 624 S N 0.754 116.374 115.700 -0.134 0.000 2.370 624 S HA -0.252 4.218 4.470 -0.001 0.000 0.226 624 S C 1.789 176.290 174.600 -0.164 0.000 1.033 624 S CA 1.580 59.482 58.200 -0.497 0.000 1.011 624 S CB -0.555 62.048 63.200 -0.994 0.000 0.852 624 S HN 0.318 nan 8.310 nan 0.000 0.457 625 H N 1.134 120.109 119.070 -0.159 0.000 2.395 625 H HA 0.232 4.788 4.556 -0.001 0.000 0.299 625 H C 2.587 177.918 175.328 0.005 0.000 1.070 625 H CA 1.384 57.374 56.048 -0.096 0.000 1.356 625 H CB -0.423 29.213 29.762 -0.209 0.000 1.401 625 H HN 0.385 nan 8.280 nan 0.000 0.524 626 S N -0.061 115.726 115.700 0.146 0.000 2.368 626 S HA -0.167 4.302 4.470 -0.001 0.000 0.225 626 S C 2.116 176.833 174.600 0.195 0.000 1.030 626 S CA 1.110 59.400 58.200 0.150 0.000 0.999 626 S CB -0.046 63.237 63.200 0.139 0.000 0.844 626 S HN 0.378 nan 8.310 nan 0.000 0.459 627 R N 1.404 122.009 120.500 0.175 0.000 2.073 627 R HA -0.041 4.299 4.340 -0.001 0.000 0.234 627 R C 0.986 177.377 176.300 0.152 0.000 1.134 627 R CA 1.551 57.755 56.100 0.175 0.000 0.952 627 R CB -0.281 30.148 30.300 0.216 0.000 0.850 627 R HN 0.267 nan 8.270 nan 0.000 0.433 628 N N 0.073 118.849 118.700 0.127 0.000 2.521 628 N HA -0.120 4.619 4.740 -0.001 0.000 0.188 628 N C 0.871 176.465 175.510 0.140 0.000 1.146 628 N CA 0.330 53.442 53.050 0.103 0.000 0.893 628 N CB -0.178 38.342 38.487 0.054 0.000 0.975 628 N HN 0.355 nan 8.380 nan 0.000 0.451 629 Y N 1.654 121.984 120.300 0.050 0.000 2.293 629 Y HA -0.095 4.455 4.550 -0.001 0.000 0.291 629 Y C 1.613 177.549 175.900 0.060 0.000 1.137 629 Y CA 1.302 59.436 58.100 0.057 0.000 1.202 629 Y CB -0.396 38.101 38.460 0.062 0.000 0.990 629 Y HN 0.058 nan 8.280 nan 0.000 0.537 630 T N -1.986 112.488 114.554 -0.133 0.000 3.223 630 T HA 0.180 4.529 4.350 -0.001 0.000 0.259 630 T C -0.184 174.462 174.700 -0.090 0.000 1.015 630 T CA -0.394 61.576 62.100 -0.217 0.000 0.908 630 T CB -0.452 68.332 68.868 -0.141 0.000 1.054 630 T HN -0.002 nan 8.240 nan 0.000 0.567 631 D N 1.862 122.239 120.400 -0.038 0.000 2.424 631 D HA 0.243 4.883 4.640 -0.001 0.000 0.244 631 D C 1.028 177.310 176.300 -0.030 0.000 1.134 631 D CA -0.079 53.912 54.000 -0.015 0.000 0.881 631 D CB 1.485 42.294 40.800 0.016 0.000 1.191 631 D HN 0.076 nan 8.370 nan 0.000 0.445 632 S N 0.361 116.044 115.700 -0.027 0.000 2.383 632 S HA -0.057 4.413 4.470 -0.001 0.000 0.227 632 S C 0.857 175.445 174.600 -0.020 0.000 1.026 632 S CA 0.880 59.063 58.200 -0.028 0.000 0.981 632 S CB 0.223 63.408 63.200 -0.026 0.000 0.818 632 S HN 0.464 nan 8.310 nan 0.000 0.472 633 T N 2.519 117.062 114.554 -0.019 0.000 2.829 633 T HA 0.310 4.660 4.350 -0.001 0.000 0.280 633 T C -0.355 174.341 174.700 -0.008 0.000 0.999 633 T CA -0.694 61.394 62.100 -0.021 0.000 0.983 633 T CB 0.987 69.829 68.868 -0.043 0.000 0.968 633 T HN 0.186 nan 8.240 nan 0.000 0.446 634 N N 2.454 121.162 118.700 0.013 0.000 2.686 634 N HA -0.114 4.625 4.740 -0.001 0.000 0.261 634 N C -2.531 173.057 175.510 0.129 0.000 1.001 634 N CA 0.285 53.380 53.050 0.074 0.000 0.764 634 N CB -0.645 37.838 38.487 -0.007 0.000 0.898 634 N HN 0.448 nan 8.380 nan 0.000 0.544 635 P HA 0.029 nan 4.420 nan 0.000 0.272 635 P C 0.024 177.434 177.300 0.183 0.000 1.230 635 P CA -0.110 63.060 63.100 0.116 0.000 0.788 635 P CB 0.546 32.282 31.700 0.062 0.000 0.949 636 S N 0.009 115.808 115.700 0.166 0.000 2.531 636 S HA 0.213 4.682 4.470 -0.001 0.000 0.279 636 S C 1.092 175.842 174.600 0.250 0.000 1.305 636 S CA 0.039 58.326 58.200 0.146 0.000 1.058 636 S CB -0.299 62.927 63.200 0.042 0.000 0.899 636 S HN 0.664 nan 8.310 nan 0.000 0.493 637 T N -1.128 113.540 114.554 0.189 0.000 2.975 637 T HA 0.535 4.884 4.350 -0.001 0.000 0.261 637 T C 0.606 175.277 174.700 -0.048 0.000 0.984 637 T CA 0.136 62.389 62.100 0.255 0.000 0.911 637 T CB 0.201 69.294 68.868 0.375 0.000 1.127 637 T HN 1.165 nan 8.240 nan 0.000 0.514 638 G N 0.874 109.403 108.800 -0.452 0.000 2.667 638 G HA2 0.555 4.515 3.960 -0.001 0.000 0.294 638 G HA3 0.555 4.515 3.960 -0.001 0.000 0.294 638 G C -2.596 171.777 174.900 -0.878 0.000 1.467 638 G CA -0.793 43.604 45.100 -1.172 0.000 0.852 638 G HN 0.450 nan 8.290 nan 0.000 0.521 639 L N 1.620 122.406 121.223 -0.728 0.000 2.516 639 L HA 0.710 5.050 4.340 -0.001 0.000 0.267 639 L C -1.460 175.155 176.870 -0.426 0.000 0.957 639 L CA -0.828 53.609 54.840 -0.671 0.000 0.860 639 L CB 1.722 43.186 42.059 -0.992 0.000 1.265 639 L HN 0.419 nan 8.230 nan 0.000 0.403 640 I N 5.405 125.800 120.570 -0.291 0.000 2.359 640 I HA 0.195 4.365 4.170 -0.001 0.000 0.284 640 I C -0.493 175.569 176.117 -0.093 0.000 1.018 640 I CA -0.517 60.740 61.300 -0.070 0.000 1.173 640 I CB 0.899 38.944 38.000 0.074 0.000 1.326 640 I HN 0.665 nan 8.210 nan 0.000 0.462 641 Y N 6.274 126.471 120.300 -0.173 0.000 2.610 641 Y HA -0.033 4.517 4.550 -0.001 0.000 0.332 641 Y C -0.130 175.769 175.900 -0.001 0.000 1.201 641 Y CA 0.248 58.244 58.100 -0.173 0.000 1.465 641 Y CB 0.642 39.058 38.460 -0.074 0.000 1.283 641 Y HN 0.545 nan 8.280 nan 0.000 0.563 642 W N 10.478 131.158 121.300 -1.034 0.000 2.295 642 W HA 0.405 5.065 4.660 -0.001 0.000 0.333 642 W C -1.446 174.522 176.519 -0.918 0.000 0.990 642 W CA -0.678 56.137 57.345 -0.883 0.000 1.453 642 W CB 0.593 29.527 29.460 -0.876 0.000 1.263 642 W HN 0.611 nan 8.180 nan 0.000 0.380 643 M N 3.200 122.431 119.600 -0.616 0.000 2.691 643 M HA 0.159 4.639 4.480 -0.001 0.000 0.293 643 M C 0.908 177.090 176.300 -0.196 0.000 1.259 643 M CA -0.862 54.038 55.300 -0.667 0.000 0.827 643 M CB 2.197 34.072 32.600 -1.209 0.000 1.753 643 M HN 0.238 nan 8.290 nan 0.000 0.465 644 L N 1.892 122.978 121.223 -0.228 0.000 2.042 644 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 644 L C 0.489 177.026 176.870 -0.555 0.000 1.076 644 L CA 1.866 56.576 54.840 -0.217 0.000 0.749 644 L CB -0.189 41.807 42.059 -0.105 0.000 0.893 644 L HN 0.888 nan 8.230 nan 0.000 0.432 645 N N -2.869 115.462 118.700 -0.615 0.000 3.020 645 N HA 0.198 4.937 4.740 -0.001 0.000 0.248 645 N C -1.349 173.865 175.510 -0.493 0.000 1.480 645 N CA -0.272 52.339 53.050 -0.732 0.000 0.874 645 N CB 1.202 39.069 38.487 -1.034 0.000 1.433 645 N HN -0.093 nan 8.380 nan 0.000 0.530 646 S N -1.113 114.376 115.700 -0.352 0.000 2.568 646 S HA 0.640 5.109 4.470 -0.001 0.000 0.302 646 S C -2.030 172.457 174.600 -0.189 0.000 1.082 646 S CA -1.712 56.353 58.200 -0.224 0.000 1.009 646 S CB 1.163 64.298 63.200 -0.109 0.000 1.069 646 S HN 0.438 nan 8.310 nan 0.000 0.500 647 P HA 0.098 nan 4.420 nan 0.000 0.226 647 P C -0.217 176.981 177.300 -0.169 0.000 1.153 647 P CA 0.851 63.781 63.100 -0.283 0.000 0.777 647 P CB 0.039 31.313 31.700 -0.710 0.000 0.794 648 W N -1.740 119.267 121.300 -0.489 0.000 3.019 648 W HA 0.386 5.045 4.660 -0.001 0.000 0.412 648 W C -1.269 174.750 176.519 -0.834 0.000 1.087 648 W CA -0.683 56.187 57.345 -0.791 0.000 1.170 648 W CB -0.644 28.493 29.460 -0.538 0.000 1.483 648 W HN -0.351 nan 8.180 nan 0.000 0.606 649 T N 1.299 115.079 114.554 -1.290 0.000 2.799 649 T HA 0.456 4.806 4.350 -0.001 0.000 0.296 649 T C -0.187 173.941 174.700 -0.953 0.000 0.947 649 T CA 0.118 61.610 62.100 -1.014 0.000 1.141 649 T CB 1.086 69.428 68.868 -0.875 0.000 0.891 649 T HN 0.701 nan 8.240 nan 0.000 0.533 650 S N 1.901 117.280 115.700 -0.535 0.000 2.627 650 S HA 0.606 5.075 4.470 -0.001 0.000 0.283 650 S C 0.193 174.679 174.600 -0.191 0.000 1.127 650 S CA -1.018 56.992 58.200 -0.318 0.000 0.863 650 S CB 1.196 64.349 63.200 -0.079 0.000 1.121 650 S HN 0.736 nan 8.310 nan 0.000 0.479 651 L N 2.346 123.482 121.223 -0.146 0.000 2.808 651 L HA 0.416 4.756 4.340 -0.001 0.000 0.246 651 L C 0.371 177.199 176.870 -0.070 0.000 1.153 651 L CA -0.184 54.583 54.840 -0.121 0.000 0.956 651 L CB -0.210 41.768 42.059 -0.134 0.000 1.270 651 L HN 0.789 nan 8.230 nan 0.000 0.528 652 H N -5.903 113.043 119.070 -0.205 0.000 2.990 652 H HA 0.232 4.787 4.556 -0.001 0.000 0.343 652 H C -1.146 174.140 175.328 -0.070 0.000 1.270 652 H CA -1.175 54.731 56.048 -0.236 0.000 1.118 652 H CB 0.860 30.283 29.762 -0.564 0.000 1.861 652 H HN -0.090 nan 8.280 nan 0.000 0.544 653 W N 1.609 122.759 121.300 -0.249 0.000 6.562 653 W HA -0.193 4.466 4.660 -0.001 0.000 0.418 653 W C -0.898 175.425 176.519 -0.328 0.000 1.645 653 W CA 1.197 58.269 57.345 -0.455 0.000 1.086 653 W CB -2.282 26.629 29.460 -0.915 0.000 2.865 653 W HN 0.904 nan 8.180 nan 0.000 1.517 654 Q N -2.128 117.725 119.800 0.088 0.000 2.472 654 Q HA 0.670 5.009 4.340 -0.001 0.000 0.281 654 Q C -0.339 175.687 176.000 0.043 0.000 0.997 654 Q CA -1.088 54.698 55.803 -0.029 0.000 0.828 654 Q CB 1.247 29.921 28.738 -0.106 0.000 1.443 654 Q HN 0.138 nan 8.270 nan 0.000 0.390 655 L N 0.254 121.428 121.223 -0.082 0.000 2.356 655 L HA 0.330 4.670 4.340 -0.001 0.000 0.193 655 L C 0.523 177.503 176.870 0.185 0.000 1.087 655 L CA 0.338 55.148 54.840 -0.051 0.000 0.817 655 L CB 0.257 42.215 42.059 -0.168 0.000 1.035 655 L HN 0.687 nan 8.230 nan 0.000 0.482 656 F N 0.683 120.769 119.950 0.226 0.000 2.443 656 F HA 0.524 5.050 4.527 -0.001 0.000 0.335 656 F C -0.091 175.760 175.800 0.084 0.000 1.104 656 F CA -2.005 56.134 58.000 0.231 0.000 1.013 656 F CB 0.068 39.338 39.000 0.449 0.000 1.136 656 F HN -0.002 nan 8.300 nan 0.000 0.470 657 D N 2.289 122.820 120.400 0.218 0.000 2.411 657 D HA 0.366 5.006 4.640 -0.001 0.000 0.251 657 D C 1.159 177.489 176.300 0.050 0.000 1.201 657 D CA -0.244 53.782 54.000 0.043 0.000 0.996 657 D CB 0.756 41.550 40.800 -0.010 0.000 1.101 657 D HN 0.760 nan 8.370 nan 0.000 0.504 658 A N -0.501 122.187 122.820 -0.221 0.000 2.024 658 A HA -0.183 4.137 4.320 -0.001 0.000 0.220 658 A C 1.464 178.937 177.584 -0.186 0.000 1.164 658 A CA 1.121 52.974 52.037 -0.307 0.000 0.643 