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 2vzt_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 DFAPDRRIEQ GYLDAMKAAD FLLPVIPAAS DATA SEQUENCE ARPSPITGAS GMKMNGPYDY VPPVYWYDKS QKDRGGAWSF NSATSAGVDI 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 LPVEWNDNAV 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 0.000 174.934 174.900 0.057 0.000 0.946 49 G CA 0.000 45.131 45.100 0.051 0.000 0.502 50 N N 1.276 120.016 118.700 0.067 0.000 2.412 50 N HA 0.405 5.144 4.740 -0.001 0.000 0.258 50 N C -0.289 175.271 175.510 0.083 0.000 1.236 50 N CA 0.967 54.060 53.050 0.073 0.000 0.882 50 N CB 0.977 39.510 38.487 0.077 0.000 1.066 50 N HN 0.327 nan 8.380 nan 0.000 0.465 51 A N 3.283 126.151 122.820 0.081 0.000 2.569 51 A HA 0.369 4.688 4.320 -0.001 0.000 0.282 51 A C -0.788 176.851 177.584 0.092 0.000 1.165 51 A CA -0.674 51.418 52.037 0.093 0.000 0.747 51 A CB 0.792 19.843 19.000 0.084 0.000 1.215 51 A HN 0.553 nan 8.150 nan 0.000 0.431 52 T N 4.917 119.531 114.554 0.099 0.000 2.770 52 T HA 0.583 4.932 4.350 -0.001 0.000 0.283 52 T C -2.806 171.954 174.700 0.101 0.000 0.988 52 T CA -1.149 61.005 62.100 0.091 0.000 0.957 52 T CB 1.373 70.288 68.868 0.079 0.000 0.930 52 T HN 0.410 nan 8.240 nan 0.000 0.443 53 P HA 0.236 nan 4.420 nan 0.000 0.271 53 P C -0.186 177.161 177.300 0.079 0.000 1.216 53 P CA -0.484 62.678 63.100 0.105 0.000 0.776 53 P CB 0.348 32.108 31.700 0.101 0.000 0.881 54 I N 5.698 126.313 120.570 0.075 0.000 2.581 54 I HA 0.009 4.179 4.170 -0.001 0.000 0.285 54 I C -0.862 175.211 176.117 -0.074 0.000 1.129 54 I CA -1.124 60.161 61.300 -0.025 0.000 1.397 54 I CB 0.535 38.497 38.000 -0.063 0.000 1.399 54 I HN 0.364 nan 8.210 nan 0.000 0.537 55 P HA 0.038 nan 4.420 nan 0.000 0.221 55 P C 0.520 177.798 177.300 -0.037 0.000 1.150 55 P CA 0.720 63.811 63.100 -0.015 0.000 0.800 55 P CB 0.431 32.136 31.700 0.009 0.000 0.787 56 G N -2.145 106.540 108.800 -0.191 0.000 2.506 56 G HA2 0.528 4.487 3.960 -0.001 0.000 0.292 56 G HA3 0.528 4.487 3.960 -0.001 0.000 0.292 56 G C -2.197 172.486 174.900 -0.362 0.000 1.425 56 G CA -0.619 44.407 45.100 -0.123 0.000 0.788 56 G HN -0.079 nan 8.290 nan 0.000 0.490 57 Y N -1.579 118.843 120.300 0.203 0.000 2.638 57 Y HA 0.658 5.207 4.550 -0.001 0.000 0.339 57 Y C 0.266 176.297 175.900 0.218 0.000 1.084 57 Y CA -1.040 57.204 58.100 0.239 0.000 1.068 57 Y CB 2.371 41.028 38.460 0.328 0.000 1.294 57 Y HN 0.620 nan 8.280 nan 0.000 0.480 58 V N 1.342 121.514 119.914 0.431 0.000 2.483 58 V HA 0.794 4.914 4.120 -0.001 0.000 0.295 58 V C -0.457 176.008 176.094 0.617 0.000 1.035 58 V CA -0.820 61.753 62.300 0.455 0.000 0.896 58 V CB 1.206 33.269 31.823 0.400 0.000 0.986 58 V HN 0.722 nan 8.190 nan 0.000 0.447 59 I N 1.427 122.283 120.570 0.477 0.000 2.785 59 I HA 0.991 5.161 4.170 -0.001 0.000 0.302 59 I C -0.777 175.374 176.117 0.057 0.000 1.069 59 I CA -0.767 60.689 61.300 0.259 0.000 1.045 59 I CB 2.304 40.245 38.000 -0.097 0.000 1.236 59 I HN 0.760 nan 8.210 nan 0.000 0.429 60 Q N 2.648 122.202 119.800 -0.410 0.000 2.527 60 Q HA 0.371 4.711 4.340 -0.001 0.000 0.280 60 Q C -1.266 174.156 176.000 -0.963 0.000 0.977 60 Q CA -0.436 54.825 55.803 -0.904 0.000 0.837 60 Q CB 2.338 29.799 28.738 -2.128 0.000 1.454 60 Q HN 0.886 nan 8.270 nan 0.000 0.387 61 S N 0.192 114.926 115.700 -1.610 0.000 2.560 61 S HA 0.144 4.613 4.470 -0.001 0.000 0.284 61 S C 0.901 175.151 174.600 -0.584 0.000 1.327 61 S CA 0.619 57.890 58.200 -1.549 0.000 1.055 61 S CB 0.230 62.598 63.200 -1.387 0.000 0.868 61 S HN 0.741 nan 8.310 nan 0.000 0.506 62 S N 4.033 119.550 115.700 -0.306 0.000 2.507 62 S HA -0.022 4.448 4.470 -0.001 0.000 0.235 62 S C 1.821 176.385 174.600 -0.059 0.000 0.988 62 S CA 0.600 58.813 58.200 0.022 0.000 0.944 62 S CB -0.560 62.651 63.200 0.019 0.000 0.762 62 S HN 0.908 nan 8.310 nan 0.000 0.526 63 A N 1.363 124.076 122.820 -0.177 0.000 2.131 63 A HA -0.063 4.256 4.320 -0.001 0.000 0.220 63 A C 2.166 179.686 177.584 -0.106 0.000 1.158 63 A CA 1.140 53.098 52.037 -0.131 0.000 0.665 63 A CB -0.411 18.492 19.000 -0.162 0.000 0.795 63 A HN 0.691 nan 8.150 nan 0.000 0.460 64 Q N -0.833 118.887 119.800 -0.133 0.000 2.282 64 Q HA 0.225 4.565 4.340 -0.001 0.000 0.206 64 Q C -0.845 175.163 176.000 0.015 0.000 0.878 64 Q CA 0.117 55.874 55.803 -0.077 0.000 0.944 64 Q CB 0.913 29.568 28.738 -0.139 0.000 1.100 64 Q HN 0.362 nan 8.270 nan 0.000 0.509 65 V N 1.675 121.604 119.914 0.025 0.000 2.409 65 V HA 0.099 4.219 4.120 -0.001 0.000 0.290 65 V C 0.717 176.830 176.094 0.032 0.000 1.017 65 V CA -0.130 62.193 62.300 0.037 0.000 0.841 65 V CB 1.658 33.441 31.823 -0.066 0.000 1.003 65 V HN 0.201 nan 8.190 nan 0.000 0.426 66 S N 1.518 117.228 115.700 0.017 0.000 2.492 66 S HA 0.136 4.606 4.470 -0.001 0.000 0.218 66 S C 0.401 175.003 174.600 0.003 0.000 1.016 66 S CA 0.124 58.334 58.200 0.017 0.000 0.916 66 S CB 0.253 63.461 63.200 0.013 0.000 0.791 66 S HN 0.674 nan 8.310 nan 0.000 0.513 67 D N 1.071 121.447 120.400 -0.040 0.000 2.454 67 D HA 0.364 5.003 4.640 -0.001 0.000 0.247 67 D C -0.269 175.883 176.300 -0.247 0.000 1.129 67 D CA -0.421 53.525 54.000 -0.090 0.000 0.877 67 D CB 1.411 42.165 40.800 -0.077 0.000 1.082 67 D HN -0.192 nan 8.370 nan 0.000 0.537 68 D N 1.040 121.314 120.400 -0.209 0.000 2.123 68 D HA -0.194 4.445 4.640 -0.001 0.000 0.196 68 D C 2.009 177.658 176.300 -1.086 0.000 0.992 68 D CA 1.613 55.364 54.000 -0.415 0.000 0.833 68 D CB -0.075 40.711 40.800 -0.023 0.000 0.954 68 D HN 0.517 nan 8.370 nan 0.000 0.455 69 S N 0.478 115.640 115.700 -0.897 0.000 2.400 69 S HA -0.155 4.315 4.470 -0.001 0.000 0.232 69 S C 2.126 176.389 174.600 -0.563 0.000 1.025 69 S CA 1.309 59.034 58.200 -0.791 0.000 0.993 69 S CB -0.406 62.714 63.200 -0.134 0.000 0.808 69 S HN 0.265 nan 8.310 nan 0.000 0.478 70 A N 1.463 123.965 122.820 -0.530 0.000 1.972 70 A HA 0.086 4.405 4.320 -0.001 0.000 0.219 70 A C 2.387 179.447 177.584 -0.873 0.000 1.169 70 A CA 1.509 53.275 52.037 -0.451 0.000 0.635 70 A CB -1.049 17.816 19.000 -0.224 0.000 0.810 70 A HN 0.482 nan 8.150 nan 0.000 0.446 71 V N 0.912 119.991 119.914 -1.391 0.000 2.287 71 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 71 V C 2.667 178.218 176.094 -0.905 0.000 1.053 71 V CA 2.328 63.520 62.300 -1.847 0.000 1.027 71 V CB -0.937 29.759 31.823 -1.878 0.000 0.646 71 V HN 0.776 nan 8.190 nan 0.000 0.447 72 S N -1.276 114.107 115.700 -0.528 0.000 2.631 72 S HA 0.122 4.591 4.470 -0.001 0.000 0.217 72 S C 0.573 175.126 174.600 -0.079 0.000 0.958 72 S CA -0.213 57.884 58.200 -0.172 0.000 0.920 72 S CB -0.452 62.766 63.200 0.030 0.000 0.776 72 S HN 0.583 nan 8.310 nan 0.000 0.517 73 K N 2.916 123.244 120.400 -0.119 0.000 2.349 73 K HA 0.305 4.625 4.320 -0.001 0.000 0.288 73 K C -2.815 173.799 176.600 0.024 0.000 1.058 73 K CA -2.039 54.239 56.287 -0.015 0.000 0.953 73 K CB 0.288 32.778 32.500 -0.017 0.000 0.997 73 K HN 0.121 nan 8.250 nan 0.000 0.477 74 P HA -0.108 nan 4.420 nan 0.000 0.262 74 P C 0.695 178.015 177.300 0.033 0.000 1.182 74 P CA 0.949 64.082 63.100 0.055 0.000 0.761 74 P CB 0.604 32.363 31.700 0.098 0.000 0.795 75 G N 2.504 111.312 108.800 0.014 0.000 2.213 75 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.236 75 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.236 75 G C 0.122 175.001 174.900 -0.036 0.000 0.991 75 G CA -0.423 44.667 45.100 -0.017 0.000 0.629 75 G HN 0.560 nan 8.290 nan 0.000 0.517 76 F N 4.863 124.714 119.950 -0.166 0.000 2.612 76 F HA 0.470 4.996 4.527 -0.001 0.000 0.389 76 F C -1.061 174.570 175.800 -0.281 0.000 1.055 76 F CA -1.249 56.612 58.000 -0.232 0.000 1.232 76 F CB 0.494 39.316 39.000 -0.296 0.000 1.044 76 F HN 0.081 nan 8.300 nan 0.000 0.560 77 P HA 0.183 nan 4.420 nan 0.000 0.279 77 P C -0.548 176.165 177.300 -0.980 0.000 1.239 77 P CA -0.292 62.356 63.100 -0.753 0.000 0.789 77 P CB 1.068 32.431 31.700 -0.561 0.000 0.933 78 T N -2.915 111.248 114.554 -0.652 0.000 3.516 78 T HA 0.161 4.510 4.350 -0.001 0.000 0.300 78 T C 0.285 174.834 174.700 -0.252 0.000 0.995 78 T CA -0.494 61.110 62.100 -0.827 0.000 0.982 78 T CB -0.751 67.584 68.868 -0.889 0.000 1.199 78 T HN 0.359 nan 8.240 nan 0.000 0.481 79 S N 0.951 116.560 115.700 -0.152 0.000 2.516 79 S HA 0.458 4.927 4.470 -0.001 0.000 0.282 79 S C 1.795 176.424 174.600 0.048 0.000 1.286 79 S CA 1.029 59.199 58.200 -0.050 0.000 1.066 79 S CB -0.384 62.764 63.200 -0.086 0.000 0.884 79 S HN 1.629 nan 8.310 nan 0.000 0.491 80 G N 3.875 112.672 108.800 -0.004 0.000 2.179 80 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.260 80 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.260 80 G C -0.033 174.738 174.900 -0.214 0.000 0.977 80 G CA 0.204 45.245 45.100 -0.099 0.000 0.641 80 G HN 0.666 nan 8.290 nan 0.000 0.533 81 W N 0.300 121.427 121.300 -0.288 0.000 2.137 81 W HA 0.625 5.285 4.660 -0.001 0.000 0.344 81 W C 0.481 176.824 176.519 -0.294 0.000 1.286 81 W CA -0.360 56.843 57.345 -0.237 0.000 1.240 81 W CB 0.066 29.505 29.460 -0.034 0.000 1.141 81 W HN 0.133 nan 8.180 nan 0.000 0.579 82 Y N 3.489 123.947 120.300 0.264 0.000 2.341 82 Y HA 0.269 4.819 4.550 -0.001 0.000 0.340 82 Y C -1.612 174.405 175.900 0.194 0.000 0.997 82 Y CA -2.917 55.296 58.100 0.189 0.000 1.149 82 Y CB 0.113 38.665 38.460 0.155 0.000 1.171 82 Y HN 0.014 nan 8.280 nan 0.000 0.494 83 P HA 0.148 nan 4.420 nan 0.000 0.276 83 P C -0.814 176.615 177.300 0.215 0.000 1.235 83 P CA -0.047 63.187 63.100 0.223 0.000 0.772 83 P CB 1.479 33.272 31.700 0.155 0.000 0.871 84 V N 0.469 120.518 119.914 0.225 0.000 2.925 84 V HA 0.704 4.824 4.120 -0.001 0.000 0.311 84 V C 0.079 176.315 176.094 0.237 0.000 1.104 84 V CA -0.952 61.475 62.300 0.212 0.000 0.954 84 V CB 1.595 33.541 31.823 0.204 0.000 1.022 84 V HN 0.631 nan 8.190 nan 0.000 0.427 85 S N 2.348 118.171 115.700 0.206 0.000 2.634 85 S HA 0.471 4.941 4.470 -0.001 0.000 0.261 85 S C 0.557 175.332 174.600 0.292 0.000 1.271 85 S CA 0.203 58.526 58.200 0.204 0.000 0.985 85 S CB 1.086 64.385 63.200 0.165 0.000 0.968 85 S HN 1.599 nan 8.310 nan 0.000 0.568 86 S N 0.284 116.140 115.700 0.260 0.000 2.563 86 S HA 0.152 4.621 4.470 -0.001 0.000 0.284 86 S C 0.484 175.251 174.600 0.278 0.000 1.331 86 S CA 0.009 58.394 58.200 0.309 0.000 1.047 86 S CB -0.625 62.705 63.200 0.217 0.000 0.859 86 S HN 0.774 nan 8.310 nan 0.000 0.514 87 R N 0.576 121.220 120.500 0.240 0.000 3.654 87 R HA -0.111 4.228 4.340 -0.001 0.000 0.302 87 R C -0.734 175.680 176.300 0.190 0.000 1.166 87 R CA 0.648 56.852 56.100 0.173 0.000 0.810 87 R CB -2.649 27.765 30.300 0.189 0.000 1.323 87 R HN 0.451 nan 8.270 nan 0.000 0.478 88 S N 0.940 116.768 115.700 0.213 0.000 2.462 88 S HA 0.312 4.781 4.470 -0.001 0.000 0.294 88 S C 0.791 175.502 174.600 0.186 0.000 1.144 88 S CA -0.394 57.932 58.200 0.211 0.000 1.088 88 S CB 1.790 65.135 63.200 0.241 0.000 1.009 88 S HN 0.306 nan 8.310 nan 0.000 0.484 89 T N 0.117 114.749 114.554 0.131 0.000 2.748 89 T HA 0.225 4.574 4.350 -0.001 0.000 0.304 89 T C 1.541 176.270 174.700 0.048 0.000 1.041 89 T CA -0.754 61.396 62.100 0.083 0.000 1.033 89 T CB 0.280 69.196 68.868 0.079 0.000 0.995 89 T HN 0.192 nan 8.240 nan 0.000 0.536 90 V N 0.860 120.726 119.914 -0.080 0.000 2.255 90 V HA -0.146 3.974 4.120 -0.001 0.000 0.247 90 V C 2.167 178.065 176.094 -0.327 0.000 1.051 90 V CA 2.051 64.157 62.300 -0.323 0.000 1.018 90 V CB -1.276 30.095 31.823 -0.754 0.000 0.641 90 V HN 0.920 nan 8.190 nan 0.000 0.445 91 Y N 1.354 121.341 120.300 -0.523 0.000 2.224 91 Y HA -0.167 4.382 4.550 -0.001 0.000 0.289 91 Y C 2.351 178.086 175.900 -0.275 0.000 1.146 91 Y CA 1.152 58.986 58.100 -0.444 0.000 1.182 91 Y CB -0.721 37.393 38.460 -0.576 0.000 0.983 91 Y HN 0.150 nan 8.280 nan 0.000 0.524 92 A N 0.109 122.787 122.820 -0.237 0.000 1.908 92 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 92 A C 2.537 180.020 177.584 -0.168 0.000 1.181 92 A CA 1.833 53.738 52.037 -0.220 0.000 0.627 92 A CB -1.683 17.321 19.000 0.006 0.000 0.818 92 A HN 0.578 nan 8.150 nan 0.000 0.445 93 G N -0.212 108.528 108.800 -0.101 0.000 2.418 93 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.217 93 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.217 93 G C 1.548 176.375 174.900 -0.121 0.000 1.158 93 G CA 1.044 46.109 45.100 -0.059 0.000 0.771 93 G HN 0.448 nan 8.290 nan 0.000 0.545 94 L N -0.090 121.008 121.223 -0.208 0.000 2.046 94 L HA 0.004 4.343 4.340 -0.001 0.000 0.208 94 L C 2.905 179.668 176.870 -0.177 0.000 1.077 94 L CA 0.490 55.189 54.840 -0.235 0.000 0.747 94 L CB -0.442 41.579 42.059 -0.062 0.000 0.896 94 L HN 0.172 nan 8.230 nan 0.000 0.432 95 L N -0.616 120.446 121.223 -0.268 0.000 2.042 95 L HA -0.268 4.072 4.340 -0.001 0.000 0.210 95 L C 2.704 179.483 176.870 -0.151 0.000 1.076 95 L CA 1.308 55.985 54.840 -0.271 0.000 0.749 95 L CB -0.508 41.260 42.059 -0.486 0.000 0.893 95 L HN 0.381 nan 8.230 nan 0.000 0.432 96 Q N -0.059 119.671 119.800 -0.116 0.000 2.181 96 Q HA -0.190 4.150 4.340 -0.001 0.000 0.205 96 Q C 1.323 177.320 176.000 -0.005 0.000 0.980 96 Q CA 1.227 57.006 55.803 -0.040 0.000 0.862 96 Q CB 0.116 28.855 28.738 0.002 0.000 0.905 96 Q HN 0.518 nan 8.270 nan 0.000 0.429 97 N N -1.925 116.774 118.700 -0.000 0.000 2.235 97 N HA 0.077 4.817 4.740 -0.001 0.000 0.209 97 N C 0.451 175.977 175.510 0.026 0.000 1.122 97 N CA 0.788 53.873 53.050 0.059 0.000 0.845 97 N CB 1.617 40.213 38.487 0.182 0.000 1.004 97 N HN 0.379 nan 8.380 nan 0.000 0.499 98 G N 1.135 109.919 108.800 -0.027 0.000 2.391 98 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.204 98 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.204 98 G C 0.918 175.765 174.900 -0.087 0.000 1.012 98 G CA -0.045 45.032 45.100 -0.038 0.000 0.651 98 G HN 0.280 nan 8.290 nan 0.000 0.494 99 K N -0.617 119.687 120.400 -0.161 0.000 2.308 99 K HA 0.378 4.698 4.320 -0.001 0.000 0.197 99 K C -0.174 176.043 176.600 -0.638 0.000 1.049 99 K CA 0.290 56.363 56.287 -0.358 0.000 0.991 99 K CB 0.306 32.545 32.500 -0.434 0.000 0.836 99 K HN 0.375 nan 8.250 nan 0.000 0.500 100 Y N -0.420 119.883 120.300 0.006 0.000 2.576 100 Y HA 0.469 5.018 4.550 -0.001 0.000 0.346 100 Y C 0.032 175.947 175.900 0.026 0.000 1.018 100 Y CA -1.267 56.864 58.100 0.052 0.000 1.050 100 Y CB 1.494 40.039 38.460 0.143 0.000 1.280 100 Y HN -0.072 nan 8.280 nan 0.000 0.474 101 A N 0.395 123.356 122.820 0.235 0.000 2.327 101 A HA 0.215 4.535 4.320 -0.001 0.000 0.255 101 A C -0.336 177.347 177.584 0.165 0.000 1.099 101 A CA -0.312 51.821 52.037 0.161 0.000 0.801 101 A CB -0.061 19.041 19.000 0.172 0.000 1.062 101 A HN 0.734 nan 8.150 nan 0.000 0.496 102 D N 0.526 121.013 120.400 0.144 0.000 2.451 102 D HA 0.098 4.738 4.640 -0.001 0.000 0.254 102 D C -1.357 175.129 176.300 0.310 0.000 1.204 102 D CA -1.329 52.765 54.000 0.157 0.000 0.896 102 D CB 0.760 41.653 40.800 0.155 0.000 1.136 102 D HN 0.160 nan 8.370 nan 0.000 0.499 103 P HA -0.076 nan 4.420 nan 0.000 0.233 103 P C 1.114 178.917 177.300 0.838 0.000 1.167 103 P CA 0.279 63.721 63.100 0.570 0.000 0.770 103 P CB 0.056 32.103 31.700 0.578 0.000 0.837 104 F N -1.215 118.999 119.950 0.441 0.000 2.604 104 F HA 0.059 4.586 4.527 -0.001 0.000 0.298 104 F C 1.069 177.009 175.800 0.233 0.000 1.131 104 F CA -0.268 57.934 58.000 0.336 0.000 1.457 104 F CB -1.013 38.142 39.000 0.260 0.000 1.095 104 F HN -0.078 nan 8.300 nan 0.000 0.574 105 Y N -0.330 120.174 120.300 0.340 0.000 2.335 105 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 105 Y C 0.881 176.904 175.900 0.206 0.000 0.977 105 Y CA -0.529 57.662 58.100 0.153 0.000 1.114 105 Y CB 0.967 39.510 38.460 0.138 0.000 1.182 105 Y HN 0.004 nan 8.280 nan 0.000 0.463 106 S N 2.449 117.760 115.700 -0.648 0.000 3.711 106 S HA -0.326 4.143 4.470 -0.001 0.000 0.625 106 S C 0.981 175.661 174.600 0.134 0.000 2.458 106 S CA 2.231 60.177 58.200 -0.423 0.000 4.059 106 S CB -1.592 61.149 63.200 -0.765 0.000 0.257 106 S HN 1.304 nan 8.310 nan 0.000 0.974 107 T N -0.083 114.461 114.554 -0.017 0.000 3.244 107 T HA 0.339 4.688 4.350 -0.001 0.000 0.254 107 T C 1.050 175.757 174.700 0.013 0.000 1.024 107 T CA 0.505 62.531 62.100 -0.125 0.000 0.920 107 T CB -0.389 68.289 68.868 -0.317 0.000 1.042 107 T HN 0.449 nan 8.240 nan 0.000 0.572 108 N N 1.834 120.640 118.700 0.176 0.000 2.132 108 N HA -0.119 4.620 4.740 -0.001 0.000 0.191 108 N C 1.495 177.128 175.510 0.205 0.000 1.015 108 N CA 1.371 54.552 53.050 0.219 0.000 0.864 108 N CB -0.357 38.315 38.487 0.308 0.000 1.006 108 N HN 0.499 nan 8.380 nan 0.000 0.430 109 M N 0.581 120.356 119.600 0.292 0.000 2.296 109 M HA -0.120 4.359 4.480 -0.001 0.000 0.265 109 M C 1.695 178.043 176.300 0.081 0.000 1.064 109 M CA 1.218 56.663 55.300 0.241 0.000 1.109 109 M CB 0.103 32.954 32.600 0.418 0.000 1.396 109 M HN 0.130 nan 8.290 nan 0.000 0.430 110 Q N -0.098 119.716 119.800 0.023 0.000 2.172 110 Q HA -0.101 4.238 4.340 -0.001 0.000 0.200 110 Q C 1.012 176.984 176.000 -0.047 0.000 0.964 110 Q CA 0.976 56.740 55.803 -0.066 0.000 0.855 110 Q CB -0.070 28.534 28.738 -0.223 0.000 0.918 110 Q HN 0.564 nan 8.270 nan 0.000 0.444 111 N N 0.116 118.808 118.700 -0.013 0.000 2.571 111 N HA -0.019 4.720 4.740 -0.001 0.000 0.189 111 N C -0.366 175.140 175.510 -0.006 0.000 1.154 111 N CA 0.309 53.369 53.050 0.017 0.000 0.907 111 N CB 0.242 38.773 38.487 0.073 0.000 0.977 111 N HN -0.013 nan 8.380 nan 0.000 0.449 112 V N 2.789 122.633 119.914 -0.117 0.000 2.432 112 V HA 0.206 4.326 4.120 -0.001 0.000 0.271 112 V C -2.026 173.962 176.094 -0.177 0.000 1.046 112 V CA -1.628 60.481 62.300 -0.317 0.000 0.945 112 V CB 0.984 32.477 31.823 -0.550 0.000 0.992 112 V HN -0.051 nan 8.190 nan 0.000 0.471 113 P HA 0.208 nan 4.420 nan 0.000 0.270 113 P C 0.430 177.643 177.300 -0.146 0.000 1.242 113 P CA -0.010 63.035 63.100 -0.091 0.000 0.768 113 P CB 1.042 32.711 31.700 -0.051 0.000 0.820 114 A N 4.130 126.913 122.820 -0.062 0.000 2.123 114 A HA 0.135 4.454 4.320 -0.001 0.000 0.214 114 A C 2.057 179.623 177.584 -0.031 0.000 1.152 114 A CA 1.121 53.181 52.037 0.039 0.000 0.728 114 A CB -0.948 18.102 19.000 0.084 0.000 0.814 114 A HN 0.489 nan 8.150 nan 0.000 0.464 115 A N 1.140 123.917 122.820 -0.071 0.000 1.917 115 A HA -0.307 4.012 4.320 -0.001 0.000 0.219 115 A C 2.141 179.672 177.584 -0.087 0.000 1.182 115 A CA 1.909 53.915 52.037 -0.051 0.000 0.633 115 A CB -0.823 18.151 19.000 -0.043 0.000 0.819 115 A HN 0.792 nan 8.150 nan 0.000 0.448 116 Q N -1.806 117.852 119.800 -0.236 0.000 2.368 116 Q HA -0.135 4.205 4.340 -0.001 0.000 0.210 116 Q C 0.655 176.602 176.000 -0.089 0.000 0.982 116 Q CA 1.491 57.149 55.803 -0.242 0.000 0.884 116 Q CB -0.508 28.006 28.738 -0.373 0.000 0.933 116 Q HN 0.616 nan 8.270 nan 0.000 0.460 117 F N 0.452 120.518 119.950 0.195 0.000 2.645 117 F HA 0.328 4.855 4.527 -0.001 0.000 0.300 117 F C 1.029 176.898 175.800 0.115 0.000 1.115 117 F CA -0.487 57.605 58.000 0.153 0.000 1.355 117 F CB 0.620 39.608 39.000 -0.019 0.000 1.026 117 F HN -0.046 nan 8.300 nan 0.000 0.536 118 S N -0.305 115.515 115.700 0.201 0.000 2.540 118 S HA 0.211 4.681 4.470 -0.001 0.000 0.218 118 S C 0.436 175.106 174.600 0.116 0.000 0.977 118 S CA -0.143 58.138 58.200 0.135 0.000 0.918 118 S CB -0.003 63.246 63.200 0.081 0.000 0.806 118 S HN 0.085 nan 8.310 nan 0.000 0.496 119 V N -1.034 118.966 119.914 0.143 0.000 2.864 119 V HA 0.672 4.791 4.120 -0.001 0.000 0.314 119 V C -3.212 172.947 176.094 0.108 0.000 1.073 119 V CA -3.271 59.075 62.300 0.076 0.000 0.956 119 V CB 1.076 32.902 31.823 0.006 0.000 1.023 119 V HN -0.203 nan 8.190 nan 0.000 0.435 120 P HA 0.123 nan 4.420 nan 0.000 0.267 120 P C -1.396 175.909 177.300 0.007 0.000 1.201 120 P CA 0.465 63.459 63.100 -0.178 0.000 0.775 120 P CB 0.216 31.522 31.700 -0.657 0.000 0.854 121 W N 1.585 122.805 121.300 -0.134 0.000 2.736 121 W HA 0.419 5.078 4.660 -0.001 0.000 0.335 121 W C -0.959 175.546 176.519 -0.023 0.000 1.059 121 W CA 0.249 57.586 57.345 -0.015 0.000 1.226 121 W CB 0.903 30.424 29.460 0.102 0.000 1.416 121 W HN 0.390 nan 8.180 nan 0.000 0.505 122 W N 2.372 123.800 121.300 0.213 0.000 2.365 122 W HA 0.418 5.078 4.660 -0.001 0.000 0.316 122 W C -0.789 175.968 176.519 0.396 0.000 1.164 122 W CA -0.517 57.015 57.345 0.311 0.000 1.204 122 W CB 0.535 30.171 29.460 0.294 0.000 1.213 122 W HN 0.124 nan 8.180 nan 0.000 0.539 123 Y N 3.200 123.818 120.300 0.529 0.000 2.328 123 Y HA 0.427 4.976 4.550 -0.001 0.000 0.333 123 Y C 0.376 176.638 175.900 0.603 0.000 0.958 123 Y CA -1.065 57.278 58.100 0.405 0.000 1.167 123 Y CB 1.189 39.579 38.460 -0.117 0.000 1.151 123 Y HN 0.233 nan 8.280 nan 0.000 0.470 124 R N 1.992 122.938 120.500 0.743 0.000 2.670 124 R HA 0.713 5.052 4.340 -0.001 0.000 0.289 124 R C -1.387 175.204 176.300 0.485 0.000 0.965 124 R CA -0.380 56.051 56.100 0.551 0.000 0.899 124 R CB 2.186 32.657 30.300 0.286 0.000 1.173 124 R HN 0.671 nan 8.270 nan 0.000 0.456 125 T N 1.345 116.106 114.554 0.345 0.000 2.894 125 T HA 0.286 4.636 4.350 -0.001 0.000 0.309 125 T C -1.560 173.207 174.700 0.112 0.000 1.208 125 T CA -0.741 61.473 62.100 0.190 0.000 1.016 125 T CB 1.399 70.334 68.868 0.113 0.000 1.192 125 T HN 0.552 nan 8.240 nan 0.000 0.491 126 D N 2.107 122.544 120.400 0.062 0.000 2.312 126 D HA 0.525 5.164 4.640 -0.001 0.000 0.248 126 D C -0.391 175.934 176.300 0.041 0.000 1.086 126 D CA -0.137 53.890 54.000 0.045 0.000 0.948 126 D CB 1.291 42.109 40.800 0.030 0.000 1.162 126 D HN 0.368 nan 8.370 nan 0.000 0.446 127 L N 1.752 122.996 121.223 0.035 0.000 2.441 127 L HA 0.284 4.623 4.340 -0.001 0.000 0.270 127 L C -0.377 176.508 176.870 0.026 0.000 0.973 127 L CA -0.736 54.123 54.840 0.032 0.000 0.842 127 L CB 1.576 43.655 42.059 0.032 0.000 1.239 127 L HN 0.103 nan 8.230 nan 0.000 0.406 128 N N 2.059 120.777 118.700 0.031 0.000 2.470 128 N HA 0.299 5.038 4.740 -0.001 0.000 0.268 128 N C -0.885 174.644 175.510 0.032 0.000 1.136 128 N CA -0.184 52.886 53.050 0.034 0.000 0.961 128 N CB 1.534 40.041 38.487 0.034 0.000 1.067 128 N HN 0.169 nan 8.380 nan 0.000 0.468 129 V N 2.576 122.510 119.914 0.033 0.000 2.349 129 V HA 0.099 4.219 4.120 -0.001 0.000 0.284 129 V C 0.209 176.328 176.094 0.043 0.000 1.014 129 V CA -0.551 61.767 62.300 0.031 0.000 0.826 129 V CB 1.420 33.248 31.823 0.008 0.000 1.009 129 V HN 0.708 nan 8.190 nan 0.000 0.431 130 D N 2.486 122.910 120.400 0.040 0.000 2.224 130 D HA -0.005 4.635 4.640 -0.001 0.000 0.205 130 D C 0.450 176.774 176.300 0.039 0.000 0.965 130 D CA 1.328 55.352 54.000 0.039 0.000 0.852 130 D CB 0.413 41.234 40.800 0.035 0.000 0.947 130 D HN 0.700 nan 8.370 nan 0.000 0.494 131 D N -1.689 118.735 120.400 0.038 0.000 2.613 131 D HA 0.065 4.705 4.640 -0.001 0.000 0.230 131 D C 0.060 176.381 176.300 0.035 0.000 1.365 131 D CA -0.285 53.737 54.000 0.037 0.000 0.976 131 D CB 1.086 41.907 40.800 0.035 0.000 1.415 131 D HN -0.162 nan 8.370 nan 0.000 0.589 132 T N 0.081 114.656 114.554 0.034 0.000 3.163 132 T HA 0.094 4.444 4.350 -0.001 0.000 0.252 132 T C 1.634 176.350 174.700 0.026 0.000 1.056 132 T CA 0.253 62.369 62.100 0.027 0.000 0.947 132 T CB 0.282 69.168 68.868 0.030 0.000 1.016 132 T HN 0.165 nan 8.240 nan 0.000 0.554 133 S N 1.539 117.257 115.700 0.031 0.000 2.368 133 S HA -0.018 4.452 4.470 -0.001 0.000 0.225 133 S C 1.104 175.726 174.600 0.037 0.000 1.030 133 S CA 0.577 58.796 58.200 0.032 0.000 0.999 133 S CB -0.458 62.762 63.200 0.033 0.000 0.844 133 S HN 0.625 nan 8.310 nan 0.000 0.459 134 S N 2.135 117.861 115.700 0.044 0.000 2.565 134 S HA 0.326 4.795 4.470 -0.001 0.000 0.276 134 S C 0.108 174.737 174.600 0.049 0.000 1.326 134 S CA -0.563 57.673 58.200 0.060 0.000 1.045 134 S CB 0.709 63.952 63.200 0.073 0.000 0.918 134 S HN 0.408 nan 8.310 nan 0.000 0.505 135 R N 1.380 121.920 120.500 0.066 0.000 2.811 135 R HA 0.178 4.517 4.340 -0.001 0.000 0.265 135 R C -0.251 176.042 176.300 -0.012 0.000 1.026 135 R CA 0.359 56.462 56.100 0.005 0.000 1.142 135 R CB 0.038 30.391 30.300 0.088 0.000 1.027 135 R HN 0.504 nan 8.270 nan 0.000 0.465 136 T N 1.963 116.370 114.554 -0.245 0.000 2.881 136 T HA 0.468 4.818 4.350 -0.001 0.000 0.290 136 T C -1.229 173.239 174.700 -0.386 0.000 1.000 136 T CA -0.662 61.352 62.100 -0.143 0.000 0.978 136 T CB 0.776 69.603 68.868 -0.070 0.000 0.997 136 T HN 0.361 nan 8.240 nan 0.000 0.443 137 Y N 1.103 121.452 120.300 0.082 0.000 2.512 137 Y HA 0.597 5.147 4.550 -0.001 0.000 0.348 137 Y C -0.411 175.579 175.900 0.151 0.000 0.990 137 Y CA -1.354 56.809 58.100 0.105 0.000 1.033 137 Y CB 1.613 40.130 38.460 0.095 0.000 1.259 137 Y HN 0.395 nan 8.280 nan 0.000 0.461 138 L N 3.228 124.661 121.223 0.351 0.000 2.272 138 L HA 0.421 4.761 4.340 -0.001 0.000 0.289 138 L C -0.980 176.179 176.870 0.483 0.000 1.032 138 L CA -0.385 54.715 54.840 0.432 0.000 0.810 138 L CB 1.068 43.411 42.059 0.474 0.000 1.205 138 L HN 0.588 nan 8.230 nan 0.000 0.422 139 D N 4.751 125.412 120.400 0.436 0.000 2.549 139 D HA 0.563 5.203 4.640 -0.001 0.000 0.251 139 D C -1.102 175.406 176.300 0.347 0.000 1.153 139 D CA -0.100 54.061 54.000 0.268 0.000 0.861 139 D CB 1.147 42.047 40.800 0.166 0.000 1.207 139 D HN 0.236 nan 8.370 nan 0.000 0.543 140 F N 0.744 120.801 119.950 0.179 0.000 2.741 140 F HA 0.748 5.274 4.527 -0.001 0.000 0.313 140 F C -0.990 174.899 175.800 0.147 0.000 1.153 140 F CA -0.893 57.196 58.000 0.148 0.000 0.931 140 F CB 0.884 39.975 39.000 0.152 0.000 1.335 140 F HN 0.193 nan 8.300 nan 0.000 0.460 141 S N -1.027 114.850 115.700 0.295 0.000 2.757 141 S HA 0.713 5.182 4.470 -0.001 0.000 0.285 141 S C 0.157 174.868 174.600 0.186 0.000 1.196 141 S CA -0.451 57.876 58.200 0.211 0.000 0.856 141 S CB 0.843 64.093 63.200 0.083 0.000 1.212 141 S HN 2.666 nan 8.310 nan 0.000 0.516 142 G N -0.226 108.619 108.800 0.074 0.000 2.160 142 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.244 142 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.244 142 G C 0.111 174.970 174.900 -0.067 0.000 1.022 142 G CA 0.133 45.215 45.100 -0.030 0.000 0.741 142 G HN 2.030 nan 8.290 nan 0.000 0.508 143 V N -1.003 118.903 119.914 -0.012 