658 A CB -1.053 17.495 19.000 -0.754 0.000 0.806 658 A HN 0.610 nan 8.150 nan 0.000 0.451 659 Y N -1.497 118.855 120.300 0.087 0.000 2.466 659 Y HA 0.222 4.771 4.550 -0.001 0.000 0.272 659 Y C 1.066 177.000 175.900 0.056 0.000 1.169 659 Y CA 0.033 58.182 58.100 0.081 0.000 1.285 659 Y CB -0.146 38.349 38.460 0.058 0.000 1.078 659 Y HN 0.238 nan 8.280 nan 0.000 0.523 660 M N -0.892 118.831 119.600 0.204 0.000 2.939 660 M HA -0.242 4.237 4.480 -0.001 0.000 0.202 660 M C -0.605 175.828 176.300 0.222 0.000 0.592 660 M CA 0.548 55.934 55.300 0.143 0.000 0.749 660 M CB -1.863 30.656 32.600 -0.135 0.000 2.692 660 M HN 0.242 nan 8.290 nan 0.000 0.382 661 D N 1.597 122.102 120.400 0.175 0.000 2.358 661 D HA 0.487 5.126 4.640 -0.001 0.000 0.244 661 D C 0.073 176.338 176.300 -0.059 0.000 1.163 661 D CA 0.409 54.447 54.000 0.064 0.000 0.945 661 D CB 0.693 41.538 40.800 0.075 0.000 1.152 661 D HN 0.360 nan 8.370 nan 0.000 0.451 662 Q N 1.293 120.947 119.800 -0.244 0.000 2.309 662 Q HA 0.315 4.655 4.340 -0.001 0.000 0.270 662 Q C -0.364 175.332 176.000 -0.507 0.000 1.023 662 Q CA -0.951 54.500 55.803 -0.588 0.000 0.758 662 Q CB 1.646 29.777 28.738 -1.013 0.000 1.247 662 Q HN 0.442 nan 8.270 nan 0.000 0.455 663 N N 0.492 118.979 118.700 -0.354 0.000 2.879 663 N HA 0.323 5.063 4.740 -0.001 0.000 0.329 663 N C 0.950 176.386 175.510 -0.123 0.000 1.337 663 N CA -0.203 52.745 53.050 -0.171 0.000 0.844 663 N CB -0.239 38.240 38.487 -0.014 0.000 1.236 663 N HN 0.435 nan 8.380 nan 0.000 0.601 664 G N -0.556 108.357 108.800 0.187 0.000 2.440 664 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 664 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 664 G C 1.395 176.482 174.900 0.311 0.000 1.154 664 G CA 1.736 47.099 45.100 0.439 0.000 0.767 664 G HN 0.806 nan 8.290 nan 0.000 0.552 665 A N 0.070 122.981 122.820 0.152 0.000 1.883 665 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 665 A C 2.185 179.720 177.584 -0.081 0.000 1.186 665 A CA 1.771 53.828 52.037 0.032 0.000 0.624 665 A CB -0.819 18.198 19.000 0.029 0.000 0.822 665 A HN 0.461 nan 8.150 nan 0.000 0.444 666 Y N -0.825 119.367 120.300 -0.180 0.000 2.081 666 Y HA -0.330 4.219 4.550 -0.001 0.000 0.280 666 Y C 2.323 178.114 175.900 -0.181 0.000 1.163 666 Y CA 2.490 60.448 58.100 -0.236 0.000 1.135 666 Y CB -0.434 37.822 38.460 -0.340 0.000 0.970 666 Y HN 0.408 nan 8.280 nan 0.000 0.498 667 Y N -0.564 119.837 120.300 0.169 0.000 2.242 667 Y HA -0.048 4.502 4.550 -0.001 0.000 0.291 667 Y C 2.605 178.318 175.900 -0.313 0.000 1.137 667 Y CA 0.834 58.983 58.100 0.081 0.000 1.181 667 Y CB -1.306 37.344 38.460 0.317 0.000 0.989 667 Y HN 0.192 nan 8.280 nan 0.000 0.527 668 G N -0.568 107.981 108.800 -0.419 0.000 2.402 668 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.216 668 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.216 668 G C 1.952 176.534 174.900 -0.530 0.000 1.162 668 G CA 0.939 45.479 45.100 -0.932 0.000 0.777 668 G HN 0.451 nan 8.290 nan 0.000 0.539 669 A N 0.835 123.374 122.820 -0.469 0.000 1.902 669 A HA -0.021 4.298 4.320 -0.001 0.000 0.217 669 A C 2.200 179.408 177.584 -0.628 0.000 1.181 669 A CA 2.148 53.800 52.037 -0.641 0.000 0.623 669 A CB -0.438 18.108 19.000 -0.756 0.000 0.818 669 A HN 0.406 nan 8.150 nan 0.000 0.443 670 K N -0.287 119.819 120.400 -0.489 0.000 2.057 670 K HA -0.237 4.082 4.320 -0.001 0.000 0.207 670 K C 2.133 178.573 176.600 -0.265 0.000 1.049 670 K CA 1.881 57.958 56.287 -0.349 0.000 0.931 670 K CB -0.131 32.259 32.500 -0.185 0.000 0.714 670 K HN 0.252 nan 8.250 nan 0.000 0.440 671 K N 0.954 121.215 120.400 -0.231 0.000 2.009 671 K HA -0.086 4.234 4.320 -0.001 0.000 0.210 671 K C 1.805 178.204 176.600 -0.336 0.000 1.049 671 K CA 1.886 58.090 56.287 -0.138 0.000 0.929 671 K CB -0.761 31.692 32.500 -0.077 0.000 0.714 671 K HN 0.236 nan 8.250 nan 0.000 0.440 672 A N 0.728 123.311 122.820 -0.394 0.000 1.978 672 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 672 A C 1.463 178.660 177.584 -0.645 0.000 1.170 672 A CA 1.835 53.585 52.037 -0.478 0.000 0.636 672 A CB -0.473 18.407 19.000 -0.199 0.000 0.810 672 A HN 0.490 nan 8.150 nan 0.000 0.448 673 N N 0.640 119.020 118.700 -0.534 0.000 2.251 673 N HA 0.038 4.777 4.740 -0.001 0.000 0.217 673 N C -0.195 175.136 175.510 -0.298 0.000 1.124 673 N CA 0.092 52.895 53.050 -0.412 0.000 0.843 673 N CB 0.250 38.453 38.487 -0.474 0.000 1.024 673 N HN 0.829 nan 8.380 nan 0.000 0.501 674 E N 1.499 121.511 120.200 -0.313 0.000 2.383 674 E HA 0.114 4.464 4.350 -0.001 0.000 0.264 674 E C -1.718 174.860 176.600 -0.037 0.000 1.050 674 E CA -1.309 55.022 56.400 -0.114 0.000 0.896 674 E CB 1.018 30.715 29.700 -0.005 0.000 0.982 674 E HN -0.055 nan 8.360 nan 0.000 0.424 675 P HA -0.058 nan 4.420 nan 0.000 0.221 675 P C 0.039 177.365 177.300 0.042 0.000 1.150 675 P CA 0.704 63.805 63.100 0.001 0.000 0.800 675 P CB 0.252 31.946 31.700 -0.010 0.000 0.787 676 L N -0.251 121.015 121.223 0.072 0.000 2.372 676 L HA 0.460 4.800 4.340 -0.001 0.000 0.273 676 L C -0.966 175.994 176.870 0.150 0.000 0.989 676 L CA -0.851 54.043 54.840 0.091 0.000 0.841 676 L CB 1.236 43.329 42.059 0.057 0.000 1.225 676 L HN -0.068 nan 8.230 nan 0.000 0.414 677 H N 3.593 122.689 119.070 0.043 0.000 2.679 677 H HA 0.640 5.195 4.556 -0.001 0.000 0.360 677 H C -1.446 173.930 175.328 0.081 0.000 1.105 677 H CA -0.483 55.601 56.048 0.059 0.000 1.196 677 H CB 1.806 31.601 29.762 0.055 0.000 1.636 677 H HN 0.564 nan 8.280 nan 0.000 0.531 678 I N 4.764 125.057 120.570 -0.462 0.000 2.441 678 I HA 0.360 4.529 4.170 -0.001 0.000 0.295 678 I C -1.245 174.615 176.117 -0.429 0.000 0.994 678 I CA -0.403 60.714 61.300 -0.306 0.000 1.144 678 I CB 1.036 38.974 38.000 -0.103 0.000 1.314 678 I HN 0.817 nan 8.210 nan 0.000 0.445 679 Q N 6.023 125.762 119.800 -0.102 0.000 2.462 679 Q HA 0.344 4.683 4.340 -0.001 0.000 0.285 679 Q C -2.046 173.995 176.000 0.069 0.000 1.035 679 Q CA -0.920 54.960 55.803 0.127 0.000 0.799 679 Q CB 2.385 31.292 28.738 0.281 0.000 1.452 679 Q HN 0.655 nan 8.270 nan 0.000 0.404 680 Y N 0.673 120.816 120.300 -0.262 0.000 2.364 680 Y HA 0.503 5.052 4.550 -0.001 0.000 0.340 680 Y C -1.144 174.451 175.900 -0.509 0.000 0.975 680 Y CA -0.533 57.222 58.100 -0.575 0.000 1.089 680 Y CB 2.303 40.022 38.460 -1.234 0.000 1.192 680 Y HN 0.735 nan 8.280 nan 0.000 0.454 681 S N 5.318 120.439 115.700 -0.965 0.000 2.439 681 S HA 0.095 4.565 4.470 -0.001 0.000 0.282 681 S C 0.374 174.287 174.600 -1.145 0.000 1.170 681 S CA -0.399 57.247 58.200 -0.924 0.000 1.054 681 S CB 0.216 63.010 63.200 -0.677 0.000 0.956 681 S HN 0.881 nan 8.310 nan 0.000 0.490 682 H N 1.888 120.447 119.070 -0.852 0.000 2.491 682 H HA -0.098 4.458 4.556 -0.001 0.000 0.290 682 H C 1.819 176.935 175.328 -0.353 0.000 1.050 682 H CA 1.682 57.513 56.048 -0.362 0.000 1.309 682 H CB 0.223 29.993 29.762 0.013 0.000 1.392 682 H HN 0.653 nan 8.280 nan 0.000 0.554 683 D N 0.140 120.261 120.400 -0.464 0.000 2.144 683 D HA -0.121 4.518 4.640 -0.001 0.000 0.207 683 D C 1.239 177.419 176.300 -0.201 0.000 0.970 683 D CA 1.245 55.117 54.000 -0.213 0.000 0.853 683 D CB -0.414 40.314 40.800 -0.119 0.000 1.007 683 D HN 0.485 nan 8.370 nan 0.000 0.469 684 N N -0.696 117.823 118.700 -0.301 0.000 2.170 684 N HA 0.088 4.828 4.740 -0.001 0.000 0.222 684 N C -0.118 175.216 175.510 -0.294 0.000 1.218 684 N CA -0.324 52.589 53.050 -0.229 0.000 0.889 684 N CB 0.091 38.476 38.487 -0.171 0.000 1.083 684 N HN 0.116 nan 8.380 nan 0.000 0.520 685 R N -0.487 119.713 120.500 -0.499 0.000 3.875 685 R HA -0.168 4.171 4.340 -0.001 0.000 0.321 685 R C -0.628 175.357 176.300 -0.526 0.000 1.196 685 R CA 0.947 56.649 56.100 -0.665 0.000 0.868 685 R CB -2.984 27.185 30.300 -0.218 0.000 1.333 685 R HN 0.573 nan 8.270 nan 0.000 0.522 686 S N -0.334 115.098 115.700 -0.447 0.000 2.549 686 S HA 0.416 4.886 4.470 -0.001 0.000 0.279 686 S C 0.566 174.994 174.600 -0.285 0.000 1.321 686 S CA -0.809 57.225 58.200 -0.275 0.000 1.054 686 S CB 1.984 65.075 63.200 -0.182 0.000 0.899 686 S HN 0.126 nan 8.310 nan 0.000 0.497 687 V N 4.032 123.868 119.914 -0.130 0.000 2.370 687 V HA 0.452 4.571 4.120 -0.001 0.000 0.279 687 V C -0.175 175.901 176.094 -0.029 0.000 1.029 687 V CA -0.575 61.691 62.300 -0.056 0.000 0.870 687 V CB 1.073 32.908 31.823 0.021 0.000 0.984 687 V HN 0.840 nan 8.190 nan 0.000 0.451 688 V N 5.704 125.611 119.914 -0.011 0.000 2.604 688 V HA 0.499 4.618 4.120 -0.001 0.000 0.305 688 V C -0.267 175.848 176.094 0.035 0.000 1.043 688 V CA -0.653 61.659 62.300 0.020 0.000 0.888 688 V CB 2.334 34.183 31.823 0.044 0.000 0.995 688 V HN 0.586 nan 8.190 nan 0.000 0.429 689 V N 5.580 125.519 119.914 0.041 0.000 2.427 689 V HA 0.522 4.641 4.120 -0.001 0.000 0.286 689 V C -0.296 175.848 176.094 0.085 0.000 1.034 689 V CA -0.508 61.822 62.300 0.049 0.000 0.893 689 V CB 1.659 33.503 31.823 0.034 0.000 0.982 689 V HN 0.563 nan 8.190 nan 0.000 0.452 690 I N 3.959 124.601 120.570 0.121 0.000 2.433 690 I HA 0.416 4.586 4.170 -0.001 0.000 0.292 690 I C -0.302 175.886 176.117 0.119 0.000 1.001 690 I CA -0.564 60.819 61.300 0.139 0.000 1.119 690 I CB 1.763 39.873 38.000 0.183 0.000 1.289 690 I HN 0.615 nan 8.210 nan 0.000 0.438 691 N N 5.562 124.320 118.700 0.096 0.000 2.511 691 N HA 0.206 4.945 4.740 -0.001 0.000 0.249 691 N C 0.529 176.079 175.510 0.066 0.000 0.971 691 N CA -0.281 52.813 53.050 0.073 0.000 0.938 691 N CB 1.229 39.750 38.487 0.057 0.000 1.131 691 N HN 0.325 nan 8.380 nan 0.000 0.505 692 Q N 0.594 120.421 119.800 0.046 0.000 2.432 692 Q HA 0.013 4.352 4.340 -0.001 0.000 0.205 692 Q C 0.567 176.572 176.000 0.008 0.000 0.945 692 Q CA 0.438 56.253 55.803 0.020 0.000 0.924 692 Q CB -0.332 28.399 28.738 -0.010 0.000 1.016 692 Q HN 0.790 nan 8.270 nan 0.000 0.503 693 T N -1.523 113.035 114.554 0.006 0.000 2.788 693 T HA 0.146 4.495 4.350 -0.001 0.000 0.287 693 T C 1.313 176.002 174.700 -0.019 0.000 1.007 693 T CA 0.068 62.158 62.100 -0.016 0.000 1.005 693 T CB 1.076 69.933 68.868 -0.019 0.000 1.012 693 T HN 0.130 nan 8.240 nan 0.000 0.530 694 S N 0.257 115.926 115.700 -0.053 0.000 2.603 694 S HA 0.106 4.575 4.470 -0.001 0.000 0.220 694 S C 0.400 174.966 174.600 -0.056 0.000 0.967 694 S CA -0.530 57.628 58.200 -0.070 0.000 0.920 694 S CB -0.601 62.506 63.200 -0.154 0.000 0.773 694 S HN 0.703 nan 8.310 nan 0.000 0.529 695 N N 1.258 119.935 118.700 -0.038 0.000 2.238 695 N HA 0.560 5.299 4.740 -0.001 0.000 0.302 695 N C -0.801 174.705 175.510 -0.006 0.000 1.072 695 N CA -0.375 52.659 53.050 -0.027 0.000 0.792 695 N CB 1.944 40.410 38.487 -0.035 0.000 1.425 695 N HN 0.260 nan 8.380 nan 0.000 0.478 696 A N 1.036 123.857 122.820 0.001 0.000 2.483 696 A HA 0.360 4.679 4.320 -0.001 0.000 0.238 696 A C 0.063 177.651 177.584 0.006 0.000 1.070 696 A CA 0.062 52.104 52.037 0.009 0.000 0.770 696 A CB 0.231 19.237 19.000 0.010 0.000 1.008 696 A HN 0.406 nan 8.150 nan 0.000 0.497 697 V N 1.694 121.614 119.914 0.011 0.000 2.735 697 V HA 0.642 4.762 4.120 -0.001 0.000 0.310 697 V C 0.222 176.322 176.094 0.010 0.000 1.061 697 V CA -0.371 61.934 62.300 0.009 0.000 0.913 697 V CB 2.146 33.977 31.823 0.012 0.000 1.005 697 V HN 0.979 nan 8.190 nan 0.000 0.428 698 S N 1.245 116.949 115.700 0.007 0.000 2.599 698 S HA 0.749 5.218 4.470 -0.001 0.000 0.287 698 S C 0.576 175.179 174.600 0.004 0.000 1.105 698 S CA 0.184 58.388 58.200 0.006 0.000 0.899 698 S CB 1.733 64.935 63.200 0.003 0.000 1.100 698 S HN 1.761 nan 8.310 nan 0.000 0.482 699 G N 1.196 109.998 108.800 0.004 0.000 2.221 699 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.265 699 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.265 699 G C -0.227 174.675 174.900 0.003 0.000 1.041 699 G CA 0.124 45.225 45.100 0.002 0.000 0.807 699 G HN 0.512 nan 8.290 nan 0.000 0.502 700 L N 0.533 121.759 121.223 0.005 0.000 2.349 700 L HA 0.567 4.906 4.340 -0.001 0.000 0.275 700 L C 1.072 177.944 176.870 0.003 0.000 1.115 700 L CA 0.105 54.949 54.840 0.006 0.000 0.820 700 L CB 1.527 43.592 42.059 0.011 0.000 1.135 700 L HN 0.273 nan 8.230 nan 0.000 0.445 701 T N 2.128 116.683 114.554 0.001 0.000 2.771 701 T HA 0.673 5.022 4.350 -0.001 0.000 0.281 701 T C -0.376 174.323 174.700 -0.002 0.000 0.982 701 T CA -0.613 61.485 62.100 -0.003 0.000 0.978 701 T CB 1.152 70.015 68.868 -0.008 0.000 0.930 701 T HN 0.665 nan 8.240 nan 0.000 0.447 702 A N 4.266 127.084 122.820 -0.002 0.000 2.271 702 A HA 0.655 4.974 4.320 -0.001 0.000 0.317 702 A C 0.212 177.793 177.584 -0.006 0.000 1.245 702 A CA -0.646 51.392 52.037 0.000 0.000 0.857 702 A CB 0.626 19.630 19.000 0.006 0.000 1.175 702 A HN 0.846 nan 8.150 nan 0.000 0.512 703 T N 2.088 116.637 114.554 -0.009 0.000 2.786 703 T HA 0.555 4.904 4.350 -0.001 0.000 0.283 703 T C -0.079 174.613 174.700 -0.012 0.000 0.992 703 T CA -0.235 61.850 62.100 -0.025 0.000 0.954 703 T CB 1.216 70.061 68.868 -0.039 0.000 0.934 703 T HN 0.806 nan 8.240 nan 0.000 0.440 704 T N 2.995 117.546 114.554 -0.004 0.000 2.792 704 T HA 0.626 4.976 4.350 -0.001 0.000 0.280 704 T C -1.034 173.674 174.700 0.012 0.000 0.990 704 T CA -0.800 61.327 62.100 0.045 0.000 0.960 704 T CB 0.518 69.461 68.868 0.126 0.000 0.939 704 T HN 0.467 nan 8.240 nan 0.000 0.439 705 K N 4.234 124.634 120.400 -0.001 0.000 2.443 705 K HA 0.539 4.858 4.320 -0.001 0.000 0.252 705 K C -0.892 175.662 176.600 -0.077 0.000 0.933 705 K CA -0.803 55.410 56.287 -0.122 0.000 0.792 705 K CB 2.311 34.651 32.500 -0.267 0.000 1.185 705 K HN 0.541 nan 8.250 nan 0.000 0.425 706 L N 3.355 124.523 121.223 -0.092 0.000 2.322 706 L HA 0.519 4.858 4.340 -0.001 0.000 0.279 706 L C -0.973 175.757 176.870 -0.234 0.000 1.036 706 L CA -0.926 53.913 54.840 -0.003 0.000 0.807 706 L CB 0.572 42.662 42.059 0.052 0.000 1.226 706 L HN 0.544 nan 8.230 nan 0.000 0.433 707 Y N 0.741 121.172 120.300 0.217 0.000 2.442 707 Y HA 0.337 4.887 4.550 -0.001 0.000 0.344 707 Y C 0.236 176.257 175.900 0.203 0.000 0.976 707 Y CA -1.074 57.156 58.100 0.217 0.000 1.040 707 Y CB 1.560 40.221 38.460 0.335 0.000 1.228 707 Y HN 0.503 nan 8.280 nan 0.000 0.451 708 N N 1.523 120.390 118.700 0.279 0.000 2.399 708 N HA 0.177 4.916 4.740 -0.001 0.000 0.250 708 N C 0.916 176.540 175.510 0.189 0.000 1.272 708 N CA -0.116 53.057 53.050 0.204 0.000 0.928 708 N CB 0.731 39.293 38.487 0.124 0.000 1.158 708 N HN 0.723 nan 8.380 nan 0.000 0.463 709 L N 0.246 121.539 121.223 0.117 0.000 2.456 709 L HA -0.113 4.227 4.340 -0.001 0.000 0.224 709 L C 1.076 177.969 176.870 0.039 0.000 1.148 709 L CA 0.797 55.666 54.840 0.049 0.000 0.825 709 L CB -0.409 41.660 42.059 0.018 0.000 0.937 709 L HN 0.568 nan 8.230 nan 0.000 0.450 710 D N -0.694 119.747 120.400 0.067 0.000 2.340 710 D HA 0.009 4.648 4.640 -0.001 0.000 0.220 710 D C 1.447 177.791 176.300 0.075 0.000 1.039 710 D CA 0.823 54.856 54.000 0.055 0.000 0.866 710 D CB 0.285 41.118 40.800 0.055 0.000 0.913 710 D HN 0.215 nan 8.370 nan 0.000 0.523 711 G N -0.450 108.424 108.800 0.124 0.000 2.176 711 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.232 711 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.232 711 G C 0.310 175.409 174.900 0.332 0.000 0.986 711 G CA 0.180 45.388 45.100 0.179 0.000 0.643 711 G HN 0.427 nan 8.290 nan 0.000 0.522 712 T N 1.492 116.199 114.554 0.256 0.000 2.799 712 T HA 0.398 4.748 4.350 -0.001 0.000 0.296 712 T C 0.352 175.195 174.700 0.238 0.000 0.947 712 T CA 0.230 62.459 62.100 0.214 0.000 1.141 712 T CB 1.645 70.583 68.868 0.117 0.000 0.891 712 T HN 0.429 nan 8.240 nan 0.000 0.533 713 E N 2.349 122.644 120.200 0.158 0.000 2.344 713 E HA 0.050 4.399 4.350 -0.001 0.000 0.270 713 E C 0.481 177.017 176.600 -0.106 0.000 1.021 713 E CA -0.322 55.976 56.400 -0.170 0.000 0.887 713 E CB 0.381 29.937 29.700 -0.240 0.000 0.997 713 E HN 0.391 nan 8.360 nan 0.000 0.429 714 K N 3.289 123.608 120.400 -0.135 0.000 2.450 714 K HA 0.076 4.395 4.320 -0.001 0.000 0.206 714 K C -0.810 175.800 176.600 0.016 0.000 1.148 714 K CA -0.058 56.199 56.287 -0.051 0.000 1.014 714 K CB 0.832 33.299 32.500 -0.055 0.000 0.966 714 K HN 0.539 nan 8.250 nan 0.000 0.566 715 Y N -0.386 119.796 120.300 -0.197 0.000 2.521 715 Y HA 0.401 4.951 4.550 -0.001 0.000 0.328 715 Y C -1.741 174.051 175.900 -0.180 0.000 1.151 715 Y CA -0.831 57.175 58.100 -0.158 0.000 1.054 715 Y CB 1.844 40.225 38.460 -0.132 0.000 1.338 715 Y HN -0.161 nan 8.280 nan 0.000 0.453 716 S N 4.386 119.565 115.700 -0.868 0.000 2.548 716 S HA 0.622 5.091 4.470 -0.001 0.000 0.276 716 S C -2.101 172.001 174.600 -0.830 0.000 1.129 716 S CA -0.586 57.205 58.200 -0.683 0.000 0.931 716 S CB 1.157 64.139 63.200 -0.363 0.000 1.068 716 S HN 0.788 nan 8.310 nan 0.000 0.480 717 N N 1.388 119.769 118.700 -0.532 0.000 2.336 717 N HA 0.581 5.320 4.740 -0.001 0.000 0.290 717 N C -1.816 173.609 175.510 -0.143 0.000 1.058 717 N CA -0.255 52.612 53.050 -0.304 0.000 0.865 717 N CB 2.137 40.533 38.487 -0.151 0.000 1.581 717 N HN 0.428 nan 8.380 nan 0.000 0.480 718 T N 2.124 116.614 114.554 -0.105 0.000 2.847 718 T HA 0.354 4.703 4.350 -0.001 0.000 0.291 718 T C -0.953 173.722 174.700 -0.041 0.000 0.998 718 T CA -0.451 61.610 62.100 -0.065 0.000 0.967 718 T CB 0.874 69.702 68.868 -0.067 0.000 0.954 718 T HN 0.382 nan 8.240 nan 0.000 0.441 719 K N 3.208 123.593 120.400 -0.024 0.000 2.425 719 K HA 0.540 4.859 4.320 -0.001 0.000 0.259 719 K C 0.143 176.737 176.600 -0.011 0.000 0.978 719 K CA -0.476 55.802 56.287 -0.014 0.000 0.883 719 K CB 0.550 33.048 32.500 -0.003 0.000 1.110 719 K HN 0.690 nan 8.250 nan 0.000 0.436 720 T N 0.168 114.715 114.554 -0.012 0.000 2.936 720 T HA 0.586 4.935 4.350 -0.001 0.000 0.282 720 T C 0.760 175.457 174.700 -0.005 0.000 1.003 720 T CA -0.214 61.880 62.100 -0.009 0.000 1.005 720 T CB 1.360 70.221 68.868 -0.011 0.000 1.097 720 T HN 0.976 nan 8.240 nan 0.000 0.532 721 G N 0.597 109.395 108.800 -0.004 0.000 2.273 721 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.280 721 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.280 721 G C -0.146 174.755 174.900 0.001 0.000 1.047 721 G CA 0.247 45.346 45.100 -0.002 0.000 0.869 721 G HN 0.872 nan 8.290 nan 0.000 0.502 722 L N 0.474 121.698 121.223 0.003 0.000 2.326 722 L HA 0.556 4.896 4.340 -0.001 0.000 0.278 722 L C 0.644 177.519 176.870 0.009 0.000 1.092 722 L CA -0.370 54.473 54.840 0.006 0.000 0.810 722 L CB 1.672 43.736 42.059 0.009 0.000 1.153 722 L HN 0.154 nan 8.230 nan 0.000 0.439 723 S N 1.989 117.695 115.700 0.010 0.000 2.472 723 S HA 0.642 5.112 4.470 -0.001 0.000 0.303 723 S C -0.870 173.741 174.600 0.018 0.000 1.099 723 S CA -0.535 57.672 58.200 0.012 0.000 1.077 723 S CB 2.181 65.387 63.200 0.010 0.000 1.031 723 S HN 0.370 nan 8.310 nan 0.000 0.487 724 V N 3.136 123.063 119.914 0.022 0.000 2.686 724 V HA 0.810 4.929 4.120 -0.001 0.000 0.306 724 V C 0.413 176.527 176.094 0.032 0.000 1.065 724 V CA -0.356 61.963 62.300 0.031 0.000 0.894 724 V CB 1.473 33.320 31.823 0.040 0.000 1.004 724 V HN 0.939 nan 8.190 nan 0.000 0.424 725 G N 4.034 112.856 108.800 0.037 0.000 2.684 725 G HA2 0.570 4.529 3.960 -0.001 0.000 0.255 725 G HA3 0.570 4.529 3.960 -0.001 0.000 0.255 725 G C 0.236 175.166 174.900 0.050 0.000 1.219 725 G CA 0.028 45.151 45.100 0.038 0.000 0.901 725 G HN 1.566 nan 8.290 nan 0.000 0.548 726 A N -0.944 121.905 122.820 0.048 0.000 2.313 726 A HA 0.575 4.894 4.320 -0.001 0.000 0.261 726 A C 0.914 178.550 177.584 0.087 0.000 1.090 726 A CA -0.328 51.739 52.037 0.051 0.000 0.807 726 A CB 0.019 19.038 19.000 