0.000 2.408 143 V HA 0.764 4.883 4.120 -0.001 0.000 0.267 143 V C 0.482 176.527 176.094 -0.081 0.000 1.047 143 V CA -1.022 61.231 62.300 -0.078 0.000 0.937 143 V CB 1.268 33.090 31.823 -0.001 0.000 0.999 143 V HN 0.363 nan 8.190 nan 0.000 0.472 144 L N 5.504 126.660 121.223 -0.111 0.000 2.316 144 L HA 0.471 4.811 4.340 -0.001 0.000 0.280 144 L C 1.087 177.929 176.870 -0.047 0.000 1.006 144 L CA -0.205 54.585 54.840 -0.083 0.000 0.836 144 L CB 1.697 43.705 42.059 -0.085 0.000 1.221 144 L HN 0.884 nan 8.230 nan 0.000 0.418 145 S N 1.914 117.608 115.700 -0.010 0.000 2.492 145 S HA 0.134 4.604 4.470 -0.001 0.000 0.218 145 S C 0.379 174.955 174.600 -0.040 0.000 1.016 145 S CA -0.089 58.087 58.200 -0.039 0.000 0.916 145 S CB 0.264 63.439 63.200 -0.043 0.000 0.791 145 S HN 0.777 nan 8.310 nan 0.000 0.513 146 K N -0.670 119.731 120.400 0.001 0.000 2.685 146 K HA 0.734 5.053 4.320 -0.001 0.000 0.290 146 K C -1.843 174.812 176.600 0.091 0.000 1.018 146 K CA -0.933 55.344 56.287 -0.016 0.000 0.860 146 K CB 0.935 33.357 32.500 -0.130 0.000 1.498 146 K HN 0.247 nan 8.250 nan 0.000 0.390 147 A N 1.020 123.890 122.820 0.082 0.000 2.604 147 A HA 0.524 4.844 4.320 -0.001 0.000 0.295 147 A C -1.917 175.752 177.584 0.142 0.000 1.067 147 A CA -0.876 51.278 52.037 0.195 0.000 0.683 147 A CB 1.483 20.600 19.000 0.195 0.000 1.281 147 A HN 0.667 nan 8.150 nan 0.000 0.407 148 D N 1.043 121.566 120.400 0.206 0.000 2.210 148 D HA 0.476 5.115 4.640 -0.001 0.000 0.249 148 D C -0.413 175.936 176.300 0.082 0.000 1.078 148 D CA 0.152 54.217 54.000 0.109 0.000 0.875 148 D CB 1.813 42.752 40.800 0.231 0.000 1.175 148 D HN 0.221 nan 8.370 nan 0.000 0.440 149 V N 2.333 122.197 119.914 -0.082 0.000 2.459 149 V HA 0.406 4.525 4.120 -0.001 0.000 0.295 149 V C -0.727 175.240 176.094 -0.212 0.000 1.029 149 V CA -0.836 61.352 62.300 -0.187 0.000 0.874 149 V CB 1.242 32.929 31.823 -0.227 0.000 0.985 149 V HN 0.451 nan 8.190 nan 0.000 0.438 150 W N 2.859 124.081 121.300 -0.130 0.000 2.656 150 W HA 0.758 5.418 4.660 -0.001 0.000 0.327 150 W C -0.855 175.617 176.519 -0.079 0.000 1.041 150 W CA -0.683 56.641 57.345 -0.034 0.000 1.229 150 W CB 2.151 31.663 29.460 0.087 0.000 1.397 150 W HN 0.316 nan 8.180 nan 0.000 0.479 151 V N 4.171 124.175 119.914 0.149 0.000 2.483 151 V HA 0.263 4.383 4.120 -0.001 0.000 0.297 151 V C -0.080 176.074 176.094 0.099 0.000 1.027 151 V CA -1.307 61.039 62.300 0.077 0.000 0.855 151 V CB 1.505 33.330 31.823 0.004 0.000 0.995 151 V HN 0.714 nan 8.190 nan 0.000 0.424 152 N N 3.750 122.499 118.700 0.082 0.000 2.721 152 N HA -0.226 4.514 4.740 -0.001 0.000 0.249 152 N C 1.166 176.752 175.510 0.127 0.000 1.072 152 N CA 1.681 54.787 53.050 0.095 0.000 0.710 152 N CB -1.018 37.521 38.487 0.087 0.000 0.993 152 N HN 1.620 nan 8.380 nan 0.000 0.547 153 G N -2.816 106.086 108.800 0.170 0.000 2.175 153 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.244 153 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.244 153 G C 0.094 175.224 174.900 0.383 0.000 0.982 153 G CA 0.559 45.791 45.100 0.220 0.000 0.641 153 G HN 0.510 nan 8.290 nan 0.000 0.527 154 T N 1.022 115.759 114.554 0.306 0.000 2.797 154 T HA 0.503 4.853 4.350 -0.001 0.000 0.279 154 T C 0.023 174.665 174.700 -0.097 0.000 0.991 154 T CA -0.491 61.681 62.100 0.120 0.000 0.979 154 T CB 1.952 70.838 68.868 0.030 0.000 0.943 154 T HN 0.291 nan 8.240 nan 0.000 0.444 155 K N 3.301 123.319 120.400 -0.636 0.000 2.315 155 K HA 0.197 4.517 4.320 -0.001 0.000 0.291 155 K C 1.258 177.554 176.600 -0.507 0.000 1.074 155 K CA -0.244 55.357 56.287 -1.143 0.000 0.936 155 K CB 0.348 31.919 32.500 -1.550 0.000 1.049 155 K HN 0.529 nan 8.250 nan 0.000 0.471 156 V N 1.154 120.855 119.914 -0.354 0.000 3.235 156 V HA 0.338 4.458 4.120 -0.001 0.000 0.259 156 V C 0.334 176.339 176.094 -0.148 0.000 1.133 156 V CA 0.612 62.802 62.300 -0.184 0.000 1.128 156 V CB -0.167 31.597 31.823 -0.099 0.000 0.757 156 V HN 0.622 nan 8.190 nan 0.000 0.469 157 A N 0.213 122.917 122.820 -0.194 0.000 2.594 157 A HA 0.700 5.020 4.320 -0.001 0.000 0.296 157 A C -0.255 177.237 177.584 -0.154 0.000 1.061 157 A CA 0.143 52.106 52.037 -0.124 0.000 0.689 157 A CB 1.131 20.109 19.000 -0.037 0.000 1.280 157 A HN 0.707 nan 8.150 nan 0.000 0.406 158 T N -1.482 113.001 114.554 -0.118 0.000 2.949 158 T HA 0.505 4.854 4.350 -0.001 0.000 0.287 158 T C 0.888 175.527 174.700 -0.102 0.000 1.034 158 T CA -0.021 62.016 62.100 -0.106 0.000 1.018 158 T CB 1.343 70.150 68.868 -0.103 0.000 1.135 158 T HN 0.942 nan 8.240 nan 0.000 0.532 159 K N 0.221 120.540 120.400 -0.135 0.000 2.442 159 K HA -0.100 4.219 4.320 -0.001 0.000 0.199 159 K C 0.848 177.325 176.600 -0.205 0.000 1.044 159 K CA 1.362 57.515 56.287 -0.224 0.000 0.941 159 K CB -0.203 31.965 32.500 -0.554 0.000 0.759 159 K HN 0.465 nan 8.250 nan 0.000 0.472 160 D N 0.933 121.237 120.400 -0.161 0.000 2.234 160 D HA -0.124 4.515 4.640 -0.001 0.000 0.205 160 D C 1.892 178.136 176.300 -0.093 0.000 0.962 160 D CA 0.971 54.894 54.000 -0.129 0.000 0.855 160 D CB 0.196 40.932 40.800 -0.107 0.000 0.951 160 D HN 0.502 nan 8.370 nan 0.000 0.500 161 Q N 0.313 120.064 119.800 -0.082 0.000 2.178 161 Q HA 0.013 4.352 4.340 -0.001 0.000 0.195 161 Q C 0.312 176.277 176.000 -0.058 0.000 0.960 161 Q CA 0.385 56.162 55.803 -0.043 0.000 0.843 161 Q CB 0.673 29.389 28.738 -0.037 0.000 0.927 161 Q HN -0.082 nan 8.270 nan 0.000 0.487 162 V N 3.320 123.130 119.914 -0.174 0.000 2.287 162 V HA 0.197 4.317 4.120 -0.001 0.000 0.246 162 V C -0.453 175.558 176.094 -0.139 0.000 1.165 162 V CA -0.175 61.899 62.300 -0.377 0.000 1.088 162 V CB -0.092 31.587 31.823 -0.240 0.000 1.242 162 V HN 0.270 nan 8.190 nan 0.000 0.497 163 N N 3.433 122.116 118.700 -0.028 0.000 2.503 163 N HA 0.556 5.295 4.740 -0.001 0.000 0.287 163 N C -0.485 175.026 175.510 0.001 0.000 1.096 163 N CA 0.586 53.612 53.050 -0.040 0.000 0.936 163 N CB 2.147 40.576 38.487 -0.096 0.000 1.570 163 N HN 0.795 nan 8.380 nan 0.000 0.504 164 G N 1.582 110.362 108.800 -0.033 0.000 3.067 164 G HA2 0.151 4.110 3.960 -0.001 0.000 0.686 164 G HA3 0.151 4.110 3.960 -0.001 0.000 0.686 164 G C 0.676 175.591 174.900 0.025 0.000 1.119 164 G CA -0.081 45.000 45.100 -0.031 0.000 0.790 164 G HN 0.807 nan 8.290 nan 0.000 0.605 165 A N 1.646 124.430 122.820 -0.060 0.000 1.978 165 A HA 0.084 4.403 4.320 -0.001 0.000 0.220 165 A C 1.752 179.207 177.584 -0.215 0.000 1.170 165 A CA 2.405 54.316 52.037 -0.210 0.000 0.636 165 A CB -0.282 18.451 19.000 -0.445 0.000 0.810 165 A HN 1.143 nan 8.150 nan 0.000 0.448 166 Y N 0.530 120.919 120.300 0.148 0.000 2.462 166 Y HA 0.099 4.648 4.550 -0.001 0.000 0.261 166 Y C 1.344 177.297 175.900 0.088 0.000 1.146 166 Y CA 0.328 58.519 58.100 0.151 0.000 1.283 166 Y CB -0.009 38.606 38.460 0.260 0.000 1.090 166 Y HN 0.286 nan 8.280 nan 0.000 0.526 167 T N -0.308 114.349 114.554 0.171 0.000 2.884 167 T HA 0.234 4.584 4.350 -0.001 0.000 0.298 167 T C -0.137 174.405 174.700 -0.263 0.000 0.998 167 T CA -0.851 61.240 62.100 -0.015 0.000 1.124 167 T CB 1.688 70.549 68.868 -0.012 0.000 0.931 167 T HN 0.217 nan 8.240 nan 0.000 0.531 168 R N 1.792 122.043 120.500 -0.415 0.000 2.474 168 R HA 0.367 4.706 4.340 -0.001 0.000 0.295 168 R C -0.788 174.987 176.300 -0.874 0.000 0.980 168 R CA -0.745 55.078 56.100 -0.461 0.000 0.934 168 R CB 0.676 30.869 30.300 -0.178 0.000 1.101 168 R HN 0.816 nan 8.270 nan 0.000 0.469 169 H N 1.913 120.723 119.070 -0.434 0.000 2.679 169 H HA 0.194 4.750 4.556 -0.001 0.000 0.360 169 H C -1.270 173.864 175.328 -0.323 0.000 1.105 169 H CA -0.788 54.986 56.048 -0.457 0.000 1.196 169 H CB 2.287 31.581 29.762 -0.779 0.000 1.636 169 H HN 0.570 nan 8.280 nan 0.000 0.531 170 D N 3.890 124.281 120.400 -0.016 0.000 2.378 170 D HA 0.222 4.862 4.640 -0.001 0.000 0.265 170 D C -0.841 175.572 176.300 0.188 0.000 1.229 170 D CA -0.390 53.657 54.000 0.080 0.000 0.914 170 D CB 0.112 40.928 40.800 0.028 0.000 1.140 170 D HN 0.362 nan 8.370 nan 0.000 0.516 171 L N 2.041 123.415 121.223 0.251 0.000 2.264 171 L HA 0.375 4.714 4.340 -0.001 0.000 0.289 171 L C 0.404 177.401 176.870 0.211 0.000 1.044 171 L CA -0.913 54.059 54.840 0.220 0.000 0.807 171 L CB 1.287 43.479 42.059 0.221 0.000 1.192 171 L HN 0.186 nan 8.230 nan 0.000 0.425 172 D N 4.717 125.194 120.400 0.128 0.000 2.338 172 D HA 0.146 4.785 4.640 -0.001 0.000 0.255 172 D C 0.600 176.806 176.300 -0.156 0.000 1.237 172 D CA -0.106 53.797 54.000 -0.163 0.000 0.883 172 D CB 1.061 41.808 40.800 -0.088 0.000 1.087 172 D HN 0.554 nan 8.370 nan 0.000 0.485 173 I N 0.668 121.113 120.570 -0.209 0.000 3.927 173 I HA 0.139 4.308 4.170 -0.001 0.000 0.332 173 I C 1.085 177.118 176.117 -0.140 0.000 1.485 173 I CA -0.500 60.728 61.300 -0.119 0.000 1.131 173 I CB 0.301 38.269 38.000 -0.053 0.000 1.092 173 I HN 0.005 nan 8.210 nan 0.000 0.410 174 T N 1.708 116.139 114.554 -0.205 0.000 2.699 174 T HA -0.187 4.162 4.350 -0.001 0.000 0.268 174 T C 2.098 176.748 174.700 -0.084 0.000 1.036 174 T CA 2.076 64.082 62.100 -0.156 0.000 1.147 174 T CB -0.132 68.629 68.868 -0.178 0.000 0.862 174 T HN 0.644 nan 8.240 nan 0.000 0.446 175 A N 0.791 123.570 122.820 -0.069 0.000 2.015 175 A HA -0.092 4.228 4.320 -0.001 0.000 0.219 175 A C 2.225 179.797 177.584 -0.019 0.000 1.163 175 A CA 1.266 53.283 52.037 -0.035 0.000 0.646 175 A CB -0.390 18.592 19.000 -0.029 0.000 0.806 175 A HN 0.410 nan 8.150 nan 0.000 0.448 176 Q N -0.928 118.852 119.800 -0.034 0.000 2.376 176 Q HA 0.203 4.543 4.340 -0.001 0.000 0.206 176 Q C 0.337 176.301 176.000 -0.060 0.000 0.921 176 Q CA 0.253 56.042 55.803 -0.022 0.000 0.911 176 Q CB 0.090 28.813 28.738 -0.025 0.000 1.032 176 Q HN 0.368 nan 8.270 nan 0.000 0.510 177 V N 2.999 122.858 119.914 -0.092 0.000 2.614 177 V HA 0.124 4.244 4.120 -0.001 0.000 0.291 177 V C 0.146 176.177 176.094 -0.105 0.000 1.049 177 V CA -0.246 61.953 62.300 -0.168 0.000 1.038 177 V CB 0.438 32.192 31.823 -0.115 0.000 0.980 177 V HN 0.408 nan 8.190 nan 0.000 0.481 178 H N 1.250 120.326 119.070 0.010 0.000 2.907 178 H HA 0.690 5.246 4.556 -0.001 0.000 0.361 178 H C -0.015 175.321 175.328 0.013 0.000 1.194 178 H CA -0.601 55.453 56.048 0.010 0.000 1.152 178 H CB 1.694 31.462 29.762 0.010 0.000 1.867 178 H HN 0.630 nan 8.280 nan 0.000 0.561 179 T N 0.071 114.761 114.554 0.226 0.000 2.916 179 T HA 0.441 4.791 4.350 -0.001 0.000 0.303 179 T C 1.145 175.964 174.700 0.200 0.000 1.025 179 T CA 1.135 63.325 62.100 0.148 0.000 1.142 179 T CB -0.405 nan 68.868 nan 0.000 0.947 179 T HN 1.116 nan 8.240 nan 0.000 0.544 180 G N 0.950 109.828 108.800 0.130 0.000 2.481 180 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.230 180 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.230 180 G C -0.154 174.821 174.900 0.125 0.000 1.210 180 G CA -0.198 44.971 45.100 0.115 0.000 0.936 180 G HN 1.430 nan 8.290 nan 0.000 0.583 181 V N 3.153 123.147 119.914 0.132 0.000 2.439 181 V HA 0.342 4.461 4.120 -0.001 0.000 0.271 181 V C 0.610 176.804 176.094 0.165 0.000 1.040 181 V CA -0.124 62.242 62.300 0.110 0.000 1.002 181 V CB 0.585 32.454 31.823 0.077 0.000 1.000 181 V HN 0.590 nan 8.190 nan 0.000 0.477 182 N N 2.800 121.528 118.700 0.046 0.000 2.432 182 N HA 0.616 5.355 4.740 -0.001 0.000 0.292 182 N C -0.839 174.677 175.510 0.011 0.000 1.193 182 N CA -0.533 52.491 53.050 -0.044 0.000 0.878 182 N CB 2.214 40.597 38.487 -0.172 0.000 1.252 182 N HN 0.573 nan 8.380 nan 0.000 0.520 183 S N 0.314 116.020 115.700 0.010 0.000 2.541 183 S HA 0.560 5.029 4.470 -0.001 0.000 0.280 183 S C -0.800 173.827 174.600 0.044 0.000 1.112 183 S CA -0.650 57.571 58.200 0.034 0.000 0.925 183 S CB 2.140 65.355 63.200 0.025 0.000 1.067 183 S HN 0.247 nan 8.310 nan 0.000 0.479 184 V N 1.394 121.360 119.914 0.085 0.000 2.709 184 V HA 0.933 5.053 4.120 -0.001 0.000 0.308 184 V C -0.568 175.631 176.094 0.175 0.000 1.062 184 V CA -0.564 61.791 62.300 0.092 0.000 0.901 184 V CB 1.689 33.572 31.823 0.100 0.000 1.003 184 V HN 1.071 nan 8.190 nan 0.000 0.425 185 A N 4.030 126.941 122.820 0.150 0.000 2.427 185 A HA 0.895 5.215 4.320 -0.001 0.000 0.298 185 A C -1.428 176.343 177.584 0.312 0.000 1.036 185 A CA -0.375 51.884 52.037 0.370 0.000 0.701 185 A CB 1.135 20.356 19.000 0.369 0.000 1.250 185 A HN 0.612 nan 8.150 nan 0.000 0.412 186 F N 1.518 121.696 119.950 0.381 0.000 2.436 186 F HA 0.488 5.014 4.527 -0.001 0.000 0.340 186 F C 0.685 176.474 175.800 -0.020 0.000 1.113 186 F CA -0.377 57.712 58.000 0.149 0.000 1.022 186 F CB 2.114 41.076 39.000 -0.064 0.000 1.128 186 F HN 0.533 nan 8.300 nan 0.000 0.466 187 K N 4.000 124.256 120.400 -0.240 0.000 2.266 187 K HA 0.469 4.789 4.320 -0.001 0.000 0.274 187 K C -1.276 175.163 176.600 -0.269 0.000 1.090 187 K CA -0.341 55.452 56.287 -0.823 0.000 0.925 187 K CB 0.748 32.440 32.500 -1.346 0.000 1.225 187 K HN 0.503 nan 8.250 nan 0.000 0.458 188 V N 5.906 125.736 119.914 -0.140 0.000 2.406 188 V HA 0.183 4.302 4.120 -0.001 0.000 0.272 188 V C -0.262 175.823 176.094 -0.016 0.000 1.043 188 V CA -0.659 61.645 62.300 0.006 0.000 0.915 188 V CB 0.126 31.939 31.823 -0.017 0.000 0.988 188 V HN 0.586 nan 8.190 nan 0.000 0.466 189 Y N 5.403 125.689 120.300 -0.023 0.000 2.300 189 Y HA 0.301 4.850 4.550 -0.001 0.000 0.328 189 Y C -1.732 174.184 175.900 0.027 0.000 1.270 189 Y CA -2.165 55.937 58.100 0.003 0.000 1.352 189 Y CB 0.549 38.997 38.460 -0.020 0.000 1.286 189 Y HN 0.460 nan 8.280 nan 0.000 0.536 190 P HA -0.104 nan 4.420 nan 0.000 0.265 190 P C -0.981 176.371 177.300 0.086 0.000 1.187 190 P CA 0.236 63.415 63.100 0.132 0.000 0.766 190 P CB 0.428 32.209 31.700 0.136 0.000 0.820 191 N N 1.920 120.646 118.700 0.044 0.000 2.425 191 N HA 0.222 4.961 4.740 -0.001 0.000 0.268 191 N C -1.327 174.183 175.510 0.000 0.000 0.991 191 N CA -0.292 52.761 53.050 0.004 0.000 0.931 191 N CB 0.348 38.826 38.487 -0.016 0.000 1.130 191 N HN 0.165 nan 8.380 nan 0.000 0.493 192 D N 4.228 124.616 120.400 -0.021 0.000 2.462 192 D HA 0.364 5.004 4.640 -0.001 0.000 0.245 192 D C -1.968 174.297 176.300 -0.058 0.000 1.122 192 D CA -2.276 51.708 54.000 -0.028 0.000 0.864 192 D CB 1.824 42.609 40.800 -0.023 0.000 1.098 192 D HN 0.336 nan 8.370 nan 0.000 0.541 193 P HA -0.070 nan 4.420 nan 0.000 0.221 193 P C 0.443 177.701 177.300 -0.070 0.000 1.145 193 P CA 0.975 64.034 63.100 -0.069 0.000 0.795 193 P CB 0.300 31.959 31.700 -0.068 0.000 0.775 194 N N -0.920 117.747 118.700 -0.056 0.000 2.416 194 N HA -0.020 4.719 4.740 -0.001 0.000 0.177 194 N C 1.967 177.427 175.510 -0.083 0.000 1.036 194 N CA 0.166 53.186 53.050 -0.050 0.000 0.901 194 N CB -0.073 38.397 38.487 -0.028 0.000 0.976 194 N HN 0.082 nan 8.380 nan 0.000 0.444 195 R N 0.364 120.799 120.500 -0.108 0.000 2.221 195 R HA 0.102 4.441 4.340 -0.001 0.000 0.195 195 R C -0.750 175.415 176.300 -0.225 0.000 0.956 195 R CA 0.382 56.398 56.100 -0.139 0.000 1.064 195 R CB 0.578 30.819 30.300 -0.099 0.000 1.049 195 R HN 0.064 nan 8.270 nan 0.000 0.534 196 D N 1.401 121.667 120.400 -0.222 0.000 2.163 196 D HA 0.170 4.810 4.640 -0.001 0.000 0.248 196 D C -0.472 175.587 176.300 -0.402 0.000 1.035 196 D CA -0.392 53.439 54.000 -0.283 0.000 0.872 196 D CB 2.139 42.828 40.800 -0.185 0.000 1.183 196 D HN 0.102 nan 8.370 nan 0.000 0.445 197 L N 2.069 122.949 121.223 -0.571 0.000 2.415 197 L HA 0.096 4.435 4.340 -0.001 0.000 0.269 197 L C 0.928 177.628 176.870 -0.284 0.000 1.244 197 L CA 0.270 54.557 54.840 -0.923 0.000 1.113 197 L CB -0.220 41.102 42.059 -1.229 0.000 1.352 197 L HN 0.241 nan 8.230 nan 0.000 0.433 198 S N 2.048 117.750 115.700 0.003 0.000 4.199 198 S HA 0.683 5.152 4.470 -0.001 0.000 0.257 198 S C -0.678 174.012 174.600 0.151 0.000 1.079 198 S CA -0.590 57.642 58.200 0.054 0.000 1.498 198 S CB 1.024 64.175 63.200 -0.082 0.000 1.260 198 S HN 0.357 nan 8.310 nan 0.000 0.749 199 M N 1.041 120.581 119.600 -0.099 0.000 2.393 199 M HA 0.637 5.117 4.480 -0.001 0.000 0.299 199 M C -0.167 175.916 176.300 -0.362 0.000 1.103 199 M CA -0.690 54.412 55.300 -0.330 0.000 0.910 199 M CB 2.018 34.330 32.600 -0.481 0.000 1.659 199 M HN 0.697 nan 8.290 nan 0.000 0.445 200 G N 0.463 108.977 108.800 -0.477 0.000 2.818 200 G HA2 0.623 4.582 3.960 -0.001 0.000 0.286 200 G HA3 0.623 4.582 3.960 -0.001 0.000 0.286 200 G C -1.512 173.009 174.900 -0.631 0.000 1.364 200 G CA -0.508 44.342 45.100 -0.418 0.000 0.938 200 G HN 0.951 nan 8.290 nan 0.000 0.490 201 W N 0.060 121.263 121.300 -0.162 0.000 3.132 201 W HA 0.389 5.049 4.660 -0.001 0.000 0.364 201 W C 1.401 177.630 176.519 -0.484 0.000 1.129 201 W CA -0.302 56.849 57.345 -0.324 0.000 1.815 201 W CB -0.337 28.977 29.460 -0.243 0.000 1.099 201 W HN 0.510 nan 8.180 nan 0.000 0.605 202 I N 0.854 121.294 120.570 -0.217 0.000 4.906 202 I HA -0.508 3.661 4.170 -0.001 0.000 0.038 202 I C 1.331 177.482 176.117 0.057 0.000 0.635 202 I CA 2.139 63.357 61.300 -0.136 0.000 0.215 202 I CB -0.878 36.955 38.000 -0.278 0.000 0.324 202 I HN 0.069 nan 8.210 nan 0.000 0.150 203 D N -1.041 119.498 120.400 0.231 0.000 2.563 203 D HA 0.087 4.726 4.640 -0.001 0.000 0.237 203 D C 0.864 177.502 176.300 0.564 0.000 1.282 203 D CA -0.260 53.976 54.000 0.393 0.000 0.816 203 D CB -0.325 40.799 40.800 0.540 0.000 1.066 203 D HN 0.559 nan 8.370 nan 0.000 0.501 204 W N 1.855 123.355 121.300 0.333 0.000 2.425 204 W HA 0.481 5.140 4.660 -0.001 0.000 0.277 204 W C 1.191 177.778 176.519 0.115 0.000 1.231 204 W CA 0.517 58.047 57.345 0.308 0.000 1.248 204 W CB -0.539 29.060 29.460 0.231 0.000 1.117 204 W HN 0.254 nan 8.180 nan 0.000 0.568 205 A N -1.314 121.570 122.820 0.106 0.000 4.729 205 A HA 0.565 4.884 4.320 -0.001 0.000 0.170 205 A C -0.653 176.647 177.584 -0.473 0.000 0.741 205 A CA -0.466 51.369 52.037 -0.336 0.000 0.936 205 A CB 0.509 18.934 19.000 -0.958 0.000 1.982 205 A HN -0.163 nan 8.150 nan 0.000 0.938 206 Q N 0.427 119.662 119.800 -0.941 0.000 2.387 206 Q HA 0.495 4.835 4.340 -0.001 0.000 0.273 206 Q C -1.249 174.408 176.000 -0.572 0.000 1.089 206 Q CA -0.502 54.884 55.803 -0.695 0.000 0.824 206 Q CB 1.638 29.833 28.738 -0.905 0.000 1.367 206 Q HN 0.659 nan 8.270 nan 0.000 0.443 207 T N 3.954 118.342 114.554 -0.277 0.000 2.817 207 T HA 0.191 4.540 4.350 -0.001 0.000 0.295 207 T C -2.188 172.416 174.700 -0.160 0.000 0.958 207 T CA -0.803 61.203 62.100 -0.157 0.000 1.157 207 T CB -0.039 68.801 68.868 -0.047 0.000 0.898 207 T HN 0.253 nan 8.240 nan 0.000 0.536 208 P HA 0.145 nan 4.420 nan 0.000 0.268 208 P C -2.104 175.093 177.300 -0.172 0.000 1.204 208 P CA -1.545 61.536 63.100 -0.031 0.000 0.768 208 P CB 0.322 32.099 31.700 0.128 0.000 0.842 209 P HA -0.165 nan 4.420 nan 0.000 0.218 209 P C 0.853 177.978 177.300 -0.292 0.000 1.148 209 P CA 1.545 64.445 63.100 -0.332 0.000 0.822 209 P CB -0.079 31.314 31.700 -0.511 0.000 0.784 210 D N -1.573 118.403 120.400 -0.707 0.000 2.339 210 D HA -0.030 4.609 4.640 -0.001 0.000 0.217 210 D C 0.704 176.845 176.300 -0.266 0.000 1.050 210 D CA -0.041 53.463 54.000 -0.827 0.000 0.856 210 D CB -0.785 39.208 40.800 -1.346 0.000 0.922 210 D HN 0.027 nan 8.370 nan 0.000 0.518 211 Q N 0.184 119.906 119.800 -0.129 0.000 2.481 211 Q HA -0.266 4.074 4.340 -0.001 0.000 0.272 211 Q C -0.551 175.461 176.000 0.020 0.000 1.157 211 Q CA 0.839 56.640 55.803 -0.004 0.000 0.935 211 Q CB -1.688 27.053 28.738 0.005 0.000 1.338 211 Q HN 0.328 nan 8.270 nan 0.000 0.494 212 N N -2.021 116.693 118.700 0.024 0.000 2.753 212 N HA -0.232 4.507 4.740 -0.001 0.000 0.251 212 N C 0.166 175.668 175.510 -0.014 0.000 1.097 212 N CA 1.696 54.783 53.050 0.063 0.000 0.786 212 N CB -1.887 36.695 38.487 0.160 0.000 1.137 212 N HN 0.766 nan 8.380 nan 0.000 0.566 213 M N -0.920 118.638 119.600 -0.070 0.000 2.249 213 M HA 0.419 4.899 4.480 -0.001 0.000 0.340 213 M C 0.975 177.235 176.300 -0.066 0.000 1.166 213 M CA 1.140 56.403 55.300 -0.062 0.000 1.115 213 M CB 0.823 33.401 32.600 -0.037 0.000 1.606 213 M HN 0.225 nan 8.290 nan 0.000 0.448 214 G N 2.963 111.693 108.800 -0.117 0.000 2.320 214 G HA2 0.266 4.225 3.960 -0.001 0.000 0.274 214 G HA3 0.266 4.225 3.960 -0.001 0.000 0.274 214 G C -1.693 172.931 174.900 -0.460 0.000 1.324 214 G CA -1.003 43.931 45.100 -0.275 0.000 0.957 214 G HN 0.867 nan 8.290 nan 0.000 0.481 215 I N 1.598 121.800 120.570 -0.613 0.000 2.420 215 I HA 0.363 4.533 4.170 -0.001 0.000 0.282 215 I C 1.117 177.106 176.117 -0.213 0.000 1.019 215 I CA -0.814 60.192 61.300 -0.489 0.000 1.130 215 I CB 1.839 39.355 38.000 -0.805 0.000 1.262 215 I HN 0.664 nan 8.210 nan 0.000 0.454 216 V N 2.181 122.027 119.914 -0.112 0.000 3.621 216 V HA 0.408 4.527 4.120 -0.001 0.000 0.285 216 V C 0.784 176.872 176.094 -0.010 0.000 1.346 216 V CA 0.271 62.563 62.300 -0.014 0.000 1.104 216 V CB -0.643 31.190 31.823 0.016 0.000 0.913 216 V HN 0.669 nan 8.190 nan 0.000 0.432 217 R N -0.235 120.248 120.500 -0.028 0.000 3.018 217 R HA 0.536 4.875 4.340 -0.001 0.000 0.243 217 R C -1.033 175.282 176.300 0.025 0.000 1.315 217 R CA -0.971 55.115 56.100 -0.025 0.000 1.039 217 R CB 0.624 30.921 30.300 -0.005 0.000 1.315 217 R HN 0.183 nan 8.270 nan 0.000 0.492 218 D N 0.631 121.059 120.400 0.047 0.000 2.341 218 D HA 0.170 4.810 4.640 -0.001 0.000 0.245 218 D C -0.573 175.822 176.300 0.159 0.000 1.106 218 D CA -0.018 54.047 54.000 0.108 0.000 0.905 218 D CB 1.367 42.227 40.800 0.100 0.000 1.202 218 D HN -0.004 nan 8.370 nan 0.000 0.426 219 V N 2.855 122.885 119.914 0.192 0.000 2.370 219 V HA 0.256 4.376 4.120 -0.001 0.000 0.279 219 V C 0.337 176.584 176.094 0.255 0.000 1.029 219 V CA -0.661 61.794 62.300 0.259 0.000 0.870 219 V CB 0.976 32.926 31.823 0.212 0.000 0.984 219 V HN 0.269 nan 8.190 nan 0.000 0.451 220 L N 5.326 126.714 121.223 0.275 0.000 2.289 220 L HA 0.521 4.860 4.340 -0.001 0.000 0.285 220 L C -0.315 176.696 176.870 0.234 0.000 1.049 220 L CA -0.722 54.247 54.840 0.215 0.000 0.804 220 L CB 1.769 43.935 42.059 0.179 0.000 1.195 220 L HN 0.356 nan 8.230 nan 0.000 0.428 221 V N 4.086 124.113 119.914 0.189 0.000 2.368 221 V HA 0.346 4.465 4.120 -0.001 0.000 0.266 221 V C 0.286 176.483 176.094 0.171 0.000 1.045 221 V CA -0.534 61.875 62.300 0.182 0.000 0.899 221 V CB 0.576 32.484 31.823 0.142 0.000 1.006 221 V HN 0.688 nan 8.190 nan 0.000 0.470 222 R N 5.001 125.629 120.500 0.214 0.000 2.474 222 R HA 0.715 5.055 4.340 -0.001 0.000 0.295 222 R C -0.645 175.811 176.300 0.259 0.000 0.980 222 R CA -0.887 55.337 56.100 0.206 0.000 0.934 222 R CB 1.733 32.139 30.300 0.177 0.000 1.101 222 R HN 0.531 nan 8.270 nan 0.000 0.469 223 R N 1.004 121.621 120.500 0.194 0.000 2.686 223 R HA 0.507 4.846 4.340 -0.001 0.000 0.286 223 R C -0.802 175.597 176.300 0.166 0.000 0.969 223 R CA -0.737 55.475 56.100 0.187 0.000 0.898 223 R CB 2.097 32.468 30.300 0.119 0.000 1.183 223 R HN 0.943 nan 8.270 nan 0.000 0.456 224 S N -1.072 114.744 115.700 0.193 0.000 2.611 224 S HA 0.643 5.112 4.470 -0.001 0.000 0.268 224 S C 0.128 174.815 174.600 0.144 0.000 1.156 224 S CA -0.543 57.743 58.200 0.144 0.000 0.817 224 S CB 1.715 64.982 63.200 0.111 0.000 1.122 224 S HN 0.613 nan 8.310 nan 0.000 0.466 225 G N 0.626 109.488 108.800 0.102 0.000 2.679 225 G HA2 0.488 4.447 3.960 -0.001 0.000 0.202 225 G HA3 0.488 4.447 3.960 -0.001 0.000 0.202 225 G C 1.291 176.253 174.900 0.104 0.000 1.566 225 G CA -0.097 45.057 45.100 0.089 0.000 1.074 225 G HN 1.431 nan 8.290 nan 0.000 0.564 226 A N -1.680 121.186 122.820 0.077 0.000 1.972 226 A HA 0.256 4.576 4.320 -0.001 0.000 0.219 226 A C 0.919 178.552 177.584 0.081 0.000 1.169 226 A CA 1.155 53.237 52.037 0.075 0.000 0.635 226 A CB -0.359 18.671 19.000 0.051 0.000 0.810 226 A HN 0.409 nan 8.150 nan 0.000 0.446 227 V N -0.163 119.790 119.914 0.065 0.000 2.448 227 V HA 0.613 4.732 4.120 -0.001 0.000 0.295 227 V C 0.148 176.256 176.094 0.024 0.000 1.025 227 V CA -0.461 61.865 62.300 0.044 0.000 0.859 227 V CB 1.175 33.017 31.823 0.031 0.000 0.988 227 V HN 0.472 nan 8.190 nan 0.000 0.431 228 A N 5.075 127.885 122.820 -0.016 0.000 2.301 228 A HA 0.816 5.135 4.320 -0.001 0.000 0.312 228 A C -0.908 176.637 177.584 -0.065 0.000 1.182 228 A CA -0.435 51.537 52.037 -0.108 0.000 0.826 228 A CB 0.973 19.797 19.000 -0.294 0.000 1.134 228 A HN 0.764 nan 8.150 nan 0.000 0.501 229 L N 2.197 123.388 121.223 -0.055 0.000 2.295 229 L HA 0.851 5.191 4.340 -0.001 0.000 0.285 229 L C -0.086 176.771 176.870 -0.023 0.000 1.035 229 L CA -0.036 54.795 54.840 -0.015 0.000 0.806 229 L CB 1.216 43.282 42.059 0.010 0.000 1.214 229 L HN 0.822 nan 8.230 nan 0.000 0.426 230 R N 2.095 122.598 120.500 0.005 0.000 2.643 230 R HA 0.458 4.798 4.340 -0.001 0.000 0.269 230 R C -0.099 176.233 176.300 0.054 0.000 1.037 230 R CA 0.076 56.182 56.100 0.010 0.000 0.894 230 R CB 1.879 32.172 30.300 -0.012 0.000 1.238 230 R HN 0.634 nan 8.270 nan 0.000 0.459 231 S N 0.642 116.374 115.700 0.055 0.000 3.587 231 S HA -0.207 4.262 4.470 -0.001 0.000 0.337 231 S C -0.366 174.339 174.600 0.175 0.000 1.119 231 S CA 0.591 58.839 58.200 0.080 0.000 0.976 231 S CB -0.955 62.308 63.200 0.105 0.000 0.922 231 S HN 0.788 nan 8.310 nan 0.000 0.503 232 A N 2.445 125.337 122.820 0.122 0.000 2.492 232 A HA 0.532 4.852 4.320 -0.001 0.000 0.254 232 A C 0.286 177.951 177.584 0.136 0.000 1.091 232 A CA 0.614 52.715 52.037 0.107 0.000 0.768 232 A CB 0.114 19.136 19.000 0.037 0.000 1.028 232 A HN 0.932 nan 8.150 nan 0.000 0.498 233 H N -0.725 118.295 119.070 -0.083 0.000 2.990 233 H HA 0.678 5.233 4.556 -0.001 0.000 0.336 233 H C -2.014 173.179 175.328 -0.225 0.000 1.306 233 H CA -1.315 54.652 56.048 -0.136 0.000 1.118 233 H CB 0.972 30.666 29.762 -0.115 0.000 1.856 233 H HN 0.407 nan 8.280 nan 0.000 0.538 234 V N 2.374 122.094 119.914 -0.322 0.000 2.409 234 V HA 0.265 4.384 4.120 -0.001 0.000 0.290 234 V C 0.471 176.332 176.094 -0.388 0.000 1.017 234 V CA -0.617 61.343 62.300 -0.568 0.000 0.841 234 V CB 1.101 32.198 31.823 -1.210 0.000 1.003 234 V HN 0.569 nan 8.190 nan 0.000 0.426 235 I N 5.547 125.939 120.570 -0.297 0.000 2.471 235 I HA 0.304 4.473 4.170 -0.001 0.000 0.286 235 I C 0.219 176.216 176.117 -0.200 0.000 1.079 235 I CA 0.172 61.366 61.300 -0.176 0.000 