0.031 0.000 1.055 726 A HN 1.504 nan 8.150 nan 0.000 0.492 727 L N -0.185 121.087 121.223 0.081 0.000 3.597 727 L HA -0.283 4.056 4.340 -0.001 0.000 0.440 727 L C 1.116 178.096 176.870 0.183 0.000 1.277 727 L CA 0.677 55.583 54.840 0.109 0.000 0.852 727 L CB -2.083 40.052 42.059 0.126 0.000 1.708 727 L HN 1.962 nan 8.230 nan 0.000 0.885 728 G N -2.204 106.693 108.800 0.162 0.000 2.184 728 G HA2 0.015 3.974 3.960 -0.001 0.000 0.206 728 G HA3 0.015 3.974 3.960 -0.001 0.000 0.206 728 G C 0.411 175.490 174.900 0.299 0.000 0.995 728 G CA -0.049 45.193 45.100 0.237 0.000 0.651 728 G HN 1.274 nan 8.290 nan 0.000 0.511 729 A N 0.133 123.070 122.820 0.195 0.000 2.386 729 A HA 0.695 5.014 4.320 -0.001 0.000 0.246 729 A C 0.615 178.267 177.584 0.112 0.000 1.089 729 A CA 1.112 53.225 52.037 0.127 0.000 0.790 729 A CB 0.364 19.413 19.000 0.080 0.000 1.042 729 A HN 1.375 nan 8.150 nan 0.000 0.497 730 K N -0.821 119.629 120.400 0.083 0.000 2.466 730 K HA 0.829 5.149 4.320 -0.001 0.000 0.260 730 K C -0.965 175.665 176.600 0.051 0.000 1.011 730 K CA -0.514 55.820 56.287 0.078 0.000 0.871 730 K CB 2.205 34.758 32.500 0.088 0.000 1.404 730 K HN 1.061 nan 8.250 nan 0.000 0.450 731 A N 0.773 123.619 122.820 0.045 0.000 2.449 731 A HA 0.548 4.867 4.320 -0.001 0.000 0.302 731 A C -1.124 176.473 177.584 0.023 0.000 1.048 731 A CA -0.794 51.260 52.037 0.028 0.000 0.708 731 A CB 1.931 20.945 19.000 0.024 0.000 1.274 731 A HN 0.607 nan 8.150 nan 0.000 0.410 732 T N 2.085 116.647 114.554 0.012 0.000 2.743 732 T HA 0.482 4.832 4.350 -0.001 0.000 0.293 732 T C 1.338 176.039 174.700 0.002 0.000 0.945 732 T CA 0.379 62.480 62.100 0.002 0.000 1.030 732 T CB 1.430 70.294 68.868 -0.008 0.000 0.912 732 T HN 0.964 nan 8.240 nan 0.000 0.483 733 A N 4.057 126.878 122.820 0.003 0.000 1.850 733 A HA 0.466 4.785 4.320 -0.001 0.000 0.212 733 A C 0.856 178.446 177.584 0.010 0.000 1.208 733 A CA 0.653 52.694 52.037 0.008 0.000 0.609 733 A CB 0.086 19.094 19.000 0.013 0.000 0.860 733 A HN 0.597 nan 8.150 nan 0.000 0.448 734 V N -1.697 118.224 119.914 0.012 0.000 3.178 734 V HA 0.477 4.597 4.120 -0.001 0.000 0.302 734 V C -1.275 174.814 176.094 -0.008 0.000 1.262 734 V CA -0.520 61.793 62.300 0.021 0.000 1.030 734 V CB 2.252 34.119 31.823 0.074 0.000 1.074 734 V HN 0.264 nan 8.190 nan 0.000 0.438 735 T N 3.486 118.028 114.554 -0.020 0.000 2.733 735 T HA 0.445 4.794 4.350 -0.001 0.000 0.294 735 T C -0.323 174.339 174.700 -0.062 0.000 0.956 735 T CA -0.161 61.902 62.100 -0.062 0.000 0.987 735 T CB 1.030 69.855 68.868 -0.072 0.000 0.920 735 T HN 0.558 nan 8.240 nan 0.000 0.470 736 V N 8.077 127.934 119.914 -0.095 0.000 2.529 736 V HA 0.149 4.268 4.120 -0.001 0.000 0.292 736 V C -1.409 174.539 176.094 -0.243 0.000 1.028 736 V CA -1.283 60.880 62.300 -0.228 0.000 1.074 736 V CB -0.132 31.580 31.823 -0.185 0.000 0.958 736 V HN 0.720 nan 8.190 nan 0.000 0.481 737 P HA 0.275 nan 4.420 nan 0.000 0.274 737 P C -0.525 176.652 177.300 -0.205 0.000 1.256 737 P CA -0.507 62.478 63.100 -0.192 0.000 0.795 737 P CB 0.740 32.359 31.700 -0.134 0.000 1.038 738 A N 1.026 123.769 122.820 -0.129 0.000 2.492 738 A HA 0.308 4.627 4.320 -0.001 0.000 0.254 738 A C 0.082 177.581 177.584 -0.140 0.000 1.091 738 A CA -0.071 51.896 52.037 -0.117 0.000 0.768 738 A CB -0.615 18.341 19.000 -0.072 0.000 1.028 738 A HN 0.330 nan 8.150 nan 0.000 0.498 739 V N 3.639 123.444 119.914 -0.183 0.000 2.435 739 V HA 0.414 4.534 4.120 -0.001 0.000 0.290 739 V C 0.820 176.831 176.094 -0.139 0.000 1.030 739 V CA -0.101 62.099 62.300 -0.167 0.000 0.881 739 V CB 1.587 33.276 31.823 -0.223 0.000 0.983 739 V HN 1.105 nan 8.190 nan 0.000 0.445 740 S N 3.703 119.351 115.700 -0.088 0.000 2.576 740 S HA 0.529 4.999 4.470 -0.001 0.000 0.276 740 S C 1.139 175.695 174.600 -0.073 0.000 1.339 740 S CA 0.460 58.619 58.200 -0.069 0.000 1.039 740 S CB 1.068 64.243 63.200 -0.041 0.000 0.902 740 S HN 2.296 nan 8.310 nan 0.000 0.516 741 G N 1.644 110.407 108.800 -0.062 0.000 2.143 741 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.249 741 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.249 741 G C -0.055 174.806 174.900 -0.065 0.000 0.981 741 G CA 0.232 45.303 45.100 -0.049 0.000 0.665 741 G HN 0.845 nan 8.290 nan 0.000 0.528 742 L N 2.046 123.195 121.223 -0.122 0.000 2.416 742 L HA 0.436 4.776 4.340 -0.001 0.000 0.272 742 L C 1.563 178.410 176.870 -0.038 0.000 1.161 742 L CA 0.023 54.766 54.840 -0.163 0.000 0.845 742 L CB 0.971 42.752 42.059 -0.465 0.000 1.119 742 L HN 0.446 nan 8.230 nan 0.000 0.464 743 S N 0.738 116.459 115.700 0.036 0.000 2.566 743 S HA -0.008 4.461 4.470 -0.001 0.000 0.280 743 S C 1.200 175.885 174.600 0.142 0.000 1.343 743 S CA -0.380 57.871 58.200 0.085 0.000 1.036 743 S CB 0.902 64.162 63.200 0.100 0.000 0.866 743 S HN 0.694 nan 8.310 nan 0.000 0.526 744 T N 1.916 116.534 114.554 0.108 0.000 2.653 744 T HA -0.084 4.266 4.350 -0.001 0.000 0.268 744 T C 0.786 175.575 174.700 0.148 0.000 1.035 744 T CA 1.869 64.038 62.100 0.114 0.000 1.154 744 T CB -0.568 68.342 68.868 0.069 0.000 0.862 744 T HN 0.814 nan 8.240 nan 0.000 0.441 745 T N 2.201 116.822 114.554 0.111 0.000 2.795 745 T HA 0.575 4.924 4.350 -0.001 0.000 0.282 745 T C -0.764 174.019 174.700 0.138 0.000 0.980 745 T CA -0.762 61.376 62.100 0.062 0.000 1.012 745 T CB 0.710 69.575 68.868 -0.004 0.000 0.936 745 T HN 0.450 nan 8.240 nan 0.000 0.457 746 Y N 0.792 121.105 120.300 0.021 0.000 2.638 746 Y HA 0.815 5.365 4.550 -0.001 0.000 0.339 746 Y C -1.757 174.181 175.900 0.063 0.000 1.084 746 Y CA -1.871 56.252 58.100 0.039 0.000 1.068 746 Y CB 1.104 39.588 38.460 0.039 0.000 1.294 746 Y HN 0.412 nan 8.280 nan 0.000 0.480 747 L N 2.402 123.774 121.223 0.248 0.000 2.317 747 L HA 0.858 5.197 4.340 -0.001 0.000 0.281 747 L C -0.419 176.645 176.870 0.323 0.000 1.024 747 L CA -1.351 53.628 54.840 0.231 0.000 0.810 747 L CB 1.935 44.198 42.059 0.340 0.000 1.240 747 L HN 0.909 nan 8.230 nan 0.000 0.427 748 A N 3.278 126.208 122.820 0.182 0.000 2.271 748 A HA 0.467 4.787 4.320 -0.001 0.000 0.317 748 A C -0.556 177.167 177.584 0.231 0.000 1.245 748 A CA -0.556 51.560 52.037 0.132 0.000 0.857 748 A CB 0.780 19.651 19.000 -0.214 0.000 1.175 748 A HN 0.678 nan 8.150 nan 0.000 0.512 749 K N 3.544 124.064 120.400 0.199 0.000 2.293 749 K HA 0.283 4.602 4.320 -0.001 0.000 0.267 749 K C -0.990 175.647 176.600 0.061 0.000 1.010 749 K CA -0.220 56.124 56.287 0.096 0.000 0.875 749 K CB 0.387 32.755 32.500 -0.221 0.000 1.106 749 K HN 0.865 nan 8.250 nan 0.000 0.450 750 N N 2.865 121.631 118.700 0.109 0.000 2.400 750 N HA 0.349 5.089 4.740 -0.001 0.000 0.288 750 N C -1.474 174.066 175.510 0.049 0.000 1.024 750 N CA -0.822 52.278 53.050 0.083 0.000 0.894 750 N CB 2.149 40.712 38.487 0.127 0.000 1.173 750 N HN 0.122 nan 8.380 nan 0.000 0.487 751 V N 2.668 122.593 119.914 0.018 0.000 2.686 751 V HA 0.382 4.501 4.120 -0.001 0.000 0.306 751 V C -0.808 175.289 176.094 0.005 0.000 1.065 751 V CA -0.755 61.551 62.300 0.009 0.000 0.894 751 V CB 1.981 33.799 31.823 -0.009 0.000 1.004 751 V HN 0.461 nan 8.190 nan 0.000 0.424 752 L N 4.969 126.197 121.223 0.009 0.000 2.313 752 L HA 0.882 5.222 4.340 -0.001 0.000 0.283 752 L C 0.184 177.061 176.870 0.012 0.000 1.013 752 L CA 0.358 55.203 54.840 0.008 0.000 0.816 752 L CB 2.020 44.084 42.059 0.008 0.000 1.236 752 L HN 0.908 nan 8.230 nan 0.000 0.419 753 T N 0.252 114.811 114.554 0.008 0.000 2.841 753 T HA 0.626 4.975 4.350 -0.001 0.000 0.283 753 T C -0.431 174.274 174.700 0.008 0.000 1.000 753 T CA -0.883 61.222 62.100 0.008 0.000 0.977 753 T CB 1.371 70.241 68.868 0.003 0.000 0.979 753 T HN 0.622 nan 8.240 nan 0.000 0.446 754 D N 1.475 121.881 120.400 0.009 0.000 2.414 754 D HA 0.178 4.817 4.640 -0.001 0.000 0.259 754 D C 1.596 177.899 176.300 0.004 0.000 1.269 754 D CA -0.226 53.778 54.000 0.007 0.000 1.028 754 D CB 0.120 40.925 40.800 0.008 0.000 1.093 754 D HN 0.498 nan 8.370 nan 0.000 0.545 755 S N -1.476 114.226 115.700 0.003 0.000 2.474 755 S HA -0.162 4.308 4.470 -0.001 0.000 0.235 755 S C 1.738 176.339 174.600 0.000 0.000 0.997 755 S CA 0.810 59.010 58.200 0.001 0.000 0.949 755 S CB -0.881 62.319 63.200 0.000 0.000 0.766 755 S HN 0.585 nan 8.310 nan 0.000 0.517 756 S N 0.552 116.253 115.700 0.001 0.000 2.562 756 S HA 0.385 4.855 4.470 -0.001 0.000 0.221 756 S C 1.701 176.303 174.600 0.002 0.000 0.975 756 S CA 0.703 58.904 58.200 0.001 0.000 0.918 756 S CB -0.704 62.496 63.200 0.002 0.000 0.772 756 S HN 1.418 nan 8.310 nan 0.000 0.531 757 G N 1.220 110.021 108.800 0.003 0.000 2.199 757 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.254 757 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.254 757 G C 0.038 174.941 174.900 0.006 0.000 0.982 757 G CA 0.291 45.393 45.100 0.003 0.000 0.632 757 G HN 0.754 nan 8.290 nan 0.000 0.529 758 K N 1.470 121.875 120.400 0.008 0.000 2.484 758 K HA 0.221 4.541 4.320 -0.001 0.000 0.280 758 K C 0.469 177.078 176.600 0.014 0.000 1.013 758 K CA 0.043 56.337 56.287 0.011 0.000 1.029 758 K CB 0.245 32.751 32.500 0.011 0.000 0.902 758 K HN 0.418 nan 8.250 nan 0.000 0.481 759 E N 3.672 123.883 120.200 0.018 0.000 2.217 759 E HA 0.007 4.356 4.350 -0.001 0.000 0.279 759 E C 0.582 177.198 176.600 0.028 0.000 1.068 759 E CA -0.370 56.044 56.400 0.022 0.000 0.882 759 E CB 0.679 30.395 29.700 0.026 0.000 1.039 759 E HN 0.522 nan 8.360 nan 0.000 0.418 760 V N 0.949 120.881 119.914 0.030 0.000 3.621 760 V HA 0.304 4.423 4.120 -0.001 0.000 0.263 760 V C 0.353 176.479 176.094 0.054 0.000 1.272 760 V CA 0.204 62.526 62.300 0.037 0.000 1.080 760 V CB 0.853 32.695 31.823 0.032 0.000 0.816 760 V HN 0.371 nan 8.190 nan 0.000 0.451 761 S N 0.459 116.190 115.700 0.052 0.000 2.562 761 S HA 0.625 5.095 