1.398 235 I CB 1.069 39.000 38.000 -0.114 0.000 1.403 235 I HN 0.810 nan 8.210 nan 0.000 0.530 236 Q N 6.216 125.930 119.800 -0.145 0.000 2.356 236 Q HA 0.710 5.049 4.340 -0.001 0.000 0.270 236 Q C -0.968 174.986 176.000 -0.075 0.000 1.058 236 Q CA -1.116 54.621 55.803 -0.110 0.000 0.802 236 Q CB 2.208 30.927 28.738 -0.031 0.000 1.303 236 Q HN 0.356 nan 8.270 nan 0.000 0.444 237 K N 2.232 122.589 120.400 -0.073 0.000 2.601 237 K HA 0.540 4.859 4.320 -0.001 0.000 0.249 237 K C -2.041 174.529 176.600 -0.049 0.000 0.966 237 K CA -0.633 55.623 56.287 -0.053 0.000 0.827 237 K CB 1.375 33.848 32.500 -0.044 0.000 1.178 237 K HN 0.680 nan 8.250 nan 0.000 0.437 238 L N 4.129 125.334 121.223 -0.031 0.000 2.334 238 L HA 0.542 4.882 4.340 -0.001 0.000 0.275 238 L C -0.432 176.448 176.870 0.015 0.000 1.036 238 L CA -0.223 54.607 54.840 -0.018 0.000 0.807 238 L CB 1.127 43.175 42.059 -0.019 0.000 1.231 238 L HN 0.938 nan 8.230 nan 0.000 0.438 239 N N 0.934 119.665 118.700 0.052 0.000 2.354 239 N HA -0.000 4.739 4.740 -0.001 0.000 0.246 239 N C 0.801 176.343 175.510 0.053 0.000 1.285 239 N CA 0.354 53.443 53.050 0.066 0.000 0.925 239 N CB 0.087 38.635 38.487 0.100 0.000 1.174 239 N HN 0.609 nan 8.380 nan 0.000 0.478 240 S N -1.216 114.514 115.700 0.050 0.000 2.447 240 S HA -0.087 4.383 4.470 -0.001 0.000 0.233 240 S C 1.708 176.349 174.600 0.068 0.000 1.006 240 S CA 0.565 58.797 58.200 0.052 0.000 0.957 240 S CB -0.761 62.467 63.200 0.047 0.000 0.773 240 S HN 0.779 nan 8.310 nan 0.000 0.507 241 A N 1.567 124.430 122.820 0.072 0.000 2.119 241 A HA 0.363 4.683 4.320 -0.001 0.000 0.217 241 A C 1.469 179.114 177.584 0.103 0.000 1.153 241 A CA 0.951 53.038 52.037 0.083 0.000 0.692 241 A CB -0.804 18.240 19.000 0.073 0.000 0.799 241 A HN 0.843 nan 8.150 nan 0.000 0.458 242 L N -1.611 119.669 121.223 0.094 0.000 4.560 242 L HA -0.238 4.101 4.340 -0.001 0.000 0.415 242 L C 0.434 177.371 176.870 0.112 0.000 1.123 242 L CA 0.704 55.602 54.840 0.096 0.000 0.991 242 L CB -2.062 40.076 42.059 0.132 0.000 2.127 242 L HN 0.694 nan 8.230 nan 0.000 0.765 243 D N -1.564 118.904 120.400 0.114 0.000 2.431 243 D HA 0.174 4.814 4.640 -0.001 0.000 0.213 243 D C 0.371 176.772 176.300 0.167 0.000 1.130 243 D CA 0.193 54.267 54.000 0.123 0.000 0.834 243 D CB 0.173 41.036 40.800 0.106 0.000 0.985 243 D HN 0.589 nan 8.370 nan 0.000 0.504 244 H N -0.195 118.897 119.070 0.037 0.000 3.029 244 H HA 0.667 5.223 4.556 -0.001 0.000 0.358 244 H C -1.760 173.578 175.328 0.017 0.000 1.129 244 H CA -0.495 55.568 56.048 0.024 0.000 1.230 244 H CB 1.804 31.577 29.762 0.018 0.000 1.827 244 H HN 0.085 nan 8.280 nan 0.000 0.530 245 A N 3.728 126.227 122.820 -0.536 0.000 2.380 245 A HA 0.543 4.862 4.320 -0.001 0.000 0.315 245 A C -1.172 176.095 177.584 -0.527 0.000 1.101 245 A CA -0.798 51.010 52.037 -0.380 0.000 0.771 245 A CB 1.373 20.265 19.000 -0.180 0.000 1.287 245 A HN 0.759 nan 8.150 nan 0.000 0.436 246 D N 1.387 121.629 120.400 -0.264 0.000 2.391 246 D HA 0.498 5.138 4.640 -0.001 0.000 0.245 246 D C -1.022 175.190 176.300 -0.147 0.000 1.069 246 D CA 0.067 53.962 54.000 -0.174 0.000 0.831 246 D CB 1.724 42.482 40.800 -0.070 0.000 1.204 246 D HN 0.417 nan 8.370 nan 0.000 0.503 247 L N 1.766 122.896 121.223 -0.155 0.000 2.305 247 L HA 0.375 4.715 4.340 -0.001 0.000 0.284 247 L C 0.182 176.947 176.870 -0.174 0.000 1.013 247 L CA -0.539 54.181 54.840 -0.201 0.000 0.819 247 L CB 1.654 43.569 42.059 -0.240 0.000 1.227 247 L HN 0.102 nan 8.230 nan 0.000 0.417 248 T N 2.662 117.102 114.554 -0.189 0.000 2.788 248 T HA 0.378 4.727 4.350 -0.001 0.000 0.296 248 T C 0.068 174.630 174.700 -0.230 0.000 1.009 248 T CA -0.385 61.624 62.100 -0.151 0.000 0.949 248 T CB 1.532 70.336 68.868 -0.107 0.000 0.946 248 T HN 0.176 nan 8.240 nan 0.000 0.453 249 V N 5.026 124.823 119.914 -0.195 0.000 2.498 249 V HA 0.397 4.516 4.120 -0.001 0.000 0.279 249 V C 0.266 176.318 176.094 -0.070 0.000 1.048 249 V CA -0.408 61.733 62.300 -0.264 0.000 0.967 249 V CB 0.892 32.434 31.823 -0.469 0.000 0.988 249 V HN 0.719 nan 8.190 nan 0.000 0.473 250 K N 3.175 123.422 120.400 -0.256 0.000 2.378 250 K HA 0.870 5.190 4.320 -0.001 0.000 0.252 250 K C -0.865 175.704 176.600 -0.052 0.000 0.931 250 K CA -0.559 55.638 56.287 -0.151 0.000 0.794 250 K CB 2.515 34.809 32.500 -0.343 0.000 1.181 250 K HN 0.799 nan 8.250 nan 0.000 0.425 251 A N 2.285 125.169 122.820 0.106 0.000 2.488 251 A HA 0.441 4.760 4.320 -0.001 0.000 0.298 251 A C -1.700 175.945 177.584 0.102 0.000 1.044 251 A CA -0.919 51.194 52.037 0.127 0.000 0.693 251 A CB 1.147 20.244 19.000 0.162 0.000 1.272 251 A HN 0.626 nan 8.150 nan 0.000 0.402 252 D N 1.436 121.891 120.400 0.093 0.000 2.225 252 D HA 0.475 5.114 4.640 -0.001 0.000 0.248 252 D C 0.102 176.424 176.300 0.037 0.000 1.096 252 D CA 0.188 54.224 54.000 0.059 0.000 0.863 252 D CB 1.712 42.548 40.800 0.061 0.000 1.156 252 D HN 0.613 nan 8.370 nan 0.000 0.450 253 V N 0.292 120.219 119.914 0.022 0.000 2.555 253 V HA 0.674 4.794 4.120 -0.001 0.000 0.302 253 V C -0.241 175.856 176.094 0.005 0.000 1.038 253 V CA -1.057 61.249 62.300 0.011 0.000 0.887 253 V CB 2.098 33.929 31.823 0.012 0.000 0.991 253 V HN 0.454 nan 8.190 nan 0.000 0.434 254 R N 2.993 123.493 120.500 0.001 0.000 2.502 254 R HA 0.439 4.779 4.340 -0.001 0.000 0.300 254 R C -1.000 175.314 176.300 0.024 0.000 0.984 254 R CA -0.512 55.593 56.100 0.008 0.000 0.882 254 R CB 1.440 31.741 30.300 0.000 0.000 1.180 254 R HN 0.908 nan 8.270 nan 0.000 0.444 255 N N 3.109 121.827 118.700 0.029 0.000 2.469 255 N HA 0.063 4.802 4.740 -0.001 0.000 0.239 255 N C -0.681 174.862 175.510 0.055 0.000 1.053 255 N CA -0.103 52.971 53.050 0.039 0.000 0.937 255 N CB 1.183 39.686 38.487 0.026 0.000 1.163 255 N HN 0.553 nan 8.380 nan 0.000 0.509 256 D N 0.144 120.595 120.400 0.085 0.000 2.360 256 D HA -0.021 4.618 4.640 -0.001 0.000 0.210 256 D C 0.584 176.928 176.300 0.074 0.000 1.047 256 D CA 0.222 54.283 54.000 0.103 0.000 0.854 256 D CB 0.181 41.098 40.800 0.196 0.000 0.936 256 D HN 0.602 nan 8.370 nan 0.000 0.514 257 S N -0.116 115.621 115.700 0.062 0.000 2.617 257 S HA 0.352 4.821 4.470 -0.001 0.000 0.259 257 S C 1.451 176.070 174.600 0.031 0.000 1.301 257 S CA -0.009 58.217 58.200 0.043 0.000 0.984 257 S CB 1.779 65.004 63.200 0.041 0.000 0.954 257 S HN 0.023 nan 8.310 nan 0.000 0.572 258 A N 1.266 124.100 122.820 0.023 0.000 2.067 258 A HA 0.182 4.501 4.320 -0.001 0.000 0.217 258 A C 0.669 178.263 177.584 0.016 0.000 1.156 258 A CA 0.404 52.452 52.037 0.017 0.000 0.683 258 A CB -0.959 18.050 19.000 0.014 0.000 0.808 258 A HN 0.876 nan 8.150 nan 0.000 0.455 259 N N -1.349 117.362 118.700 0.017 0.000 2.335 259 N HA 0.572 5.312 4.740 -0.001 0.000 0.304 259 N C -0.431 175.087 175.510 0.015 0.000 1.135 259 N CA -0.224 52.835 53.050 0.014 0.000 0.817 259 N CB 1.486 39.981 38.487 0.014 0.000 1.294 259 N HN 0.230 nan 8.380 nan 0.000 0.497 260 A N 0.701 123.527 122.820 0.011 0.000 2.498 260 A HA 0.419 4.738 4.320 -0.001 0.000 0.239 260 A C 0.146 177.736 177.584 0.010 0.000 1.068 260 A CA -0.112 51.930 52.037 0.009 0.000 0.766 260 A CB -0.237 18.766 19.000 0.005 0.000 1.003 260 A HN 0.516 nan 8.150 nan 0.000 0.497 261 V N 0.010 119.929 119.914 0.009 0.000 3.130 261 V HA 0.629 4.748 4.120 -0.001 0.000 0.310 261 V C -0.648 175.449 176.094 0.005 0.000 1.158 261 V CA -0.962 61.344 62.300 0.010 0.000 1.029 261 V CB 1.759 33.591 31.823 0.016 0.000 1.057 261 V HN 0.868 nan 8.190 nan 0.000 0.436 262 Q N 1.024 120.827 119.800 0.005 0.000 2.271 262 Q HA 0.585 4.924 4.340 -0.001 0.000 0.258 262 Q C -0.797 175.206 176.000 0.005 0.000 0.936 262 Q CA -0.251 55.553 55.803 0.001 0.000 0.909 262 Q CB 1.995 30.733 28.738 0.000 0.000 1.253 262 Q HN 0.959 nan 8.270 nan 0.000 0.440 263 T N 1.239 115.794 114.554 0.001 0.000 2.861 263 T HA 0.418 4.768 4.350 -0.001 0.000 0.287 263 T C -0.850 173.852 174.700 0.004 0.000 1.003 263 T CA -0.321 61.783 62.100 0.008 0.000 0.977 263 T CB 1.317 70.192 68.868 0.012 0.000 0.996 263 T HN 0.397 nan 8.240 nan 0.000 0.448 264 T N 3.830 118.394 114.554 0.017 0.000 2.771 264 T HA 0.517 4.866 4.350 -0.001 0.000 0.281 264 T C -0.422 174.310 174.700 0.053 0.000 0.982 264 T CA -0.447 61.668 62.100 0.024 0.000 0.978 264 T CB 0.950 69.836 68.868 0.030 0.000 0.930 264 T HN 0.468 nan 8.240 nan 0.000 0.447 265 V N 3.145 123.105 119.914 0.078 0.000 2.328 265 V HA 0.799 4.918 4.120 -0.001 0.000 0.278 265 V C 0.184 176.443 176.094 0.276 0.000 1.021 265 V CA -0.634 61.768 62.300 0.170 0.000 0.838 265 V CB 0.534 32.487 31.823 0.216 0.000 0.999 265 V HN 1.078 nan 8.190 nan 0.000 0.447 266 A N 3.549 126.476 122.820 0.178 0.000 2.556 266 A HA 1.069 5.388 4.320 -0.001 0.000 0.294 266 A C 0.119 177.735 177.584 0.053 0.000 1.091 266 A CA 0.043 52.164 52.037 0.140 0.000 0.704 266 A CB 2.180 21.241 19.000 0.101 0.000 1.300 266 A HN 1.503 nan 8.150 nan 0.000 0.406 267 G N -0.641 108.165 108.800 0.010 0.000 2.513 267 G HA2 0.601 4.561 3.960 -0.001 0.000 0.182 267 G HA3 0.601 4.561 3.960 -0.001 0.000 0.182 267 G C -0.446 174.429 174.900 -0.043 0.000 1.190 267 G CA 0.718 45.808 45.100 -0.016 0.000 0.987 267 G HN 2.069 nan 8.290 nan 0.000 0.479 268 T N -2.532 111.992 114.554 -0.050 0.000 2.893 268 T HA 0.713 5.062 4.350 -0.001 0.000 0.293 268 T C -1.355 173.318 174.700 -0.045 0.000 1.027 268 T CA -0.452 61.625 62.100 -0.038 0.000 0.988 268 T CB 1.988 70.861 68.868 0.008 0.000 1.043 268 T HN 1.727 nan 8.240 nan 0.000 0.461 269 V N 2.750 122.637 119.914 -0.045 0.000 2.444 269 V HA 0.640 4.759 4.120 -0.001 0.000 0.294 269 V C 0.672 176.814 176.094 0.080 0.000 1.022 269 V CA 0.280 62.588 62.300 0.012 0.000 0.850 269 V CB 0.386 32.130 31.823 -0.132 0.000 0.992 269 V HN 2.093 nan 8.190 nan 0.000 0.426 270 A N 4.823 127.760 122.820 0.195 0.000 2.748 270 A HA -0.008 4.312 4.320 -0.001 0.000 0.297 270 A C 1.814 179.482 177.584 0.140 0.000 1.508 270 A CA 1.601 53.741 52.037 0.171 0.000 0.799 270 A CB -1.797 17.087 19.000 -0.193 0.000 1.011 270 A HN 2.877 nan 8.150 nan 0.000 0.500 271 G N -2.350 106.519 108.800 0.115 0.000 2.159 271 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.256 271 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.256 271 G C -0.036 174.892 174.900 0.047 0.000 0.977 271 G CA 0.988 46.138 45.100 0.083 0.000 0.652 271 G HN 1.225 nan 8.290 nan 0.000 0.531 272 K N 1.345 121.760 120.400 0.026 0.000 2.244 272 K HA 0.544 4.863 4.320 -0.001 0.000 0.260 272 K C -2.544 174.051 176.600 -0.008 0.000 0.951 272 K CA -2.063 54.228 56.287 0.008 0.000 0.826 272 K CB 2.794 35.291 32.500 -0.006 0.000 1.108 272 K HN 0.050 nan 8.250 nan 0.000 0.433 273 P HA 0.257 nan 4.420 nan 0.000 0.278 273 P C -0.748 176.553 177.300 0.001 0.000 1.238 273 P CA -0.349 62.753 63.100 0.003 0.000 0.794 273 P CB 0.605 32.316 31.700 0.019 0.000 0.955 274 I N -2.132 118.436 120.570 -0.004 0.000 2.827 274 I HA 0.771 4.940 4.170 -0.001 0.000 0.298 274 I C -1.108 175.112 176.117 0.171 0.000 1.235 274 I CA -0.910 60.415 61.300 0.042 0.000 1.021 274 I CB 2.517 40.407 38.000 -0.182 0.000 1.259 274 I HN 0.262 nan 8.210 nan 0.000 0.427 275 S N 2.875 118.787 115.700 0.353 0.000 2.563 275 S HA 0.502 4.971 4.470 -0.001 0.000 0.279 275 S C -1.742 172.963 174.600 0.175 0.000 1.155 275 S CA -0.514 57.871 58.200 0.307 0.000 0.928 275 S CB 1.621 64.902 63.200 0.136 0.000 1.107 275 S HN 0.696 nan 8.310 nan 0.000 0.462 276 Q N 2.259 122.068 119.800 0.015 0.000 2.331 276 Q HA 0.468 4.807 4.340 -0.001 0.000 0.272 276 Q C -1.193 174.737 176.000 -0.117 0.000 1.062 276 Q CA -0.639 55.036 55.803 -0.214 0.000 0.806 276 Q CB 2.235 30.600 28.738 -0.621 0.000 1.312 276 Q HN 0.678 nan 8.270 nan 0.000 0.431 277 T N 1.481 115.980 114.554 -0.091 0.000 2.794 277 T HA 0.635 4.985 4.350 -0.001 0.000 0.280 277 T C 0.082 174.738 174.700 -0.072 0.000 0.987 277 T CA -0.553 61.513 62.100 -0.058 0.000 0.993 277 T CB 1.125 69.975 68.868 -0.029 0.000 0.939 277 T HN 0.449 nan 8.240 nan 0.000 0.449 278 V N 0.347 120.225 119.914 -0.059 0.000 3.102 278 V HA 0.842 4.962 4.120 -0.001 0.000 0.312 278 V C -0.262 175.813 176.094 -0.032 0.000 1.135 278 V CA -0.967 61.300 62.300 -0.055 0.000 1.022 278 V CB 2.166 33.949 31.823 -0.067 0.000 1.056 278 V HN 0.730 nan 8.190 nan 0.000 0.436 279 S N 2.209 117.893 115.700 -0.027 0.000 2.554 279 S HA 0.808 5.278 4.470 -0.001 0.000 0.278 279 S C -0.535 174.057 174.600 -0.013 0.000 1.242 279 S CA -0.473 57.718 58.200 -0.016 0.000 1.051 279 S CB 0.709 63.901 63.200 -0.014 0.000 0.986 279 S HN 0.651 nan 8.310 nan 0.000 0.502 280 L N 2.481 123.701 121.223 -0.006 0.000 2.441 280 L HA 0.537 4.876 4.340 -0.001 0.000 0.270 280 L C 0.329 177.200 176.870 0.002 0.000 0.973 280 L CA -0.791 54.048 54.840 -0.002 0.000 0.842 280 L CB 1.506 43.566 42.059 0.003 0.000 1.239 280 L HN 0.747 nan 8.230 nan 0.000 0.406 281 A N 2.508 125.328 122.820 0.001 0.000 2.521 281 A HA 0.535 4.855 4.320 -0.001 0.000 0.237 281 A C 0.715 178.303 177.584 0.008 0.000 1.087 281 A CA 0.317 52.356 52.037 0.003 0.000 0.777 281 A CB 0.277 19.277 19.000 0.000 0.000 1.035 281 A HN 0.834 nan 8.150 nan 0.000 0.510 282 A N 0.859 123.685 122.820 0.010 0.000 2.511 282 A HA 0.447 4.766 4.320 -0.001 0.000 0.242 282 A C 1.072 178.664 177.584 0.015 0.000 1.069 282 A CA 0.527 52.572 52.037 0.015 0.000 0.763 282 A CB -0.112 18.896 19.000 0.013 0.000 1.001 282 A HN 1.067 nan 8.150 nan 0.000 0.498 283 K N -0.419 119.994 120.400 0.022 0.000 3.500 283 K HA -0.173 4.146 4.320 -0.001 0.000 0.313 283 K C 0.112 176.722 176.600 0.016 0.000 1.338 283 K CA 1.632 57.933 56.287 0.023 0.000 0.963 283 K CB -1.442 31.069 32.500 0.018 0.000 1.267 283 K HN 1.004 nan 8.250 nan 0.000 0.448 284 E N 1.322 121.529 120.200 0.012 0.000 2.259 284 E HA 0.222 4.571 4.350 -0.001 0.000 0.281 284 E C -0.261 176.343 176.600 0.006 0.000 1.027 284 E CA -0.438 55.965 56.400 0.005 0.000 0.838 284 E CB 0.818 30.518 29.700 0.001 0.000 1.066 284 E HN 0.164 nan 8.360 nan 0.000 0.401 285 R N 3.935 124.435 120.500 0.001 0.000 2.460 285 R HA 0.345 4.685 4.340 -0.001 0.000 0.303 285 R C -0.879 175.418 176.300 -0.005 0.000 0.968 285 R CA -0.527 55.572 56.100 -0.001 0.000 0.889 285 R CB 0.899 31.197 30.300 -0.004 0.000 1.123 285 R HN 0.430 nan 8.270 nan 0.000 0.455 286 K N 1.656 122.054 120.400 -0.003 0.000 2.375 286 K HA 0.308 4.627 4.320 -0.001 0.000 0.249 286 K C -1.187 175.415 176.600 0.003 0.000 0.942 286 K CA -0.815 55.468 56.287 -0.007 0.000 0.806 286 K CB 2.567 35.056 32.500 -0.017 0.000 1.227 286 K HN 0.499 nan 8.250 nan 0.000 0.430 287 T N 1.783 116.340 114.554 0.005 0.000 2.728 287 T HA 0.202 4.552 4.350 -0.001 0.000 0.296 287 T C -0.248 174.443 174.700 -0.014 0.000 0.940 287 T CA -0.534 61.578 62.100 0.020 0.000 1.013 287 T CB 0.676 69.570 68.868 0.042 0.000 0.912 287 T HN 0.129 nan 8.240 nan 0.000 0.484 288 V N 4.714 124.614 119.914 -0.024 0.000 2.406 288 V HA 0.302 4.422 4.120 -0.001 0.000 0.272 288 V C 0.628 176.664 176.094 -0.096 0.000 1.043 288 V CA -0.418 61.813 62.300 -0.114 0.000 0.915 288 V CB 1.249 32.967 31.823 -0.174 0.000 0.988 288 V HN 0.904 nan 8.190 nan 0.000 0.466 289 T N 6.310 120.780 114.554 -0.140 0.000 2.758 289 T HA 0.552 4.901 4.350 -0.001 0.000 0.285 289 T C -0.385 174.232 174.700 -0.140 0.000 0.981 289 T CA -0.061 61.998 62.100 -0.069 0.000 0.965 289 T CB 0.364 69.207 68.868 -0.043 0.000 0.927 289 T HN 0.287 nan 8.240 nan 0.000 0.448 290 F N 3.927 123.828 119.950 -0.082 0.000 2.375 290 F HA 0.386 4.912 4.527 -0.001 0.000 0.333 290 F C -1.537 174.225 175.800 -0.064 0.000 1.104 290 F CA -2.219 55.739 58.000 -0.069 0.000 1.149 290 F CB 0.401 39.352 39.000 -0.081 0.000 1.190 290 F HN 0.357 nan 8.300 nan 0.000 0.533 291 P HA -0.024 nan 4.420 nan 0.000 0.268 291 P C -0.574 176.761 177.300 0.058 0.000 1.208 291 P CA -0.326 62.808 63.100 0.057 0.000 0.777 291 P CB 0.462 32.188 31.700 0.043 0.000 0.875 292 L N 2.993 124.230 121.223 0.023 0.000 2.525 292 L HA 0.046 4.386 4.340 -0.001 0.000 0.278 292 L C -0.483 176.388 176.870 0.001 0.000 1.218 292 L CA 0.622 55.463 54.840 0.002 0.000 0.878 292 L CB 0.277 42.338 42.059 0.003 0.000 1.127 292 L HN 0.061 nan 8.230 nan 0.000 0.492 293 V N 4.952 124.849 119.914 -0.029 0.000 2.409 293 V HA 0.559 4.679 4.120 -0.001 0.000 0.291 293 V C 0.611 176.678 176.094 -0.045 0.000 1.020 293 V CA -0.406 61.874 62.300 -0.032 0.000 0.848 293 V CB 1.294 33.079 31.823 -0.063 0.000 0.990 293 V HN 0.933 nan 8.190 nan 0.000 0.430 294 G N 3.768 112.571 108.800 0.005 0.000 2.415 294 G HA2 0.532 4.492 3.960 -0.001 0.000 0.269 294 G HA3 0.532 4.492 3.960 -0.001 0.000 0.269 294 G C -1.102 173.770 174.900 -0.046 0.000 1.209 294 G CA -0.243 44.872 45.100 0.025 0.000 0.835 294 G HN 0.585 nan 8.290 nan 0.000 0.534 295 L N 2.005 123.097 121.223 -0.218 0.000 2.372 295 L HA 0.442 4.782 4.340 -0.001 0.000 0.273 295 L C -1.036 175.795 176.870 -0.065 0.000 0.989 295 L CA -0.786 53.970 54.840 -0.141 0.000 0.841 295 L CB 1.737 43.672 42.059 -0.208 0.000 1.225 295 L HN 0.362 nan 8.230 nan 0.000 0.414 296 D N 5.021 125.476 120.400 0.091 0.000 2.264 296 D HA 0.345 4.985 4.640 -0.001 0.000 0.249 296 D C 0.148 176.508 176.300 0.101 0.000 1.070 296 D CA -0.151 53.947 54.000 0.162 0.000 0.912 296 D CB 0.988 41.876 40.800 0.147 0.000 1.193 296 D HN 0.358 nan 8.370 nan 0.000 0.427 297 R N -0.351 120.214 120.500 0.109 0.000 3.322 297 R HA -0.117 4.222 4.340 -0.001 0.000 0.253 297 R C -2.229 174.131 176.300 0.100 0.000 0.987 297 R CA 0.097 56.253 56.100 0.093 0.000 0.666 297 R CB -2.701 27.643 30.300 0.074 0.000 1.072 297 R HN 0.444 nan 8.270 nan 0.000 0.447 298 P HA -0.004 nan 4.420 nan 0.000 0.269 298 P C 0.104 177.512 177.300 0.179 0.000 1.209 298 P CA -0.205 62.996 63.100 0.169 0.000 0.776 298 P CB 0.571 32.343 31.700 0.120 0.000 0.876 299 N N 2.365 121.177 118.700 0.187 0.000 2.498 299 N HA 0.053 4.792 4.740 -0.001 0.000 0.277 299 N C -0.461 175.137 175.510 0.147 0.000 1.208 299 N CA 0.051 53.103 53.050 0.004 0.000 1.029 299 N CB -0.536 37.661 38.487 -0.483 0.000 1.403 299 N HN 0.067 nan 8.380 nan 0.000 0.500 300 V N 3.681 123.700 119.914 0.175 0.000 2.599 300 V HA -0.111 4.008 4.120 -0.001 0.000 0.300 300 V C 0.624 176.774 176.094 0.094 0.000 1.034 300 V CA -0.344 62.014 62.300 0.098 0.000 1.115 300 V CB 0.017 31.820 31.823 -0.033 0.000 0.934 300 V HN 0.546 nan 8.190 nan 0.000 0.485 301 W N 6.219 127.450 121.300 -0.115 0.000 2.266 301 W HA 0.454 5.113 4.660 -0.001 0.000 0.317 301 W C -0.700 175.671 176.519 -0.247 0.000 1.310 301 W CA -0.482 56.823 57.345 -0.066 0.000 1.207 301 W CB 0.511 29.948 29.460 -0.038 0.000 1.199 301 W HN 0.540 nan 8.180 nan 0.000 0.544 302 W N 7.517 128.513 121.300 -0.508 0.000 2.781 302 W HA 0.400 5.059 4.660 -0.001 0.000 0.345 302 W C -1.794 174.069 176.519 -1.093 0.000 1.085 302 W CA -2.319 54.728 57.345 -0.497 0.000 1.198 302 W CB 0.722 30.016 29.460 -0.277 0.000 1.423 302 W HN 0.179 nan 8.180 nan 0.000 0.532 303 P HA 0.054 nan 4.420 nan 0.000 0.268 303 P C -0.326 176.846 177.300 -0.213 0.000 1.208 303 P CA -0.011 62.924 63.100 -0.275 0.000 0.777 303 P CB 0.313 32.035 31.700 0.037 0.000 0.875 304 A N 2.303 125.019 122.820 -0.173 0.000 2.587 304 A HA 0.344 4.664 4.320 -0.001 0.000 0.235 304 A C 1.638 179.163 177.584 -0.097 0.000 1.044 304 A CA 1.006 52.966 52.037 -0.128 0.000 0.754 304 A CB -1.569 17.381 19.000 -0.082 0.000 0.968 304 A HN 0.894 nan 8.150 nan 0.000 0.509 305 G N 1.313 110.048 108.800 -0.108 0.000 2.253 305 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.251 305 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.251 305 G C 0.748 175.565 174.900 -0.139 0.000 0.998 305 G CA 0.880 45.918 45.100 -0.104 0.000 0.621 305 G HN 0.750 nan 8.290 nan 0.000 0.524 306 M N 0.450 119.958 119.600 -0.153 0.000 2.382 306 M HA 0.469 4.948 4.480 -0.001 0.000 0.247 306 M C 1.256 177.203 176.300 -0.588 0.000 1.104 306 M CA 1.170 56.306 55.300 -0.273 0.000 1.030 306 M CB 0.868 33.428 32.600 -0.067 0.000 1.424 306 M HN 0.978 nan 8.290 nan 0.000 0.486 307 G N -0.531 108.045 108.800 -0.374 0.000 2.356 307 G HA2 0.311 4.271 3.960 -0.001 0.000 0.266 307 G HA3 0.311 4.271 3.960 -0.001 0.000 0.266 307 G C -1.016 173.805 174.900 -0.132 0.000 1.312 307 G CA -0.605 44.259 45.100 -0.393 0.000 0.922 307 G HN 0.240 nan 8.290 nan 0.000 0.480 308 G N -1.502 107.295 108.800 -0.005 0.000 2.547 308 G HA2 0.508 4.467 3.960 -0.001 0.000 0.291 308 G HA3 0.508 4.467 3.960 -0.001 0.000 0.291 308 G C -0.176 174.663 174.900 -0.102 0.000 1.211 308 G CA -0.077 45.010 45.100 -0.022 0.000 0.950 308 G HN 0.515 nan 8.290 nan 0.000 0.504 309 Q N -0.932 118.794 119.800 -0.123 0.000 2.182 309 Q HA 0.187 4.526 4.340 -0.001 0.000 0.305 309 Q C -0.251 175.857 176.000 0.180 0.000 0.880 309 Q CA -0.428 55.240 55.803 -0.226 0.000 1.131 309 Q CB 0.338 28.988 28.738 -0.146 0.000 1.237 309 Q HN 0.736 nan 8.270 nan 0.000 0.447 310 H N 0.335 119.446 119.070 0.069 0.000 2.815 310 H HA 0.312 4.867 4.556 -0.001 0.000 0.350 310 H C -0.450 174.893 175.328 0.025 0.000 1.080 310 H CA 0.538 56.577 56.048 -0.016 0.000 1.433 310 H CB 0.533 30.200 29.762 -0.158 0.000 1.432 310 H HN 0.018 nan 8.280 nan 0.000 0.592 311 R N 3.565 123.683 120.500 -0.636 0.000 2.621 311 R HA 0.265 4.605 4.340 -0.001 0.000 0.292 311 R C -1.066 174.666 176.300 -0.946 0.000 0.969 311 R CA -0.721 55.054 56.100 -0.542 0.000 0.887 311 R CB 1.252 31.384 30.300 -0.280 0.000 1.180 311 R HN 0.547 nan 8.270 nan 0.000 0.450 312 Y N 0.467 120.311 120.300 -0.760 0.000 2.295 312 Y HA 0.165 4.714 4.550 -0.001 0.000 0.331 312 Y C 0.539 176.114 175.900 -0.542 0.000 1.311 312 Y CA 0.222 57.913 58.100 -0.681 0.000 1.430 312 Y CB 0.879 38.754 38.460 -0.975 0.000 1.339 312 Y HN 0.364 nan 8.280 nan 0.000 0.552 313 D N 1.455 121.836 120.400 -0.032 0.000 2.248 313 D HA 0.333 4.973 4.640 -0.001 0.000 0.246 313 D C -1.385 175.048 176.300 0.223 0.000 1.027 313 D CA -0.479 53.562 54.000 0.070 0.000 0.853 313 D CB 2.552 43.378 40.800 0.044 0.000 1.243 313 D HN 0.211 nan 8.370 nan 0.000 0.462 314 L N 2.026 123.375 121.223 0.209 0.000 2.333 314 L HA 0.439 4.779 4.340 -0.001 0.000 0.280 314 L C -1.245 175.654 176.870 0.048 0.000 1.004 314 L CA -0.295 54.621 54.840 0.126 0.000 0.820 314 L CB 1.606 43.713 42.059 0.080 0.000 1.247 314 L HN 0.144 nan 8.230 nan 0.000 0.416 315 D N 5.131 125.537 120.400 0.011 0.000 2.686 315 D HA 0.532 5.171 4.640 -0.001 0.000 0.249 315 D C -1.647 174.643 176.300 -0.018 0.000 1.260 315 D CA -0.062 53.943 54.000 0.007 0.000 0.910 315 D CB 1.193 42.005 40.800 0.020 0.000 1.323 315 D HN 0.558 nan 8.370 nan 0.000 0.561 316 L N 2.182 123.401 121.223 -0.007 0.000 2.422 316 L HA 0.580 4.920 4.340 -0.001 0.000 0.264 316 L C -0.411 176.474 176.870 0.025 0.000 0.984 316 L CA -0.688 54.150 54.840 -0.003 0.000 0.819 316 L CB 2.670 44.721 42.059 -0.012 0.000 1.330 316 L HN 0.266 nan 8.230 nan 0.000 0.410 317 T N 1.429 116.007 114.554 0.040 0.000 2.861 317 T HA 0.629 4.978 4.350 -0.001 0.000 0.287 317 T C -0.482 174.252 174.700 0.058 0.000 1.003 317 T CA -0.483 61.643 62.100 0.044 0.000 0.977 317 T CB 1.933 70.825 68.868 0.040 0.000 0.996 317 T HN 0.609 nan 8.240 nan 0.000 0.448 318 A N 2.590 125.441 122.820 0.051 0.000 2.260 318 A HA 0.724 5.044 4.320 -0.001 0.000 0.308 318 A C 0.154 177.764 177.584 0.042 0.000 1.254 318 A CA -0.467 51.600 52.037 0.050 0.000 0.874 318 A CB 0.399 19.424 19.000 0.041 0.000 1.153 318 A HN 0.678 nan 8.150 nan 0.000 0.527 319 S N 0.715 116.439 115.700 0.040 0.000 2.537 319 S HA 0.691 5.160 4.470 -0.001 0.000 0.301 319 S C -0.538 174.080 174.600 0.030 0.000 1.092 319 S CA -0.479 57.742 58.200 0.036 0.000 1.048 319 S CB 1.654 64.875 63.200 0.035 0.000 1.053 319 S HN 0.617 nan 8.310 nan 0.000 0.501 320 V N 1.315 121.247 119.914 0.030 0.000 2.638 320 V HA 0.665 4.785 4.120 -0.001 0.000 0.306 320 V C 0.706 176.815 176.094 0.025 0.000 1.052 320 V CA -0.232 62.083 62.300 0.026 0.000 0.885 320 V CB 1.257 33.097 31.823 0.028 0.000 0.999 320 V HN 1.213 nan 8.190 nan 0.000 0.424 321 G N 3.228 112.040 108.800 0.021 0.000 2.305 321 G HA2 0.049 4.008 3.960 -0.001 0.000 0.287 321 G HA3 0.049 4.008 3.960 -0.001 0.000 0.287 321 G C 1.123 176.036 174.900 0.020 0.000 1.036 321 G CA 0.677 45.789 45.100 0.019 0.000 0.887 321 G HN 2.470 nan 8.290 nan 0.000 0.505 322 G N -2.253 106.560 108.800 0.021 0.000 2.225 322 G HA2 0.008 3.967 3.960 -0.001 0.000 0.267 322 G HA3 0.008 3.967 3.960 -0.001 0.000 0.267 322 G C 0.273 175.188 174.900 0.024 0.000 1.024 322 G CA 1.059 46.172 45.100 0.022 0.000 0.784 322 G HN 1.728 nan 8.290 nan 0.000 0.507 323 T N 0.759 115.329 114.554 0.027 0.000 2.921 323 T HA 0.541 4.890 4.350 -0.001 0.000 0.297 323 T C -2.803 171.917 174.700 0.032 0.000 1.013 323 T CA -0.988 61.130 62.100 0.029 0.000 0.990 323 T CB 2.937 71.822 68.868 0.029 0.000 1.023 323 T HN -0.036 nan 8.240 nan 0.000 0.447 324 P HA 0.126 nan 4.420 nan 0.000 0.263 324 P C 0.289 177.613 177.300 0.040 0.000 1.195 324 P CA 0.259 63.381 63.100 0.037 0.000 0.762 324 P CB 0.717 32.439 31.700 0.037 0.000 0.799 325 S N 1.747 117.471 115.700 0.041 0.000 2.502 325 S HA 0.091 4.560 4.470 -0.001 0.000 0.228 325 S C 0.334 174.962 174.600 0.047 0.000 1.061 325 S CA 0.486 58.714 58.200 0.046 0.000 0.935 325 S CB 0.062 63.289 63.200 0.045 0.000 0.809 325 S HN 0.495 nan 8.310 nan 0.000 0.510 326 D N -0.917 119.506 120.400 0.038 0.000 2.615 326 D HA 0.703 5.342 4.640 -0.001 0.000 0.267 326 D C -1.686 174.633 176.300 0.031 0.000 1.236 326 D CA 0.004 54.023 54.000 0.031 0.000 0.839 326 D CB 2.000 42.806 40.800 0.010 0.000 1.380 326 D HN 0.347 nan 8.370 nan 0.000 0.433 327 A N 0.096 122.934 122.820 0.029 0.000 2.547 327 A HA 0.841 5.160 4.320 -0.001 0.000 0.297 327 A C -1.695 175.906 177.584 0.029 0.000 1.056 327 A CA 0.003 52.059 52.037 0.031 0.000 0.688 327 A CB 1.594 20.615 19.000 0.035 0.000 1.282 327 A HN 0.871 nan 8.150 nan 0.000 0.400 328 A N 1.662 124.499 122.820 0.028 0.000 2.488 328 A HA 0.769 5.089 4.320 -0.001 0.000 0.298 328 A C -0.999 176.601 177.584 0.028 0.000 1.044 328 A CA -0.545 51.509 52.037 0.029 0.000 0.693 328 A CB 1.366 20.381 19.000 0.026 0.000 1.272 328 A HN 0.648 nan 8.150 nan 0.000 0.402 329 K N 1.065 121.485 120.400 0.034 0.000 2.270 329 K HA 0.762 5.081 4.320 -0.001 0.000 0.255 329 K C -0.429 176.196 176.600 0.041 0.000 0.936 329 K CA -0.306 56.003 56.287 0.036 0.000 0.809 329 K CB 2.065 34.587 32.500 0.038 0.000 1.131 329 K HN 0.982 nan 8.250 nan 0.000 0.427 330 S N 1.693 117.422 115.700 0.047 0.000 2.705 330 S HA 0.585 5.055 4.470 -0.001 0.000 0.280 330 S C -1.221 173.420 174.600 0.068 0.000 1.174 330 S CA -1.092 57.137 58.200 0.048 0.000 0.823 330 S CB 1.858 65.081 63.200 0.038 0.000 1.162 330 S HN 0.481 nan 8.310 nan 0.000 0.487 331 K N -0.072 120.354 120.400 0.043 0.000 2.400 331 K HA 0.807 5.126 4.320 -0.001 0.000 0.246 331 K C -1.475 175.184 176.600 0.099 0.000 0.995 331 K CA -0.756 55.548 56.287 0.029 0.000 0.840 331 K CB 1.797 34.257 32.500 -0.067 0.000 1.293 331 K HN 0.732 nan 8.250 nan 0.000 0.445 332 F N -2.405 117.498 119.950 -0.078 0.000 2.668 332 F HA 0.700 5.226 4.527 -0.001 0.000 0.309 332 F C -0.554 175.226 175.800 -0.034 0.000 1.117 332 F CA -1.188 56.751 58.000 -0.101 0.000 0.951 332 F CB 1.396 40.347 39.000 -0.083 0.000 1.323 332 F HN 0.508 nan 8.300 nan 0.000 0.451 333 G N 0.729 109.521 108.800 -0.013 0.000 2.420 333 G HA2 0.576 4.535 3.960 -0.001 0.000 0.331 333 G HA3 0.576 4.535 3.960 -0.001 0.000 0.331 333 G C -1.835 173.135 174.900 0.117 0.000 1.168 333 G CA -1.117 43.958 45.100 -0.041 0.000 0.936 333 G HN 0.664 nan 8.290 nan 0.000 0.479 334 V N 2.893 122.927 119.914 0.200 0.000 2.348 334 V HA 0.651 4.770 4.120 -0.001 0.000 0.270 334 V C 0.357 176.499 176.094 0.081 0.000 1.037 334 V CA -0.408 61.993 62.300 0.168 0.000 0.872 334 V CB 0.482 32.433 31.823 0.214 0.000 1.002 334 V HN 0.812 nan 8.190 nan 0.000 0.464 335 R N 3.592 124.096 120.500 0.007 0.000 2.808 335 R HA 0.247 4.586 4.340 -0.001 0.000 0.254 335 R C -2.046 174.219 176.300 -0.058 0.000 1.145 335 R CA -0.540 55.536 56.100 -0.039 0.000 1.066 335 R CB 2.020 32.322 30.300 0.005 0.000 1.268 335 R HN 0.740 nan 8.270 nan 0.000 0.447 336 D N 2.454 122.811 120.400 -0.072 0.000 2.177 336 D HA 0.438 5.077 4.640 -0.001 0.000 0.247 336 D C -1.070 175.221 176.300 -0.015 0.000 1.063 336 D CA -0.316 53.657 54.000 -0.045 0.000 0.867 336 D CB 1.839 42.618 40.800 -0.035 0.000 1.168 336 D HN 0.312 nan 8.370 nan 0.000 0.445 337 V N 2.950 122.860 119.914 -0.007 0.000 2.823 337 V HA 0.647 4.767 4.120 -0.001 0.000 0.312 337 V C -1.460 174.655 176.094 0.036 0.000 1.072 337 V CA -0.517 61.810 62.300 0.044 0.000 0.937 337 V CB 1.691 33.562 31.823 0.079 0.000 1.013 337 V HN 0.614 nan 8.190 nan 0.000 0.430 338 K N 3.903 124.344 120.400 0.068 0.000 2.477 338 K HA 0.882 5.201 4.320 -0.001 0.000 0.255 338 K C -1.278 175.302 176.600 -0.033 0.000 0.952 338 K CA -0.489 55.807 56.287 0.015 0.000 0.826 338 K CB 2.418 34.927 32.500 0.014 0.000 1.331 338 K HN 0.971 nan 8.250 nan 0.000 0.437 339 A N 1.578 124.299 122.820 -0.163 0.000 2.651 339 A HA 0.446 4.765 4.320 -0.001 0.000 0.290 339 A C -0.653 176.775 177.584 -0.260 0.000 1.185 339 A CA -0.610 51.176 52.037 -0.418 0.000 0.746 339 A CB 0.596 19.082 19.000 -0.857 0.000 1.213 339 A HN 0.651 nan 8.150 nan 0.000 0.429 340 T N -0.224 114.234 114.554 -0.160 0.000 2.930 340 T HA 0.744 5.094 4.350 -0.001 0.000 0.290 340 T C -0.217 174.446 174.700 -0.061 0.000 1.052 340 T CA -0.830 61.216 62.100 -0.090 0.000 1.017 340 T CB 0.988 69.832 68.868 -0.040 0.000 1.137 340 T HN 0.405 nan 8.240 nan 0.000 0.511 341 L N 3.285 124.487 121.223 -0.036 0.000 2.360 341 L HA 0.332 4.671 4.340 -0.001 0.000 0.276 341 L C 0.842 177.722 176.870 0.017 0.000 1.121 341 L CA -0.952 53.887 54.840 -0.003 0.000 0.845 341 L CB 0.036 42.094 42.059 -0.002 0.000 1.143 341 L HN 0.796 nan 8.230 nan 0.000 0.452 342 N N 0.987 119.712 118.700 0.040 0.000 2.347 342 N HA -0.002 4.737 4.740 -0.001 0.000 0.253 342 N C 0.968 176.498 175.510 0.033 0.000 1.274 342 N CA -0.070 53.005 53.050 0.041 0.000 0.941 342 N CB 0.452 38.974 38.487 0.059 0.000 1.200 342 N HN 0.562 nan 8.380 nan 0.000 0.514 343 S N -1.312 114.402 115.700 0.024 0.000 2.440 343 S HA -0.140 4.329 4.470 -0.001 0.000 0.238 343 S C 1.298 175.909 174.600 0.018 0.000 1.010 343 S CA 0.956 59.165 58.200 0.016 0.000 0.972 343 S CB -0.682 62.523 63.200 0.007 0.000 0.774 343 S HN 0.538 nan 8.310 nan 0.000 0.501 344 S N 0.335 116.054 115.700 0.032 0.000 2.558 344 S HA 0.433 4.903 4.470 -0.001 0.000 0.217 344 S C 1.487 176.124 174.600 0.060 0.000 0.975 344 S CA 0.423 58.647 58.200 0.039 0.000 0.912 344 S CB -0.007 63.226 63.200 0.055 0.000 0.776 344 S HN 1.069 nan 8.310 nan 0.000 0.526 345 G N 1.069 109.906 108.800 0.061 0.000 2.157 345 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.239 345 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.239 345 G C 0.237 175.195 174.900 0.097 0.000 0.982 345 G CA -0.291 44.849 45.100 0.068 0.000 0.650 345 G HN 0.780 nan 8.290 nan 0.000 0.527 346 G N -0.310 108.564 108.800 0.123 0.000 2.372 346 G HA2 0.568 4.528 3.960 -0.001 0.000 0.283 346 G HA3 0.568 4.528 3.960 -0.001 0.000 0.283 346 G C 0.120 175.103 174.900 0.139 0.000 1.177 346 G CA -0.322 44.878 45.100 0.166 0.000 0.842 346 G HN 0.527 nan 8.290 nan 0.000 0.503 347 R N 0.854 121.438 120.500 0.140 0.000 2.404 347 R HA 0.230 4.569 4.340 -0.001 0.000 0.315 347 R C -0.124 176.279 176.300 0.172 0.000 1.032 347 R CA -0.076 56.047 56.100 0.039 0.000 0.992 347 R CB 0.511 30.728 30.300 -0.138 0.000 0.959 347 R HN 0.468 nan 8.270 nan 0.000 0.428 348 Q N 4.400 124.240 119.800 0.066 0.000 2.341 348 Q HA 0.259 4.598 4.340 -0.001 0.000 0.268 348 Q C -1.658 174.399 176.000 0.095 0.000 1.013 348 Q CA -0.437 55.474 55.803 0.180 0.000 0.798 348 Q CB 0.673 29.508 28.738 0.161 0.000 1.253 348 Q HN 0.618 nan 8.270 nan 0.000 0.457 349 Y N 1.206 121.633 120.300 0.211 0.000 2.307 349 Y HA 0.588 5.137 4.550 -0.001 0.000 0.324 349 Y C 0.454 176.449 175.900 0.158 0.000 1.238 349 Y CA 0.057 58.255 58.100 0.164 0.000 1.280 349 Y CB 1.752 40.323 38.460 0.185 0.000 1.248 349 Y HN 0.697 nan 8.280 nan 0.000 0.508 350 S N 0.401 116.275 115.700 0.290 0.000 2.546 350 S HA 0.803 5.273 4.470 -0.001 0.000 0.274 350 S C -1.660 173.059 174.600 0.198 0.000 1.121 350 S CA -0.926 57.410 58.200 0.226 0.000 0.887 350 S CB 1.491 64.792 63.200 0.167 0.000 1.094 350 S HN 0.325 nan 8.310 nan 0.000 0.474 351 V N 2.257 122.282 119.914 0.186 0.000 2.487 351 V HA 0.508 4.627 4.120 -0.001 0.000 0.298 351 V C 0.140 176.277 176.094 0.072 0.000 1.028 351 V CA -0.811 61.572 62.300 0.139 0.000 0.860 351 V CB 0.697 32.636 31.823 0.193 0.000 0.991 351 V HN 1.145 nan 8.190 nan 0.000 0.427 352 N N 3.663 122.342 118.700 -0.035 0.000 2.735 352 N HA -0.234 4.505 4.740 -0.001 0.000 0.248 352 N C 1.075 176.613 175.510 0.047 0.000 1.083 352 N CA 0.696 53.672 53.050 -0.123 0.000 0.703 352 N CB -0.792 37.346 38.487 -0.582 0.000 1.005 352 N HN 1.434 nan 8.380 nan 0.000 0.550 353 G N -1.260 107.591 108.800 0.085 0.000 2.199 353 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.254 353 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.254 353 G C -0.144 174.847 174.900 0.152 0.000 0.982 353 G CA 0.429 45.597 45.100 0.113 0.000 0.632 353 G HN 0.246 nan 8.290 nan 0.000 0.529 354 K N 1.713 122.232 120.400 0.199 0.000 2.253 354 K HA 0.464 4.783 4.320 -0.001 0.000 0.277 354 K C -2.495 174.232 176.600 0.212 0.000 1.053 354 K CA -2.130 54.288 56.287 0.219 0.000 0.892 354 K CB 1.928 34.603 32.500 0.292 0.000 1.102 354 K HN 0.178 nan 8.250 nan 0.000 0.469 355 P HA 0.203 nan 4.420 nan 0.000 0.271 355 P C -0.619 176.853 177.300 0.285 0.000 1.218 355 P CA -0.579 62.672 63.100 0.251 0.000 0.780 355 P CB 0.608 32.456 31.700 0.247 0.000 0.901 356 L N 2.350 123.739 121.223 0.276 0.000 2.431 356 L HA 0.399 4.738 4.340 -0.001 0.000 0.266 356 L C -0.611 176.246 176.870 -0.023 0.000 0.978 356 L CA -0.889 54.027 54.840 0.127 0.000 0.822 356 L CB 1.681 43.809 42.059 0.116 0.000 1.310 356 L HN 0.227 nan 8.230 nan 0.000 0.409 357 L N 4.595 125.493 121.223 -0.541 0.000 2.361 357 L HA 0.393 4.732 4.340 -0.001 0.000 0.278 357 L C -0.340 176.378 176.870 -0.254 0.000 1.113 357 L CA 0.219 54.697 54.840 -0.603 0.000 0.849 357 L CB 0.167 41.590 42.059 -1.061 0.000 1.155 357 L HN 0.294 nan 8.230 nan 0.000 0.452 358 I N 6.185 126.668 120.570 -0.145 0.000 2.533 358 I HA 0.159 4.328 4.170 -0.001 0.000 0.284 358 I C 0.371 176.390 176.117 -0.163 0.000 1.109 358 I CA 0.405 61.633 61.300 -0.119 0.000 1.412 358 I CB 0.082 38.054 38.000 -0.045 0.000 1.396 358 I HN 0.652 nan 8.210 nan 0.000 0.543 359 R N 4.329 124.783 120.500 -0.077 0.000 2.468 359 R HA 0.661 5.000 4.340 -0.001 0.000 0.302 359 R C -0.012 176.321 176.300 0.055 0.000 1.041 359 R CA -0.457 55.654 56.100 0.019 0.000 0.899 359 R CB 2.120 32.420 30.300 0.001 0.000 1.167 359 R HN 0.890 nan 8.270 nan 0.000 0.483 360 G N 0.437 109.316 108.800 0.133 0.000 2.706 360 G HA2 0.710 4.670 3.960 -0.001 0.000 0.307 360 G HA3 0.710 4.670 3.960 -0.001 0.000 0.307 360 G C -1.273 173.740 174.900 0.188 0.000 1.307 360 G CA -0.632 44.537 45.100 0.114 0.000 0.790 360 G HN 0.572 nan 8.290 nan 0.000 0.503 361 G N -1.792 107.096 108.800 0.146 0.000 2.660 361 G HA2 0.648 4.607 3.960 -0.001 0.000 0.294 361 G HA3 0.648 4.607 3.960 -0.001 0.000 0.294 361 G C -0.239 174.708 174.900 0.078 0.000 1.369 361 G CA 0.102 45.286 45.100 0.140 0.000 0.912 361 G HN 1.206 nan 8.290 nan 0.000 0.479 362 G N -0.578 108.198 108.800 -0.040 0.000 2.360 362 G HA2 0.426 4.386 3.960 -0.001 0.000 0.279 362 G HA3 0.426 4.386 3.960 -0.001 0.000 0.279 362 G C -0.606 174.096 174.900 -0.330 0.000 1.189 362 G CA -0.101 44.874 45.100 -0.208 0.000 0.941 362 G HN 0.619 nan 8.290 nan 0.000 0.445 363 Y N 2.445 122.622 120.300 -0.206 0.000 2.299 363 Y HA 0.583 5.133 4.550 -0.001 0.000 0.326 363 Y C 0.444 176.225 175.900 -0.198 0.000 1.164 363 Y CA -0.257 57.756 58.100 -0.146 0.000 1.234 363 Y CB 1.923 40.409 38.460 0.043 0.000 1.219 363 Y HN 0.519 nan 8.280 nan 0.000 0.497 364 T N 8.184 122.110 114.554 -1.047 0.000 2.893 364 T HA 0.528 4.877 4.350 -0.001 0.000 0.293 364 T C -2.923 171.303 174.700 -0.790 0.000 1.027 364 T CA -2.236 59.477 62.100 -0.646 0.000 0.988 364 T CB 1.466 70.157 68.868 -0.296 0.000 1.043 364 T HN 0.539 nan 8.240 nan 0.000 0.461 365 P HA 0.254 nan 4.420 nan 0.000 0.279 365 P C -0.565 176.790 177.300 0.091 0.000 1.282 365 P CA -0.311 62.827 63.100 0.064 0.000 0.788 365 P CB 0.284 32.154 31.700 0.283 0.000 1.139 366 D N -0.717 119.757 120.400 0.123 0.000 2.525 366 D HA -0.103 4.537 4.640 -0.001 0.000 0.235 366 D C 1.265 177.499 176.300 -0.110 0.000 1.137 366 D CA -0.121 53.910 54.000 0.053 0.000 0.868 366 D CB 0.181 41.069 40.800 0.147 0.000 1.180 366 D HN 0.071 nan 8.370 nan 0.000 0.465 367 L N 3.803 124.689 121.223 -0.563 0.000 2.189 367 L HA -0.096 4.243 4.340 -0.001 0.000 0.214 367 L C 0.831 177.154 176.870 -0.911 0.000 1.097 367 L CA 1.751 55.820 54.840 -1.285 0.000 0.764 367 L CB -0.420 40.654 42.059 -1.641 0.000 0.900 367 L HN 0.541 nan 8.230 nan 0.000 0.436 368 F N -1.457 118.517 119.950 0.040 0.000 2.668 368 F HA 0.363 4.890 4.527 -0.001 0.000 0.301 368 F C 0.999 176.891 175.800 0.154 0.000 1.106 368 F CA -0.715 57.349 58.000 0.106 0.000 1.289 368 F CB -0.396 38.648 39.000 0.074 0.000 1.006 368 F HN -0.205 nan 8.300 nan 0.000 0.535 369 L N 0.099 121.488 121.223 0.277 0.000 3.839 369 L HA -0.308 4.031 4.340 -0.001 0.000 0.416 369 L C 0.276 177.322 176.870 0.292 0.000 1.195 369 L CA 0.355 55.374 54.840 0.299 0.000 0.946 369 L CB -1.606 40.621 42.059 0.279 0.000 1.891 369 L HN 0.259 nan 8.230 nan 0.000 0.963 370 R N 0.807 121.469 120.500 0.270 0.000 2.370 370 R HA 0.109 4.448 4.340 -0.001 0.000 0.309 370 R C 0.093 176.562 176.300 0.282 0.000 1.059 370 R CA -0.104 56.142 56.100 0.243 0.000 0.981 370 R CB 0.614 31.019 30.300 0.174 0.000 0.972 370 R HN 0.292 nan 8.270 nan 0.000 0.437 371 W N 5.388 126.765 121.300 0.129 0.000 2.469 371 W HA 0.293 4.952 4.660 -0.001 0.000 0.320 371 W C -1.154 175.436 176.519 0.118 0.000 1.086 371 W CA -0.544 56.881 57.345 0.133 0.000 1.211 371 W CB 1.307 30.847 29.460 0.134 0.000 1.298 371 W HN 0.489 nan 8.180 nan 0.000 0.525 372 N N 4.367 122.479 118.700 -0.980 0.000 2.478 372 N HA -0.019 4.721 4.740 -0.001 0.000 0.291 372 N C 0.300 175.100 175.510 -1.183 0.000 1.090 372 N CA -0.096 52.457 53.050 -0.830 0.000 0.911 372 N CB 1.856 40.142 38.487 -0.336 0.000 1.546 372 N HN 0.704 nan 8.380 nan 0.000 0.500 373 E N 1.614 121.325 120.200 -0.815 0.000 2.077 373 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 373 E C 0.732 177.186 176.600 -0.243 0.000 0.989 373 E CA 1.770 57.940 56.400 -0.385 0.000 0.800 373 E CB 0.368 30.132 29.700 0.107 0.000 0.746 373 E HN 0.637 nan 8.360 nan 0.000 0.452 374 T N 0.509 114.951 114.554 -0.187 0.000 2.737 374 T HA -0.127 4.222 4.350 -0.001 0.000 0.265 374 T C 1.872 176.478 174.700 -0.157 0.000 1.038 374 T CA 1.196 63.220 62.100 -0.126 0.000 1.144 374 T CB -0.330 68.486 68.868 -0.086 0.000 0.866 374 T HN 0.320 nan 8.240 nan 0.000 0.434 375 A N 1.682 124.384 122.820 -0.198 0.000 1.892 375 A HA 0.002 4.321 4.320 -0.001 0.000 0.218 375 A C 2.657 180.159 177.584 -0.138 0.000 1.188 375 A CA 2.125 54.060 52.037 -0.171 0.000 0.631 375 A CB -1.235 17.670 19.000 -0.158 0.000 0.822 375 A HN 0.525 nan 8.150 nan 0.000 0.447 376 A N -0.278 122.431 122.820 -0.186 0.000 1.883 376 A HA 0.124 4.443 4.320 -0.001 0.000 0.217 376 A C 2.541 180.095 177.584 -0.050 0.000 1.186 376 A CA 2.340 54.366 52.037 -0.018 0.000 0.624 376 A CB -1.116 17.877 19.000 -0.011 0.000 0.822 376 A HN 1.171 nan 8.150 nan 0.000 0.444 377 A N -0.090 122.673 122.820 -0.095 0.000 1.933 377 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 377 A C 1.738 179.254 177.584 -0.113 0.000 1.175 377 A CA 1.910 53.887 52.037 -0.099 0.000 0.628 377 A CB -0.580 18.378 19.000 -0.069 0.000 0.814 377 A HN 0.477 nan 8.150 nan 0.000 0.444 378 D N -0.153 120.155 120.400 -0.152 0.000 2.144 378 D HA -0.107 4.532 4.640 -0.001 0.000 0.199 378 D C 1.926 177.996 176.300 -0.383 0.000 0.984 378 D CA 1.341 55.189 54.000 -0.254 0.000 0.834 378 D CB -0.238 40.377 40.800 -0.308 0.000 0.955 378 D HN 0.507 nan 8.370 nan 0.000 0.465 379 K N 0.123 120.368 120.400 -0.258 0.000 2.057 379 K HA 0.001 4.321 4.320 -0.001 0.000 0.206 379 K C 2.301 178.921 176.600 0.032 0.000 1.050 379 K CA 0.519 56.713 56.287 -0.155 0.000 0.935 379 K CB -0.084 32.584 32.500 0.279 0.000 0.715 379 K HN 0.117 nan 8.250 nan 0.000 0.439 380 L N 1.078 122.290 121.223 -0.018 0.000 2.093 380 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 380 L C 2.188 179.058 176.870 0.001 0.000 1.085 380 L CA 1.208 56.018 54.840 -0.050 0.000 0.755 380 L CB -0.241 41.678 42.059 -0.234 0.000 0.904 380 L HN 0.093 nan 8.230 nan 0.000 0.435 381 K N -0.961 119.437 120.400 -0.004 0.000 2.147 381 K HA -0.196 4.123 4.320 -0.001 0.000 0.205 381 K C 2.091 178.796 176.600 0.175 0.000 1.049 381 K CA 1.317 57.637 56.287 0.055 0.000 0.936 381 K CB -0.169 32.355 32.500 0.041 0.000 0.722 381 K HN 0.133 nan 8.250 nan 0.000 0.446 382 Y N 0.737 121.003 120.300 -0.055 0.000 2.293 382 Y HA -0.179 4.371 4.550 -0.001 0.000 0.291 382 Y C 2.213 178.152 175.900 0.065 0.000 1.137 382 Y CA 0.177 58.278 58.100 0.002 0.000 1.202 382 Y CB -0.640 37.691 38.460 -0.215 0.000 0.990 382 Y HN -0.211 nan 8.280 nan 0.000 0.537 383 V N 0.060 120.111 119.914 0.227 0.000 2.282 383 V HA -0.341 3.779 4.120 -0.001 0.000 0.249 383 V C 2.358 178.460 176.094 0.013 0.000 1.057 383 V CA 1.938 64.309 62.300 0.119 0.000 1.032 383 V CB -0.829 31.053 31.823 0.098 0.000 0.645 383 V HN 0.348 nan 8.190 nan 0.000 0.447 384 L N -0.089 121.146 121.223 0.019 0.000 2.179 384 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 384 L C 2.462 179.316 176.870 -0.028 0.000 1.096 384 L CA 1.485 56.315 54.840 -0.018 0.000 0.779 384 L CB -0.774 41.280 42.059 -0.008 0.000 0.922 384 L HN 0.477 nan 8.230 nan 0.000 0.443 385 N N 1.068 119.771 118.700 0.006 0.000 2.223 385 N HA -0.168 4.572 4.740 -0.001 0.000 0.185 385 N C 1.927 177.393 175.510 -0.073 0.000 1.016 385 N CA 0.966 54.017 53.050 0.002 0.000 0.863 385 N CB 0.116 38.627 38.487 0.040 0.000 0.983 385 N HN 0.327 nan 8.380 nan 0.000 0.429 386 L N -0.035 121.083 121.223 -0.175 0.000 2.275 386 L HA -0.017 4.323 4.340 -0.001 0.000 0.215 386 L C 1.557 178.245 176.870 -0.304 0.000 1.119 386 L CA 0.952 55.580 54.840 -0.354 0.000 0.790 386 L CB -0.362 41.433 42.059 -0.439 0.000 0.919 386 L HN 0.420 nan 8.230 nan 0.000 0.443 387 G N -0.189 108.490 108.800 -0.202 0.000 2.157 387 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.248 387 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.248 387 G C 0.235 175.007 174.900 -0.214 0.000 0.979 387 G CA -0.162 44.821 45.100 -0.193 0.000 0.650 387 G HN 0.199 nan 8.290 nan 0.000 0.529 388 L N 0.313 121.407 121.223 -0.215 0.000 2.453 388 L HA 0.400 4.740 4.340 -0.001 0.000 0.261 388 L C 1.514 178.329 176.870 -0.092 0.000 1.179 388 L CA 0.020 54.750 54.840 -0.182 0.000 0.813 388 L CB 0.712 42.675 42.059 -0.159 0.000 1.110 388 L HN 0.348 nan 8.230 nan 0.000 0.466 389 N N -1.795 116.868 118.700 -0.061 0.000 2.197 389 N HA 0.061 4.801 4.740 -0.001 0.000 0.201 389 N C -0.344 175.172 175.510 0.011 0.000 1.148 389 N CA -0.166 52.870 53.050 -0.023 0.000 0.883 389 N CB 0.821 39.295 38.487 -0.023 0.000 1.012 389 N HN 0.486 nan 8.380 nan 0.000 0.507 390 T N 0.059 114.623 114.554 0.017 0.000 2.923 390 T HA 0.570 4.919 4.350 -0.001 0.000 0.311 390 T C -1.136 173.605 174.700 0.068 0.000 1.183 390 T CA -0.781 61.343 62.100 0.040 0.000 1.020 390 T CB 2.333 71.214 68.868 0.022 0.000 1.165 390 T HN 0.108 nan 8.240 nan 0.000 0.482 391 V N 0.244 120.211 119.914 0.088 0.000 2.604 391 V HA 0.771 4.891 4.120 -0.001 0.000 0.305 391 V C -0.322 175.857 176.094 0.141 0.000 1.043 391 V CA -1.185 61.194 62.300 0.132 0.000 0.888 391 V CB 1.769 33.697 31.823 0.174 0.000 0.995 391 V HN 0.875 nan 8.190 nan 0.000 0.429 392 R N 3.105 123.696 120.500 0.153 0.000 2.349 392 R HA 0.704 5.043 4.340 -0.001 0.000 0.299 392 R C -1.484 174.914 176.300 0.164 0.000 1.027 392 R CA -0.748 55.437 56.100 0.142 0.000 0.958 392 R CB 1.314 31.706 30.300 0.153 0.000 1.047 392 R HN 0.793 nan 8.270 nan 0.000 0.468 393 L N 3.971 125.276 121.223 0.136 0.000 2.313 393 L HA 0.279 4.618 4.340 -0.001 0.000 0.273 393 L C 0.023 176.966 176.870 0.122 0.000 1.028 393 L CA 0.066 55.005 54.840 0.165 0.000 0.871 393 L CB 1.408 43.560 42.059 0.156 0.000 1.242 393 L HN 0.590 nan 8.230 nan 0.000 0.434 394 E N 3.443 123.803 120.200 0.268 0.000 1.944 394 E HA 0.407 4.756 4.350 -0.001 0.000 0.272 394 E C 0.926 177.743 176.600 0.362 0.000 1.195 394 E CA 0.459 57.042 56.400 0.305 0.000 0.926 394 E CB 0.181 30.206 29.700 0.542 0.000 1.051 394 E HN 0.752 nan 8.360 nan 0.000 0.404 395 G N 4.375 113.227 108.800 0.087 0.000 2.575 395 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.267 395 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.267 395 G C -0.098 174.904 174.900 0.170 0.000 1.264 395 G CA 0.217 45.311 45.100 -0.009 0.000 0.935 395 G HN 1.007 nan 8.290 nan 0.000 0.568 396 H N -1.885 117.238 119.070 0.087 0.000 2.690 396 H HA -0.156 4.399 4.556 -0.001 0.000 0.309 396 H C 1.039 176.468 175.328 0.168 0.000 1.138 396 H CA 0.822 56.913 56.048 0.073 0.000 1.142 396 H CB -2.063 27.673 29.762 -0.042 0.000 1.410 396 H HN 0.746 nan 8.280 nan 0.000 0.409 397 I N 1.128 121.910 120.570 0.353 0.000 2.581 397 I HA -0.028 4.142 4.170 -0.001 0.000 0.285 397 I C 1.134 177.428 176.117 0.295 0.000 1.129 397 I CA 0.308 61.790 61.300 0.303 0.000 1.397 397 I CB 0.296 38.422 38.000 0.210 0.000 1.399 397 I HN 0.241 nan 8.210 nan 0.000 0.537 398 E N 7.754 128.045 120.200 0.153 0.000 2.408 398 E HA 0.186 4.536 4.350 -0.001 0.000 0.259 398 E C -2.054 174.635 176.600 0.148 0.000 1.110 398 E CA -1.404 55.017 56.400 0.036 0.000 0.929 398 E CB 0.178 29.616 29.700 -0.436 0.000 0.971 398 E HN 0.316 nan 8.360 nan 0.000 0.438 399 P HA -0.068 nan 4.420 nan 0.000 0.270 399 P C 0.241 177.574 177.300 0.055 0.000 1.221 399 P CA 0.027 63.040 63.100 -0.144 0.000 0.788 399 P CB 0.448 31.750 31.700 -0.662 0.000 0.904 400 D N 0.741 121.184 120.400 0.072 0.000 2.149 400 D HA -0.191 4.449 4.640 -0.001 0.000 0.194 400 D C 1.544 177.956 176.300 0.187 0.000 1.001 400 D CA 1.663 55.766 54.000 0.172 0.000 0.849 400 D CB -0.401 40.490 40.800 0.152 0.000 0.939 400 D HN 0.504 nan 8.370 nan 0.000 0.449 401 E N -0.163 120.121 120.200 0.141 0.000 2.118 401 E HA -0.156 4.193 4.350 -0.001 0.000 0.195 401 E C 1.808 178.576 176.600 0.280 0.000 0.992 401 E CA 0.425 56.971 56.400 0.242 0.000 0.804 401 E CB -0.422 29.504 29.700 0.377 0.000 0.741 401 E HN 0.331 nan 8.360 nan 0.000 0.458 402 F N 0.076 120.126 119.950 0.166 0.000 2.091 402 F HA -0.250 4.277 4.527 -0.001 0.000 0.299 402 F C 1.604 177.238 175.800 -0.276 0.000 1.103 402 F CA 1.520 59.507 58.000 -0.022 0.000 1.228 402 F CB -0.158 38.758 39.000 -0.141 0.000 0.984 402 F HN -0.025 nan 8.300 nan 0.000 0.477 403 F N 0.469 120.403 119.950 -0.027 0.000 2.259 403 F HA -0.134 4.393 4.527 -0.001 0.000 0.298 403 F C 2.315 177.959 175.800 -0.261 0.000 1.088 403 F CA 1.224 59.038 58.000 -0.310 0.000 1.358 403 F CB -0.826 37.769 39.000 -0.675 0.000 1.040 403 F HN -0.059 nan 8.300 nan 0.000 0.505 404 D N 0.617 121.043 120.400 0.043 0.000 2.104 404 D HA -0.170 4.469 4.640 -0.001 0.000 0.194 404 D C 2.407 178.751 176.300 0.073 0.000 0.994 404 D CA 1.450 55.547 54.000 0.161 0.000 0.830 404 D CB -0.418 40.490 40.800 0.180 0.000 0.959 404 D HN 0.248 nan 8.370 nan 0.000 0.452 405 I N 1.254 121.815 120.570 -0.015 0.000 2.179 405 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 405 I C 2.568 178.616 176.117 -0.116 0.000 1.088 405 I CA 1.074 62.330 61.300 -0.074 0.000 1.357 405 I CB -0.258 37.667 38.000 -0.126 0.000 1.051 405 I HN -0.090 nan 8.210 nan 0.000 0.409 406 A N 0.658 123.327 122.820 -0.252 0.000 1.908 406 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 406 A C 1.935 179.582 177.584 0.106 0.000 1.181 406 A CA 2.205 54.138 52.037 -0.174 0.000 0.627 406 A CB -0.679 18.126 19.000 -0.326 0.000 0.818 406 A HN 0.362 nan 8.150 nan 0.000 0.445 407 D N 0.412 120.904 120.400 0.154 0.000 2.092 407 D HA -0.147 4.493 4.640 -0.001 0.000 0.193 407 D C 1.392 177.949 176.300 0.428 0.000 0.994 407 D CA 1.640 55.832 54.000 0.320 0.000 0.828 407 D CB -0.536 40.380 40.800 0.193 0.000 0.963 407 D HN 0.392 nan 8.370 nan 0.000 0.450 408 D N -0.159 120.365 120.400 0.208 0.000 2.178 408 D HA -0.068 4.572 4.640 -0.001 0.000 0.201 408 D C 2.135 178.490 176.300 0.091 0.000 0.980 408 D CA 0.443 54.527 54.000 0.140 0.000 0.842 408 D CB -0.141 40.700 40.800 0.068 0.000 0.948 408 D HN 0.255 nan 8.370 nan 0.000 0.472 409 L N -0.964 120.301 121.223 0.070 0.000 2.446 409 L HA 0.196 4.535 4.340 -0.001 0.000 0.219 409 L C 1.369 178.245 176.870 0.009 0.000 1.116 409 L CA 0.434 55.284 54.840 0.017 0.000 0.844 409 L CB 0.005 42.055 42.059 -0.015 0.000 0.970 409 L HN 0.094 nan 8.230 nan 0.000 0.457 410 G N 0.802 109.662 108.800 0.100 0.000 2.171 410 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.238 410 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.238 410 G C -0.032 174.925 174.900 0.095 0.000 1.039 410 G CA -0.057 45.043 45.100 0.001 0.000 0.759 410 G HN 0.084 nan 8.290 nan 0.000 0.501 411 V N 1.691 121.694 119.914 0.148 0.000 2.406 411 V HA 0.485 4.605 4.120 -0.001 0.000 0.272 411 V C 1.192 177.388 176.094 0.170 0.000 1.043 411 V CA -0.639 61.717 62.300 0.093 0.000 0.915 411 V CB 1.338 33.155 31.823 -0.011 0.000 0.988 411 V HN 0.369 nan 8.190 nan 0.000 0.466 412 L N 5.004 126.329 121.223 0.169 0.000 2.439 412 L HA 0.491 4.831 4.340 -0.001 0.000 0.269 412 L C 0.664 177.600 176.870 0.111 0.000 1.179 412 L CA 0.051 54.993 54.840 0.172 0.000 0.828 412 L CB 0.941 43.075 42.059 0.126 0.000 1.106 412 L HN 0.801 nan 8.230 nan 0.000 0.467 413 T N -0.017 114.618 114.554 0.136 0.000 2.876 413 T HA 0.651 5.000 4.350 -0.001 0.000 0.289 413 T C -0.386 174.413 174.700 0.165 0.000 1.014 413 T CA -0.828 61.377 62.100 0.175 0.000 0.986 413 T CB 1.701 70.750 68.868 0.301 0.000 1.021 413 T HN 0.484 nan 8.240 nan 0.000 0.458 414 M N 3.686 123.372 119.600 0.142 0.000 2.634 414 M HA 0.308 4.788 4.480 -0.001 0.000 0.211 414 M C -2.531 173.793 176.300 0.040 0.000 1.019 414 M CA -1.917 53.445 55.300 0.105 0.000 0.834 414 M CB 1.324 33.981 32.600 0.095 0.000 1.376 414 M HN 0.461 nan 8.290 nan 0.000 0.465 415 P HA 0.612 nan 4.420 nan 0.000 0.276 415 P C -0.045 176.752 177.300 -0.839 0.000 1.252 415 P CA 0.174 63.137 63.100 -0.228 0.000 0.802 415 P CB 1.701 33.359 31.700 -0.071 0.000 1.035 416 G N -0.545 107.576 108.800 -1.132 0.000 2.320 416 G HA2 0.304 4.263 3.960 -0.001 0.000 0.296 416 G HA3 0.304 4.263 3.960 -0.001 0.000 0.296 416 G C -1.932 172.368 174.900 -1.000 0.000 1.306 416 G CA -0.978 43.093 45.100 -1.714 0.000 0.836 416 G HN 0.409 nan 8.290 nan 0.000 0.517 417 W N 0.940 121.885 121.300 -0.592 0.000 2.183 417 W HA 0.520 5.179 4.660 -0.001 0.000 0.348 417 W C 1.021 177.342 176.519 -0.330 0.000 1.257 417 W CA -0.522 56.475 57.345 -0.579 0.000 1.324 417 W CB 0.801 29.958 29.460 -0.505 0.000 1.144 417 W HN 0.683 nan 8.180 nan 0.000 0.622 418 E N 0.695 120.870 120.200 -0.042 0.000 2.232 418 E HA 0.445 4.795 4.350 -0.001 0.000 0.265 418 E C -0.092 176.592 176.600 0.139 0.000 1.001 418 E CA -0.895 55.531 56.400 0.044 0.000 0.870 418 E CB 1.329 31.005 29.700 -0.040 0.000 1.175 418 E HN 0.569 nan 8.360 nan 0.000 0.407 419 C N -0.316 119.067 119.300 0.139 0.000 2.411 419 C HA 0.470 4.930 4.460 -0.001 0.000 0.358 419 C C 1.064 176.134 174.990 0.133 0.000 1.349 419 C CA 0.076 59.189 59.018 0.159 0.000 2.326 419 C CB -0.425 27.396 27.740 0.134 0.000 2.166 419 C HN 1.044 nan 8.230 nan 0.000 0.609 420 C N 1.407 120.786 119.300 0.133 0.000 4.417 420 C HA -0.044 4.415 4.460 -0.001 0.000 0.284 420 C C -0.031 174.997 174.990 0.063 0.000 1.379 420 C CA 1.410 60.480 59.018 0.086 0.000 1.918 420 C CB -3.609 24.173 27.740 0.070 0.000 1.280 420 C HN 1.225 