4.470 -0.001 0.000 0.274 761 S C -1.013 173.621 174.600 0.057 0.000 1.160 761 S CA -0.715 57.526 58.200 0.070 0.000 0.933 761 S CB 1.933 65.174 63.200 0.067 0.000 1.100 761 S HN 0.668 nan 8.310 nan 0.000 0.468 762 R N 3.138 123.688 120.500 0.083 0.000 2.534 762 R HA 0.599 4.939 4.340 -0.001 0.000 0.301 762 R C -1.640 174.741 176.300 0.136 0.000 0.961 762 R CA -0.579 55.577 56.100 0.094 0.000 0.871 762 R CB 1.116 31.475 30.300 0.099 0.000 1.170 762 R HN 0.593 nan 8.270 nan 0.000 0.446 763 N N 3.204 121.998 118.700 0.156 0.000 2.480 763 N HA 0.268 5.008 4.740 -0.001 0.000 0.289 763 N C -1.839 173.826 175.510 0.258 0.000 1.073 763 N CA -0.340 52.831 53.050 0.202 0.000 0.885 763 N CB 2.228 40.853 38.487 0.229 0.000 1.421 763 N HN 0.276 nan 8.380 nan 0.000 0.503 764 V N 4.528 124.586 119.914 0.240 0.000 2.417 764 V HA 0.471 4.590 4.120 -0.001 0.000 0.291 764 V C -0.785 175.437 176.094 0.213 0.000 1.024 764 V CA -0.521 61.992 62.300 0.355 0.000 0.861 764 V CB 0.650 32.786 31.823 0.523 0.000 0.985 764 V HN 0.481 nan 8.190 nan 0.000 0.436 765 Y N 2.812 123.190 120.300 0.130 0.000 2.377 765 Y HA 0.520 5.069 4.550 -0.001 0.000 0.339 765 Y C -0.067 175.828 175.900 -0.008 0.000 1.011 765 Y CA -0.837 57.187 58.100 -0.127 0.000 1.093 765 Y CB 1.497 39.767 38.460 -0.317 0.000 1.201 765 Y HN 0.783 nan 8.280 nan 0.000 0.455 766 W N 4.126 125.463 121.300 0.062 0.000 2.316 766 W HA 0.768 5.427 4.660 -0.001 0.000 0.308 766 W C -1.894 174.536 176.519 -0.150 0.000 1.106 766 W CA -0.810 56.453 57.345 -0.137 0.000 1.262 766 W CB 0.152 29.496 29.460 -0.193 0.000 1.233 766 W HN 0.194 nan 8.180 nan 0.000 0.447 767 L N 3.188 124.218 121.223 -0.321 0.000 2.279 767 L HA 0.713 5.053 4.340 -0.001 0.000 0.262 767 L C 0.051 176.649 176.870 -0.453 0.000 1.019 767 L CA -1.202 53.352 54.840 -0.477 0.000 0.823 767 L CB 2.094 43.668 42.059 -0.807 0.000 1.358 767 L HN 0.527 nan 8.230 nan 0.000 0.432 768 S N -1.518 114.064 115.700 -0.197 0.000 2.526 768 S HA 0.304 4.774 4.470 -0.001 0.000 0.293 768 S C 0.709 175.417 174.600 0.179 0.000 1.092 768 S CA -0.200 58.002 58.200 0.003 0.000 0.980 768 S CB 1.624 64.834 63.200 0.016 0.000 1.048 768 S HN 0.768 nan 8.310 nan 0.000 0.483 769 T N 0.829 115.534 114.554 0.253 0.000 3.051 769 T HA 0.085 4.434 4.350 -0.001 0.000 0.269 769 T C 0.572 175.338 174.700 0.110 0.000 1.127 769 T CA 0.814 63.028 62.100 0.191 0.000 1.107 769 T CB -0.251 68.691 68.868 0.124 0.000 0.898 769 T HN 0.446 nan 8.240 nan 0.000 0.517 770 K N 1.363 121.818 120.400 0.092 0.000 2.213 770 K HA 0.636 4.955 4.320 -0.001 0.000 0.270 770 K C -0.577 176.062 176.600 0.065 0.000 1.002 770 K CA -0.763 55.566 56.287 0.070 0.000 0.868 770 K CB 1.259 33.799 32.500 0.067 0.000 1.093 770 K HN 0.245 nan 8.250 nan 0.000 0.454 771 A N 3.986 126.837 122.820 0.052 0.000 2.354 771 A HA 0.167 4.486 4.320 -0.001 0.000 0.269 771 A C -0.518 177.074 177.584 0.014 0.000 1.109 771 A CA -0.488 51.573 52.037 0.040 0.000 0.800 771 A CB 0.302 19.320 19.000 0.030 0.000 1.045 771 A HN 0.786 nan 8.150 nan 0.000 0.489 772 D N 1.630 122.032 120.400 0.003 0.000 2.425 772 D HA 0.358 4.997 4.640 -0.001 0.000 0.247 772 D C 0.476 176.713 176.300 -0.104 0.000 1.147 772 D CA 1.070 55.029 54.000 -0.068 0.000 0.879 772 D CB 1.045 41.818 40.800 -0.045 0.000 1.179 772 D HN 0.677 nan 8.370 nan 0.000 0.456 773 T N -0.670 113.768 114.554 -0.192 0.000 2.903 773 T HA 0.626 4.976 4.350 -0.001 0.000 0.299 773 T C -0.429 174.070 174.700 -0.335 0.000 1.093 773 T CA -0.924 61.059 62.100 -0.196 0.000 1.002 773 T CB 0.997 69.796 68.868 -0.115 0.000 1.127 773 T HN 0.124 nan 8.240 nan 0.000 0.488 774 L N 2.706 123.660 121.223 -0.448 0.000 2.325 774 L HA 0.509 4.848 4.340 -0.001 0.000 0.279 774 L C 0.592 177.110 176.870 -0.586 0.000 1.054 774 L CA -0.911 53.484 54.840 -0.740 0.000 0.804 774 L CB 1.112 42.240 42.059 -1.552 0.000 1.200 774 L HN 0.684 nan 8.230 nan 0.000 0.436 775 N N 1.757 120.181 118.700 -0.459 0.000 2.918 775 N HA 0.062 4.801 4.740 -0.001 0.000 0.247 775 N C 0.434 175.814 175.510 -0.215 0.000 1.117 775 N CA -0.136 52.762 53.050 -0.252 0.000 1.005 775 N CB 0.277 38.672 38.487 -0.153 0.000 1.297 775 N HN 0.548 nan 8.380 nan 0.000 0.513 776 W N 1.867 123.118 121.300 -0.082 0.000 2.350 776 W HA -0.018 4.642 4.660 -0.001 0.000 0.289 776 W C 2.222 178.698 176.519 -0.072 0.000 1.215 776 W CA 0.688 57.984 57.345 -0.082 0.000 1.236 776 W CB -0.020 29.397 29.460 -0.071 0.000 1.130 776 W HN 0.530 nan 8.180 nan 0.000 0.541 777 G N -0.076 108.815 108.800 0.152 0.000 2.443 777 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.219 777 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.219 777 G C 1.606 176.529 174.900 0.037 0.000 1.131 777 G CA 0.895 46.045 45.100 0.084 0.000 0.775 777 G HN 0.377 nan 8.290 nan 0.000 0.547 778 G N 0.175 108.968 108.800 -0.011 0.000 3.026 778 G HA2 0.238 4.197 3.960 -0.001 0.000 0.208 778 G HA3 0.238 4.197 3.960 -0.001 0.000 0.208 778 G C 0.695 175.512 174.900 -0.139 0.000 1.169 778 G CA 0.062 45.129 45.100 -0.055 0.000 0.788 778 G HN 0.314 nan 8.290 nan 0.000 0.533 779 S N 0.612 116.252 115.700 -0.100 0.000 2.552 779 S HA 0.202 4.671 4.470 -0.001 0.000 0.289 779 S C -0.072 174.471 174.600 -0.095 0.000 1.304 779 S CA 0.013 58.125 58.200 -0.146 0.000 1.063 779 S CB 1.282 64.510 63.200 0.048 0.000 0.848 779 S HN 0.393 nan 8.310 nan 0.000 0.499 780 D N 0.518 120.802 120.400 -0.194 0.000 2.621 780 D HA 0.309 4.948 4.640 -0.001 0.000 0.255 780 D C 1.173 177.508 176.300 0.059 0.000 1.122 780 D CA -0.893 53.102 54.000 -0.008 0.000 1.096 780 D CB 0.476 41.266 40.800 -0.017 0.000 1.282 780 D HN 0.661 nan 8.370 nan 0.000 0.619 781 W N 1.054 122.470 121.300 0.193 0.000 2.392 781 W HA -0.173 4.487 4.660 -0.001 0.000 0.279 781 W C 0.763 177.514 176.519 0.388 0.000 1.225 781 W CA 0.863 58.373 57.345 0.274 0.000 1.233 781 W CB -0.982 28.665 29.460 0.312 0.000 1.122 781 W HN 0.457 nan 8.180 nan 0.000 0.561 782 Y N -1.009 119.058 120.300 -0.389 0.000 2.481 782 Y HA 0.412 4.961 4.550 -0.001 0.000 0.247 782 Y C -0.137 175.814 175.900 0.086 0.000 1.151 782 Y CA -0.905 57.028 58.100 -0.279 0.000 1.238 782 Y CB -0.854 37.136 38.460 -0.783 0.000 1.179 782 Y HN 0.045 nan 8.280 nan 0.000 0.524 783 Y N -1.949 118.015 120.300 -0.560 0.000 2.774 783 Y HA 0.657 5.207 4.550 -0.001 0.000 0.346 783 Y C -1.845 173.859 175.900 -0.327 0.000 1.222 783 Y CA -1.405 56.436 58.100 -0.432 0.000 1.088 783 Y CB 1.033 39.273 38.460 -0.366 0.000 1.354 783 Y HN -0.178 nan 8.280 nan 0.000 0.455 784 T N 4.894 119.003 114.554 -0.742 0.000 2.812 784 T HA 0.463 4.813 4.350 -0.001 0.000 0.282 784 T C -2.924 171.306 174.700 -0.783 0.000 0.990 784 T CA -1.444 60.209 62.100 -0.745 0.000 0.960 784 T CB 1.690 70.369 68.868 -0.315 0.000 0.948 784 T HN 0.472 nan 8.240 nan 0.000 0.438 785 P HA 0.206 nan 4.420 nan 0.000 0.274 785 P C -0.788 176.341 177.300 -0.285 0.000 1.246 785 P CA -0.583 62.346 63.100 -0.286 0.000 0.795 785 P CB 0.887 32.516 31.700 -0.118 0.000 1.006 786 Q N -0.052 119.611 119.800 -0.228 0.000 2.230 786 Q HA 0.227 4.566 4.340 -0.001 0.000 0.253 786 Q C 1.074 176.869 176.000 -0.342 0.000 0.919 786 Q CA -0.378 55.150 55.803 -0.459 0.000 0.908 786 Q CB 1.129 29.299 28.738 -0.947 0.000 1.245 786 Q HN 0.466 nan 8.270 nan 0.000 0.437 787 S N 0.253 115.770 115.700 -0.305 0.000 2.503 787 S HA 0.386 4.855 4.470 -0.001 0.000 0.217 787 S C 0.417 174.951 174.600 -0.110 0.000 0.999 787 S CA 0.161 58.270 58.200 -0.151 0.000 0.914 787 S CB 0.488 63.616 63.200 -0.120 0.000 0.782 787 S HN 0.612 nan 8.310 nan 0.000 0.520 788 A N 0.277 122.945 122.820 -0.254 0.000 2.605 788 A HA 0.687 5.006 4.320 -0.001 0.000 0.294 788 A C -1.821 175.584 177.584 -0.299 0.000 1.062 788 A CA -0.807 51.172 52.037 -0.097 0.000 0.682 788 A CB 0.604 19.595 19.000 -0.016 0.000 1.278 788 A HN 0.228 nan 8.150 nan 0.000 0.410 789 F N 1.106 121.062 119.950 0.009 0.000 2.482 789 F HA 0.684 5.210 4.527 -0.001 0.000 0.331 789 F C 0.935 176.737 175.800 0.004 0.000 1.115 789 F CA -0.130 57.877 58.000 0.013 0.000 0.955 789 F CB 2.023 41.029 39.000 0.010 0.000 1.136 789 F HN 0.882 nan 8.300 nan 0.000 0.452 790 A N 1.372 124.282 122.820 0.151 0.000 2.547 790 A HA 0.199 4.519 4.320 -0.001 0.000 0.233 790 A C -0.254 177.366 177.584 0.060 0.000 1.067 790 A CA 0.107 52.194 52.037 0.083 0.000 0.763 790 A CB -0.017 19.009 19.000 0.043 0.000 1.007 790 A HN 0.693 nan 8.150 nan 0.000 0.506 791 D N 1.513 121.926 120.400 0.022 0.000 2.464 791 D HA 0.431 5.071 4.640 -0.001 0.000 0.243 791 D C 0.113 176.382 176.300 -0.052 0.000 1.104 791 D CA -0.207 53.789 54.000 -0.006 0.000 0.883 791 D CB 0.390 41.205 40.800 0.024 0.000 1.050 791 D HN 0.355 nan 8.370 nan 0.000 0.524 792 L N 2.324 123.456 121.223 -0.150 0.000 2.667 792 L HA 0.070 4.409 4.340 -0.001 0.000 0.232 792 L C 2.101 178.898 176.870 -0.122 0.000 1.138 792 L CA -0.014 54.708 54.840 -0.196 0.000 0.921 792 L CB 0.039 41.825 42.059 -0.456 0.000 1.180 792 L HN 0.285 nan 8.230 nan 0.000 0.487 793 S N -0.293 115.375 115.700 -0.052 0.000 2.500 793 S HA -0.111 4.358 4.470 -0.001 0.000 0.239 793 S C 2.067 176.702 174.600 0.058 0.000 0.989 793 S CA 0.846 59.067 58.200 0.035 0.000 0.951 793 S CB -0.582 62.641 63.200 0.038 0.000 0.759 793 S HN 0.458 nan 8.310 nan 0.000 0.523 794 G N 2.316 111.133 108.800 0.028 0.000 2.475 794 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.220 794 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.220 794 G C 1.323 176.255 174.900 0.053 0.000 1.125 794 G CA 0.967 46.089 45.100 0.037 0.000 0.755 794 G HN 0.565 nan 8.290 nan 0.000 0.565 795 L N 0.218 121.461 121.223 0.033 0.000 2.189 795 L HA -0.169 4.171 4.340 -0.001 0.000 0.214 795 L C 2.584 179.699 176.870 0.408 0.000 1.097 795 L CA 1.252 