nan 8.230 nan 0.000 0.783 421 D N -1.940 118.515 120.400 0.092 0.000 3.309 421 D HA 0.408 5.047 4.640 -0.001 0.000 0.335 421 D C 0.543 176.891 176.300 0.080 0.000 1.393 421 D CA -0.160 53.879 54.000 0.065 0.000 0.963 421 D CB -0.022 40.802 40.800 0.040 0.000 1.431 421 D HN -0.168 nan 8.370 nan 0.000 0.583 422 K N -0.416 119.984 120.400 0.001 0.000 2.113 422 K HA -0.085 4.235 4.320 -0.001 0.000 0.208 422 K C 1.710 178.339 176.600 0.049 0.000 1.047 422 K CA 1.881 58.124 56.287 -0.073 0.000 0.928 422 K CB -0.685 31.631 32.500 -0.307 0.000 0.716 422 K HN 0.537 nan 8.250 nan 0.000 0.446 423 W N 1.065 122.434 121.300 0.115 0.000 2.304 423 W HA -0.163 4.496 4.660 -0.001 0.000 0.315 423 W C 1.627 178.279 176.519 0.221 0.000 1.233 423 W CA 1.716 59.173 57.345 0.187 0.000 1.261 423 W CB -0.183 29.308 29.460 0.052 0.000 1.150 423 W HN 0.213 nan 8.180 nan 0.000 0.494 424 E N -0.602 119.783 120.200 0.308 0.000 2.463 424 E HA 0.089 4.438 4.350 -0.001 0.000 0.193 424 E C 2.207 178.779 176.600 -0.046 0.000 1.041 424 E CA 0.195 56.669 56.400 0.122 0.000 0.879 424 E CB -0.031 29.781 29.700 0.186 0.000 0.997 424 E HN 0.301 nan 8.360 nan 0.000 0.478 425 G N 1.527 110.344 108.800 0.029 0.000 2.462 425 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.220 425 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.220 425 G C 1.607 176.413 174.900 -0.157 0.000 1.121 425 G CA 0.644 45.738 45.100 -0.011 0.000 0.758 425 G HN 0.158 nan 8.290 nan 0.000 0.559 426 Q N 0.248 119.788 119.800 -0.432 0.000 2.389 426 Q HA 0.072 4.412 4.340 -0.001 0.000 0.204 426 Q C 2.112 177.904 176.000 -0.347 0.000 0.944 426 Q CA 1.333 56.857 55.803 -0.465 0.000 0.908 426 Q CB 0.123 28.318 28.738 -0.905 0.000 1.002 426 Q HN 0.499 nan 8.270 nan 0.000 0.493 427 V N -2.921 116.780 119.914 -0.354 0.000 3.451 427 V HA 0.254 4.374 4.120 -0.001 0.000 0.288 427 V C 0.824 176.515 176.094 -0.672 0.000 1.502 427 V CA 0.530 62.625 62.300 -0.342 0.000 1.026 427 V CB -0.698 31.014 31.823 -0.186 0.000 0.840 427 V HN 0.481 nan 8.190 nan 0.000 0.437 428 N N 0.647 118.927 118.700 -0.701 0.000 2.235 428 N HA 0.415 5.155 4.740 -0.001 0.000 0.209 428 N C 1.255 176.366 175.510 -0.666 0.000 1.122 428 N CA 0.511 52.889 53.050 -1.119 0.000 0.845 428 N CB 0.796 38.978 38.487 -0.508 0.000 1.004 428 N HN 0.639 nan 8.380 nan 0.000 0.499 429 G N 2.787 111.323 108.800 -0.441 0.000 2.596 429 G HA2 -0.437 3.523 3.960 -0.001 0.000 0.304 429 G HA3 -0.437 3.523 3.960 -0.001 0.000 0.304 429 G C 0.577 175.388 174.900 -0.148 0.000 1.189 429 G CA 0.847 45.802 45.100 -0.242 0.000 0.986 429 G HN 0.506 nan 8.290 nan 0.000 0.548 430 E N 1.991 122.134 120.200 -0.095 0.000 2.489 430 E HA 0.281 4.630 4.350 -0.001 0.000 0.193 430 E C 1.096 177.673 176.600 -0.040 0.000 1.057 430 E CA 0.550 56.919 56.400 -0.051 0.000 0.866 430 E CB -0.171 29.514 29.700 -0.024 0.000 0.916 430 E HN 0.618 nan 8.360 nan 0.000 0.500 431 E N 1.562 121.731 120.200 -0.051 0.000 2.408 431 E HA -0.003 4.347 4.350 -0.001 0.000 0.259 431 E C 1.053 177.639 176.600 -0.025 0.000 1.110 431 E CA -0.178 56.208 56.400 -0.023 0.000 0.929 431 E CB 0.710 30.416 29.700 0.010 0.000 0.971 431 E HN -0.169 nan 8.360 nan 0.000 0.438 432 K N 0.892 121.291 120.400 -0.002 0.000 2.071 432 K HA -0.172 4.148 4.320 -0.001 0.000 0.217 432 K C 1.046 177.643 176.600 -0.005 0.000 1.054 432 K CA 1.352 57.640 56.287 0.001 0.000 0.937 432 K CB -1.115 31.393 32.500 0.013 0.000 0.719 432 K HN 0.611 nan 8.250 nan 0.000 0.454 433 G N 1.306 110.107 108.800 0.002 0.000 2.527 433 G HA2 0.151 4.111 3.960 -0.001 0.000 0.248 433 G HA3 0.151 4.111 3.960 -0.001 0.000 0.248 433 G C -0.655 174.246 174.900 0.002 0.000 1.231 433 G CA -0.401 44.701 45.100 0.004 0.000 0.838 433 G HN 0.173 nan 8.290 nan 0.000 0.570 434 E N 1.649 121.850 120.200 0.002 0.000 2.343 434 E HA 0.190 4.540 4.350 -0.001 0.000 0.269 434 E C -2.104 174.543 176.600 0.078 0.000 1.047 434 E CA -1.394 55.011 56.400 0.009 0.000 0.874 434 E CB 0.876 30.563 29.700 -0.022 0.000 1.033 434 E HN 0.228 nan 8.360 nan 0.000 0.409 435 P HA -0.136 nan 4.420 nan 0.000 0.266 435 P C -0.972 176.455 177.300 0.213 0.000 1.186 435 P CA 0.363 63.513 63.100 0.083 0.000 0.767 435 P CB 0.351 32.070 31.700 0.032 0.000 0.820 436 W N 2.109 123.328 121.300 -0.134 0.000 2.313 436 W HA 0.382 5.041 4.660 -0.001 0.000 0.328 436 W C 0.044 176.536 176.519 -0.045 0.000 1.197 436 W CA -0.284 56.947 57.345 -0.189 0.000 1.235 436 W CB 0.050 29.245 29.460 -0.441 0.000 1.158 436 W HN 0.122 nan 8.180 nan 0.000 0.578 437 V N -0.127 119.862 119.914 0.125 0.000 3.103 437 V HA 0.472 4.591 4.120 -0.001 0.000 0.318 437 V C 0.961 177.185 176.094 0.217 0.000 1.114 437 V CA -0.793 61.589 62.300 0.136 0.000 1.020 437 V CB 1.796 33.633 31.823 0.024 0.000 1.085 437 V HN 0.556 nan 8.190 nan 0.000 0.446 438 E N 1.559 121.871 120.200 0.186 0.000 2.114 438 E HA -0.192 4.157 4.350 -0.001 0.000 0.199 438 E C 2.267 178.959 176.600 0.153 0.000 1.008 438 E CA 2.126 58.641 56.400 0.193 0.000 0.810 438 E CB -0.500 29.231 29.700 0.051 0.000 0.739 438 E HN 1.031 nan 8.360 nan 0.000 0.456 439 S N 0.806 116.519 115.700 0.020 0.000 2.474 439 S HA -0.112 4.357 4.470 -0.001 0.000 0.235 439 S C 1.345 175.851 174.600 -0.157 0.000 0.997 439 S CA 0.904 59.069 58.200 -0.059 0.000 0.949 439 S CB -0.010 63.133 63.200 -0.095 0.000 0.766 439 S HN 0.059 nan 8.310 nan 0.000 0.517 440 D N 0.730 120.976 120.400 -0.256 0.000 2.224 440 D HA -0.006 4.633 4.640 -0.001 0.000 0.205 440 D C 1.386 177.307 176.300 -0.632 0.000 0.965 440 D CA 0.963 54.571 54.000 -0.654 0.000 0.852 440 D CB -0.312 39.816 40.800 -1.120 0.000 0.947 440 D HN 0.517 nan 8.370 nan 0.000 0.494 441 Y N 0.945 121.120 120.300 -0.210 0.000 2.133 441 Y HA -0.076 4.473 4.550 -0.001 0.000 0.287 441 Y C -0.328 175.532 175.900 -0.067 0.000 1.134 441 Y CA 1.084 59.164 58.100 -0.034 0.000 1.133 441 Y CB -1.558 36.943 38.460 0.067 0.000 0.987 441 Y HN 0.126 nan 8.280 nan 0.000 0.502 442 P HA -0.124 nan 4.420 nan 0.000 0.221 442 P C 1.349 178.629 177.300 -0.032 0.000 1.150 442 P CA 1.569 64.678 63.100 0.016 0.000 0.800 442 P CB -0.095 31.605 31.700 -0.000 0.000 0.787 443 I N 0.159 120.656 120.570 -0.121 0.000 2.202 443 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 443 I C 2.584 178.626 176.117 -0.126 0.000 1.091 443 I CA 1.481 62.690 61.300 -0.152 0.000 1.368 443 I CB -0.907 36.928 38.000 -0.276 0.000 1.058 443 I HN -0.090 nan 8.210 nan 0.000 0.410 444 A N 0.824 123.515 122.820 -0.215 0.000 1.902 444 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 444 A C 2.397 180.164 177.584 0.305 0.000 1.181 444 A CA 1.973 54.004 52.037 -0.011 0.000 0.623 444 A CB -0.525 18.461 19.000 -0.023 0.000 0.818 444 A HN 0.379 nan 8.150 nan 0.000 0.443 445 K N -0.307 120.218 120.400 0.209 0.000 2.097 445 K HA -0.016 4.303 4.320 -0.001 0.000 0.205 445 K C 2.028 178.763 176.600 0.224 0.000 1.050 445 K CA 1.177 57.614 56.287 0.251 0.000 0.938 445 K CB -0.313 32.277 32.500 0.150 0.000 0.718 445 K HN 0.334 nan 8.250 nan 0.000 0.442 446 A N 0.354 123.258 122.820 0.140 0.000 2.015 446 A HA -0.064 4.255 4.320 -0.001 0.000 0.219 446 A C 2.049 179.743 177.584 0.183 0.000 1.163 446 A CA 1.647 53.758 52.037 0.124 0.000 0.646 446 A CB -0.341 18.679 19.000 0.033 0.000 0.806 446 A HN 0.344 nan 8.150 nan 0.000 0.448 447 S N -0.816 115.015 115.700 0.218 0.000 2.357 447 S HA -0.139 4.331 4.470 -0.001 0.000 0.221 447 S C 1.985 176.781 174.600 0.327 0.000 1.031 447 S CA 1.712 60.094 58.200 0.303 0.000 0.982 447 S CB -0.320 63.100 63.200 0.366 0.000 0.853 447 S HN 0.590 nan 8.310 nan 0.000 0.458 448 M N 1.061 120.881 119.600 0.367 0.000 2.117 448 M HA -0.039 4.440 4.480 -0.001 0.000 0.262 448 M C 1.710 177.974 176.300 -0.061 0.000 1.065 448 M CA 1.443 56.831 55.300 0.146 0.000 1.114 448 M CB -0.604 32.138 32.600 0.236 0.000 1.361 448 M HN 0.307 nan 8.290 nan 0.000 0.408 449 F N -0.093 119.834 119.950 -0.039 0.000 2.069 449 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 449 F C 2.249 177.973 175.800 -0.126 0.000 1.113 449 F CA 2.207 60.150 58.000 -0.094 0.000 1.214 449 F CB -0.803 38.166 39.000 -0.051 0.000 0.978 449 F HN 0.154 nan 8.300 nan 0.000 0.474 450 S N 0.066 115.764 115.700 -0.004 0.000 2.370 450 S HA -0.187 4.282 4.470 -0.001 0.000 0.226 450 S C 1.878 176.365 174.600 -0.187 0.000 1.033 450 S CA 1.395 59.549 58.200 -0.077 0.000 1.011 450 S CB -0.350 62.883 63.200 0.055 0.000 0.852 450 S HN 0.418 nan 8.310 nan 0.000 0.457 451 E N 1.317 121.400 120.200 -0.194 0.000 2.072 451 E HA 0.026 4.375 4.350 -0.001 0.000 0.190 451 E C 2.362 178.664 176.600 -0.497 0.000 0.982 451 E CA 1.000 57.214 56.400 -0.311 0.000 0.803 451 E CB -0.529 28.921 29.700 -0.418 0.000 0.755 451 E HN 0.462 nan 8.360 nan 0.000 0.453 452 A N 1.400 123.815 122.820 -0.675 0.000 1.933 452 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 452 A C 2.130 179.462 177.584 -0.420 0.000 1.175 452 A CA 1.822 53.436 52.037 -0.705 0.000 0.628 452 A CB -0.490 18.048 19.000 -0.769 0.000 0.814 452 A HN 0.325 nan 8.150 nan 0.000 0.444 453 E N -0.388 119.464 120.200 -0.579 0.000 2.110 453 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 453 E C 2.244 178.678 176.600 -0.277 0.000 0.988 453 E CA 1.010 57.096 56.400 -0.523 0.000 0.804 453 E CB -0.123 29.167 29.700 -0.683 0.000 0.745 453 E HN 0.592 nan 8.360 nan 0.000 0.458 454 R N -0.189 120.181 120.500 -0.217 0.000 2.075 454 R HA -0.011 4.328 4.340 -0.001 0.000 0.232 454 R C 2.415 178.684 176.300 -0.051 0.000 1.126 454 R CA 1.146 57.184 56.100 -0.104 0.000 0.963 454 R CB 0.001 30.239 30.300 -0.102 0.000 0.858 454 R HN 0.278 nan 8.270 nan 0.000 0.435 455 L N 0.376 121.534 121.223 -0.108 0.000 2.416 455 L HA 0.043 4.383 4.340 -0.001 0.000 0.216 455 L C 2.412 179.315 176.870 0.055 0.000 1.098 455 L CA 0.257 55.062 54.840 -0.059 0.000 0.840 455 L CB -0.262 41.711 42.059 -0.145 0.000 0.981 455 L HN 0.184 nan 8.230 nan 0.000 0.462 456 R N -0.076 120.454 120.500 0.050 0.000 2.139 456 R HA -0.176 4.163 4.340 -0.001 0.000 0.243 456 R C 0.398 176.622 176.300 -0.127 0.000 1.145 456 R CA 1.797 57.874 56.100 -0.040 0.000 0.976 456 R CB -0.464 29.804 30.300 -0.053 0.000 0.866 456 R HN 0.215 nan 8.270 nan 0.000 0.449 457 D N 0.127 120.442 120.400 -0.142 0.000 2.368 457 D HA 0.098 4.737 4.640 -0.001 0.000 0.218 457 D C -0.475 175.649 176.300 -0.294 0.000 1.112 457 D CA 0.094 53.995 54.000 -0.166 0.000 0.834 457 D CB 0.093 40.825 40.800 -0.115 0.000 0.953 457 D HN 0.279 nan 8.370 nan 0.000 0.505 458 H N 1.119 120.124 119.070 -0.108 0.000 2.705 458 H HA 0.126 4.681 4.556 -0.001 0.000 0.291 458 H C -1.409 173.750 175.328 -0.282 0.000 1.085 458 H CA -1.451 54.513 56.048 -0.140 0.000 1.357 458 H CB 1.551 31.282 29.762 -0.052 0.000 1.419 458 H HN -0.019 nan 8.280 nan 0.000 0.462 459 P HA -0.126 nan 4.420 nan 0.000 0.226 459 P C 1.443 178.135 177.300 -1.013 0.000 1.153 459 P CA 0.742 63.331 63.100 -0.851 0.000 0.777 459 P CB 0.308 31.140 31.700 -1.447 0.000 0.794 460 S N -0.574 114.744 115.700 -0.636 0.000 2.382 460 S HA -0.063 4.407 4.470 -0.001 0.000 0.228 460 S C 1.125 175.727 174.600 0.002 0.000 1.027 460 S CA 0.450 58.544 58.200 -0.176 0.000 0.991 460 S CB -1.689 61.564 63.200 0.088 0.000 0.823 460 S HN -0.047 nan 8.310 nan 0.000 0.469 461 V N 3.983 123.914 119.914 0.027 0.000 2.493 461 V HA 0.120 4.239 4.120 -0.001 0.000 0.292 461 V C 1.267 177.381 176.094 0.032 0.000 1.016 461 V CA 0.394 62.745 62.300 0.085 0.000 1.097 461 V CB 0.067 31.937 31.823 0.078 0.000 0.947 461 V HN 0.646 nan 8.190 nan 0.000 0.479 462 I N 1.999 122.623 120.570 0.090 0.000 4.181 462 I HA 0.404 4.574 4.170 -0.001 0.000 0.331 462 I C 0.597 176.845 176.117 0.219 0.000 1.312 462 I CA 0.111 61.484 61.300 0.121 0.000 1.146 462 I CB 0.586 38.638 38.000 0.088 0.000 1.074 462 I HN 0.654 nan 8.210 nan 0.000 0.402 463 S N -0.144 115.683 115.700 0.211 0.000 2.627 463 S HA 0.537 5.006 4.470 -0.001 0.000 0.268 463 S C -1.451 173.316 174.600 0.278 0.000 1.130 463 S CA -0.704 57.637 58.200 0.235 0.000 0.819 463 S CB 1.597 64.947 63.200 0.249 0.000 1.100 463 S HN 0.192 nan 8.310 nan 0.000 0.465 464 F N 1.768 121.772 119.950 0.089 0.000 2.493 464 F HA 0.475 5.002 4.527 -0.001 0.000 0.329 464 F C -0.008 175.678 175.800 -0.189 0.000 1.126 464 F CA -0.377 57.563 58.000 -0.100 0.000 0.937 464 F CB 1.424 40.233 39.000 -0.318 0.000 1.146 464 F HN 0.743 nan 8.300 nan 0.000 0.442 465 H N 7.853 126.617 119.070 -0.510 0.000 2.934 465 H HA 0.201 4.756 4.556 -0.001 0.000 0.273 465 H C 1.219 176.345 175.328 -0.336 0.000 1.121 465 H CA 0.333 56.183 56.048 -0.331 0.000 1.451 465 H CB 1.081 30.652 29.762 -0.318 0.000 1.469 465 H HN 0.783 nan 8.280 nan 0.000 0.476 466 I N 0.582 121.169 120.570 0.029 0.000 3.428 466 I HA 0.262 4.431 4.170 -0.001 0.000 0.286 466 I C 0.894 177.206 176.117 0.324 0.000 1.287 466 I CA 0.106 61.494 61.300 0.147 0.000 1.396 466 I CB 0.502 38.636 38.000 0.224 0.000 1.062 466 I HN 0.307 nan 8.210 nan 0.000 0.471 467 G N -0.446 108.495 108.800 0.235 0.000 2.708 467 G HA2 0.488 4.448 3.960 -0.001 0.000 0.289 467 G HA3 0.488 4.448 3.960 -0.001 0.000 0.289 467 G C -0.718 174.298 174.900 0.192 0.000 1.416 467 G CA 0.186 45.441 45.100 0.259 0.000 0.829 467 G HN -0.003 nan 8.290 nan 0.000 0.480 468 S N -1.268 114.530 115.700 0.163 0.000 3.026 468 S HA 0.198 4.667 4.470 -0.001 0.000 0.169 468 S C 1.403 176.019 174.600 0.026 0.000 0.680 468 S CA 1.232 59.480 58.200 0.079 0.000 0.826 468 S CB -0.378 62.865 63.200 0.073 0.000 0.779 468 S HN 0.602 nan 8.310 nan 0.000 0.664 469 D N 0.958 121.364 120.400 0.010 0.000 1.592 469 D HA -0.183 4.456 4.640 -0.001 0.000 0.613 469 D C -0.022 176.218 176.300 -0.101 0.000 0.869 469 D CA 1.688 55.663 54.000 -0.041 0.000 1.669 469 D CB -0.646 40.152 40.800 -0.003 0.000 1.095 469 D HN 0.329 nan 8.370 nan 0.000 0.363 470 F N 0.114 120.088 119.950 0.041 0.000 2.443 470 F HA 0.442 4.968 4.527 -0.001 0.000 0.353 470 F C 0.975 176.814 175.800 0.066 0.000 1.101 470 F CA -0.530 57.492 58.000 0.038 0.000 1.226 470 F CB 0.808 39.816 39.000 0.013 0.000 1.140 470 F HN 0.105 nan 8.300 nan 0.000 0.557 471 A N 5.089 128.029 122.820 0.199 0.000 2.351 471 A HA 0.503 4.822 4.320 -0.001 0.000 0.257 471 A C -2.237 175.449 177.584 0.171 0.000 1.087 471 A CA -1.489 50.651 52.037 0.171 0.000 0.798 471 A CB -0.344 18.726 19.000 0.116 0.000 1.033 471 A HN 0.465 nan 8.150 nan 0.000 0.488 472 P HA 0.155 nan 4.420 nan 0.000 0.272 472 P C -0.700 176.620 177.300 0.033 0.000 1.230 472 P CA -0.220 62.937 63.100 0.096 0.000 0.788 472 P CB 0.398 32.201 31.700 0.172 0.000 0.949 473 D N 0.658 121.029 120.400 -0.048 0.000 0.000 473 D HA 0.015 4.654 4.640 -0.001 0.000 0.000 473 D C 1.345 177.633 176.300 -0.020 0.000 0.000 473 D CA -0.325 53.653 54.000 -0.036 0.000 0.000 473 D CB 0.381 41.138 40.800 -0.071 0.000 0.000 473 D HN 0.346 nan 8.370 nan 0.000 0.000 474 R N -0.508 119.984 120.500 -0.013 0.000 2.081 474 R HA -0.135 4.205 4.340 -0.001 0.000 0.235 474 R C 2.319 178.612 176.300 -0.012 0.000 1.131 474 R CA 1.141 57.238 56.100 -0.004 0.000 0.960 474 R CB -0.121 30.176 30.300 -0.005 0.000 0.856 474 R HN 0.546 nan 8.270 nan 0.000 0.436 475 R N 0.474 120.962 120.500 -0.020 0.000 2.066 475 R HA -0.085 4.254 4.340 -0.001 0.000 0.232 475 R C 2.235 178.534 176.300 -0.002 0.000 1.131 475 R CA 1.735 57.825 56.100 -0.016 0.000 0.955 475 R CB -0.271 30.008 30.300 -0.036 0.000 0.851 475 R HN 0.282 nan 8.270 nan 0.000 0.432 476 I N 0.707 121.256 120.570 -0.035 0.000 2.179 476 I HA -0.251 3.918 4.170 -0.001 0.000 0.242 476 I C 2.584 178.515 176.117 -0.309 0.000 1.088 476 I CA 1.552 62.732 61.300 -0.199 0.000 1.357 476 I CB -0.415 37.359 38.000 -0.376 0.000 1.051 476 I HN 0.385 nan 8.210 nan 0.000 0.409 477 E N 0.751 120.893 120.200 -0.097 0.000 2.058 477 E HA -0.340 4.009 4.350 -0.001 0.000 0.194 477 E C 2.190 178.827 176.600 0.061 0.000 0.997 477 E CA 1.558 57.990 56.400 0.053 0.000 0.801 477 E CB -0.011 29.743 29.700 0.091 0.000 0.746 477 E HN 0.308 nan 8.360 nan 0.000 0.450 478 Q N 0.056 119.869 119.800 0.022 0.000 2.096 478 Q HA -0.120 4.220 4.340 -0.001 0.000 0.204 478 Q C 1.977 178.003 176.000 0.044 0.000 0.982 478 Q CA 2.152 57.976 55.803 0.035 0.000 0.850 478 Q CB -0.816 27.931 28.738 0.015 0.000 0.901 478 Q HN 0.377 nan 8.270 nan 0.000 0.422 479 G N -1.285 107.518 108.800 0.005 0.000 2.422 479 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 479 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 479 G C 0.855 175.837 174.900 0.137 0.000 1.146 479 G CA 0.890 46.011 45.100 0.035 0.000 0.769 479 G HN 0.355 nan 8.290 nan 0.000 0.547 480 Y N 0.761 121.151 120.300 0.150 0.000 2.163 480 Y HA 0.068 4.617 4.550 -0.001 0.000 0.288 480 Y C 2.824 178.761 175.900 0.063 0.000 1.136 480 Y CA 0.239 58.417 58.100 0.131 0.000 1.147 480 Y CB -0.872 37.700 38.460 0.185 0.000 0.987 480 Y HN 0.074 nan 8.280 nan 0.000 0.509 481 L N -0.447 120.913 121.223 0.228 0.000 2.083 481 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 481 L C 1.972 178.909 176.870 0.112 0.000 1.083 481 L CA 1.456 56.379 54.840 0.139 0.000 0.752 481 L CB -0.585 41.540 42.059 0.110 0.000 0.899 481 L HN 0.114 nan 8.230 nan 0.000 0.433 482 D N 0.448 120.914 120.400 0.109 0.000 2.097 482 D HA -0.150 4.489 4.640 -0.001 0.000 0.195 482 D C 2.285 178.656 176.300 0.118 0.000 0.989 482 D CA 1.553 55.608 54.000 0.091 0.000 0.827 482 D CB -0.147 40.694 40.800 0.069 0.000 0.966 482 D HN 0.295 nan 8.370 nan 0.000 0.456 483 A N 0.676 123.588 122.820 0.154 0.000 1.883 483 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 483 A C 2.289 179.971 177.584 0.165 0.000 1.186 483 A CA 1.614 53.779 52.037 0.214 0.000 0.624 483 A CB -0.643 18.500 19.000 0.238 0.000 0.822 483 A HN 0.156 nan 8.150 nan 0.000 0.444 484 M N -0.840 118.790 119.600 0.050 0.000 2.159 484 M HA -0.165 4.314 4.480 -0.001 0.000 0.263 484 M C 2.279 178.633 176.300 0.090 0.000 1.063 484 M CA 2.056 57.353 55.300 -0.005 0.000 1.110 484 M CB -0.265 32.323 32.600 -0.020 0.000 1.374 484 M HN 0.532 nan 8.290 nan 0.000 0.411 485 K N 0.662 121.123 120.400 0.101 0.000 2.057 485 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 485 K C 1.888 178.554 176.600 0.110 0.000 1.049 485 K CA 1.576 57.919 56.287 0.094 0.000 0.931 485 K CB -0.118 32.429 32.500 0.078 0.000 0.714 485 K HN 0.278 nan 8.250 nan 0.000 0.440 486 A N 0.801 123.713 122.820 0.153 0.000 1.969 486 A HA -0.017 4.303 4.320 -0.001 0.000 0.218 486 A C 2.136 179.902 177.584 0.303 0.000 1.169 486 A CA 1.628 53.792 52.037 0.211 0.000 0.635 486 A CB -0.513 18.607 19.000 0.200 0.000 0.810 486 A HN 0.478 nan 8.150 nan 0.000 0.445 487 A N -1.103 121.831 122.820 0.189 0.000 2.251 487 A HA 0.256 4.575 4.320 -0.001 0.000 0.209 487 A C 0.397 177.901 177.584 -0.133 0.000 1.187 487 A CA 0.722 52.676 52.037 -0.139 0.000 0.823 487 A CB -0.228 18.454 19.000 -0.531 0.000 0.846 487 A HN 0.430 nan 8.150 nan 0.000 0.486 488 D N -1.944 118.470 120.400 0.023 0.000 2.751 488 D HA -0.208 4.431 4.640 -0.001 0.000 0.233 488 D C -0.298 176.014 176.300 0.020 0.000 1.149 488 D CA 0.887 54.919 54.000 0.052 0.000 0.682 488 D CB -1.756 39.141 40.800 0.161 0.000 1.068 488 D HN 0.552 nan 8.370 nan 0.000 0.429 489 F N 0.542 120.414 119.950 -0.131 0.000 2.444 489 F HA 0.315 4.841 4.527 -0.001 0.000 0.360 489 F C 0.899 176.643 175.800 -0.092 0.000 1.106 489 F CA -0.319 57.592 58.000 -0.149 0.000 1.170 489 F CB 0.415 39.284 39.000 -0.219 0.000 1.113 489 F HN -0.031 nan 8.300 nan 0.000 0.521 490 L N 7.195 128.167 121.223 -0.418 0.000 3.122 490 L HA 0.301 4.640 4.340 -0.001 0.000 0.274 490 L C -0.404 176.280 176.870 -0.310 0.000 1.222 490 L CA -0.118 54.581 54.840 -0.236 0.000 1.028 490 L CB -0.066 41.902 42.059 -0.152 0.000 1.386 490 L HN 0.507 nan 8.230 nan 0.000 0.578 491 L N 0.379 121.239 121.223 -0.605 0.000 2.421 491 L HA 0.404 4.743 4.340 -0.001 0.000 0.263 491 L C -1.926 174.882 176.870 -0.103 0.000 1.122 491 L CA -1.860 52.742 54.840 -0.396 0.000 0.804 491 L CB 0.353 42.069 42.059 -0.571 0.000 1.150 491 L HN -0.179 nan 8.230 nan 0.000 0.457 492 P HA -0.022 nan 4.420 nan 0.000 0.264 492 P C -0.996 176.339 177.300 0.059 0.000 1.183 492 P CA 0.029 63.125 63.100 -0.006 0.000 0.763 492 P CB 0.375 32.044 31.700 -0.053 0.000 0.807 493 V N 5.755 125.689 119.914 0.034 0.000 2.370 493 V HA 0.303 4.422 4.120 -0.001 0.000 0.279 493 V C 0.448 176.488 176.094 -0.090 0.000 1.029 493 V CA -0.262 62.057 62.300 0.033 0.000 0.870 493 V CB 0.838 32.706 31.823 0.075 0.000 0.984 493 V HN 0.345 nan 8.190 nan 0.000 0.451 494 I N 7.804 128.244 120.570 -0.215 0.000 2.378 494 I HA 0.370 4.540 4.170 -0.001 0.000 0.291 494 I C -1.329 174.664 176.117 -0.208 0.000 0.992 494 I CA -1.801 59.291 61.300 -0.346 0.000 1.154 494 I CB 2.347 39.890 38.000 -0.762 0.000 1.315 494 I HN 0.417 nan 8.210 nan 0.000 0.448 495 P HA -0.012 nan 4.420 nan 0.000 0.221 495 P C 0.126 177.473 177.300 0.078 0.000 1.150 495 P CA 0.864 63.980 63.100 0.028 0.000 0.800 495 P CB 0.556 32.273 31.700 0.030 0.000 0.787 496 A N -1.673 121.195 122.820 0.079 0.000 2.597 496 A HA 0.610 4.930 4.320 -0.001 0.000 0.292 496 A C 0.347 178.053 177.584 0.202 0.000 1.057 496 A CA 0.029 52.152 52.037 0.143 0.000 0.674 496 A CB 0.309 19.345 19.000 0.061 0.000 1.278 496 A HN -0.079 nan 8.150 nan 0.000 0.416 497 A N 0.248 123.147 122.820 0.130 0.000 2.147 497 A HA 0.457 4.777 4.320 -0.001 0.000 0.211 497 A C 1.425 179.009 177.584 0.001 0.000 1.160 497 A CA 1.436 53.491 52.037 0.031 0.000 0.781 497 A CB -0.632 18.261 19.000 -0.178 0.000 0.842 497 A HN 2.008 nan 8.150 nan 0.000 0.475 498 S N -0.997 114.694 115.700 -0.015 0.000 2.652 498 S HA 0.556 5.026 4.470 -0.001 0.000 0.267 498 S C 1.206 175.800 174.600 -0.010 0.000 1.201 498 S CA 0.026 58.206 58.200 -0.033 0.000 0.996 498 S CB 1.015 64.158 63.200 -0.095 0.000 1.054 498 S HN 0.830 nan 8.310 nan 0.000 0.561 499 A N -0.179 122.636 122.820 -0.009 0.000 2.209 499 A HA 0.145 4.464 4.320 -0.001 0.000 0.212 499 A C 1.043 178.625 177.584 -0.003 0.000 1.158 499 A CA 0.065 52.110 52.037 0.013 0.000 0.742 499 A CB -0.625 18.398 19.000 0.038 0.000 0.790 499 A HN 0.727 nan 8.150 nan 0.000 0.472 500 R N 1.194 121.672 120.500 -0.036 0.000 2.401 500 R HA 0.241 4.580 4.340 -0.001 0.000 0.299 500 R C -2.512 173.791 176.300 0.005 0.000 1.064 500 R CA -1.437 54.643 56.100 -0.034 0.000 1.000 500 R CB 0.190 30.431 30.300 -0.098 0.000 0.973 500 R HN 0.265 nan 8.270 nan 0.000 0.438 501 P HA 0.051 nan 4.420 nan 0.000 0.276 501 P C -0.743 176.582 177.300 0.042 0.000 1.244 501 P CA -0.499 62.617 63.100 0.027 0.000 0.801 501 P CB 1.358 33.072 31.700 0.024 0.000 1.006 502 S N 0.577 116.303 115.700 0.044 0.000 2.638 502 S HA 0.503 4.973 4.470 -0.001 0.000 0.298 502 S C -1.947 172.678 174.600 0.041 0.000 1.111 502 S CA -1.473 56.760 58.200 0.055 0.000 1.027 502 S CB 0.981 64.225 63.200 0.073 0.000 1.064 502 S HN 0.183 nan 8.310 nan 0.000 0.525 503 P HA -0.000 nan 4.420 nan 0.000 0.216 503 P C 0.994 178.310 177.300 0.025 0.000 1.150 503 P CA 1.061 64.177 63.100 0.027 0.000 0.837 503 P CB -0.022 31.691 31.700 0.021 0.000 0.786 504 I N -2.006 118.583 120.570 0.032 0.000 2.499 504 I HA -0.088 4.081 4.170 -0.001 0.000 0.243 504 I C 2.054 178.189 176.117 0.029 0.000 1.085 504 I CA 1.240 62.558 61.300 0.030 0.000 1.422 504 I CB -1.232 36.790 38.000 0.037 0.000 1.165 504 I HN -0.154 nan 8.210 nan 0.000 0.440 505 T N 0.288 114.864 114.554 0.036 0.000 2.777 505 T HA 0.155 4.504 4.350 -0.001 0.000 0.266 505 T C 1.065 175.772 174.700 0.012 0.000 1.040 505 T CA 1.219 63.334 62.100 0.025 0.000 1.141 505 T CB -0.322 68.564 68.868 0.032 0.000 0.868 505 T HN 0.686 nan 8.240 nan 0.000 0.444 506 G N 0.955 109.765 108.800 0.017 0.000 2.501 506 G HA2 0.176 4.135 3.960 -0.001 0.000 0.213 506 G HA3 0.176 4.135 3.960 -0.001 0.000 0.213 506 G C -0.132 174.773 174.900 0.008 0.000 1.158 506 G CA -0.328 44.779 45.100 0.012 0.000 1.079 506 G HN 0.791 nan 8.290 nan 0.000 0.586 507 A N 0.057 122.879 122.820 0.003 0.000 2.462 507 A HA 0.612 4.931 4.320 -0.001 0.000 0.243 507 A C 1.797 179.374 177.584 -0.012 0.000 1.076 507 A CA 1.445 53.484 52.037 0.004 0.000 0.773 507 A CB 0.405 19.411 19.000 0.010 0.000 1.010 507 A HN 2.292 nan 8.150 nan 0.000 0.493 508 S N 2.094 117.790 115.700 -0.008 0.000 2.371 508 S HA 0.249 4.719 4.470 -0.001 0.000 0.224 508 S C 1.554 176.127 174.600 -0.045 0.000 1.029 508 S CA 1.050 59.231 58.200 -0.031 0.000 0.978 508 S CB -0.642 62.555 63.200 -0.006 0.000 0.833 508 S HN 2.600 nan 8.310 nan 0.000 0.466 509 G N 1.238 110.039 108.800 0.002 0.000 2.153 509 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.252 509 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.252 509 G C -0.074 174.870 174.900 0.074 0.000 0.994 509 G CA 0.759 45.879 45.100 0.033 0.000 0.698 509 G HN 0.546 nan 8.290 nan 0.000 0.521 510 M N -1.100 118.535 119.600 0.059 0.000 2.691 510 M HA 0.634 5.113 4.480 -0.001 0.000 0.293 510 M C -0.212 176.130 176.300 0.070 0.000 1.259 510 M CA -0.934 54.425 55.300 0.100 0.000 0.827 510 M CB 2.570 35.189 32.600 0.033 0.000 1.753 510 M HN 0.288 nan 8.290 nan 0.000 0.465 511 K N 0.634 121.066 120.400 0.053 0.000 2.502 511 K HA 0.737 5.056 4.320 -0.001 0.000 0.257 511 K C -1.681 174.903 176.600 -0.028 0.000 0.938 511 K CA -0.786 55.494 56.287 -0.011 0.000 0.819 511 K CB 2.495 34.934 32.500 -0.102 0.000 1.333 511 K HN 0.755 nan 8.250 nan 0.000 0.434 512 M N 3.187 122.778 119.600 -0.015 0.000 2.126 512 M HA 0.233 4.712 4.480 -0.001 0.000 0.217 512 M C -0.640 175.715 176.300 0.091 0.000 0.873 512 M CA -0.548 54.758 55.300 0.010 0.000 0.707 512 M CB 1.071 33.680 32.600 0.014 0.000 1.515 512 M HN 0.621 nan 8.290 nan 0.000 0.369 513 N N 1.400 120.139 118.700 0.065 0.000 2.235 513 N HA 0.241 4.981 4.740 -0.001 0.000 0.209 513 N C 0.700 176.329 175.510 0.198 0.000 1.122 513 N CA 0.513 53.646 53.050 0.138 0.000 0.845 513 N CB 0.833 39.373 38.487 0.088 0.000 1.004 513 N HN 0.875 nan 8.380 nan 0.000 0.499 514 G N 1.508 110.410 108.800 0.169 0.000 2.796 514 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.226 514 