56.142 54.840 0.082 0.000 0.764 795 L CB -0.550 41.389 42.059 -0.200 0.000 0.900 795 L HN 0.258 nan 8.230 nan 0.000 0.436 796 N N -0.026 118.866 118.700 0.321 0.000 2.272 796 N HA -0.166 4.573 4.740 -0.001 0.000 0.185 796 N C 1.061 176.654 175.510 0.139 0.000 1.014 796 N CA 1.148 54.345 53.050 0.246 0.000 0.870 796 N CB -0.016 38.562 38.487 0.152 0.000 0.975 796 N HN 0.368 nan 8.380 nan 0.000 0.433 797 N N 0.193 118.965 118.700 0.121 0.000 2.204 797 N HA 0.057 4.796 4.740 -0.001 0.000 0.219 797 N C -0.513 175.038 175.510 0.069 0.000 1.151 797 N CA -0.262 52.830 53.050 0.070 0.000 0.867 797 N CB 0.427 38.943 38.487 0.049 0.000 1.043 797 N HN 0.141 nan 8.380 nan 0.000 0.516 798 L N 2.102 123.392 121.223 0.112 0.000 2.601 798 L HA 0.160 4.499 4.340 -0.001 0.000 0.277 798 L C 0.937 177.844 176.870 0.062 0.000 1.219 798 L CA 0.068 54.956 54.840 0.081 0.000 0.915 798 L CB -0.009 42.118 42.059 0.113 0.000 1.160 798 L HN 0.097 nan 8.230 nan 0.000 0.494 799 G N 4.285 113.098 108.800 0.020 0.000 2.606 799 G HA2 0.175 4.134 3.960 -0.001 0.000 0.252 799 G HA3 0.175 4.134 3.960 -0.001 0.000 0.252 799 G C -0.417 174.481 174.900 -0.003 0.000 1.206 799 G CA -0.665 44.437 45.100 0.003 0.000 0.861 799 G HN 0.693 nan 8.290 nan 0.000 0.561 800 Q N -0.351 119.439 119.800 -0.017 0.000 2.364 800 Q HA 0.246 4.585 4.340 -0.001 0.000 0.267 800 Q C 0.408 176.388 176.000 -0.034 0.000 0.999 800 Q CA 0.130 55.917 55.803 -0.026 0.000 0.886 800 Q CB 1.466 30.182 28.738 -0.036 0.000 1.243 800 Q HN 0.449 nan 8.270 nan 0.000 0.415 801 S N -0.209 115.468 115.700 -0.039 0.000 2.894 801 S HA 0.895 5.364 4.470 -0.001 0.000 0.298 801 S C -1.535 173.036 174.600 -0.048 0.000 1.054 801 S CA -0.022 58.145 58.200 -0.054 0.000 0.903 801 S CB 1.437 64.587 63.200 -0.084 0.000 1.356 801 S HN 0.688 nan 8.310 nan 0.000 0.626 802 A N 0.159 122.949 122.820 -0.051 0.000 2.547 802 A HA 0.728 5.047 4.320 -0.001 0.000 0.297 802 A C -1.588 175.970 177.584 -0.044 0.000 1.056 802 A CA -0.452 51.559 52.037 -0.043 0.000 0.688 802 A CB 1.489 20.468 19.000 -0.034 0.000 1.282 802 A HN 1.026 nan 8.150 nan 0.000 0.400 803 V N 1.307 121.196 119.914 -0.042 0.000 2.733 803 V HA 0.733 4.853 4.120 -0.001 0.000 0.306 803 V C 0.528 176.602 176.094 -0.032 0.000 1.084 803 V CA 1.087 63.364 62.300 -0.039 0.000 0.905 803 V CB 1.502 33.293 31.823 -0.053 0.000 1.010 803 V HN 2.719 nan 8.190 nan 0.000 0.424 804 G N 4.591 113.378 108.800 -0.023 0.000 2.173 804 G HA2 0.255 4.215 3.960 -0.001 0.000 0.174 804 G HA3 0.255 4.215 3.960 -0.001 0.000 0.174 804 G C -0.009 174.883 174.900 -0.013 0.000 1.025 804 G CA 0.066 45.156 45.100 -0.017 0.000 0.706 804 G HN 1.945 nan 8.290 nan 0.000 0.499 805 A N -0.297 122.516 122.820 -0.011 0.000 2.343 805 A HA 0.929 5.249 4.320 -0.001 0.000 0.316 805 A C -0.112 177.475 177.584 0.006 0.000 1.104 805 A CA 0.072 52.107 52.037 -0.004 0.000 0.768 805 A CB 2.025 21.019 19.000 -0.010 0.000 1.213 805 A HN 0.793 nan 8.150 nan 0.000 0.456 806 T N 0.978 115.541 114.554 0.015 0.000 2.916 806 T HA 0.719 5.069 4.350 -0.001 0.000 0.298 806 T C -0.608 174.112 174.700 0.033 0.000 1.031 806 T CA 0.173 62.285 62.100 0.020 0.000 0.993 806 T CB 1.465 70.343 68.868 0.016 0.000 1.045 806 T HN 1.502 nan 8.240 nan 0.000 0.454 807 A N 3.618 126.459 122.820 0.035 0.000 2.435 807 A HA 0.852 5.172 4.320 -0.001 0.000 0.304 807 A C -0.853 176.752 177.584 0.035 0.000 1.064 807 A CA -0.786 51.279 52.037 0.048 0.000 0.727 807 A CB 1.432 20.470 19.000 0.064 0.000 1.284 807 A HN 0.797 nan 8.150 nan 0.000 0.415 808 N N 0.232 118.952 118.700 0.034 0.000 2.329 808 N HA 0.618 5.357 4.740 -0.001 0.000 0.282 808 N C -1.399 174.120 175.510 0.016 0.000 1.198 808 N CA -0.309 52.754 53.050 0.021 0.000 0.790 808 N CB 1.924 40.418 38.487 0.012 0.000 1.579 808 N HN 0.522 nan 8.380 nan 0.000 0.475 809 S N 0.785 116.491 115.700 0.009 0.000 2.526 809 S HA 0.529 4.999 4.470 -0.001 0.000 0.293 809 S C -0.937 173.644 174.600 -0.031 0.000 1.092 809 S CA -0.564 57.632 58.200 -0.006 0.000 0.980 809 S CB 1.962 65.178 63.200 0.027 0.000 1.048 809 S HN 0.316 nan 8.310 nan 0.000 0.483 810 V N 2.234 122.109 119.914 -0.065 0.000 2.407 810 V HA 0.628 4.748 4.120 -0.001 0.000 0.291 810 V C 0.084 176.115 176.094 -0.105 0.000 1.018 810 V CA -0.885 61.374 62.300 -0.070 0.000 0.842 810 V CB 1.277 33.062 31.823 -0.064 0.000 0.996 810 V HN 1.020 nan 8.190 nan 0.000 0.426 811 A N 4.103 126.872 122.820 -0.086 0.000 2.395 811 A HA 0.673 4.992 4.320 -0.001 0.000 0.286 811 A C 0.818 178.350 177.584 -0.086 0.000 1.193 811 A CA 0.376 52.353 52.037 -0.099 0.000 0.852 811 A CB 0.042 19.002 19.000 -0.067 0.000 1.118 811 A HN 1.039 nan 8.150 nan 0.000 0.524 812 G N 0.431 109.168 108.800 -0.104 0.000 2.562 812 G HA2 0.480 4.439 3.960 -0.001 0.000 0.275 812 G HA3 0.480 4.439 3.960 -0.001 0.000 0.275 812 G C 0.939 175.800 174.900 -0.064 0.000 1.196 812 G CA 0.072 45.123 45.100 -0.082 0.000 0.908 812 G HN 1.220 nan 8.290 nan 0.000 0.524 813 A N -0.325 122.465 122.820 -0.051 0.000 2.169 813 A HA 0.098 4.418 4.320 -0.001 0.000 0.212 813 A C 1.660 179.221 177.584 -0.039 0.000 1.153 813 A CA 1.483 53.497 52.037 -0.039 0.000 0.756 813 A CB -0.095 18.886 19.000 -0.031 0.000 0.813 813 A HN 0.604 nan 8.150 nan 0.000 0.471 814 D N -1.518 118.854 120.400 -0.047 0.000 2.324 814 D HA 0.240 4.879 4.640 -0.001 0.000 0.235 814 D C 1.121 177.391 176.300 -0.049 0.000 1.095 814 D CA 0.699 54.672 54.000 -0.044 0.000 0.871 814 D CB -0.686 40.087 40.800 -0.046 0.000 0.906 814 D HN 0.636 nan 8.370 nan 0.000 0.522 815 G N 0.028 108.794 108.800 -0.055 0.000 2.159 815 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.256 815 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.256 815 G C 0.401 175.250 174.900 -0.085 0.000 0.977 815 G CA 0.623 45.689 45.100 -0.056 0.000 0.652 815 G HN 0.855 nan 8.290 nan 0.000 0.531 816 T N -1.972 112.512 114.554 -0.118 0.000 2.918 816 T HA 0.719 5.068 4.350 -0.001 0.000 0.286 816 T C -0.237 174.298 174.700 -0.274 0.000 1.026 816 T CA 0.179 62.164 62.100 -0.191 0.000 1.031 816 T CB 2.566 71.328 68.868 -0.177 0.000 1.046 816 T HN 0.300 nan 8.240 nan 0.000 0.479 817 T N 2.365 116.618 114.554 -0.502 0.000 2.823 817 T HA 0.553 4.902 4.350 -0.001 0.000 0.279 817 T C -0.346 173.955 174.700 -0.665 0.000 0.998 817 T CA -0.504 61.244 62.100 -0.587 0.000 0.994 817 T CB 1.321 69.775 68.868 -0.690 0.000 0.960 817 T HN 0.776 nan 8.240 nan 0.000 0.448 818 T N 3.319 117.653 114.554 -0.367 0.000 2.758 818 T HA 0.411 4.761 4.350 -0.001 0.000 0.285 818 T C 0.105 174.707 174.700 -0.163 0.000 0.981 818 T CA -0.474 61.467 62.100 -0.265 0.000 0.965 818 T CB 0.856 69.622 68.868 -0.169 0.000 0.927 818 T HN 0.463 nan 8.240 nan 0.000 0.448 819 T N 3.722 118.215 114.554 -0.102 0.000 2.767 819 T HA 0.426 4.776 4.350 -0.001 0.000 0.288 819 T C 0.195 174.870 174.700 -0.042 0.000 0.963 819 T CA -0.386 61.705 62.100 -0.015 0.000 1.019 819 T CB 0.766 69.688 68.868 0.090 0.000 0.923 819 T HN 0.465 nan 8.240 nan 0.000 0.468 820 T N 3.112 117.671 114.554 0.008 0.000 2.771 820 T HA 0.525 4.875 4.350 -0.001 0.000 0.281 820 T C -0.593 174.158 174.700 0.086 0.000 0.982 820 T CA -0.492 61.633 62.100 0.042 0.000 0.978 820 T CB 1.412 70.294 68.868 0.023 0.000 0.930 820 T HN 0.395 nan 8.240 nan 0.000 0.447 821 V N 4.069 124.071 119.914 0.146 0.000 2.495 821 V HA 0.624 4.744 4.120 -0.001 0.000 0.298 821 V C -0.470 175.678 176.094 0.090 0.000 1.031 821 V CA -0.293 62.086 62.300 0.132 0.000 0.871 821 V CB 1.980 33.917 31.823 0.190 0.000 0.988 821 V HN 0.969 nan 8.190 nan 0.000 0.432 822 T N 8.463 123.050 114.554 0.055 0.000 2.770 822 T HA 0.608 4.957 4.350 -0.001 0.000 0.283 822 T C -0.506 174.205 174.700 0.020 0.000 0.988 822 T CA -0.158 61.963 62.100 0.036 0.000 0.957 822 T CB 0.761 69.646 68.868 0.029 0.000 0.930 822 T HN 0.509 nan 8.240 nan 0.000 0.443 823 L N 3.259 124.487 121.223 0.009 0.000 2.334 823 L HA 0.684 5.024 4.340 -0.001 0.000 0.276 823 L C -0.031 176.837 176.870 -0.003 0.000 1.014 823 L CA -0.898 53.937 54.840 -0.009 0.000 0.815 823 L CB 1.842 43.879 42.059 -0.036 0.000 1.268 823 L HN 0.432 nan 8.230 nan 0.000 0.428 824 K N 1.877 122.273 120.400 -0.006 0.000 2.468 824 K HA 0.297 4.616 4.320 -0.001 0.000 0.252 824 K C -0.965 175.631 176.600 -0.007 0.000 0.932 824 K CA -0.773 55.516 56.287 0.002 0.000 0.794 824 K CB 1.689 34.193 32.500 0.007 0.000 1.241 824 K HN 0.487 nan 8.250 nan 0.000 0.428 825 N N 2.683 121.382 118.700 -0.002 0.000 2.399 825 N HA -0.006 4.733 4.740 -0.001 0.000 0.259 825 N C -0.021 175.483 175.510 -0.009 0.000 1.160 825 N CA 0.183 53.223 53.050 -0.017 0.000 0.946 825 N CB 0.988 39.459 38.487 -0.026 0.000 1.156 825 N HN 0.705 nan 8.380 nan 0.000 0.489 826 T N -0.696 113.848 114.554 -0.016 0.000 3.122 826 T HA 0.078 4.428 4.350 -0.001 0.000 0.250 826 T C 0.883 175.575 174.700 -0.013 0.000 1.067 826 T CA -0.446 61.648 62.100 -0.010 0.000 0.966 826 T CB -0.412 68.450 68.868 -0.011 0.000 1.002 826 T HN 0.406 nan 8.240 nan 0.000 0.542 827 S N 0.379 116.066 115.700 -0.022 0.000 2.584 827 S HA 0.476 4.945 4.470 -0.001 0.000 0.270 827 S C 1.352 175.944 174.600 -0.013 0.000 1.346 827 S CA -0.134 58.052 58.200 -0.024 0.000 1.018 827 S CB 0.956 64.132 63.200 -0.040 0.000 0.899 827 S HN 0.383 nan 8.310 nan 0.000 0.542 828 G N 0.077 108.871 108.800 -0.010 0.000 3.189 828 G HA2 0.519 4.478 3.960 -0.001 0.000 0.225 828 G HA3 0.519 4.478 3.960 -0.001 0.000 0.225 828 G C 0.461 175.363 174.900 0.003 0.000 1.159 828 G CA 0.002 45.102 45.100 -0.001 0.000 0.763 828 G HN 1.000 nan 8.290 nan 0.000 0.549 829 G N -0.245 108.552 108.800 -0.004 0.000 3.039 829 G HA2 0.434 4.393 3.960 -0.001 0.000 0.159 829 G HA3 0.434 4.393 3.960 -0.001 0.000 0.159 829 G C 0.431 175.335 