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.226 514 G C -2.929 171.901 174.900 -0.116 0.000 1.381 514 G CA -0.776 44.314 45.100 -0.015 0.000 0.867 514 G HN 0.142 nan 8.290 nan 0.000 0.552 515 P HA 0.576 nan 4.420 nan 0.000 0.284 515 P C -0.663 176.323 177.300 -0.525 0.000 1.287 515 P CA -0.291 62.652 63.100 -0.261 0.000 0.824 515 P CB 0.759 32.230 31.700 -0.381 0.000 1.180 516 Y N -2.319 118.058 120.300 0.129 0.000 2.728 516 Y HA 0.356 4.905 4.550 -0.001 0.000 0.256 516 Y C 0.493 176.633 175.900 0.400 0.000 1.112 516 Y CA -0.076 58.109 58.100 0.142 0.000 1.240 516 Y CB 0.893 39.385 38.460 0.053 0.000 1.337 516 Y HN 0.229 nan 8.280 nan 0.000 0.559 517 D N -1.835 118.847 120.400 0.469 0.000 2.752 517 D HA 0.092 4.731 4.640 -0.001 0.000 0.313 517 D C -1.281 175.214 176.300 0.326 0.000 1.225 517 D CA -0.826 53.465 54.000 0.484 0.000 0.976 517 D CB 1.404 42.551 40.800 0.580 0.000 1.443 517 D HN -0.162 nan 8.370 nan 0.000 0.515 518 Y N 1.282 121.757 120.300 0.292 0.000 2.721 518 Y HA 0.248 4.798 4.550 -0.001 0.000 0.329 518 Y C -0.089 175.881 175.900 0.118 0.000 1.211 518 Y CA 0.654 58.907 58.100 0.256 0.000 1.512 518 Y CB 0.096 38.739 38.460 0.305 0.000 1.249 518 Y HN 0.099 nan 8.280 nan 0.000 0.549 519 V N 6.017 125.407 119.914 -0.873 0.000 2.888 519 V HA 0.658 4.778 4.120 -0.001 0.000 0.309 519 V C -2.873 172.661 176.094 -0.933 0.000 1.114 519 V CA -2.477 59.324 62.300 -0.832 0.000 0.940 519 V CB 1.909 32.990 31.823 -1.238 0.000 1.021 519 V HN 0.653 nan 8.190 nan 0.000 0.426 520 P HA 0.348 nan 4.420 nan 0.000 0.274 520 P C -2.393 174.846 177.300 -0.103 0.000 1.246 520 P CA -1.494 61.517 63.100 -0.150 0.000 0.795 520 P CB 0.849 32.531 31.700 -0.030 0.000 1.006 521 P HA -0.182 nan 4.420 nan 0.000 0.216 521 P C 1.745 179.172 177.300 0.212 0.000 1.154 521 P CA 1.041 64.190 63.100 0.082 0.000 0.865 521 P CB -0.218 31.265 31.700 -0.361 0.000 0.789 522 V N -1.447 118.542 119.914 0.124 0.000 2.594 522 V HA -0.273 3.846 4.120 -0.001 0.000 0.253 522 V C 2.161 178.414 176.094 0.265 0.000 1.069 522 V CA 1.557 64.020 62.300 0.272 0.000 1.082 522 V CB -1.254 30.657 31.823 0.147 0.000 0.680 522 V HN 0.066 nan 8.190 nan 0.000 0.469 523 Y N -0.140 120.112 120.300 -0.080 0.000 2.096 523 Y HA -0.349 4.200 4.550 -0.001 0.000 0.278 523 Y C 1.941 177.774 175.900 -0.112 0.000 1.192 523 Y CA 2.573 60.551 58.100 -0.204 0.000 1.143 523 Y CB -0.451 37.649 38.460 -0.601 0.000 0.963 523 Y HN 0.441 nan 8.280 nan 0.000 0.505 524 W N -1.744 119.738 121.300 0.304 0.000 2.425 524 W HA -0.175 4.484 4.660 -0.001 0.000 0.277 524 W C 1.644 178.085 176.519 -0.131 0.000 1.231 524 W CA 0.815 58.218 57.345 0.097 0.000 1.248 524 W CB -0.685 28.787 29.460 0.020 0.000 1.117 524 W HN 0.083 nan 8.180 nan 0.000 0.568 525 Y N 0.187 120.639 120.300 0.254 0.000 2.583 525 Y HA -0.041 4.508 4.550 -0.001 0.000 0.293 525 Y C 0.794 176.741 175.900 0.077 0.000 1.157 525 Y CA 0.326 58.513 58.100 0.146 0.000 1.315 525 Y CB -0.743 37.801 38.460 0.140 0.000 1.021 525 Y HN -0.224 nan 8.280 nan 0.000 0.536 526 D N 0.570 121.053 120.400 0.139 0.000 2.425 526 D HA 0.034 4.673 4.640 -0.001 0.000 0.247 526 D C 0.509 176.850 176.300 0.068 0.000 1.147 526 D CA 0.463 54.490 54.000 0.046 0.000 0.879 526 D CB 0.692 41.452 40.800 -0.068 0.000 1.179 526 D HN 0.121 nan 8.370 nan 0.000 0.456 527 K N 1.432 121.809 120.400 -0.039 0.000 2.438 527 K HA 0.034 4.353 4.320 -0.001 0.000 0.206 527 K C 1.471 177.831 176.600 -0.400 0.000 1.081 527 K CA 0.106 56.283 56.287 -0.183 0.000 1.053 527 K CB 0.563 32.977 32.500 -0.143 0.000 0.908 527 K HN 0.435 nan 8.250 nan 0.000 0.556 528 S N 0.385 115.877 115.700 -0.346 0.000 2.446 528 S HA 0.012 4.482 4.470 -0.001 0.000 0.225 528 S C 0.799 175.116 174.600 -0.471 0.000 1.016 528 S CA 0.196 58.162 58.200 -0.391 0.000 0.943 528 S CB 0.124 63.120 63.200 -0.341 0.000 0.786 528 S HN 0.039 nan 8.310 nan 0.000 0.508 529 Q N 2.118 121.586 119.800 -0.553 0.000 2.421 529 Q HA 0.260 4.599 4.340 -0.001 0.000 0.242 529 Q C 0.571 176.453 176.000 -0.197 0.000 1.024 529 Q CA -0.107 55.400 55.803 -0.493 0.000 0.891 529 Q CB 1.386 29.636 28.738 -0.813 0.000 1.222 529 Q HN 0.795 nan 8.270 nan 0.000 0.483 530 K N 0.585 120.868 120.400 -0.196 0.000 2.439 530 K HA -0.040 4.280 4.320 -0.001 0.000 0.197 530 K C -0.101 176.635 176.600 0.225 0.000 1.041 530 K CA 0.937 57.169 56.287 -0.092 0.000 0.970 530 K CB 0.449 32.822 32.500 -0.211 0.000 0.773 530 K HN 0.184 nan 8.250 nan 0.000 0.479 531 D N 0.610 121.088 120.400 0.131 0.000 2.368 531 D HA 0.100 4.739 4.640 -0.001 0.000 0.218 531 D C 0.111 176.516 176.300 0.175 0.000 1.112 531 D CA 0.015 54.110 54.000 0.157 0.000 0.834 531 D CB 0.439 41.299 40.800 0.100 0.000 0.953 531 D HN 0.075 nan 8.370 nan 0.000 0.505 532 R N -0.250 120.369 120.500 0.199 0.000 2.944 532 R HA 0.584 4.923 4.340 -0.001 0.000 0.233 532 R C 1.057 177.420 176.300 0.104 0.000 1.346 532 R CA -0.877 55.328 56.100 0.176 0.000 1.082 532 R CB -0.106 30.263 30.300 0.114 0.000 1.434 532 R HN -0.069 nan 8.270 nan 0.000 0.510 533 G N -0.346 108.528 108.800 0.123 0.000 3.820 533 G HA2 0.248 4.207 3.960 -0.001 0.000 0.293 533 G HA3 0.248 4.207 3.960 -0.001 0.000 0.293 533 G C 0.443 175.392 174.900 0.082 0.000 1.152 533 G CA -0.010 45.140 45.100 0.083 0.000 0.921 533 G HN 0.543 nan 8.290 nan 0.000 0.544 534 G N -0.327 108.408 108.800 -0.109 0.000 2.683 534 G HA2 0.435 4.394 3.960 -0.001 0.000 0.260 534 G HA3 0.435 4.394 3.960 -0.001 0.000 0.260 534 G C 0.585 175.322 174.900 -0.272 0.000 1.238 534 G CA 0.127 45.196 45.100 -0.051 0.000 0.934 534 G HN 0.597 nan 8.290 nan 0.000 0.534 535 A N 1.232 123.900 122.820 -0.254 0.000 2.981 535 A HA 0.524 4.843 4.320 -0.001 0.000 0.280 535 A C -0.233 177.240 177.584 -0.185 0.000 1.743 535 A CA -0.370 51.248 52.037 -0.698 0.000 1.430 535 A CB -1.062 17.532 19.000 -0.676 0.000 1.085 535 A HN 0.857 nan 8.150 nan 0.000 0.597 536 W N -0.448 120.736 121.300 -0.195 0.000 3.275 536 W HA 0.568 5.227 4.660 -0.001 0.000 0.306 536 W C -0.194 176.335 176.519 0.016 0.000 1.259 536 W CA -0.157 57.149 57.345 -0.066 0.000 1.194 536 W CB -0.080 29.342 29.460 -0.064 0.000 1.375 536 W HN 0.956 nan 8.180 nan 0.000 0.564 537 S N 0.403 116.264 115.700 0.268 0.000 3.443 537 S HA -0.286 4.183 4.470 -0.001 0.000 0.635 537 S C -0.932 173.744 174.600 0.127 0.000 2.555 537 S CA 0.743 59.057 58.200 0.190 0.000 2.778 537 S CB -1.163 62.106 63.200 0.116 0.000 0.331 537 S HN 0.883 nan 8.310 nan 0.000 1.765 538 F N 2.614 122.579 119.950 0.024 0.000 2.313 538 F HA 0.456 4.983 4.527 -0.001 0.000 0.369 538 F C 0.367 176.145 175.800 -0.037 0.000 1.109 538 F CA -0.726 57.301 58.000 0.044 0.000 1.132 538 F CB 0.539 39.603 39.000 0.105 0.000 1.291 538 F HN 0.483 nan 8.300 nan 0.000 0.496 539 N N 3.311 121.973 118.700 -0.064 0.000 2.549 539 N HA -0.033 4.706 4.740 -0.001 0.000 0.267 539 N C 0.928 176.410 175.510 -0.048 0.000 1.182 539 N CA 0.210 53.205 53.050 -0.092 0.000 1.019 539 N CB 0.855 39.253 38.487 -0.150 0.000 1.380 539 N HN 0.669 nan 8.380 nan 0.000 0.505 540 S N 0.871 116.646 115.700 0.124 0.000 2.561 540 S HA 0.224 4.693 4.470 -0.001 0.000 0.225 540 S C 0.586 175.115 174.600 -0.118 0.000 0.977 540 S CA -0.054 58.241 58.200 0.159 0.000 0.926 540 S CB 0.342 63.619 63.200 0.128 0.000 0.769 540 S HN 0.463 nan 8.310 nan 0.000 0.533 541 A N 0.020 122.669 122.820 -0.284 0.000 2.333 541 A HA 0.558 4.877 4.320 -0.001 0.000 0.298 541 A C -0.387 176.829 177.584 -0.613 0.000 1.239 541 A CA -0.199 51.475 52.037 -0.605 0.000 0.896 541 A CB 0.286 18.538 19.000 -1.247 0.000 1.421 541 A HN 0.235 nan 8.150 nan 0.000 0.433 542 T N 0.567 114.825 114.554 -0.493 0.000 2.982 542 T HA 0.849 5.198 4.350 -0.001 0.000 0.321 542 T C -0.544 173.839 174.700 -0.529 0.000 1.229 542 T CA 0.517 62.261 62.100 -0.593 0.000 1.044 542 T CB 1.422 70.085 68.868 -0.342 0.000 1.184 542 T HN 2.154 nan 8.240 nan 0.000 0.477 543 S N 1.837 117.287 115.700 -0.418 0.000 2.672 543 S HA 0.750 5.219 4.470 -0.001 0.000 0.271 543 S C 0.200 174.879 174.600 0.131 0.000 1.171 543 S CA -0.193 57.834 58.200 -0.287 0.000 0.817 543 S CB 1.020 63.795 63.200 -0.709 0.000 1.150 543 S HN 1.211 nan 8.310 nan 0.000 0.478 544 A N -0.103 122.891 122.820 0.291 0.000 2.415 544 A HA 0.736 5.055 4.320 -0.001 0.000 0.248 544 A C 1.433 179.243 177.584 0.378 0.000 1.299 544 A CA 0.723 52.937 52.037 0.296 0.000 0.899 544 A CB -1.450 17.714 19.000 0.272 0.000 0.997 544 A HN 2.482 nan 8.150 nan 0.000 0.506 545 G N -0.880 108.165 108.800 0.408 0.000 2.833 545 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.260 545 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.260 545 G C 0.176 175.268 174.900 0.320 0.000 1.412 545 G CA -0.229 45.167 45.100 0.493 0.000 0.986 545 G HN 0.824 nan 8.290 nan 0.000 0.556 546 V N 2.730 122.732 119.914 0.146 0.000 2.673 546 V HA 0.392 4.511 4.120 -0.001 0.000 0.303 546 V C -0.235 175.735 176.094 -0.206 0.000 1.046 546 V CA 1.141 63.331 62.300 -0.183 0.000 1.126 546 V CB 1.310 32.743 31.823 -0.650 0.000 0.934 546 V HN 0.568 nan 8.190 nan 0.000 0.487 547 D N 4.315 124.634 120.400 -0.135 0.000 2.405 547 D HA 0.243 4.882 4.640 -0.001 0.000 0.264 547 D C -0.303 175.957 176.300 -0.067 0.000 1.240 547 D CA -0.458 53.519 54.000 -0.039 0.000 0.893 547 D CB 1.026 41.877 40.800 0.085 0.000 1.198 547 D HN 0.229 nan 8.370 nan 0.000 0.514 548 I N 3.493 123.992 120.570 -0.117 0.000 2.845 548 I HA -0.009 4.160 4.170 -0.001 0.000 0.290 548 I C -1.644 174.477 176.117 0.006 0.000 1.202 548 I CA -1.157 60.123 61.300 -0.035 0.000 1.406 548 I CB -0.671 37.337 38.000 0.014 0.000 1.383 548 I HN 0.006 nan 8.210 nan 0.000 0.549 549 P HA 0.108 nan 4.420 nan 0.000 0.277 549 P C -0.008 177.312 177.300 0.033 0.000 1.276 549 P CA -0.326 62.783 63.100 0.014 0.000 0.788 549 P CB 0.144 31.843 31.700 -0.001 0.000 1.114 550 T N -2.661 111.914 114.554 0.034 0.000 2.855 550 T HA 0.004 4.353 4.350 -0.001 0.000 0.322 550 T C 1.376 176.100 174.700 0.040 0.000 1.088 550 T CA -0.222 61.901 62.100 0.038 0.000 1.104 550 T CB -0.093 68.793 68.868 0.030 0.000 0.996 550 T HN 0.240 nan 8.240 nan 0.000 0.549 551 M N 1.160 120.780 119.600 0.034 0.000 2.108 551 M HA -0.069 4.411 4.480 -0.001 0.000 0.261 551 M C 1.455 177.767 176.300 0.021 0.000 1.066 551 M CA 1.859 57.176 55.300 0.027 0.000 1.107 551 M CB -1.304 31.303 32.600 0.011 0.000 1.356 551 M HN 0.845 nan 8.290 nan 0.000 0.406 552 D N -1.308 119.101 120.400 0.014 0.000 2.123 552 D HA -0.165 4.475 4.640 -0.001 0.000 0.196 552 D C 1.748 178.055 176.300 0.012 0.000 0.992 552 D CA 2.027 56.027 54.000 0.000 0.000 0.833 552 D CB -0.305 40.489 40.800 -0.010 0.000 0.954 552 D HN 0.392 nan 8.370 nan 0.000 0.455 553 T N 0.448 115.040 114.554 0.063 0.000 2.737 553 T HA -0.058 4.292 4.350 -0.001 0.000 0.265 553 T C 2.052 176.814 174.700 0.104 0.000 1.038 553 T CA 0.476 62.666 62.100 0.151 0.000 1.144 553 T CB -0.351 68.634 68.868 0.195 0.000 0.866 553 T HN 0.093 nan 8.240 nan 0.000 0.434 554 L N 0.657 121.911 121.223 0.051 0.000 2.021 554 L HA -0.225 4.115 4.340 -0.001 0.000 0.215 554 L C 2.591 179.484 176.870 0.038 0.000 1.074 554 L CA 1.665 56.521 54.840 0.026 0.000 0.760 554 L CB -0.512 41.571 42.059 0.039 0.000 0.889 554 L HN 0.251 nan 8.230 nan 0.000 0.433 555 K N -0.519 119.908 120.400 0.046 0.000 2.283 555 K HA -0.116 4.204 4.320 -0.001 0.000 0.202 555 K C 2.107 178.757 176.600 0.083 0.000 1.048 555 K CA 0.854 57.175 56.287 0.056 0.000 0.948 555 K CB -0.024 32.491 32.500 0.025 0.000 0.742 555 K HN 0.322 nan 8.250 nan 0.000 0.458 556 R N 0.299 120.847 120.500 0.081 0.000 2.210 556 R HA 0.082 4.421 4.340 -0.001 0.000 0.203 556 R C 2.121 178.593 176.300 0.287 0.000 1.010 556 R CA 0.789 56.958 56.100 0.115 0.000 1.008 556 R CB 0.117 30.404 30.300 -0.020 0.000 0.923 556 R HN 0.278 nan 8.270 nan 0.000 0.469 557 M N -2.125 117.576 119.600 0.168 0.000 2.367 557 M HA 0.370 4.849 4.480 -0.001 0.000 0.256 557 M C 0.099 176.206 176.300 -0.322 0.000 1.091 557 M CA 0.613 55.874 55.300 -0.065 0.000 1.049 557 M CB 0.862 33.257 32.600 -0.341 0.000 1.406 557 M HN -0.155 nan 8.290 nan 0.000 0.498 558 M N 1.516 121.035 119.600 -0.135 0.000 2.484 558 M HA 0.401 4.880 4.480 -0.001 0.000 0.289 558 M C -0.336 175.943 176.300 -0.035 0.000 1.206 558 M CA -0.703 54.453 55.300 -0.240 0.000 0.892 558 M CB 2.825 35.324 32.600 -0.168 0.000 1.712 558 M HN 0.261 nan 8.290 nan 0.000 0.462 559 S N 1.190 116.821 115.700 -0.115 0.000 2.600 559 S HA 0.480 4.950 4.470 -0.001 0.000 0.265 559 S C 1.134 175.768 174.600 0.057 0.000 1.325 559 S CA -0.051 58.193 58.200 0.074 0.000 1.002 559 S CB 1.222 64.447 63.200 0.042 0.000 0.921 559 S HN 0.812 nan 8.310 nan 0.000 0.554 560 A N 1.822 124.690 122.820 0.080 0.000 1.917 560 A HA -0.110 4.210 4.320 -0.001 0.000 0.219 560 A C 2.530 180.145 177.584 0.051 0.000 1.182 560 A CA 2.364 54.441 52.037 0.066 0.000 0.633 560 A CB -1.709 17.329 19.000 0.062 0.000 0.819 560 A HN 1.411 nan 8.150 nan 0.000 0.448 561 S N -0.486 115.232 115.700 0.030 0.000 2.414 561 S HA -0.119 4.350 4.470 -0.001 0.000 0.227 561 S C 1.659 176.247 174.600 -0.020 0.000 1.022 561 S CA 1.183 59.386 58.200 0.004 0.000 0.958 561 S CB -0.421 62.777 63.200 -0.003 0.000 0.797 561 S HN 0.655 nan 8.310 nan 0.000 0.493 562 E N 1.354 121.539 120.200 -0.025 0.000 2.077 562 E HA -0.048 4.301 4.350 -0.001 0.000 0.193 562 E C 2.051 178.634 176.600 -0.029 0.000 0.989 562 E CA 1.442 57.817 56.400 -0.041 0.000 0.800 562 E CB -0.409 29.253 29.700 -0.064 0.000 0.746 562 E HN 0.510 nan 8.360 nan 0.000 0.452 563 L N 0.751 121.980 121.223 0.009 0.000 2.093 563 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 563 L C 2.194 179.139 176.870 0.126 0.000 1.085 563 L CA 1.002 55.880 54.840 0.063 0.000 0.755 563 L CB -0.243 41.868 42.059 0.087 0.000 0.904 563 L HN 0.103 nan 8.230 nan 0.000 0.435 564 D N -0.458 119.994 120.400 0.088 0.000 2.097 564 D HA -0.171 4.469 4.640 -0.001 0.000 0.195 564 D C 2.082 178.180 176.300 -0.337 0.000 0.989 564 D CA 1.572 55.583 54.000 0.019 0.000 0.827 564 D CB 0.128 40.937 40.800 0.015 0.000 0.966 564 D HN 0.099 nan 8.370 nan 0.000 0.456 565 T N 0.143 114.562 114.554 -0.225 0.000 2.759 565 T HA -0.187 4.162 4.350 -0.001 0.000 0.269 565 T C 1.901 176.431 174.700 -0.282 0.000 1.042 565 T CA 1.178 63.122 62.100 -0.259 0.000 1.140 565 T CB -0.295 68.484 68.868 -0.149 0.000 0.864 565 T HN 0.235 nan 8.240 nan 0.000 0.455 566 M N 0.676 120.153 119.600 -0.205 0.000 2.108 566 M HA -0.098 4.382 4.480 -0.001 0.000 0.261 566 M C 2.297 178.303 176.300 -0.490 0.000 1.066 566 M CA 1.789 56.957 55.300 -0.221 0.000 1.107 566 M CB -0.203 32.341 32.600 -0.093 0.000 1.356 566 M HN 0.614 nan 8.290 nan 0.000 0.406 567 W N 0.548 121.469 121.300 -0.632 0.000 2.494 567 W HA 0.010 4.669 4.660 -0.001 0.000 0.286 567 W C 1.366 177.637 176.519 -0.412 0.000 1.218 567 W CA 0.456 57.266 57.345 -0.891 0.000 1.313 567 W CB -0.883 28.221 29.460 -0.594 0.000 1.105 567 W HN 0.139 nan 8.180 nan 0.000 0.561 568 K N 0.639 120.385 120.400 -1.090 0.000 2.103 568 K HA -0.126 4.193 4.320 -0.001 0.000 0.204 568 K C 0.433 176.772 176.600 -0.435 0.000 1.052 568 K CA 1.079 56.809 56.287 -0.929 0.000 0.945 568 K CB -0.232 31.644 32.500 -1.039 0.000 0.722 568 K HN -0.092 nan 8.250 nan 0.000 0.443 569 N N 0.061 118.550 118.700 -0.351 0.000 2.727 569 N HA 0.175 4.914 4.740 -0.001 0.000 0.252 569 N C -2.571 172.857 175.510 -0.137 0.000 1.283 569 N CA -2.009 50.923 53.050 -0.197 0.000 0.782 569 N CB 1.332 39.718 38.487 -0.169 0.000 1.199 569 N HN -0.244 nan 8.380 nan 0.000 0.520 570 P HA -0.049 nan 4.420 nan 0.000 0.221 570 P C 0.840 178.156 177.300 0.027 0.000 1.145 570 P CA 0.987 64.092 63.100 0.009 0.000 0.795 570 P CB 0.410 32.189 31.700 0.131 0.000 0.775 571 S N -0.822 114.880 115.700 0.004 0.000 2.447 571 S HA 0.054 4.524 4.470 -0.001 0.000 0.233 571 S C 1.174 175.769 174.600 -0.009 0.000 1.006 571 S CA 0.436 58.640 58.200 0.007 0.000 0.957 571 S CB -0.724 62.476 63.200 -0.000 0.000 0.773 571 S HN 0.187 nan 8.310 nan 0.000 0.507 572 A N 1.951 124.752 122.820 -0.030 0.000 2.498 572 A HA 0.226 4.545 4.320 -0.001 0.000 0.239 572 A C 0.335 177.908 177.584 -0.019 0.000 1.068 572 A CA -0.120 51.897 52.037 -0.034 0.000 0.766 572 A CB 0.100 19.065 19.000 -0.058 0.000 1.003 572 A HN 0.333 nan 8.150 nan 0.000 0.497 573 K N 1.355 121.748 120.400 -0.011 0.000 2.489 573 K HA 0.090 4.409 4.320 -0.001 0.000 0.278 573 K C -0.384 176.224 176.600 0.012 0.000 1.000 573 K CA 0.430 56.719 56.287 0.003 0.000 1.012 573 K CB 0.246 32.755 32.500 0.015 0.000 0.903 573 K HN 0.600 nan 8.250 nan 0.000 0.485 574 Q N 2.705 122.513 119.800 0.013 0.000 2.327 574 Q HA 0.047 4.387 4.340 -0.001 0.000 0.270 574 Q C 0.018 176.061 176.000 0.072 0.000 1.022 574 Q CA -0.295 55.527 55.803 0.032 0.000 0.773 574 Q CB 1.232 29.963 28.738 -0.012 0.000 1.251 574 Q HN 0.636 nan 8.270 nan 0.000 0.457 575 Y N 2.928 123.228 120.300 0.000 0.000 2.256 575 Y HA -0.206 4.344 4.550 -0.001 0.000 0.288 575 Y C 1.320 177.212 175.900 -0.014 0.000 1.155 575 Y CA 1.981 60.088 58.100 0.011 0.000 1.203 575 Y CB 0.403 38.880 38.460 0.029 0.000 0.980 575 Y HN 0.670 nan 8.280 nan 0.000 0.530 576 H N -0.583 118.430 119.070 -0.095 0.000 2.536 576 H HA 0.113 4.668 4.556 -0.001 0.000 0.276 576 H C 1.625 176.800 175.328 -0.255 0.000 1.019 576 H CA 0.334 56.177 56.048 -0.342 0.000 1.159 576 H CB 0.376 29.796 29.762 -0.570 0.000 1.373 576 H HN 0.323 nan 8.280 nan 0.000 0.584 577 R N 0.378 120.771 120.500 -0.179 0.000 1.741 577 R HA 0.121 4.460 4.340 -0.001 0.000 0.135 577 R C 0.125 176.160 176.300 -0.443 0.000 2.034 577 R CA 0.215 56.047 56.100 -0.447 0.000 1.732 577 R CB 0.266 30.297 30.300 -0.449 0.000 1.201 577 R HN 0.009 nan 8.270 nan 0.000 0.485 578 S N -1.367 114.130 115.700 -0.339 0.000 2.549 578 S HA 0.257 4.726 4.470 -0.001 0.000 0.280 578 S C 0.394 174.943 174.600 -0.085 0.000 1.109 578 S CA -0.253 57.829 58.200 -0.196 0.000 0.905 578 S CB 1.698 64.818 63.200 -0.134 0.000 1.081 578 S HN 0.539 nan 8.310 nan 0.000 0.477 579 S N 2.318 117.980 115.700 -0.063 0.000 2.447 579 S HA -0.007 4.463 4.470 -0.001 0.000 0.233 579 S C 1.038 175.657 174.600 0.031 0.000 1.006 579 S CA 0.795 58.983 58.200 -0.020 0.000 0.957 579 S CB -0.416 62.764 63.200 -0.034 0.000 0.773 579 S HN 0.774 nan 8.310 nan 0.000 0.507 580 S N 1.210 116.956 115.700 0.077 0.000 2.549 580 S HA 0.121 4.590 4.470 -0.001 0.000 0.279 580 S C 0.662 175.274 174.600 0.019 0.000 1.321 580 S CA -0.553 57.704 58.200 0.095 0.000 1.054 580 S CB 0.398 63.739 63.200 0.235 0.000 0.899 580 S HN 0.270 nan 8.310 nan 0.000 0.497 581 D N 3.742 124.135 120.400 -0.012 0.000 2.144 581 D HA -0.084 4.556 4.640 -0.001 0.000 0.199 581 D C 1.842 178.058 176.300 -0.141 0.000 0.984 581 D CA 1.623 55.594 54.000 -0.048 0.000 0.834 581 D CB -0.613 40.173 40.800 -0.024 0.000 0.955 581 D HN 0.721 nan 8.370 nan 0.000 0.465 582 T N 0.166 114.557 114.554 -0.272 0.000 2.759 582 T HA -0.164 4.185 4.350 -0.001 0.000 0.269 582 T C 1.018 175.247 174.700 -0.784 0.000 1.042 582 T CA 0.889 62.599 62.100 -0.649 0.000 1.140 582 T CB -0.213 68.066 68.868 -0.981 0.000 0.864 582 T HN 0.119 nan 8.240 nan 0.000 0.455 583 F N 0.505 120.386 119.950 -0.115 0.000 2.850 583 F HA 0.517 5.044 4.527 -0.001 0.000 0.306 583 F C 1.700 177.395 175.800 -0.175 0.000 1.162 583 F CA -1.292 56.621 58.000 -0.145 0.000 1.327 583 F CB -0.171 38.741 39.000 -0.146 0.000 0.953 583 F HN 0.086 nan 8.300 nan 0.000 0.507 584 G N 0.143 108.926 108.800 -0.028 0.000 2.551 584 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.216 584 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.216 584 G C 0.512 175.391 174.900 -0.036 0.000 1.137 584 G CA 0.371 45.450 45.100 -0.035 0.000 0.798 584 G HN 0.484 nan 8.290 nan 0.000 0.536 585 N N -1.499 117.189 118.700 -0.021 0.000 3.167 585 N HA 0.496 5.235 4.740 -0.001 0.000 0.323 585 N C -0.102 175.428 175.510 0.033 0.000 1.478 585 N CA -0.929 52.120 53.050 -0.002 0.000 0.753 585 N CB 0.670 39.162 38.487 0.007 0.000 1.721 585 N HN -0.119 nan 8.380 nan 0.000 0.618 586 L N -0.927 120.340 121.223 0.075 0.000 3.110 586 L HA 0.407 4.747 4.340 -0.001 0.000 0.266 586 L C 1.716 178.724 176.870 0.230 0.000 1.257 586 L CA -0.371 54.570 54.840 0.168 0.000 1.038 586 L CB -0.064 42.124 42.059 0.215 0.000 1.395 586 L HN 0.682 nan 8.230 nan 0.000 0.566 587 K N 1.569 122.055 120.400 0.143 0.000 2.009 587 K HA -0.132 4.187 4.320 -0.001 0.000 0.210 587 K C 1.925 178.611 176.600 0.143 0.000 1.049 587 K CA 1.599 57.957 56.287 0.118 0.000 0.929 587 K CB -0.002 32.538 32.500 0.066 0.000 0.714 587 K HN 0.337 nan 8.250 nan 0.000 0.440 588 L N 0.170 121.484 121.223 0.152 0.000 2.079 588 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 588 L C 2.494 179.494 176.870 0.217 0.000 1.081 588 L CA 1.237 56.178 54.840 0.167 0.000 0.752 588 L CB -0.491 41.633 42.059 0.110 0.000 0.896 588 L HN 0.240 nan 8.230 nan 0.000 0.433 589 F N 0.811 120.840 119.950 0.131 0.000 2.113 589 F HA -0.060 4.467 4.527 -0.001 0.000 0.297 589 F C 2.288 178.109 175.800 0.034 0.000 1.103 589 F CA 1.513 59.562 58.000 0.081 0.000 1.248 589 F CB -0.611 38.494 39.000 0.175 0.000 0.999 589 F HN -0.041 nan 8.300 nan 0.000 0.475 590 G N -0.037 108.901 108.800 0.231 0.000 2.440 590 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.218 590 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.218 590 G C 1.321 176.224 174.900 0.004 0.000 1.154 590 G CA 1.148 46.356 45.100 0.181 0.000 0.767 590 G HN 0.353 nan 8.290 nan 0.000 0.552 591 D N 0.995 121.390 120.400 -0.008 0.000 2.117 591 D HA -0.024 4.615 4.640 -0.001 0.000 0.197 591 D C 2.811 179.009 176.300 -0.169 0.000 0.987 591 D CA 1.265 55.228 54.000 -0.062 0.000 0.829 591 D CB -0.451 40.345 40.800 -0.005 0.000 0.961 591 D HN 0.320 nan 8.370 nan 0.000 0.460 592 A N 0.543 123.242 122.820 -0.201 0.000 1.930 592 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 592 A C 2.163 179.565 177.584 -0.302 0.000 1.175 592 A CA 0.692 52.571 52.037 -0.265 0.000 0.627 592 A CB -0.621 17.986 19.000 -0.655 0.000 0.815 592 A HN 0.183 nan 8.150 nan 0.000 0.443 593 L N -0.254 120.720 121.223 -0.415 0.000 2.017 593 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 593 L C 2.600 179.446 176.870 -0.040 0.000 1.073 593 L CA 2.636 57.316 54.840 -0.268 0.000 0.745 593 L CB -0.852 40.904 42.059 -0.505 0.000 0.894 593 L HN 0.382 nan 8.230 nan 0.000 0.432 594 T N -0.667 113.851 114.554 -0.060 0.000 2.674 594 T HA -0.173 4.176 4.350 -0.001 0.000 0.265 594 T C 1.952 176.607 174.700 -0.075 0.000 1.039 594 T CA 1.280 63.368 62.100 -0.020 0.000 1.150 594 T CB -0.143 68.709 68.868 -0.028 0.000 0.864 594 T HN 0.173 nan 8.240 nan 0.000 0.427 595 K N 0.906 121.182 120.400 -0.208 0.000 2.063 595 K HA -0.038 4.282 4.320 -0.001 0.000 0.208 595 K C 2.448 178.962 176.600 -0.142 0.000 1.048 595 K CA 1.429 57.519 56.287 -0.329 0.000 0.928 595 K CB -0.164 31.782 32.500 -0.923 0.000 0.713 595 K HN 0.357 nan 8.250 nan 0.000 0.442 596 R N -1.065 119.398 120.500 -0.061 0.000 2.087 596 R HA 0.055 4.394 4.340 -0.001 0.000 0.213 596 R C 2.429 178.578 176.300 -0.252 0.000 1.137 596 R CA 0.514 56.575 56.100 -0.064 0.000 1.022 596 R CB -0.464 29.836 30.300 0.000 0.000 0.920 596 R HN 0.158 nan 8.270 nan 0.000 0.451 597 Y N 1.127 121.432 120.300 0.008 0.000 2.283 597 Y HA -0.125 4.424 4.550 -0.001 0.000 0.285 597 Y C 1.359 177.277 175.900 0.029 0.000 1.176 597 Y CA 1.040 59.147 58.100 0.012 0.000 1.229 597 Y CB -0.569 37.891 38.460 -0.001 0.000 0.975 597 Y HN 0.327 nan 8.280 nan 0.000 0.537 598 G N -0.567 108.304 108.800 0.118 0.000 2.712 598 G HA2 0.151 4.111 3.960 -0.001 0.000 0.686 598 G HA3 0.151 4.111 3.960 -0.001 0.000 0.686 598 G C -0.387 174.576 174.900 0.105 0.000 1.181 598 G CA -1.136 44.019 45.100 0.093 0.000 0.762 598 G HN 0.659 nan 8.290 nan 0.000 0.641 599 A N 1.291 124.161 122.820 0.084 0.000 2.561 599 A HA 0.564 4.883 4.320 -0.001 0.000 0.234 599 A C 1.145 178.815 177.584 0.144 0.000 1.055 599 A CA 1.225 53.328 52.037 0.111 0.000 0.756 599 A CB 0.152 19.206 19.000 0.090 0.000 0.986 599 A HN 1.964 nan 8.150 nan 0.000 0.505 600 S N 1.149 116.978 115.700 0.215 0.000 2.499 600 S HA 0.401 4.871 4.470 -0.001 0.000 0.275 600 S C 1.277 175.972 174.600 0.158 0.000 1.257 600 S CA 0.013 58.341 58.200 0.212 0.000 1.050 600 S CB 1.447 64.882 63.200 0.390 0.000 0.937 600 S HN 1.063 nan 8.310 nan 0.000 0.490 601 A N 3.549 126.363 122.820 -0.010 0.000 2.072 601 A HA 0.199 4.519 4.320 -0.001 0.000 0.216 601 A C 0.636 178.039 177.584 -0.302 0.000 1.156 601 A CA 0.577 52.583 52.037 -0.052 0.000 0.701 601 A CB -0.366 18.598 19.000 -0.060 0.000 0.816 601 A HN 0.900 nan 8.150 nan 0.000 0.458 602 N N -3.931 114.337 118.700 -0.720 0.000 3.261 602 N HA 0.231 4.970 4.740 -0.001 0.000 0.248 602 N C -0.119 174.479 175.510 -1.520 0.000 1.498 602 N CA -0.360 51.842 53.050 -1.415 0.000 0.884 602 N CB 0.067 38.169 38.487 -0.642 0.000 1.428 602 N HN -0.073 nan 8.380 nan 0.000 0.517 603 L N 0.353 120.638 121.223 -1.565 0.000 2.012 603 L HA -0.019 4.321 4.340 -0.001 0.000 0.210 603 L C 1.232 177.928 176.870 -0.290 0.000 1.073 603 L CA 2.118 56.467 54.840 -0.818 0.000 0.748 603 L CB -1.201 40.641 42.059 -0.361 0.000 0.891 603 L HN 0.641 nan 8.230 nan 0.000 0.431 604 N N -0.024 118.510 118.700 -0.277 0.000 2.069 604 N HA -0.223 4.516 4.740 -0.001 0.000 0.191 604 N C 1.668 177.081 175.510 -0.162 0.000 1.031 604 N CA 1.586 54.532 53.050 -0.174 0.000 0.852 604 N CB -0.648 37.730 38.487 -0.182 0.000 1.018 604 N HN 0.482 nan 8.380 nan 0.000 0.423 605 D N -0.124 120.150 120.400 -0.210 0.000 2.104 605 D HA -0.161 4.479 4.640 -0.001 0.000 0.194 605 D C 1.790 178.070 176.300 -0.033 0.000 0.994 605 D CA 0.747 54.655 54.000 -0.155 0.000 0.830 605 D CB -0.312 40.396 40.800 -0.153 0.000 0.959 605 D HN 0.225 nan 8.370 nan 0.000 0.452 606 F N 0.345 120.216 119.950 -0.132 0.000 2.102 606 F HA -0.171 4.356 4.527 -0.001 0.000 0.298 606 F C 2.188 178.010 175.800 0.037 0.000 1.105 606 F CA 1.237 59.240 58.000 0.004 0.000 1.239 606 F CB -0.421 38.642 39.000 0.105 0.000 0.991 606 F HN -0.117 nan 8.300 