174.900 0.007 0.000 1.284 829 G CA -0.694 44.407 45.100 0.002 0.000 0.996 829 G HN 0.118 nan 8.290 nan 0.000 0.592 830 R N -0.894 119.610 120.500 0.007 0.000 2.432 830 R HA 0.307 4.646 4.340 -0.001 0.000 0.260 830 R C 0.004 176.268 176.300 -0.059 0.000 0.935 830 R CA -0.168 55.947 56.100 0.024 0.000 1.080 830 R CB 0.068 30.412 30.300 0.072 0.000 1.155 830 R HN 0.178 nan 8.270 nan 0.000 0.531 831 L N 3.459 124.615 121.223 -0.111 0.000 2.305 831 L HA 0.334 4.674 4.340 -0.001 0.000 0.281 831 L C -2.028 174.613 176.870 -0.381 0.000 1.085 831 L CA -2.118 52.596 54.840 -0.209 0.000 0.813 831 L CB 0.832 42.814 42.059 -0.128 0.000 1.157 831 L HN -0.209 nan 8.230 nan 0.000 0.436 832 P HA 0.096 nan 4.420 nan 0.000 0.274 832 P C -0.898 176.143 177.300 -0.431 0.000 1.231 832 P CA -0.489 62.041 63.100 -0.950 0.000 0.790 832 P CB 1.047 31.649 31.700 -1.829 0.000 0.951 833 A N 3.508 126.149 122.820 -0.298 0.000 2.310 833 A HA 0.379 4.698 4.320 -0.001 0.000 0.300 833 A C -0.672 176.867 177.584 -0.075 0.000 1.269 833 A CA -0.326 51.633 52.037 -0.130 0.000 0.909 833 A CB -0.949 17.991 19.000 -0.100 0.000 1.144 833 A HN 0.506 nan 8.150 nan 0.000 0.540 834 F N 3.384 123.238 119.950 -0.159 0.000 2.427 834 F HA 0.482 5.009 4.527 -0.001 0.000 0.346 834 F C -0.212 175.584 175.800 -0.007 0.000 1.120 834 F CA -0.997 56.924 58.000 -0.131 0.000 1.033 834 F CB 0.528 39.417 39.000 -0.184 0.000 1.126 834 F HN 0.671 nan 8.300 nan 0.000 0.462 835 Y N 4.226 124.008 120.300 -0.864 0.000 2.973 835 Y HA -0.146 4.403 4.550 -0.001 0.000 0.153 835 Y C -1.430 174.196 175.900 -0.457 0.000 1.748 835 Y CA 0.255 57.832 58.100 -0.872 0.000 0.920 835 Y CB -1.115 36.489 38.460 -1.427 0.000 1.478 835 Y HN 0.411 nan 8.280 nan 0.000 0.366 836 V N 4.281 123.907 119.914 -0.479 0.000 2.333 836 V HA 0.253 4.373 4.120 -0.001 0.000 0.274 836 V C 0.099 175.896 176.094 -0.494 0.000 1.028 836 V CA -0.467 61.616 62.300 -0.361 0.000 0.851 836 V CB 1.517 33.193 31.823 -0.245 0.000 1.000 836 V HN 0.473 nan 8.190 nan 0.000 0.456 837 D N 3.437 123.575 120.400 -0.436 0.000 2.329 837 D HA 0.389 5.028 4.640 -0.001 0.000 0.232 837 D C -0.306 175.782 176.300 -0.353 0.000 1.088 837 D CA 0.044 53.768 54.000 -0.459 0.000 0.835 837 D CB 1.618 42.246 40.800 -0.286 0.000 1.078 837 D HN 0.471 nan 8.370 nan 0.000 0.495 838 S N 3.616 119.010 115.700 -0.509 0.000 2.451 838 S HA 0.499 4.968 4.470 -0.001 0.000 0.301 838 S C -0.335 174.074 174.600 -0.317 0.000 1.116 838 S CA -0.854 57.095 58.200 -0.418 0.000 1.093 838 S CB 1.299 64.152 63.200 -0.578 0.000 1.017 838 S HN 0.267 nan 8.310 nan 0.000 0.482 839 K N 2.049 122.456 120.400 0.011 0.000 2.507 839 K HA 0.358 4.677 4.320 -0.001 0.000 0.252 839 K C -1.111 175.621 176.600 0.220 0.000 0.943 839 K CA -0.717 55.676 56.287 0.176 0.000 0.808 839 K CB 2.032 34.571 32.500 0.065 0.000 1.142 839 K HN 0.343 nan 8.250 nan 0.000 0.426 840 V N 3.567 123.640 119.914 0.265 0.000 2.485 840 V HA 0.055 4.175 4.120 -0.001 0.000 0.287 840 V C 0.491 176.533 176.094 -0.086 0.000 1.022 840 V CA -0.272 62.019 62.300 -0.014 0.000 1.067 840 V CB 0.448 32.072 31.823 -0.330 0.000 0.967 840 V HN 0.574 nan 8.190 nan 0.000 0.479 841 V N 1.818 121.686 119.914 -0.076 0.000 3.074 841 V HA 0.821 4.941 4.120 -0.001 0.000 0.314 841 V C -0.395 175.652 176.094 -0.077 0.000 1.117 841 V CA -1.037 61.221 62.300 -0.070 0.000 1.014 841 V CB 2.139 33.941 31.823 -0.035 0.000 1.057 841 V HN 0.762 nan 8.190 nan 0.000 0.438 842 D N 1.292 121.652 120.400 -0.067 0.000 2.469 842 D HA 0.264 4.903 4.640 -0.001 0.000 0.278 842 D C 1.463 177.744 176.300 -0.033 0.000 1.231 842 D CA 0.238 54.209 54.000 -0.049 0.000 1.075 842 D CB 0.407 41.179 40.800 -0.046 0.000 1.121 842 D HN 0.809 nan 8.370 nan 0.000 0.571 843 S N -1.624 114.061 115.700 -0.025 0.000 2.447 843 S HA -0.048 4.421 4.470 -0.001 0.000 0.233 843 S C 1.754 176.340 174.600 -0.023 0.000 1.006 843 S CA 0.586 58.774 58.200 -0.020 0.000 0.957 843 S CB -0.735 62.456 63.200 -0.015 0.000 0.773 843 S HN 0.650 nan 8.310 nan 0.000 0.507 844 A N 0.611 123.414 122.820 -0.028 0.000 2.251 844 A HA 0.592 4.912 4.320 -0.001 0.000 0.209 844 A C 1.673 179.237 177.584 -0.033 0.000 1.187 844 A CA 0.391 52.410 52.037 -0.031 0.000 0.823 844 A CB -1.031 17.948 19.000 -0.034 0.000 0.846 844 A HN 1.500 nan 8.150 nan 0.000 0.486 845 G N -0.322 108.458 108.800 -0.033 0.000 2.143 845 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.248 845 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.248 845 G C 0.142 175.019 174.900 -0.039 0.000 0.991 845 G CA 0.611 45.691 45.100 -0.033 0.000 0.689 845 G HN 0.822 nan 8.290 nan 0.000 0.522 846 K N 0.929 121.301 120.400 -0.048 0.000 2.201 846 K HA 0.597 4.916 4.320 -0.001 0.000 0.278 846 K C -2.327 174.237 176.600 -0.061 0.000 1.027 846 K CA -2.137 54.115 56.287 -0.057 0.000 0.909 846 K CB 1.164 33.623 32.500 -0.067 0.000 1.062 846 K HN -0.001 nan 8.250 nan 0.000 0.465 847 P HA -0.056 nan 4.420 nan 0.000 0.268 847 P C -1.084 176.168 177.300 -0.080 0.000 1.204 847 P CA -0.327 62.741 63.100 -0.053 0.000 0.768 847 P CB 0.667 32.353 31.700 -0.022 0.000 0.842 848 V N 5.496 125.331 119.914 -0.133 0.000 2.408 848 V HA 0.249 4.368 4.120 -0.001 0.000 0.267 848 V C 0.441 176.454 176.094 -0.135 0.000 1.047 848 V CA 0.193 62.384 62.300 -0.182 0.000 0.937 848 V CB -0.300 31.285 31.823 -0.396 0.000 0.999 848 V HN 0.357 nan 8.190 nan 0.000 0.472 849 L N 6.875 128.064 121.223 -0.057 0.000 2.409 849 L HA 0.605 4.944 4.340 -0.001 0.000 0.262 849 L C -2.274 174.596 176.870 -0.000 0.000 0.992 849 L CA -1.815 53.025 54.840 0.001 0.000 0.817 849 L CB 2.891 44.969 42.059 0.032 0.000 1.350 849 L HN 0.413 nan 8.230 nan 0.000 0.411 850 P HA 0.192 nan 4.420 nan 0.000 0.272 850 P C -1.142 176.234 177.300 0.126 0.000 1.240 850 P CA -0.220 62.907 63.100 0.045 0.000 0.791 850 P CB 2.145 33.756 31.700 -0.148 0.000 0.978 851 V N 0.153 120.200 119.914 0.222 0.000 3.012 851 V HA 0.367 4.486 4.120 -0.001 0.000 0.307 851 V C -1.346 174.789 176.094 0.068 0.000 1.166 851 V CA -0.611 61.745 62.300 0.093 0.000 0.974 851 V CB 2.360 34.169 31.823 -0.024 0.000 1.040 851 V HN 0.582 nan 8.190 nan 0.000 0.428 852 E N 4.732 124.915 120.200 -0.028 0.000 2.244 852 E HA 0.348 4.698 4.350 -0.001 0.000 0.260 852 E C -1.851 174.696 176.600 -0.088 0.000 0.884 852 E CA -0.294 56.096 56.400 -0.015 0.000 0.777 852 E CB 1.865 31.587 29.700 0.036 0.000 1.197 852 E HN 0.636 nan 8.360 nan 0.000 0.416 853 W N 2.824 124.141 121.300 0.028 0.000 2.512 853 W HA 0.166 4.826 4.660 -0.001 0.000 0.335 853 W C 1.700 178.234 176.519 0.025 0.000 1.088 853 W CA -0.524 56.840 57.345 0.031 0.000 1.236 853 W CB 0.766 30.244 29.460 0.030 0.000 1.307 853 W HN 0.518 nan 8.180 nan 0.000 0.567 854 N N 1.410 120.269 118.700 0.265 0.000 2.270 854 N HA 0.027 4.767 4.740 -0.001 0.000 0.181 854 N C 0.107 175.702 175.510 0.143 0.000 1.016 854 N CA 1.172 54.316 53.050 0.156 0.000 0.870 854 N CB 0.143 38.696 38.487 0.110 0.000 0.979 854 N HN 0.335 nan 8.380 nan 0.000 0.431 855 A N -1.143 121.778 122.820 0.169 0.000 2.601 855 A HA 0.639 4.958 4.320 -0.001 0.000 0.291 855 A C -1.300 176.235 177.584 -0.082 0.000 1.075 855 A CA -0.707 51.361 52.037 0.051 0.000 0.671 855 A CB 1.394 20.412 19.000 0.029 0.000 1.277 855 A HN 0.271 nan 8.150 nan 0.000 0.417 856 N N -1.377 117.146 118.700 -0.294 0.000 3.373 856 N HA 0.543 5.282 4.740 -0.001 0.000 0.275 856 N C -0.345 174.715 175.510 -0.750 0.000 1.489 856 N CA 0.533 53.173 53.050 -0.683 0.000 0.872 856 N CB 1.410 39.259 38.487 -1.064 0.000 1.555 856 N HN 2.365 nan 8.380 nan 0.000 0.500 857 A N -0.058 122.151 122.820 -1.018 0.000 2.415 857 A HA -0.122 4.198 4.320 -0.001 0.000 0.292 857 A C 0.351 177.560 177.584 -0.624 0.000 1.452 857 A CA 1.116 52.528 52.037 -1.042 0.000 0.750 857 A CB -2.430 15.869 19.000 -1.169 0.000 1.099 857 A HN 1.119 nan 8.150 nan 0.000 0.391 858 V N -2.127 117.516 119.914 -0.451 0.000 2.863 858 V HA 0.917 5.037 4.120 -0.001 0.000 0.307 858 V C 0.423 176.426 176.094 -0.152 0.000 1.061 858 V CA -0.120 62.052 62.300 -0.212 0.000 1.024 858 V CB 2.044 33.773 31.823 -0.156 0.000 1.049 858 V HN 1.014 nan 8.190 nan 0.000 0.471 859 S N 3.489 119.202 115.700 0.022 0.000 2.532 859 S HA 0.789 5.259 4.470 -0.001 0.000 0.299 859 S C -0.726 173.998 174.600 0.206 0.000 1.105 859 S CA -0.521 57.745 58.200 0.109 0.000 1.018 859 S CB 1.161 64.549 63.200 0.314 0.000 1.021 859 S HN 0.720 nan 8.310 nan 0.000 0.483 860 L N 2.237 123.521 121.223 0.101 0.000 2.385 860 L HA 0.553 4.892 4.340 -0.001 0.000 0.273 860 L C -0.483 176.448 176.870 0.101 0.000 0.990 860 L CA -0.606 54.336 54.840 0.171 0.000 0.821 860 L CB 1.333 43.430 42.059 0.064 0.000 1.279 860 L HN 0.543 nan 8.230 nan 0.000 0.412 861 W N 2.148 123.429 121.300 -0.032 0.000 2.253 861 W HA 0.285 4.945 4.660 -0.001 0.000 0.348 861 W C -2.079 174.421 176.519 -0.032 0.000 1.229 861 W CA -1.541 55.768 57.345 -0.060 0.000 1.335 861 W CB 1.270 30.674 29.460 -0.092 0.000 1.165 861 W HN 0.121 nan 8.180 nan 0.000 0.631 862 P HA 0.003 nan 4.420 nan 0.000 0.262 862 P C 0.547 177.895 177.300 0.080 0.000 1.182 862 P CA 2.047 65.177 63.100 0.051 0.000 0.761 862 P CB 0.199 31.922 31.700 0.039 0.000 0.795 863 G N 1.995 110.825 108.800 0.051 0.000 2.267 863 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.257 863 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.257 863 G C 0.133 175.067 174.900 0.056 0.000 0.998 863 G CA -0.228 44.902 45.100 0.050 0.000 0.620 863 G HN 0.556 nan 8.290 nan 0.000 0.529 864 E N 1.045 121.293 120.200 0.080 0.000 2.373 864 E HA 0.475 4.824 4.350 -0.001 0.000 0.267 864 E C -0.244 176.390 176.600 0.057 0.000 1.032 864 E CA 0.486 56.935 56.400 0.083 0.000 0.889 864 E CB 0.755 30.536 29.700 0.134 0.000 0.984 