nan 0.000 0.474 607 V N 2.553 122.511 119.914 0.073 0.000 2.295 607 V HA -0.333 3.786 4.120 -0.001 0.000 0.246 607 V C 2.716 178.776 176.094 -0.057 0.000 1.049 607 V CA 2.353 64.656 62.300 0.006 0.000 1.024 607 V CB -1.056 30.812 31.823 0.076 0.000 0.648 607 V HN 0.454 nan 8.190 nan 0.000 0.447 608 R N 0.923 121.393 120.500 -0.049 0.000 2.096 608 R HA -0.196 4.143 4.340 -0.001 0.000 0.235 608 R C 2.142 178.473 176.300 0.052 0.000 1.127 608 R CA 1.917 58.016 56.100 -0.000 0.000 0.968 608 R CB -0.443 29.794 30.300 -0.104 0.000 0.861 608 R HN 0.430 nan 8.270 nan 0.000 0.440 609 K N 0.642 121.018 120.400 -0.040 0.000 2.062 609 K HA 0.028 4.348 4.320 -0.001 0.000 0.205 609 K C 2.342 178.663 176.600 -0.466 0.000 1.051 609 K CA 1.183 57.307 56.287 -0.272 0.000 0.941 609 K CB -0.185 32.176 32.500 -0.231 0.000 0.719 609 K HN 0.279 nan 8.250 nan 0.000 0.440 610 A N 1.735 124.351 122.820 -0.340 0.000 1.903 610 A HA -0.262 4.057 4.320 -0.001 0.000 0.219 610 A C 2.116 179.694 177.584 -0.009 0.000 1.191 610 A CA 1.622 53.587 52.037 -0.119 0.000 0.638 610 A CB -0.462 18.463 19.000 -0.125 0.000 0.823 610 A HN 0.223 nan 8.150 nan 0.000 0.451 611 Q N -0.201 119.571 119.800 -0.045 0.000 2.084 611 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 611 Q C 2.245 178.235 176.000 -0.017 0.000 0.978 611 Q CA 1.273 57.097 55.803 0.035 0.000 0.844 611 Q CB -0.664 28.121 28.738 0.078 0.000 0.898 611 Q HN 0.736 nan 8.270 nan 0.000 0.426 612 L N 0.246 121.288 121.223 -0.301 0.000 2.017 612 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 612 L C 2.607 179.653 176.870 0.293 0.000 1.073 612 L CA 1.465 56.137 54.840 -0.281 0.000 0.745 612 L CB -0.684 40.941 42.059 -0.723 0.000 0.894 612 L HN 0.224 nan 8.230 nan 0.000 0.432 613 S N -0.553 115.161 115.700 0.023 0.000 2.368 613 S HA -0.236 4.233 4.470 -0.001 0.000 0.225 613 S C 1.934 176.796 174.600 0.436 0.000 1.030 613 S CA 1.493 59.872 58.200 0.300 0.000 0.999 613 S CB -0.033 63.216 63.200 0.082 0.000 0.844 613 S HN 0.446 nan 8.310 nan 0.000 0.459 614 Q N -1.031 118.991 119.800 0.371 0.000 2.079 614 Q HA -0.082 4.257 4.340 -0.001 0.000 0.200 614 Q C 1.911 178.121 176.000 0.350 0.000 0.974 614 Q CA 1.743 57.762 55.803 0.360 0.000 0.840 614 Q CB -0.381 28.523 28.738 0.277 0.000 0.898 614 Q HN 0.774 nan 8.270 nan 0.000 0.430 615 Y N 1.744 122.215 120.300 0.285 0.000 2.097 615 Y HA -0.326 4.224 4.550 -0.001 0.000 0.282 615 Y C 2.428 178.492 175.900 0.274 0.000 1.152 615 Y CA 2.066 60.361 58.100 0.325 0.000 1.136 615 Y CB 0.046 38.801 38.460 0.491 0.000 0.975 615 Y HN 0.138 nan 8.280 nan 0.000 0.498 616 E N -0.174 120.392 120.200 0.611 0.000 2.058 616 E HA -0.290 4.060 4.350 -0.001 0.000 0.194 616 E C 2.075 178.828 176.600 0.255 0.000 0.997 616 E CA 1.427 58.019 56.400 0.319 0.000 0.801 616 E CB -0.378 29.521 29.700 0.330 0.000 0.746 616 E HN 0.518 nan 8.360 nan 0.000 0.450 617 N N 0.081 118.966 118.700 0.308 0.000 2.109 617 N HA -0.123 4.617 4.740 -0.001 0.000 0.188 617 N C 2.047 177.657 175.510 0.166 0.000 1.034 617 N CA 1.349 54.577 53.050 0.297 0.000 0.846 617 N CB 0.023 38.736 38.487 0.377 0.000 1.010 617 N HN 0.064 nan 8.380 nan 0.000 0.425 618 V N 2.023 122.003 119.914 0.110 0.000 2.343 618 V HA -0.197 3.922 4.120 -0.001 0.000 0.247 618 V C 2.683 178.763 176.094 -0.023 0.000 1.051 618 V CA 1.593 63.874 62.300 -0.032 0.000 1.036 618 V CB -0.596 31.151 31.823 -0.126 0.000 0.654 618 V HN 0.353 nan 8.190 nan 0.000 0.451 619 R N 0.419 120.904 120.500 -0.024 0.000 2.080 619 R HA -0.220 4.120 4.340 -0.001 0.000 0.236 619 R C 2.332 178.713 176.300 0.135 0.000 1.137 619 R CA 1.997 58.096 56.100 -0.002 0.000 0.943 619 R CB -0.561 29.697 30.300 -0.069 0.000 0.846 619 R HN 0.466 nan 8.270 nan 0.000 0.431 620 A N 0.900 123.850 122.820 0.216 0.000 1.908 620 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 620 A C 2.062 179.649 177.584 0.005 0.000 1.181 620 A CA 1.816 54.050 52.037 0.328 0.000 0.627 620 A CB -0.694 18.586 19.000 0.465 0.000 0.818 620 A HN 0.676 nan 8.150 nan 0.000 0.445 621 E N -1.275 118.682 120.200 -0.405 0.000 2.058 621 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 621 E C 1.692 177.934 176.600 -0.596 0.000 0.997 621 E CA 1.574 57.326 56.400 -1.079 0.000 0.801 621 E CB -0.261 28.491 29.700 -1.580 0.000 0.746 621 E HN 0.587 nan 8.360 nan 0.000 0.450 622 F N 1.216 120.961 119.950 -0.343 0.000 2.163 622 F HA -0.054 4.472 4.527 -0.001 0.000 0.297 622 F C 2.346 178.090 175.800 -0.094 0.000 1.094 622 F CA 1.360 59.211 58.000 -0.248 0.000 1.290 622 F CB -0.137 38.704 39.000 -0.266 0.000 1.017 622 F HN 0.067 nan 8.300 nan 0.000 0.483 623 E N -0.256 120.035 120.200 0.152 0.000 2.106 623 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 623 E C 2.348 179.036 176.600 0.147 0.000 0.984 623 E CA 1.461 57.988 56.400 0.212 0.000 0.806 623 E CB -0.273 29.641 29.700 0.357 0.000 0.750 623 E HN 0.399 nan 8.360 nan 0.000 0.458 624 S N 0.516 116.161 115.700 -0.093 0.000 2.368 624 S HA -0.223 4.247 4.470 -0.001 0.000 0.225 624 S C 1.745 176.251 174.600 -0.157 0.000 1.030 624 S CA 1.399 59.319 58.200 -0.467 0.000 0.999 624 S CB -0.454 62.150 63.200 -0.993 0.000 0.844 624 S HN 0.313 nan 8.310 nan 0.000 0.459 625 H N 1.019 120.003 119.070 -0.144 0.000 2.436 625 H HA 0.278 4.833 4.556 -0.001 0.000 0.294 625 H C 2.543 177.879 175.328 0.013 0.000 1.048 625 H CA 1.317 57.315 56.048 -0.083 0.000 1.353 625 H CB -0.347 29.302 29.762 -0.188 0.000 1.414 625 H HN 0.380 nan 8.280 nan 0.000 0.536 626 S N -0.053 115.738 115.700 0.152 0.000 2.368 626 S HA -0.151 4.318 4.470 -0.001 0.000 0.225 626 S C 2.115 176.833 174.600 0.195 0.000 1.030 626 S CA 1.006 59.295 58.200 0.149 0.000 0.999 626 S CB -0.026 63.254 63.200 0.134 0.000 0.844 626 S HN 0.371 nan 8.310 nan 0.000 0.459 627 R N 1.393 122.000 120.500 0.179 0.000 2.083 627 R HA -0.060 4.280 4.340 -0.001 0.000 0.237 627 R C 1.046 177.440 176.300 0.157 0.000 1.137 627 R CA 1.606 57.814 56.100 0.180 0.000 0.951 627 R CB -0.276 30.158 30.300 0.225 0.000 0.851 627 R HN 0.266 nan 8.270 nan 0.000 0.434 628 N N -0.085 118.694 118.700 0.131 0.000 2.461 628 N HA -0.114 4.625 4.740 -0.001 0.000 0.188 628 N C 0.927 176.522 175.510 0.142 0.000 1.134 628 N CA 0.313 53.426 53.050 0.106 0.000 0.878 628 N CB -0.201 38.317 38.487 0.052 0.000 0.972 628 N HN 0.329 nan 8.380 nan 0.000 0.456 629 Y N 1.805 122.136 120.300 0.052 0.000 2.274 629 Y HA -0.148 4.401 4.550 -0.001 0.000 0.290 629 Y C 1.582 177.518 175.900 0.061 0.000 1.145 629 Y CA 1.449 59.585 58.100 0.060 0.000 1.203 629 Y CB -0.406 38.093 38.460 0.065 0.000 0.984 629 Y HN 0.065 nan 8.280 nan 0.000 0.533 630 T N -2.196 112.294 114.554 -0.107 0.000 3.176 630 T HA 0.183 4.533 4.350 -0.001 0.000 0.263 630 T C -0.200 174.452 174.700 -0.081 0.000 1.021 630 T CA -0.390 61.592 62.100 -0.197 0.000 0.905 630 T CB -0.408 68.388 68.868 -0.120 0.000 1.057 630 T HN -0.006 nan 8.240 nan 0.000 0.558 631 D N 1.956 122.336 120.400 -0.032 0.000 2.455 631 D HA 0.208 4.847 4.640 -0.001 0.000 0.241 631 D C 1.069 177.351 176.300 -0.030 0.000 1.138 631 D CA -0.013 53.980 54.000 -0.013 0.000 0.877 631 D CB 1.386 42.196 40.800 0.016 0.000 1.187 631 D HN 0.063 nan 8.370 nan 0.000 0.451 632 S N 0.480 116.163 115.700 -0.027 0.000 2.383 632 S HA -0.073 4.396 4.470 -0.001 0.000 0.229 632 S C 0.833 175.420 174.600 -0.021 0.000 1.030 632 S CA 0.973 59.156 58.200 -0.028 0.000 1.002 632 S CB 0.209 63.394 63.200 -0.025 0.000 0.829 632 S HN 0.476 nan 8.310 nan 0.000 0.467 633 T N 2.295 116.837 114.554 -0.019 0.000 2.861 633 T HA 0.304 4.653 4.350 -0.001 0.000 0.287 633 T C -0.493 174.201 174.700 -0.009 0.000 1.003 633 T CA -0.719 61.368 62.100 -0.022 0.000 0.977 633 T CB 1.089 69.931 68.868 -0.043 0.000 0.996 633 T HN 0.194 nan 8.240 nan 0.000 0.448 634 N N 2.610 121.315 118.700 0.009 0.000 2.678 634 N HA -0.116 4.624 4.740 -0.001 0.000 0.268 634 N C -2.559 173.024 175.510 0.122 0.000 1.010 634 N CA 0.249 53.340 53.050 0.069 0.000 0.784 634 N CB -0.554 37.933 38.487 -0.001 0.000 0.905 634 N HN 0.436 nan 8.380 nan 0.000 0.552 635 P HA 0.017 nan 4.420 nan 0.000 0.269 635 P C 0.031 177.439 177.300 0.179 0.000 1.215 635 P CA -0.070 63.096 63.100 0.111 0.000 0.780 635 P CB 0.535 32.269 31.700 0.057 0.000 0.898 636 S N -0.147 115.654 115.700 0.167 0.000 2.528 636 S HA 0.245 4.714 4.470 -0.001 0.000 0.277 636 S C 1.088 175.840 174.600 0.252 0.000 1.297 636 S CA -0.047 58.242 58.200 0.149 0.000 1.052 636 S CB -0.123 63.100 63.200 0.039 0.000 0.917 636 S HN 0.651 nan 8.310 nan 0.000 0.492 637 T N -0.892 113.778 114.554 0.194 0.000 2.975 637 T HA 0.526 4.875 4.350 -0.001 0.000 0.257 637 T C 0.639 175.313 174.700 -0.044 0.000 1.003 637 T CA 0.162 62.417 62.100 0.259 0.000 0.932 637 T CB 0.140 69.231 68.868 0.373 0.000 1.087 637 T HN 1.134 nan 8.240 nan 0.000 0.512 638 G N 0.839 109.359 108.800 -0.466 0.000 2.667 638 G HA2 0.559 4.519 3.960 -0.001 0.000 0.294 638 G HA3 0.559 4.519 3.960 -0.001 0.000 0.294 638 G C -2.576 171.812 174.900 -0.854 0.000 1.467 638 G CA -0.797 43.607 45.100 -1.160 0.000 0.852 638 G HN 0.429 nan 8.290 nan 0.000 0.521 639 L N 1.636 122.447 121.223 -0.687 0.000 2.482 639 L HA 0.698 5.037 4.340 -0.001 0.000 0.269 639 L C -1.450 175.186 176.870 -0.391 0.000 0.967 639 L CA -0.836 53.623 54.840 -0.636 0.000 0.851 639 L CB 1.652 43.152 42.059 -0.931 0.000 1.242 639 L HN 0.411 nan 8.230 nan 0.000 0.404 640 I N 5.359 125.771 120.570 -0.263 0.000 2.354 640 I HA 0.209 4.378 4.170 -0.001 0.000 0.286 640 I C -0.489 175.581 176.117 -0.079 0.000 1.007 640 I CA -0.522 60.749 61.300 -0.049 0.000 1.167 640 I CB 1.010 39.070 38.000 0.101 0.000 1.320 640 I HN 0.656 nan 8.210 nan 0.000 0.458 641 Y N 6.359 126.567 120.300 -0.154 0.000 2.511 641 Y HA 0.028 4.578 4.550 -0.001 0.000 0.332 641 Y C -0.251 175.636 175.900 -0.021 0.000 1.177 641 Y CA 0.103 58.088 58.100 -0.191 0.000 1.422 641 Y CB 0.759 39.156 38.460 -0.104 0.000 1.271 641 Y HN 0.551 nan 8.280 nan 0.000 0.550 642 W N 10.550 131.190 121.300 -1.099 0.000 2.288 642 W HA 0.395 5.055 4.660 -0.001 0.000 0.325 642 W C -1.520 174.434 176.519 -0.942 0.000 1.019 642 W CA -0.719 56.084 57.345 -0.903 0.000 1.403 642 W CB 0.658 29.589 29.460 -0.882 0.000 1.226 642 W HN 0.616 nan 8.180 nan 0.000 0.391 643 M N 3.622 122.822 119.600 -0.667 0.000 2.755 643 M HA 0.180 4.659 4.480 -0.001 0.000 0.298 643 M C 0.908 177.085 176.300 -0.206 0.000 1.251 643 M CA -0.937 53.957 55.300 -0.677 0.000 0.817 643 M CB 1.808 33.695 32.600 -1.188 0.000 1.760 643 M HN 0.212 nan 8.290 nan 0.000 0.473 644 L N 1.905 122.989 121.223 -0.232 0.000 2.043 644 L HA -0.149 4.190 4.340 -0.001 0.000 0.212 644 L C 0.583 177.105 176.870 -0.579 0.000 1.075 644 L CA 1.975 56.677 54.840 -0.229 0.000 0.752 644 L CB -0.258 41.734 42.059 -0.112 0.000 0.891 644 L HN 0.925 nan 8.230 nan 0.000 0.432 645 N N -2.954 115.368 118.700 -0.631 0.000 3.020 645 N HA 0.210 4.950 4.740 -0.001 0.000 0.248 645 N C -1.318 173.900 175.510 -0.487 0.000 1.480 645 N CA -0.271 52.331 53.050 -0.746 0.000 0.874 645 N CB 1.260 39.138 38.487 -1.015 0.000 1.433 645 N HN -0.092 nan 8.380 nan 0.000 0.530 646 S N -1.116 114.378 115.700 -0.343 0.000 2.568 646 S HA 0.639 5.109 4.470 -0.001 0.000 0.302 646 S C -2.032 172.462 174.600 -0.176 0.000 1.082 646 S CA -1.711 56.359 58.200 -0.216 0.000 1.009 646 S CB 1.169 64.307 63.200 -0.103 0.000 1.069 646 S HN 0.441 nan 8.310 nan 0.000 0.500 647 P HA 0.094 nan 4.420 nan 0.000 0.226 647 P C -0.146 177.058 177.300 -0.161 0.000 1.153 647 P CA 0.901 63.842 63.100 -0.266 0.000 0.777 647 P CB 0.029 31.324 31.700 -0.674 0.000 0.794 648 W N -1.585 119.429 121.300 -0.476 0.000 3.121 648 W HA 0.414 5.073 4.660 -0.001 0.000 0.415 648 W C -1.213 174.810 176.519 -0.826 0.000 1.059 648 W CA -0.645 56.239 57.345 -0.768 0.000 1.185 648 W CB -0.773 28.350 29.460 -0.561 0.000 1.478 648 W HN -0.365 nan 8.180 nan 0.000 0.615 649 T N 1.290 115.066 114.554 -1.297 0.000 2.779 649 T HA 0.465 4.815 4.350 -0.001 0.000 0.296 649 T C -0.181 173.944 174.700 -0.959 0.000 0.938 649 T CA 0.072 61.569 62.100 -1.007 0.000 1.119 649 T CB 1.159 69.508 68.868 -0.866 0.000 0.891 649 T HN 0.699 nan 8.240 nan 0.000 0.526 650 S N 1.880 117.260 115.700 -0.532 0.000 2.661 650 S HA 0.611 5.080 4.470 -0.001 0.000 0.285 650 S C 0.055 174.541 174.600 -0.189 0.000 1.138 650 S CA -1.010 56.996 58.200 -0.323 0.000 0.855 650 S CB 1.207 64.362 63.200 -0.075 0.000 1.136 650 S HN 0.729 nan 8.310 nan 0.000 0.484 651 L N 2.043 123.184 121.223 -0.137 0.000 2.906 651 L HA 0.433 4.772 4.340 -0.001 0.000 0.255 651 L C 0.212 177.047 176.870 -0.058 0.000 1.166 651 L CA -0.191 54.581 54.840 -0.113 0.000 0.977 651 L CB -0.148 41.833 42.059 -0.130 0.000 1.313 651 L HN 0.803 nan 8.230 nan 0.000 0.549 652 H N -5.969 112.986 119.070 -0.192 0.000 3.017 652 H HA 0.223 4.779 4.556 -0.001 0.000 0.346 652 H C -1.201 174.102 175.328 -0.042 0.000 1.286 652 H CA -1.141 54.778 56.048 -0.214 0.000 1.120 652 H CB 0.835 30.280 29.762 -0.529 0.000 1.860 652 H HN -0.079 nan 8.280 nan 0.000 0.542 653 W N 1.654 122.805 121.300 -0.248 0.000 6.199 653 W HA -0.194 4.465 4.660 -0.001 0.000 0.416 653 W C -0.858 175.462 176.519 -0.331 0.000 1.636 653 W CA 1.214 58.287 57.345 -0.453 0.000 1.040 653 W CB -2.250 26.666 29.460 -0.906 0.000 2.854 653 W HN 0.918 nan 8.180 nan 0.000 1.467 654 Q N -2.098 117.753 119.800 0.084 0.000 2.435 654 Q HA 0.684 5.023 4.340 -0.001 0.000 0.282 654 Q C -0.342 175.686 176.000 0.046 0.000 1.020 654 Q CA -1.062 54.723 55.803 -0.030 0.000 0.820 654 Q CB 1.304 29.981 28.738 -0.101 0.000 1.436 654 Q HN 0.152 nan 8.270 nan 0.000 0.395 655 L N 0.295 121.468 121.223 -0.083 0.000 2.356 655 L HA 0.333 4.672 4.340 -0.001 0.000 0.193 655 L C 0.497 177.482 176.870 0.192 0.000 1.087 655 L CA 0.305 55.118 54.840 -0.044 0.000 0.817 655 L CB 0.279 42.239 42.059 -0.165 0.000 1.035 655 L HN 0.684 nan 8.230 nan 0.000 0.482 656 F N 0.571 120.666 119.950 0.241 0.000 2.450 656 F HA 0.538 5.064 4.527 -0.001 0.000 0.332 656 F C -0.088 175.770 175.800 0.097 0.000 1.093 656 F CA -1.983 56.166 58.000 0.248 0.000 1.003 656 F CB 0.101 39.382 39.000 0.470 0.000 1.151 656 F HN -0.007 nan 8.300 nan 0.000 0.474 657 D N 2.110 122.657 120.400 0.245 0.000 2.433 657 D HA 0.394 5.034 4.640 -0.001 0.000 0.255 657 D C 1.146 177.494 176.300 0.080 0.000 1.226 657 D CA -0.243 53.795 54.000 0.064 0.000 1.015 657 D CB 0.559 41.358 40.800 -0.000 0.000 1.091 657 D HN 0.741 nan 8.370 nan 0.000 0.527 658 A N -0.873 121.833 122.820 -0.191 0.000 2.019 658 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 658 A C 1.481 178.953 177.584 -0.187 0.000 1.164 658 A CA 1.063 52.932 52.037 -0.280 0.000 0.644 658 A CB -1.050 17.528 19.000 -0.702 0.000 0.805 658 A HN 0.598 nan 8.150 nan 0.000 0.449 659 Y N -1.582 118.784 120.300 0.110 0.000 2.466 659 Y HA 0.236 4.785 4.550 -0.001 0.000 0.272 659 Y C 1.028 176.967 175.900 0.065 0.000 1.169 659 Y CA 0.021 58.179 58.100 0.097 0.000 1.285 659 Y CB -0.105 38.398 38.460 0.073 0.000 1.078 659 Y HN 0.214 nan 8.280 nan 0.000 0.523 660 M N -0.945 118.777 119.600 0.202 0.000 2.976 660 M HA -0.237 4.243 4.480 -0.001 0.000 0.209 660 M C -0.636 175.799 176.300 0.226 0.000 0.579 660 M CA 0.510 55.886 55.300 0.126 0.000 0.783 660 M CB -1.792 30.730 32.600 -0.131 0.000 2.807 660 M HN 0.262 nan 8.290 nan 0.000 0.362 661 D N 1.527 122.037 120.400 0.182 0.000 2.354 661 D HA 0.529 5.168 4.640 -0.001 0.000 0.247 661 D C 0.025 176.293 176.300 -0.053 0.000 1.138 661 D CA 0.403 54.444 54.000 0.069 0.000 0.958 661 D CB 0.724 41.573 40.800 0.082 0.000 1.144 661 D HN 0.348 nan 8.370 nan 0.000 0.458 662 Q N 1.328 120.980 119.800 -0.248 0.000 2.309 662 Q HA 0.325 4.665 4.340 -0.001 0.000 0.270 662 Q C -0.407 175.275 176.000 -0.530 0.000 1.023 662 Q CA -0.952 54.488 55.803 -0.606 0.000 0.758 662 Q CB 1.692 29.761 28.738 -1.114 0.000 1.247 662 Q HN 0.448 nan 8.270 nan 0.000 0.455 663 N N 0.408 118.886 118.700 -0.369 0.000 3.061 663 N HA 0.337 5.076 4.740 -0.001 0.000 0.346 663 N C 0.953 176.385 175.510 -0.129 0.000 1.392 663 N CA -0.206 52.737 53.050 -0.178 0.000 0.762 663 N CB -0.298 38.182 38.487 -0.011 0.000 1.367 663 N HN 0.436 nan 8.380 nan 0.000 0.607 664 G N -0.570 108.343 108.800 0.188 0.000 2.440 664 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.218 664 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.218 664 G C 1.377 176.472 174.900 0.324 0.000 1.154 664 G CA 1.717 47.081 45.100 0.442 0.000 0.767 664 G HN 0.802 nan 8.290 nan 0.000 0.552 665 A N -0.071 122.846 122.820 0.161 0.000 1.902 665 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 665 A C 2.180 179.725 177.584 -0.065 0.000 1.181 665 A CA 1.704 53.768 52.037 0.044 0.000 0.623 665 A CB -0.725 18.298 19.000 0.039 0.000 0.818 665 A HN 0.462 nan 8.150 nan 0.000 0.443 666 Y N -0.864 119.338 120.300 -0.163 0.000 2.097 666 Y HA -0.310 4.239 4.550 -0.001 0.000 0.282 666 Y C 2.311 178.119 175.900 -0.153 0.000 1.152 666 Y CA 2.414 60.386 58.100 -0.213 0.000 1.136 666 Y CB -0.400 37.867 38.460 -0.322 0.000 0.975 666 Y HN 0.397 nan 8.280 nan 0.000 0.498 667 Y N -0.470 119.947 120.300 0.195 0.000 2.242 667 Y HA -0.052 4.497 4.550 -0.001 0.000 0.291 667 Y C 2.618 178.367 175.900 -0.252 0.000 1.137 667 Y CA 0.818 58.987 58.100 0.116 0.000 1.181 667 Y CB -1.327 37.336 38.460 0.338 0.000 0.989 667 Y HN 0.190 nan 8.280 nan 0.000 0.527 668 G N -0.420 108.157 108.800 -0.373 0.000 2.418 668 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 668 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 668 G C 1.971 176.580 174.900 -0.485 0.000 1.158 668 G CA 1.105 45.685 45.100 -0.866 0.000 0.771 668 G HN 0.459 nan 8.290 nan 0.000 0.545 669 A N 0.697 123.263 122.820 -0.424 0.000 1.902 669 A HA -0.035 4.285 4.320 -0.001 0.000 0.217 669 A C 2.212 179.441 177.584 -0.592 0.000 1.181 669 A CA 2.189 53.881 52.037 -0.575 0.000 0.623 669 A CB -0.428 18.171 19.000 -0.668 0.000 0.818 669 A HN 0.416 nan 8.150 nan 0.000 0.443 670 K N -0.336 119.790 120.400 -0.457 0.000 2.057 670 K HA -0.217 4.103 4.320 -0.001 0.000 0.207 670 K C 2.153 178.602 176.600 -0.251 0.000 1.049 670 K CA 1.798 57.888 56.287 -0.330 0.000 0.931 670 K CB -0.127 32.278 32.500 -0.159 0.000 0.714 670 K HN 0.253 nan 8.250 nan 0.000 0.440 671 K N 0.979 121.255 120.400 -0.207 0.000 2.009 671 K HA -0.097 4.223 4.320 -0.001 0.000 0.210 671 K C 1.785 178.204 176.600 -0.302 0.000 1.049 671 K CA 1.918 58.134 56.287 -0.119 0.000 0.929 671 K CB -0.761 31.702 32.500 -0.062 0.000 0.714 671 K HN 0.229 nan 8.250 nan 0.000 0.440 672 A N 0.747 123.343 122.820 -0.372 0.000 1.978 672 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 672 A C 1.516 178.711 177.584 -0.647 0.000 1.170 672 A CA 1.848 53.605 52.037 -0.467 0.000 0.636 672 A CB -0.485 18.398 19.000 -0.195 0.000 0.810 672 A HN 0.502 nan 8.150 nan 0.000 0.448 673 N N 0.588 118.966 118.700 -0.536 0.000 2.276 673 N HA 0.029 4.768 4.740 -0.001 0.000 0.212 673 N C -0.073 175.256 175.510 -0.302 0.000 1.127 673 N CA 0.107 52.901 53.050 -0.427 0.000 0.834 673 N CB 0.236 38.424 38.487 -0.498 0.000 1.014 673 N HN 0.833 nan 8.380 nan 0.000 0.491 674 E N 1.797 121.816 120.200 -0.301 0.000 2.383 674 E HA 0.102 4.452 4.350 -0.001 0.000 0.264 674 E C -1.729 174.848 176.600 -0.039 0.000 1.050 674 E CA -1.283 55.048 56.400 -0.115 0.000 0.896 674 E CB 1.095 30.789 29.700 -0.010 0.000 0.982 674 E HN -0.055 nan 8.360 nan 0.000 0.424 675 P HA -0.047 nan 4.420 nan 0.000 0.221 675 P C 0.104 177.429 177.300 0.040 0.000 1.150 675 P CA 0.675 63.774 63.100 -0.002 0.000 0.800 675 P CB 0.257 31.949 31.700 -0.013 0.000 0.787 676 L N -0.187 121.078 121.223 0.070 0.000 2.377 676 L HA 0.462 4.802 4.340 -0.001 0.000 0.270 676 L C -1.013 175.944 176.870 0.143 0.000 0.991 676 L CA -0.820 54.072 54.840 0.087 0.000 0.851 676 L CB 1.205 43.295 42.059 0.053 0.000 1.218 676 L HN -0.074 nan 8.230 nan 0.000 0.420 677 H N 3.725 122.819 119.070 0.040 0.000 2.679 677 H HA 0.654 5.210 4.556 -0.001 0.000 0.360 677 H C -1.490 173.885 175.328 0.078 0.000 1.105 677 H CA -0.498 55.583 56.048 0.056 0.000 1.196 677 H CB 1.817 31.608 29.762 0.049 0.000 1.636 677 H HN 0.566 nan 8.280 nan 0.000 0.531 678 I N 4.723 124.988 120.570 -0.508 0.000 2.530 678 I HA 0.372 4.542 4.170 -0.001 0.000 0.297 678 I C -1.337 174.523 176.117 -0.428 0.000 1.011 678 I CA -0.420 60.690 61.300 -0.317 0.000 1.107 678 I CB 1.188 39.125 38.000 -0.104 0.000 1.285 678 I HN 0.835 nan 8.210 nan 0.000 0.436 679 Q N 5.791 125.534 119.800 -0.096 0.000 2.511 679 Q HA 0.348 4.688 4.340 -0.001 0.000 0.289 679 Q C -2.032 174.028 176.000 0.099 0.000 1.021 679 Q CA -0.928 54.959 55.803 0.140 0.000 0.785 679 Q CB 2.391 31.299 28.738 0.284 0.000 1.472 679 Q HN 0.647 nan 8.270 nan 0.000 0.411 680 Y N 0.675 120.855 120.300 -0.199 0.000 2.328 680 Y HA 0.472 5.021 4.550 -0.001 0.000 0.336 680 Y C -1.150 174.457 175.900 -0.490 0.000 0.960 680 Y CA -0.534 57.246 58.100 -0.533 0.000 1.134 680 Y CB 2.193 39.937 38.460 -1.193 0.000 1.166 680 Y HN 0.733 nan 8.280 nan 0.000 0.464 681 S N 5.573 120.743 115.700 -0.883 0.000 2.455 681 S HA 0.058 4.528 4.470 -0.001 0.000 0.278 681 S C 0.533 174.435 174.600 -1.162 0.000 1.216 681 S CA -0.299 57.344 58.200 -0.929 0.000 1.055 681 S CB 0.128 62.912 63.200 -0.694 0.000 0.939 681 S HN 0.886 nan 8.310 nan 0.000 0.494 682 H N 2.049 120.611 119.070 -0.847 0.000 2.456 682 H HA -0.115 4.440 4.556 -0.001 0.000 0.296 682 H C 1.874 176.976 175.328 -0.376 0.000 1.079 682 H CA 1.839 57.657 56.048 -0.383 0.000 1.322 682 H CB 0.165 29.933 29.762 0.011 0.000 1.388 682 H HN 0.670 nan 8.280 nan 0.000 0.538 683 D N 0.249 120.363 120.400 -0.477 0.000 2.110 683 D HA -0.131 4.508 4.640 -0.001 0.000 0.202 683 D C 1.239 177.414 176.300 -0.209 0.000 0.975 683 D CA 1.403 55.273 54.000 -0.217 0.000 0.839 683 D CB -0.442 40.290 40.800 -0.113 0.000 0.996 683 D HN 0.516 nan 8.370 nan 0.000 0.464 684 N N -0.890 117.623 118.700 -0.311 0.000 2.170 684 N HA 0.098 4.837 4.740 -0.001 0.000 0.222 684 N C -0.104 175.228 175.510 -0.298 0.000 1.218 684 N CA -0.329 52.579 53.050 -0.236 0.000 0.889 684 N CB 0.127 38.510 38.487 -0.174 0.000 1.083 684 N HN 0.118 nan 8.380 nan 0.000 0.520 685 R N -0.538 119.656 120.500 -0.509 0.000 3.953 685 R HA -0.170 4.169 4.340 -0.001 0.000 0.340 685 R C -0.595 175.424 176.300 -0.469 0.000 1.195 685 R CA 0.962 56.684 56.100 -0.629 0.000 0.929 685 R CB -2.961 27.220 30.300 -0.198 0.000 1.402 685 R HN 0.574 nan 8.270 nan 0.000 0.540 686 S N -0.238 115.215 115.700 -0.412 0.000 2.549 686 S HA 0.410 4.879 4.470 -0.001 0.000 0.279 686 S C 0.533 174.984 174.600 -0.249 0.000 1.321 686 S CA -0.772 57.279 58.200 -0.249 0.000 1.054 686 S CB 1.960 65.059 63.200 -0.168 0.000 0.899 686 S HN 0.124 nan 8.310 nan 0.000 0.497 687 V N 4.245 124.098 119.914 -0.102 0.000 2.370 687 V HA 0.467 4.586 4.120 -0.001 0.000 0.279 687 V C -0.208 175.877 176.094 -0.015 0.000 1.029 687 V CA -0.550 61.732 62.300 -0.031 0.000 0.870 687 V CB 1.152 32.998 31.823 0.039 0.000 0.984 687 V HN 0.854 nan 8.190 nan 0.000 0.451 688 V N 5.714 125.629 119.914 0.000 0.000 2.656 688 V HA 0.512 4.631 4.120 -0.001 0.000 0.307 688 V C -0.311 175.806 176.094 0.038 0.000 1.051 688 V CA -0.671 61.645 62.300 0.027 0.000 0.893 688 V CB 2.367 34.220 31.823 0.050 0.000 0.999 688 V HN 0.568 nan 8.190 nan 0.000 0.426 689 V N 5.511 125.451 119.914 0.043 0.000 2.398 689 V HA 0.517 4.637 4.120 -0.001 0.000 0.286 689 V C -0.322 175.823 176.094 0.085 0.000 1.026 689 V CA -0.497 61.832 62.300 0.049 0.000 0.868 689 V CB 1.634 33.478 31.823 0.034 0.000 0.982 689 V HN 0.562 nan 8.190 nan 0.000 0.443 690 I N 4.033 124.675 120.570 0.120 0.000 2.404 690 I HA 0.414 4.584 4.170 -0.001 0.000 0.293 690 I C -0.257 175.931 176.117 0.118 0.000 0.992 690 I CA -0.545 60.839 61.300 0.140 0.000 1.149 690 I CB 1.757 39.869 38.000 0.186 0.000 1.315 690 I HN 0.601 nan 8.210 nan 0.000 0.446 691 N N 5.556 124.312 118.700 0.094 0.000 2.511 691 N HA 0.201 4.940 4.740 -0.001 0.000 0.249 691 N C 0.565 176.112 175.510 0.062 0.000 0.971 691 N CA -0.271 52.821 53.050 0.070 0.000 0.938 691 N CB 1.184 39.705 38.487 0.056 0.000 1.131 691 N HN 0.322 nan 8.380 nan 0.000 0.505 692 Q N 0.534 120.359 119.800 0.041 0.000 2.331 692 Q HA 0.007 4.347 4.340 -0.001 0.000 0.203 692 Q C 0.637 176.639 176.000 0.002 0.000 0.944 692 Q CA 0.478 56.289 55.803 0.014 0.000 0.892 692 Q CB -0.424 28.303 28.738 -0.017 0.000 0.983 692 Q HN 0.796 nan 8.270 nan 0.000 0.482 693 T N -1.222 113.332 114.554 0.001 0.000 2.726 693 T HA 0.102 4.451 4.350 -0.001 0.000 0.294 693 T C 1.363 176.050 174.700 -0.022 0.000 1.013 693 T CA 0.195 62.283 62.100 -0.020 0.000 0.996 693 T CB 0.847 69.702 68.868 -0.021 0.000 1.016 693 T HN 0.162 nan 8.240 nan 0.000 0.529 694 S N 0.043 115.710 115.700 -0.055 0.000 2.562 694 S HA 0.111 4.581 4.470 -0.001 0.000 0.221 694 S C 0.483 175.049 174.600 -0.056 0.000 0.975 694 S CA -0.521 57.636 58.200 -0.071 0.000 0.918 694 S CB -0.517 62.592 63.200 -0.152 0.000 0.772 694 S HN 0.705 nan 8.310 nan 0.000 0.531 695 N N 1.318 119.994 118.700 -0.041 0.000 2.272 695 N HA 0.572 5.311 4.740 -0.001 0.000 0.305 695 N C -0.766 174.740 175.510 -0.007 0.000 1.103 695 N CA -0.365 52.668 53.050 -0.028 0.000 0.791 695 N CB 1.914 40.379 38.487 -0.036 0.000 1.356 695 N HN 0.266 nan 8.380 nan 0.000 0.486 696 A N 1.063 123.884 122.820 0.000 0.000 2.483 696 A HA 0.359 4.678 4.320 -0.001 0.000 0.238 696 A C 0.135 177.723 177.584 0.006 0.000 1.070 696 A CA 0.007 52.050 52.037 0.009 0.000 0.770 696 A CB 0.227 19.234 19.000 0.011 0.000 1.008 696 A HN 0.406 nan 8.150 nan 0.000 0.497 697 V N 1.469 121.390 119.914 0.011 0.000 2.769 697 V HA 0.700 4.820 4.120 -0.001 0.000 0.312 697 V C 0.349 176.449 176.094 0.010 0.000 1.061 697 V CA -0.379 61.926 62.300 0.009 0.000 0.931 697 V CB 2.113 33.943 31.823 0.012 0.000 1.010 697 V HN 0.974 nan 8.190 nan 0.000 0.433 698 S N 0.753 116.457 115.700 0.007 0.000 2.627 698 S HA 0.724 5.193 4.470 -0.001 0.000 0.283 698 S C 0.504 175.107 174.600 0.005 0.000 1.127 698 S CA 0.207 58.410 58.200 0.006 0.000 0.863 698 S CB 