864 E HN 0.169 nan 8.360 nan 0.000 0.425 865 T N 1.525 116.108 114.554 0.048 0.000 2.863 865 T HA 0.378 4.727 4.350 -0.001 0.000 0.285 865 T C -0.531 174.190 174.700 0.035 0.000 1.009 865 T CA -0.494 61.627 62.100 0.034 0.000 0.989 865 T CB 1.879 70.763 68.868 0.028 0.000 1.004 865 T HN 0.297 nan 8.240 nan 0.000 0.455 866 T N 1.555 116.124 114.554 0.026 0.000 2.900 866 T HA 0.614 4.964 4.350 -0.001 0.000 0.295 866 T C -1.019 173.697 174.700 0.028 0.000 1.044 866 T CA -0.412 61.704 62.100 0.026 0.000 0.995 866 T CB 1.360 70.240 68.868 0.019 0.000 1.072 866 T HN 0.535 nan 8.240 nan 0.000 0.473 867 T N 4.734 119.311 114.554 0.038 0.000 2.770 867 T HA 0.632 4.981 4.350 -0.001 0.000 0.283 867 T C -0.584 174.162 174.700 0.078 0.000 0.988 867 T CA -0.505 61.626 62.100 0.052 0.000 0.957 867 T CB 0.422 69.316 68.868 0.043 0.000 0.930 867 T HN 0.383 nan 8.240 nan 0.000 0.443 868 L N 2.359 123.657 121.223 0.125 0.000 2.342 868 L HA 0.687 5.026 4.340 -0.001 0.000 0.271 868 L C 0.125 177.152 176.870 0.262 0.000 1.008 868 L CA -0.902 54.072 54.840 0.224 0.000 0.818 868 L CB 2.154 44.381 42.059 0.279 0.000 1.296 868 L HN 0.514 nan 8.230 nan 0.000 0.427 869 T N 1.558 116.255 114.554 0.238 0.000 2.840 869 T HA 0.660 5.009 4.350 -0.001 0.000 0.287 869 T C -0.587 174.014 174.700 -0.166 0.000 0.991 869 T CA -0.465 61.657 62.100 0.035 0.000 0.964 869 T CB 1.693 70.570 68.868 0.016 0.000 0.954 869 T HN 0.653 nan 8.240 nan 0.000 0.438 870 A N 3.851 126.345 122.820 -0.544 0.000 2.331 870 A HA 0.795 5.115 4.320 -0.001 0.000 0.320 870 A C -0.373 176.995 177.584 -0.360 0.000 1.138 870 A CA -0.775 50.719 52.037 -0.904 0.000 0.790 870 A CB 0.990 18.931 19.000 -1.765 0.000 1.206 870 A HN 0.694 nan 8.150 nan 0.000 0.470 871 K N 1.140 121.398 120.400 -0.237 0.000 2.316 871 K HA 0.674 4.993 4.320 -0.001 0.000 0.251 871 K C -1.687 174.903 176.600 -0.017 0.000 0.934 871 K CA -0.457 55.723 56.287 -0.179 0.000 0.802 871 K CB 2.117 34.531 32.500 -0.144 0.000 1.171 871 K HN 0.798 nan 8.250 nan 0.000 0.426 872 Y N -1.897 118.323 120.300 -0.133 0.000 2.677 872 Y HA 0.421 4.970 4.550 -0.001 0.000 0.334 872 Y C -0.957 174.900 175.900 -0.072 0.000 1.196 872 Y CA -1.545 56.499 58.100 -0.094 0.000 1.059 872 Y CB 0.682 39.081 38.460 -0.102 0.000 1.315 872 Y HN 0.285 nan 8.280 nan 0.000 0.455 873 R N 1.081 121.623 120.500 0.068 0.000 2.401 873 R HA 0.178 4.517 4.340 -0.001 0.000 0.299 873 R C 0.508 176.845 176.300 0.061 0.000 1.064 873 R CA 0.566 56.669 56.100 0.005 0.000 1.000 873 R CB 0.815 31.128 30.300 0.021 0.000 0.973 873 R HN 0.945 nan 8.270 nan 0.000 0.438 874 T N 2.417 116.941 114.554 -0.050 0.000 2.680 874 T HA -0.308 4.041 4.350 -0.001 0.000 0.268 874 T C 1.904 176.638 174.700 0.055 0.000 1.033 874 T CA 2.021 64.120 62.100 -0.001 0.000 1.152 874 T CB -0.097 68.740 68.868 -0.051 0.000 0.859 874 T HN 0.776 nan 8.240 nan 0.000 0.452 875 A N 1.606 124.444 122.820 0.031 0.000 2.019 875 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 875 A C 1.995 179.601 177.584 0.037 0.000 1.164 875 A CA 1.470 53.523 52.037 0.027 0.000 0.644 875 A CB -0.444 18.562 19.000 0.011 0.000 0.805 875 A HN 0.363 nan 8.150 nan 0.000 0.449 876 D N -0.487 119.950 120.400 0.062 0.000 2.348 876 D HA -0.045 4.595 4.640 -0.001 0.000 0.216 876 D C 1.401 177.721 176.300 0.034 0.000 0.970 876 D CA 0.321 54.350 54.000 0.048 0.000 0.889 876 D CB 0.004 40.840 40.800 0.059 0.000 0.912 876 D HN 0.239 nan 8.370 nan 0.000 0.524 877 L N 0.829 122.094 121.223 0.070 0.000 2.275 877 L HA -0.037 4.302 4.340 -0.001 0.000 0.215 877 L C 0.876 177.754 176.870 0.014 0.000 1.119 877 L CA 0.993 55.857 54.840 0.041 0.000 0.790 877 L CB -0.612 41.505 42.059 0.097 0.000 0.919 877 L HN 0.019 nan 8.230 nan 0.000 0.443 878 K N -0.349 120.061 120.400 0.016 0.000 3.035 878 K HA -0.261 4.058 4.320 -0.001 0.000 0.262 878 K C 1.057 177.659 176.600 0.003 0.000 1.024 878 K CA 0.323 56.613 56.287 0.004 0.000 0.748 878 K CB -1.958 30.539 32.500 -0.006 0.000 1.247 878 K HN 0.542 nan 8.250 nan 0.000 0.482 879 G N -0.777 108.029 108.800 0.010 0.000 2.217 879 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.246 879 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.246 879 G C 0.099 175.003 174.900 0.007 0.000 0.990 879 G CA 0.277 45.381 45.100 0.007 0.000 0.627 879 G HN 0.559 nan 8.290 nan 0.000 0.522 880 S N 0.810 116.513 115.700 0.006 0.000 2.580 880 S HA 0.512 4.981 4.470 -0.001 0.000 0.274 880 S C 0.854 175.462 174.600 0.015 0.000 1.329 880 S CA -0.099 58.103 58.200 0.004 0.000 1.036 880 S CB 0.406 63.601 63.200 -0.007 0.000 0.919 880 S HN 0.407 nan 8.310 nan 0.000 0.515 881 K N 4.065 124.471 120.400 0.011 0.000 2.382 881 K HA 0.233 4.553 4.320 -0.001 0.000 0.275 881 K C -2.355 174.257 176.600 0.020 0.000 1.009 881 K CA -1.244 55.054 56.287 0.019 0.000 0.970 881 K CB -0.089 32.418 32.500 0.012 0.000 0.934 881 K HN 0.504 nan 8.250 nan 0.000 0.479 882 P HA 0.159 nan 4.420 nan 0.000 0.284 882 P C -0.882 176.429 177.300 0.019 0.000 1.253 882 P CA -0.402 62.716 63.100 0.030 0.000 0.800 882 P CB 1.440 33.200 31.700 0.099 0.000 0.961 883 S N 0.436 116.137 115.700 0.001 0.000 2.745 883 S HA 0.653 5.123 4.470 -0.001 0.000 0.306 883 S C -0.683 173.929 174.600 0.021 0.000 1.137 883 S CA -0.663 57.544 58.200 0.011 0.000 0.900 883 S CB 1.435 64.636 63.200 0.001 0.000 1.176 883 S HN 0.225 nan 8.310 nan 0.000 0.520 884 V N 1.734 121.671 119.914 0.038 0.000 2.482 884 V HA 0.474 4.594 4.120 -0.001 0.000 0.295 884 V C -0.247 175.867 176.094 0.032 0.000 1.026 884 V CA -0.680 61.661 62.300 0.068 0.000 0.856 884 V CB 1.409 33.302 31.823 0.117 0.000 1.001 884 V HN 0.739 nan 8.190 nan 0.000 0.424 885 R N 4.872 125.385 120.500 0.021 0.000 2.265 885 R HA 0.665 5.005 4.340 -0.001 0.000 0.314 885 R C -1.115 175.164 176.300 -0.035 0.000 1.053 885 R CA -0.339 55.755 56.100 -0.010 0.000 0.931 885 R CB 0.684 30.975 30.300 -0.015 0.000 1.024 885 R HN 0.720 nan 8.270 nan 0.000 0.457 886 I N 3.289 123.829 120.570 -0.051 0.000 2.411 886 I HA 0.252 4.422 4.170 -0.001 0.000 0.284 886 I C -0.707 175.358 176.117 -0.086 0.000 1.012 886 I CA -0.448 60.801 61.300 -0.085 0.000 1.119 886 I CB 2.108 40.061 38.000 -0.077 0.000 1.261 886 I HN 0.519 nan 8.210 nan 0.000 0.448 887 S N 3.681 119.318 115.700 -0.104 0.000 2.532 887 S HA 0.798 5.268 4.470 -0.001 0.000 0.299 887 S C -0.011 174.528 174.600 -0.101 0.000 1.105 887 S CA -0.751 57.396 58.200 -0.088 0.000 1.018 887 S CB 2.037 65.196 63.200 -0.068 0.000 1.021 887 S HN 0.798 nan 8.310 nan 0.000 0.483 888 G N 0.752 109.506 108.800 -0.077 0.000 2.498 888 G HA2 0.456 4.416 3.960 -0.001 0.000 0.312 888 G HA3 0.456 4.416 3.960 -0.001 0.000 0.312 888 G C 0.235 175.149 174.900 0.023 0.000 1.230 888 G CA -0.845 44.225 45.100 -0.050 0.000 0.968 888 G HN 0.749 nan 8.290 nan 0.000 0.481 889 W N 1.753 122.985 121.300 -0.113 0.000 2.335 889 W HA -0.125 4.535 4.660 -0.001 0.000 0.311 889 W C 0.861 177.359 176.519 -0.035 0.000 1.213 889 W CA 1.835 59.133 57.345 -0.078 0.000 1.274 889 W CB 0.217 29.624 29.460 -0.089 0.000 1.148 889 W HN 0.622 nan 8.180 nan 0.000 0.498 890 N N -0.113 118.708 118.700 0.202 0.000 2.338 890 N HA -0.014 4.725 4.740 -0.001 0.000 0.251 890 N C 0.379 175.889 175.510 0.000 0.000 1.199 890 N CA 0.889 53.983 53.050 0.073 0.000 0.879 890 N CB -0.559 38.041 38.487 0.188 0.000 1.159 890 N HN 0.077 nan 8.380 nan 0.000 0.514 891 T N -4.686 109.852 114.554 -0.027 0.000 3.111 891 T HA 0.466 4.815 4.350 -0.001 0.000 0.284 891 T C 0.885 175.547 174.700 -0.064 0.000 0.983 891 T CA 0.249 62.321 62.100 -0.047 0.000 0.900 891 T CB 0.235 69.074 68.868 -0.049 0.000 1.132 891 T HN 0.406 nan 8.240 nan 0.000 0.531 892 G N 1.229 109.979 108.800 -0.083 0.000 2.645 892 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.239 892 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.239 892 G C -0.492 174.361 174.900 -0.078 0.000 1.331 892 G CA -0.264 44.784 45.100 -0.087 0.000 0.890 892 G HN 0.800 nan 8.290 nan 0.000 0.572 893 T N 1.219 115.731 114.554 -0.070 0.000 2.886 893 T HA 0.662 5.011 4.350 -0.001 0.000 0.292 893 T C -0.056 174.613 174.700 -0.051 0.000 1.012 893 T CA 0.140 62.203 62.100 -0.062 0.000 0.982 893 T CB 1.722 70.554 68.868 -0.061 0.000 1.018 893 T HN 0.997 nan 8.240 nan 0.000 0.451 894 Q N 0.271 120.043 119.800 -0.046 0.000 2.456 894 Q HA 0.778 5.118 4.340 -0.001 0.000 0.284 894 Q C -1.217 174.765 176.000 -0.030 0.000 1.061 894 Q CA -1.066 54.716 55.803 -0.036 0.000 0.799 894 Q CB 2.223 30.942 28.738 -0.033 0.000 1.445 894 Q HN 0.588 nan 8.270 nan 0.000 0.411 895 T N -0.725 113.815 114.554 -0.022 0.000 2.876 895 T HA 0.666 5.016 4.350 -0.001 0.000 0.289 895 T C -0.521 174.175 174.700 -0.008 0.000 1.014 895 T CA -0.292 61.800 62.100 -0.014 0.000 0.986 895 T CB 1.533 70.393 68.868 -0.014 0.000 1.021 895 T HN 0.921 nan 8.240 nan 0.000 0.458 896 V N 1.556 121.471 119.914 0.001 0.000 2.864 896 V HA 0.912 5.031 4.120 -0.001 0.000 0.314 896 V C -2.825 173.275 176.094 0.011 0.000 1.073 896 V CA -2.850 59.453 62.300 0.005 0.000 0.956 896 V CB 1.669 33.497 31.823 0.009 0.000 1.023 896 V HN 0.854 nan 8.190 nan 0.000 0.435 897 P HA 0.382 nan 4.420 nan 0.000 0.275 897 P C -0.101 177.212 177.300 0.021 0.000 1.228 897 P CA -0.038 63.069 63.100 0.012 0.000 0.786 897 P CB 1.793 33.498 31.700 0.008 0.000 0.927 898 A N -0.113 122.723 122.820 0.027 0.000 2.603 898 A HA 0.583 4.902 4.320 -0.001 0.000 0.277 898 A C 0.459 178.062 177.584 0.032 0.000 1.158 898 A CA 0.847 52.905 52.037 0.036 0.000 0.962 898 A CB -0.360 18.672 19.000 0.054 0.000 1.189 898 A HN 0.717 nan 8.150 nan 0.000 0.552 899 D N 0.000 120.415 120.400 0.024 0.000 6.856 899 D HA 0.000 4.639 4.640 -0.001 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