1.707 64.909 63.200 0.004 0.000 1.121 698 S HN 1.795 nan 8.310 nan 0.000 0.479 699 G N 1.269 110.072 108.800 0.004 0.000 2.249 699 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.273 699 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.273 699 G C -0.232 174.670 174.900 0.003 0.000 1.036 699 G CA 0.240 45.341 45.100 0.002 0.000 0.824 699 G HN 0.522 nan 8.290 nan 0.000 0.504 700 L N 0.615 121.841 121.223 0.005 0.000 2.349 700 L HA 0.549 4.889 4.340 -0.001 0.000 0.275 700 L C 1.101 177.973 176.870 0.003 0.000 1.115 700 L CA 0.128 54.971 54.840 0.006 0.000 0.820 700 L CB 1.503 43.569 42.059 0.011 0.000 1.135 700 L HN 0.281 nan 8.230 nan 0.000 0.445 701 T N 2.175 116.730 114.554 0.001 0.000 2.767 701 T HA 0.675 5.024 4.350 -0.001 0.000 0.284 701 T C -0.354 174.345 174.700 -0.002 0.000 0.973 701 T CA -0.622 61.476 62.100 -0.003 0.000 0.996 701 T CB 1.173 70.036 68.868 -0.008 0.000 0.927 701 T HN 0.663 nan 8.240 nan 0.000 0.456 702 A N 4.280 127.099 122.820 -0.002 0.000 2.258 702 A HA 0.648 4.967 4.320 -0.001 0.000 0.316 702 A C 0.205 177.787 177.584 -0.004 0.000 1.279 702 A CA -0.663 51.375 52.037 0.001 0.000 0.876 702 A CB 0.625 19.630 19.000 0.008 0.000 1.170 702 A HN 0.846 nan 8.150 nan 0.000 0.520 703 T N 2.117 116.666 114.554 -0.008 0.000 2.786 703 T HA 0.555 4.905 4.350 -0.001 0.000 0.283 703 T C -0.074 174.618 174.700 -0.013 0.000 0.992 703 T CA -0.224 61.861 62.100 -0.025 0.000 0.954 703 T CB 1.207 70.051 68.868 -0.040 0.000 0.934 703 T HN 0.793 nan 8.240 nan 0.000 0.440 704 T N 3.081 117.631 114.554 -0.006 0.000 2.812 704 T HA 0.625 4.975 4.350 -0.001 0.000 0.282 704 T C -1.020 173.687 174.700 0.010 0.000 0.990 704 T CA -0.786 61.340 62.100 0.044 0.000 0.960 704 T CB 0.530 69.472 68.868 0.123 0.000 0.948 704 T HN 0.457 nan 8.240 nan 0.000 0.438 705 K N 4.204 124.605 120.400 0.002 0.000 2.443 705 K HA 0.542 4.861 4.320 -0.001 0.000 0.252 705 K C -0.906 175.656 176.600 -0.063 0.000 0.933 705 K CA -0.807 55.411 56.287 -0.115 0.000 0.792 705 K CB 2.278 34.633 32.500 -0.242 0.000 1.185 705 K HN 0.550 nan 8.250 nan 0.000 0.425 706 L N 3.282 124.452 121.223 -0.088 0.000 2.322 706 L HA 0.520 4.859 4.340 -0.001 0.000 0.279 706 L C -0.980 175.749 176.870 -0.234 0.000 1.036 706 L CA -0.932 53.907 54.840 -0.001 0.000 0.807 706 L CB 0.588 42.668 42.059 0.034 0.000 1.226 706 L HN 0.537 nan 8.230 nan 0.000 0.433 707 Y N 0.700 121.132 120.300 0.219 0.000 2.442 707 Y HA 0.331 4.880 4.550 -0.001 0.000 0.344 707 Y C 0.241 176.263 175.900 0.205 0.000 0.976 707 Y CA -1.080 57.153 58.100 0.222 0.000 1.040 707 Y CB 1.547 40.218 38.460 0.352 0.000 1.228 707 Y HN 0.505 nan 8.280 nan 0.000 0.451 708 N N 1.706 120.573 118.700 0.279 0.000 2.371 708 N HA 0.141 4.880 4.740 -0.001 0.000 0.243 708 N C 0.987 176.611 175.510 0.190 0.000 1.287 708 N CA -0.054 53.119 53.050 0.206 0.000 0.911 708 N CB 0.721 39.283 38.487 0.125 0.000 1.142 708 N HN 0.723 nan 8.380 nan 0.000 0.451 709 L N 0.229 121.522 121.223 0.116 0.000 2.456 709 L HA -0.132 4.207 4.340 -0.001 0.000 0.224 709 L C 1.100 177.991 176.870 0.036 0.000 1.148 709 L CA 0.905 55.772 54.840 0.045 0.000 0.825 709 L CB -0.454 41.612 42.059 0.012 0.000 0.937 709 L HN 0.576 nan 8.230 nan 0.000 0.450 710 D N -0.649 119.790 120.400 0.065 0.000 2.340 710 D HA 0.013 4.653 4.640 -0.001 0.000 0.220 710 D C 1.446 177.792 176.300 0.076 0.000 1.039 710 D CA 0.815 54.848 54.000 0.055 0.000 0.866 710 D CB 0.265 41.097 40.800 0.054 0.000 0.913 710 D HN 0.235 nan 8.370 nan 0.000 0.523 711 G N -0.486 108.388 108.800 0.125 0.000 2.176 711 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.232 711 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.232 711 G C 0.358 175.467 174.900 0.349 0.000 0.986 711 G CA 0.193 45.406 45.100 0.189 0.000 0.643 711 G HN 0.433 nan 8.290 nan 0.000 0.522 712 T N 1.580 116.289 114.554 0.259 0.000 2.799 712 T HA 0.390 4.739 4.350 -0.001 0.000 0.296 712 T C 0.349 175.179 174.700 0.218 0.000 0.947 712 T CA 0.321 62.546 62.100 0.207 0.000 1.141 712 T CB 1.550 70.485 68.868 0.111 0.000 0.891 712 T HN 0.434 nan 8.240 nan 0.000 0.533 713 E N 2.483 122.758 120.200 0.125 0.000 2.344 713 E HA 0.059 4.408 4.350 -0.001 0.000 0.270 713 E C 0.478 176.999 176.600 -0.132 0.000 1.021 713 E CA -0.393 55.878 56.400 -0.216 0.000 0.887 713 E CB 0.384 29.913 29.700 -0.285 0.000 0.997 713 E HN 0.393 nan 8.360 nan 0.000 0.429 714 K N 3.414 123.719 120.400 -0.157 0.000 2.412 714 K HA 0.071 4.390 4.320 -0.001 0.000 0.202 714 K C -0.735 175.865 176.600 0.001 0.000 1.102 714 K CA -0.047 56.201 56.287 -0.065 0.000 1.027 714 K CB 0.804 33.265 32.500 -0.065 0.000 0.931 714 K HN 0.526 nan 8.250 nan 0.000 0.557 715 Y N -0.295 119.880 120.300 -0.208 0.000 2.521 715 Y HA 0.392 4.941 4.550 -0.001 0.000 0.332 715 Y C -1.689 174.102 175.900 -0.182 0.000 1.121 715 Y CA -0.888 57.114 58.100 -0.164 0.000 1.037 715 Y CB 1.878 40.254 38.460 -0.141 0.000 1.330 715 Y HN -0.159 nan 8.280 nan 0.000 0.452 716 S N 4.454 119.631 115.700 -0.871 0.000 2.548 716 S HA 0.629 5.099 4.470 -0.001 0.000 0.276 716 S C -2.059 172.045 174.600 -0.827 0.000 1.129 716 S CA -0.588 57.202 58.200 -0.683 0.000 0.931 716 S CB 1.152 64.136 63.200 -0.361 0.000 1.068 716 S HN 0.779 nan 8.310 nan 0.000 0.480 717 N N 1.429 119.812 118.700 -0.529 0.000 2.336 717 N HA 0.548 5.287 4.740 -0.001 0.000 0.290 717 N C -1.790 173.636 175.510 -0.140 0.000 1.058 717 N CA -0.256 52.618 53.050 -0.294 0.000 0.865 717 N CB 2.079 40.484 38.487 -0.137 0.000 1.581 717 N HN 0.435 nan 8.380 nan 0.000 0.480 718 T N 2.241 116.733 114.554 -0.104 0.000 2.815 718 T HA 0.339 4.688 4.350 -0.001 0.000 0.289 718 T C -0.818 173.858 174.700 -0.040 0.000 1.000 718 T CA -0.435 61.626 62.100 -0.064 0.000 0.958 718 T CB 0.834 69.662 68.868 -0.066 0.000 0.944 718 T HN 0.337 nan 8.240 nan 0.000 0.442 719 K N 3.343 123.729 120.400 -0.023 0.000 2.425 719 K HA 0.516 4.836 4.320 -0.001 0.000 0.259 719 K C 0.171 176.765 176.600 -0.009 0.000 0.978 719 K CA -0.495 55.785 56.287 -0.012 0.000 0.883 719 K CB 0.448 32.948 32.500 -0.001 0.000 1.110 719 K HN 0.697 nan 8.250 nan 0.000 0.436 720 T N 0.115 114.663 114.554 -0.010 0.000 2.936 720 T HA 0.587 4.936 4.350 -0.001 0.000 0.282 720 T C 0.756 175.453 174.700 -0.004 0.000 1.003 720 T CA -0.234 61.861 62.100 -0.008 0.000 1.005 720 T CB 1.380 70.242 68.868 -0.011 0.000 1.097 720 T HN 0.930 nan 8.240 nan 0.000 0.532 721 G N 0.614 109.412 108.800 -0.003 0.000 2.273 721 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.280 721 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.280 721 G C -0.136 174.765 174.900 0.002 0.000 1.047 721 G CA 0.228 45.328 45.100 -0.001 0.000 0.869 721 G HN 0.869 nan 8.290 nan 0.000 0.502 722 L N 0.338 121.564 121.223 0.004 0.000 2.350 722 L HA 0.572 4.912 4.340 -0.001 0.000 0.275 722 L C 0.692 177.568 176.870 0.010 0.000 1.099 722 L CA -0.385 54.459 54.840 0.008 0.000 0.808 722 L CB 1.639 43.705 42.059 0.010 0.000 1.149 722 L HN 0.161 nan 8.230 nan 0.000 0.442 723 S N 1.689 117.396 115.700 0.011 0.000 2.501 723 S HA 0.668 5.138 4.470 -0.001 0.000 0.301 723 S C -0.931 173.681 174.600 0.019 0.000 1.096 723 S CA -0.544 57.664 58.200 0.013 0.000 1.063 723 S CB 2.252 65.459 63.200 0.011 0.000 1.042 723 S HN 0.377 nan 8.310 nan 0.000 0.494 724 V N 2.909 122.837 119.914 0.023 0.000 2.733 724 V HA 0.778 4.897 4.120 -0.001 0.000 0.306 724 V C 0.379 176.493 176.094 0.034 0.000 1.084 724 V CA -0.342 61.978 62.300 0.032 0.000 0.905 724 V CB 1.379 33.226 31.823 0.041 0.000 1.010 724 V HN 0.954 nan 8.190 nan 0.000 0.424 725 G N 4.158 112.981 108.800 0.038 0.000 2.716 725 G HA2 0.538 4.498 3.960 -0.001 0.000 0.251 725 G HA3 0.538 4.498 3.960 -0.001 0.000 0.251 725 G C 0.301 175.231 174.900 0.051 0.000 1.224 725 G CA 0.074 45.198 45.100 0.041 0.000 0.891 725 G HN 1.640 nan 8.290 nan 0.000 0.561 726 A N -0.914 121.936 122.820 0.049 0.000 2.304 726 A HA 0.575 4.895 4.320 -0.001 0.000 0.271 726 A C 0.930 178.565 177.584 0.085 0.000 1.091 726 A CA -0.307 51.760 52.037 0.050 0.000 0.812 726 A CB 0.047 19.066 19.000 0.032 0.000 1.056 726 A HN 1.520 nan 8.150 nan 0.000 0.489 727 L N -0.091 121.178 121.223 0.076 0.000 3.634 727 L HA -0.287 4.052 4.340 -0.001 0.000 0.423 727 L C 1.134 178.104 176.870 0.166 0.000 1.253 727 L CA 0.696 55.596 54.840 0.099 0.000 0.885 727 L CB -2.046 40.084 42.059 0.118 0.000 1.789 727 L HN 1.949 nan 8.230 nan 0.000 0.904 728 G N -2.243 106.646 108.800 0.148 0.000 2.184 728 G HA2 0.011 3.970 3.960 -0.001 0.000 0.206 728 G HA3 0.011 3.970 3.960 -0.001 0.000 0.206 728 G C 0.457 175.526 174.900 0.282 0.000 0.995 728 G CA -0.073 45.152 45.100 0.209 0.000 0.651 728 G HN 1.303 nan 8.290 nan 0.000 0.511 729 A N 0.228 123.167 122.820 0.199 0.000 2.475 729 A HA 0.601 4.921 4.320 -0.001 0.000 0.239 729 A C 0.648 178.303 177.584 0.118 0.000 1.087 729 A CA 1.358 53.476 52.037 0.135 0.000 0.779 729 A CB 0.244 19.297 19.000 0.088 0.000 1.036 729 A HN 1.499 nan 8.150 nan 0.000 0.506 730 K N -0.626 119.828 120.400 0.091 0.000 2.480 730 K HA 0.812 5.131 4.320 -0.001 0.000 0.258 730 K C -0.975 175.658 176.600 0.055 0.000 0.990 730 K CA -0.437 55.900 56.287 0.083 0.000 0.857 730 K CB 2.228 34.785 32.500 0.095 0.000 1.384 730 K HN 1.079 nan 8.250 nan 0.000 0.446 731 A N 0.986 123.835 122.820 0.048 0.000 2.449 731 A HA 0.546 4.865 4.320 -0.001 0.000 0.302 731 A C -1.077 176.523 177.584 0.027 0.000 1.048 731 A CA -0.805 51.251 52.037 0.032 0.000 0.708 731 A CB 1.890 20.907 19.000 0.027 0.000 1.274 731 A HN 0.627 nan 8.150 nan 0.000 0.410 732 T N 2.141 116.705 114.554 0.017 0.000 2.743 732 T HA 0.479 4.829 4.350 -0.001 0.000 0.293 732 T C 1.334 176.038 174.700 0.007 0.000 0.945 732 T CA 0.372 62.476 62.100 0.007 0.000 1.030 732 T CB 1.444 70.310 68.868 -0.002 0.000 0.912 732 T HN 0.945 nan 8.240 nan 0.000 0.483 733 A N 4.036 126.861 122.820 0.008 0.000 1.850 733 A HA 0.484 4.804 4.320 -0.001 0.000 0.212 733 A C 0.846 178.439 177.584 0.015 0.000 1.208 733 A CA 0.623 52.667 52.037 0.012 0.000 0.609 733 A CB 0.093 19.103 19.000 0.017 0.000 0.860 733 A HN 0.603 nan 8.150 nan 0.000 0.448 734 V N -1.669 118.256 119.914 0.018 0.000 3.204 734 V HA 0.469 4.588 4.120 -0.001 0.000 0.298 734 V C -1.315 174.779 176.094 -0.000 0.000 1.328 734 V CA -0.518 61.797 62.300 0.026 0.000 1.035 734 V CB 2.214 34.081 31.823 0.074 0.000 1.095 734 V HN 0.269 nan 8.190 nan 0.000 0.442 735 T N 3.591 118.137 114.554 -0.014 0.000 2.733 735 T HA 0.443 4.793 4.350 -0.001 0.000 0.294 735 T C -0.298 174.369 174.700 -0.056 0.000 0.956 735 T CA -0.171 61.896 62.100 -0.055 0.000 0.987 735 T CB 0.995 69.824 68.868 -0.066 0.000 0.920 735 T HN 0.576 nan 8.240 nan 0.000 0.470 736 V N 7.956 127.820 119.914 -0.084 0.000 2.529 736 V HA 0.139 4.259 4.120 -0.001 0.000 0.292 736 V C -1.393 174.555 176.094 -0.243 0.000 1.028 736 V CA -1.334 60.832 62.300 -0.223 0.000 1.074 736 V CB -0.234 31.479 31.823 -0.183 0.000 0.958 736 V HN 0.721 nan 8.190 nan 0.000 0.481 737 P HA 0.244 nan 4.420 nan 0.000 0.273 737 P C -0.478 176.694 177.300 -0.214 0.000 1.250 737 P CA -0.442 62.539 63.100 -0.199 0.000 0.793 737 P CB 0.693 32.306 31.700 -0.146 0.000 1.011 738 A N 1.055 123.794 122.820 -0.135 0.000 2.492 738 A HA 0.346 4.665 4.320 -0.001 0.000 0.254 738 A C 0.051 177.548 177.584 -0.146 0.000 1.091 738 A CA -0.117 51.846 52.037 -0.123 0.000 0.768 738 A CB -0.501 18.454 19.000 -0.074 0.000 1.028 738 A HN 0.331 nan 8.150 nan 0.000 0.498 739 V N 3.188 122.989 119.914 -0.187 0.000 2.513 739 V HA 0.481 4.600 4.120 -0.001 0.000 0.299 739 V C 0.770 176.780 176.094 -0.140 0.000 1.035 739 V CA -0.135 62.064 62.300 -0.168 0.000 0.889 739 V CB 1.782 33.471 31.823 -0.223 0.000 0.988 739 V HN 1.113 nan 8.190 nan 0.000 0.440 740 S N 3.225 118.871 115.700 -0.089 0.000 2.601 740 S HA 0.572 5.041 4.470 -0.001 0.000 0.271 740 S C 1.090 175.647 174.600 -0.072 0.000 1.305 740 S CA 0.429 58.587 58.200 -0.069 0.000 1.022 740 S CB 1.156 64.331 63.200 -0.042 0.000 0.940 740 S HN 2.335 nan 8.310 nan 0.000 0.525 741 G N 1.320 110.085 108.800 -0.058 0.000 2.148 741 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.254 741 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.254 741 G C -0.042 174.824 174.900 -0.056 0.000 0.981 741 G CA 0.309 45.383 45.100 -0.044 0.000 0.670 741 G HN 0.840 nan 8.290 nan 0.000 0.528 742 L N 1.834 122.991 121.223 -0.109 0.000 2.426 742 L HA 0.422 4.762 4.340 -0.001 0.000 0.271 742 L C 1.571 178.430 176.870 -0.018 0.000 1.169 742 L CA 0.094 54.850 54.840 -0.140 0.000 0.836 742 L CB 0.875 42.684 42.059 -0.417 0.000 1.112 742 L HN 0.446 nan 8.230 nan 0.000 0.465 743 S N 0.588 116.320 115.700 0.053 0.000 2.573 743 S HA 0.024 4.493 4.470 -0.001 0.000 0.277 743 S C 1.169 175.861 174.600 0.153 0.000 1.346 743 S CA -0.446 57.811 58.200 0.094 0.000 1.034 743 S CB 1.043 64.304 63.200 0.102 0.000 0.879 743 S HN 0.688 nan 8.310 nan 0.000 0.528 744 T N 1.947 116.568 114.554 0.112 0.000 2.624 744 T HA -0.093 4.256 4.350 -0.001 0.000 0.268 744 T C 0.795 175.578 174.700 0.139 0.000 1.041 744 T CA 1.893 64.062 62.100 0.114 0.000 1.159 744 T CB -0.611 68.297 68.868 0.067 0.000 0.863 744 T HN 0.808 nan 8.240 nan 0.000 0.434 745 T N 2.318 116.930 114.554 0.096 0.000 2.767 745 T HA 0.551 4.900 4.350 -0.001 0.000 0.288 745 T C -0.665 174.106 174.700 0.118 0.000 0.963 745 T CA -0.706 61.417 62.100 0.039 0.000 1.019 745 T CB 0.494 69.350 68.868 -0.020 0.000 0.923 745 T HN 0.448 nan 8.240 nan 0.000 0.468 746 Y N 1.038 121.350 120.300 0.021 0.000 2.698 746 Y HA 0.841 5.390 4.550 -0.001 0.000 0.332 746 Y C -1.606 174.334 175.900 0.066 0.000 1.119 746 Y CA -1.880 56.245 58.100 0.041 0.000 1.109 746 Y CB 1.136 39.622 38.460 0.043 0.000 1.308 746 Y HN 0.387 nan 8.280 nan 0.000 0.499 747 L N 2.006 123.392 121.223 0.272 0.000 2.346 747 L HA 0.878 5.217 4.340 -0.001 0.000 0.274 747 L C -0.648 176.439 176.870 0.363 0.000 1.007 747 L CA -1.387 53.606 54.840 0.255 0.000 0.818 747 L CB 2.095 44.363 42.059 0.349 0.000 1.284 747 L HN 0.913 nan 8.230 nan 0.000 0.424 748 A N 2.875 125.835 122.820 0.233 0.000 2.304 748 A HA 0.515 4.834 4.320 -0.001 0.000 0.314 748 A C -0.731 177.007 177.584 0.256 0.000 1.187 748 A CA -0.579 51.559 52.037 0.169 0.000 0.810 748 A CB 1.035 19.933 19.000 -0.171 0.000 1.183 748 A HN 0.659 nan 8.150 nan 0.000 0.487 749 K N 3.363 123.890 120.400 0.211 0.000 2.316 749 K HA 0.282 4.601 4.320 -0.001 0.000 0.267 749 K C -0.979 175.663 176.600 0.070 0.000 1.025 749 K CA -0.212 56.134 56.287 0.099 0.000 0.896 749 K CB 0.370 32.737 32.500 -0.222 0.000 1.124 749 K HN 0.873 nan 8.250 nan 0.000 0.451 750 N N 2.820 121.591 118.700 0.119 0.000 2.400 750 N HA 0.324 5.064 4.740 -0.001 0.000 0.288 750 N C -1.382 174.159 175.510 0.052 0.000 1.024 750 N CA -0.810 52.294 53.050 0.089 0.000 0.894 750 N CB 2.111 40.678 38.487 0.134 0.000 1.173 750 N HN 0.104 nan 8.380 nan 0.000 0.487 751 V N 2.672 122.597 119.914 0.018 0.000 2.638 751 V HA 0.385 4.504 4.120 -0.001 0.000 0.306 751 V C -0.723 175.374 176.094 0.005 0.000 1.052 751 V CA -0.779 61.526 62.300 0.009 0.000 0.885 751 V CB 1.895 33.711 31.823 -0.011 0.000 0.999 751 V HN 0.463 nan 8.190 nan 0.000 0.424 752 L N 5.029 126.256 121.223 0.008 0.000 2.313 752 L HA 0.881 5.220 4.340 -0.001 0.000 0.283 752 L C 0.191 177.068 176.870 0.011 0.000 1.013 752 L CA 0.359 55.203 54.840 0.007 0.000 0.816 752 L CB 2.013 44.076 42.059 0.006 0.000 1.236 752 L HN 0.906 nan 8.230 nan 0.000 0.419 753 T N 0.276 114.834 114.554 0.007 0.000 2.841 753 T HA 0.641 4.990 4.350 -0.001 0.000 0.283 753 T C -0.486 174.219 174.700 0.007 0.000 1.000 753 T CA -0.882 61.222 62.100 0.007 0.000 0.977 753 T CB 1.350 70.219 68.868 0.002 0.000 0.979 753 T HN 0.627 nan 8.240 nan 0.000 0.446 754 D N 1.290 121.695 120.400 0.008 0.000 2.414 754 D HA 0.203 4.842 4.640 -0.001 0.000 0.251 754 D C 1.585 177.887 176.300 0.003 0.000 1.252 754 D CA -0.314 53.690 54.000 0.007 0.000 0.999 754 D CB 0.264 41.069 40.800 0.007 0.000 1.093 754 D HN 0.488 nan 8.370 nan 0.000 0.515 755 S N -1.189 114.513 115.700 0.002 0.000 2.469 755 S HA -0.205 4.265 4.470 -0.001 0.000 0.238 755 S C 1.713 176.313 174.600 0.000 0.000 0.998 755 S CA 0.911 59.111 58.200 0.001 0.000 0.957 755 S CB -0.904 62.296 63.200 0.000 0.000 0.764 755 S HN 0.595 nan 8.310 nan 0.000 0.514 756 S N 0.496 116.196 115.700 0.001 0.000 2.603 756 S HA 0.398 4.867 4.470 -0.001 0.000 0.220 756 S C 1.657 176.258 174.600 0.002 0.000 0.967 756 S CA 0.646 58.846 58.200 0.001 0.000 0.920 756 S CB -0.685 62.515 63.200 0.001 0.000 0.773 756 S HN 1.429 nan 8.310 nan 0.000 0.529 757 G N 1.153 109.954 108.800 0.002 0.000 2.199 757 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.254 757 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.254 757 G C 0.033 174.937 174.900 0.005 0.000 0.982 757 G CA 0.289 45.390 45.100 0.003 0.000 0.632 757 G HN 0.712 nan 8.290 nan 0.000 0.529 758 K N 1.395 121.799 120.400 0.007 0.000 2.484 758 K HA 0.193 4.513 4.320 -0.001 0.000 0.280 758 K C 0.532 177.139 176.600 0.013 0.000 1.013 758 K CA 0.069 56.362 56.287 0.010 0.000 1.029 758 K CB 0.225 32.731 32.500 0.010 0.000 0.902 758 K HN 0.439 nan 8.250 nan 0.000 0.481 759 E N 3.764 123.974 120.200 0.016 0.000 2.217 759 E HA 0.006 4.355 4.350 -0.001 0.000 0.279 759 E C 0.609 177.224 176.600 0.026 0.000 1.068 759 E CA -0.371 56.041 56.400 0.020 0.000 0.882 759 E CB 0.648 30.362 29.700 0.024 0.000 1.039 759 E HN 0.510 nan 8.360 nan 0.000 0.418 760 V N 1.040 120.971 119.914 0.028 0.000 3.621 760 V HA 0.279 4.399 4.120 -0.001 0.000 0.263 760 V C 0.419 176.544 176.094 0.050 0.000 1.272 760 V CA 0.269 62.589 62.300 0.035 0.000 1.080 760 V CB 0.807 32.648 31.823 0.030 0.000 0.816 760 V HN 0.373 nan 8.190 nan 0.000 0.451 761 S N 0.471 116.201 115.700 0.049 0.000 2.543 761 S HA 0.657 5.127 4.470 -0.001 0.000 0.271 761 S C -0.982 173.651 174.600 0.055 0.000 1.148 761 S CA -0.740 57.500 58.200 0.067 0.000 0.914 761 S CB 2.006 65.243 63.200 0.062 0.000 1.096 761 S HN 0.687 nan 8.310 nan 0.000 0.471 762 R N 3.112 123.661 120.500 0.080 0.000 2.561 762 R HA 0.590 4.929 4.340 -0.001 0.000 0.297 762 R C -1.749 174.629 176.300 0.129 0.000 0.969 762 R CA -0.572 55.582 56.100 0.089 0.000 0.879 762 R CB 1.171 31.526 30.300 0.092 0.000 1.178 762 R HN 0.602 nan 8.270 nan 0.000 0.445 763 N N 3.267 122.055 118.700 0.146 0.000 2.500 763 N HA 0.283 5.022 4.740 -0.001 0.000 0.291 763 N C -1.868 173.781 175.510 0.232 0.000 1.092 763 N CA -0.326 52.833 53.050 0.182 0.000 0.890 763 N CB 2.264 40.871 38.487 0.200 0.000 1.466 763 N HN 0.290 nan 8.380 nan 0.000 0.507 764 V N 4.472 124.512 119.914 0.209 0.000 2.417 764 V HA 0.482 4.602 4.120 -0.001 0.000 0.291 764 V C -0.853 175.348 176.094 0.179 0.000 1.024 764 V CA -0.518 61.981 62.300 0.332 0.000 0.861 764 V CB 0.788 32.916 31.823 0.508 0.000 0.985 764 V HN 0.486 nan 8.190 nan 0.000 0.436 765 Y N 2.789 123.176 120.300 0.145 0.000 2.377 765 Y HA 0.532 5.081 4.550 -0.001 0.000 0.339 765 Y C -0.107 175.809 175.900 0.026 0.000 1.011 765 Y CA -0.802 57.240 58.100 -0.097 0.000 1.093 765 Y CB 1.546 39.837 38.460 -0.281 0.000 1.201 765 Y HN 0.782 nan 8.280 nan 0.000 0.455 766 W N 4.048 125.404 121.300 0.094 0.000 2.316 766 W HA 0.778 5.437 4.660 -0.001 0.000 0.308 766 W C -1.936 174.505 176.519 -0.130 0.000 1.106 766 W CA -0.822 56.456 57.345 -0.111 0.000 1.262 766 W CB 0.187 29.543 29.460 -0.174 0.000 1.233 766 W HN 0.196 nan 8.180 nan 0.000 0.447 767 L N 3.242 124.284 121.223 -0.303 0.000 2.309 767 L HA 0.697 5.036 4.340 -0.001 0.000 0.261 767 L C 0.008 176.582 176.870 -0.494 0.000 1.021 767 L CA -1.168 53.386 54.840 -0.476 0.000 0.823 767 L CB 2.191 43.759 42.059 -0.819 0.000 1.366 767 L HN 0.536 nan 8.230 nan 0.000 0.423 768 S N -1.482 114.082 115.700 -0.226 0.000 2.536 768 S HA 0.334 4.804 4.470 -0.001 0.000 0.298 768 S C 0.681 175.381 174.600 0.167 0.000 1.083 768 S CA -0.204 57.983 58.200 -0.021 0.000 0.995 768 S CB 1.656 64.860 63.200 0.006 0.000 1.058 768 S HN 0.764 nan 8.310 nan 0.000 0.488 769 T N 0.534 115.232 114.554 0.239 0.000 3.072 769 T HA 0.152 4.502 4.350 -0.001 0.000 0.266 769 T C 0.555 175.322 174.700 0.112 0.000 1.127 769 T CA 0.659 62.876 62.100 0.196 0.000 1.107 769 T CB -0.200 68.749 68.868 0.135 0.000 0.910 769 T HN 0.411 nan 8.240 nan 0.000 0.513 770 K N 1.536 121.991 120.400 0.092 0.000 2.240 770 K HA 0.635 4.954 4.320 -0.001 0.000 0.271 770 K C -0.533 176.107 176.600 0.066 0.000 1.018 770 K CA -0.698 55.631 56.287 0.070 0.000 0.874 770 K CB 1.180 33.720 32.500 0.066 0.000 1.098 770 K HN 0.272 nan 8.250 nan 0.000 0.458 771 A N 4.035 126.887 122.820 0.054 0.000 2.354 771 A HA 0.158 4.477 4.320 -0.001 0.000 0.269 771 A C -0.475 177.119 177.584 0.017 0.000 1.109 771 A CA -0.464 51.598 52.037 0.042 0.000 0.800 771 A CB 0.313 19.331 19.000 0.031 0.000 1.045 771 A HN 0.763 nan 8.150 nan 0.000 0.489 772 D N 1.507 121.911 120.400 0.006 0.000 2.390 772 D HA 0.373 5.012 4.640 -0.001 0.000 0.249 772 D C 0.456 176.696 176.300 -0.101 0.000 1.144 772 D CA 0.985 54.949 54.000 -0.061 0.000 0.880 772 D CB 1.172 41.947 40.800 -0.041 0.000 1.182 772 D HN 0.669 nan 8.370 nan 0.000 0.451 773 T N -0.420 114.020 114.554 -0.189 0.000 2.903 773 T HA 0.622 4.972 4.350 -0.001 0.000 0.299 773 T C -0.538 173.959 174.700 -0.338 0.000 1.093 773 T CA -0.898 61.083 62.100 -0.198 0.000 1.002 773 T CB 0.978 69.775 68.868 -0.118 0.000 1.127 773 T HN 0.132 nan 8.240 nan 0.000 0.488 774 L N 2.955 123.909 121.223 -0.448 0.000 2.307 774 L HA 0.495 4.834 4.340 -0.001 0.000 0.282 774 L C 0.653 177.167 176.870 -0.592 0.000 1.051 774 L CA -0.922 53.478 54.840 -0.734 0.000 0.804 774 L CB 1.117 42.275 42.059 -1.502 0.000 1.197 774 L HN 0.671 nan 8.230 nan 0.000 0.431 775 N N 1.956 120.385 118.700 -0.452 0.000 2.968 775 N HA 0.038 4.777 4.740 -0.001 0.000 0.271 775 N C 0.526 175.909 175.510 -0.212 0.000 1.174 775 N CA -0.037 52.860 53.050 -0.254 0.000 1.096 775 N CB 0.182 38.576 38.487 -0.156 0.000 1.403 775 N HN 0.546 nan 8.380 nan 0.000 0.522 776 W N 1.650 122.903 121.300 -0.078 0.000 2.350 776 W HA -0.056 4.603 4.660 -0.001 0.000 0.289 776 W C 2.220 178.697 176.519 -0.069 0.000 1.215 776 W CA 0.720 58.019 57.345 -0.077 0.000 1.236 776 W CB -0.045 29.376 29.460 -0.066 0.000 1.130 776 W HN 0.505 nan 8.180 nan 0.000 0.541 777 G N -0.214 108.679 108.800 0.155 0.000 2.484 777 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.218 777 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.218 777 G C 1.598 176.521 174.900 0.038 0.000 1.130 777 G CA 0.848 46.000 45.100 0.087 0.000 0.784 777 G HN 0.377 nan 8.290 nan 0.000 0.543 778 G N 0.149 108.942 108.800 -0.011 0.000 2.920 778 G HA2 0.232 4.191 3.960 -0.001 0.000 0.208 778 G HA3 0.232 4.191 3.960 -0.001 0.000 0.208 778 G C 0.698 175.523 174.900 -0.126 0.000 1.159 778 G CA 0.043 45.113 45.100 -0.051 0.000 0.784 778 G HN 0.306 nan 8.290 nan 0.000 0.535 779 S N 0.737 116.375 115.700 -0.103 0.000 2.552 779 S HA 0.174 4.644 4.470 -0.001 0.000 0.289 779 S C -0.015 174.521 174.600 -0.108 0.000 1.304 779 S CA -0.016 58.088 58.200 -0.160 0.000 1.063 779 S CB 1.228 64.446 63.200 0.031 0.000 0.848 779 S HN 0.395 nan 8.310 nan 0.000 0.499 780 D N 0.790 121.060 120.400 -0.216 0.000 2.592 780 D HA 0.289 4.929 4.640 -0.001 0.000 0.259 780 D C 1.314 177.624 176.300 0.018 0.000 1.144 780 D CA -0.905 53.066 54.000 -0.049 0.000 1.080 780 D CB 0.436 41.186 40.800 -0.084 0.000 1.225 780 D HN 0.666 nan 8.370 nan 0.000 0.619 781 W N 1.037 122.421 121.300 0.141 0.000 2.374 781 W HA -0.195 4.465 4.660 -0.001 0.000 0.288 781 W C 0.947 177.671 176.519 0.342 0.000 1.218 781 W CA 0.959 58.447 57.345 0.239 0.000 1.245 781 W CB -1.063 28.571 29.460 0.290 0.000 1.126 781 W HN 0.456 nan 8.180 nan 0.000 0.545 782 Y N -0.828 119.221 120.300 -0.419 0.000 2.458 782 Y HA 0.407 4.956 4.550 -0.001 0.000 0.256 782 Y C -0.090 175.866 175.900 0.093 0.000 1.159 782 Y CA -0.808 57.098 58.100 -0.322 0.000 1.261 782 Y CB -1.025 36.907 38.460 -0.881 0.000 1.119 782 Y HN 0.085 nan 8.280 nan 0.000 0.524 783 Y N -2.156 117.828 120.300 -0.527 0.000 2.774 783 Y HA 0.651 5.201 4.550 -0.001 0.000 0.346 783 Y C -1.807 173.912 175.900 -0.301 0.000 1.222 783 Y CA -1.434 56.436 58.100 -0.384 0.000 1.088 783 Y CB 0.954 39.236 38.460 -0.297 0.000 1.354 783 Y HN -0.190 nan 8.280 nan 0.000 0.455 784 T N 4.634 118.726 114.554 -0.771 0.000 2.841 784 T HA 0.470 4.819 4.350 -0.001 0.000 0.285 784 T C -2.966 171.258 174.700 -0.794 0.000 0.991 784 T CA -1.451 60.198 62.100 -0.753 0.000 0.966 784 T CB 1.742 70.421 68.868 -0.315 0.000 0.962 784 T HN 0.470 nan 8.240 nan 0.000 0.438 785 P HA 0.218 nan 4.420 nan 0.000 0.274 785 P C -0.758 176.364 177.300 -0.297 0.000 1.237 785 P CA -0.590 62.333 63.100 -0.295 0.000 0.793 785 P CB 0.871 32.490 31.700 -0.135 0.000 0.977 786 Q N 0.030 119.681 119.800 -0.248 0.000 2.235 786 Q HA 0.229 4.568 4.340 -0.001 0.000 0.250 786 Q C 1.006 176.787 176.000 -0.365 0.000 0.909 786 Q CA -0.326 55.187 55.803 -0.483 0.000 0.910 786 Q CB 1.077 29.222 28.738 -0.988 0.000 1.223 786 Q HN 0.477 nan 8.270 nan 0.000 0.432 787 S N 0.123 115.629 115.700 -0.324 0.000 2.517 787 S HA 0.443 4.912 4.470 -0.001 0.000 0.214 787 S C 0.342 174.874 174.600 -0.112 0.000 0.991 787 S CA 0.120 58.225 58.200 -0.158 0.000 0.906 787 S CB 0.572 63.697 63.200 -0.125 0.000 0.789 787 S HN 0.614 nan 8.310 nan 0.000 0.513 788 A N 0.265 122.929 122.820 -0.260 0.000 2.599 788 A HA 0.684 5.004 4.320 -0.001 0.000 0.294 788 A C -1.917 175.489 177.584 -0.297 0.000 1.055 788 A CA -0.797 51.181 52.037 -0.098 0.000 0.683 788 A CB 0.532 19.524 19.000 -0.013 0.000 1.278 788 A HN 0.235 nan 8.150 nan 0.000 0.412 789 F N 0.942 120.896 119.950 0.007 0.000 2.520 789 F HA 0.684 5.211 4.527 -0.001 0.000 0.322 789 F C 0.883 176.685 175.800 0.003 0.000 1.103 789 F CA -0.088 57.919 58.000 0.011 0.000 0.926 789 F CB 2.139 41.144 39.000 0.008 0.000 1.154 789 F HN 0.901 nan 8.300 nan 0.000 0.453 790 A N 1.373 124.285 122.820 0.154 0.000 2.507 790 A HA 0.229 4.548 4.320 -0.001 0.000 0.235 790 A C -0.306 177.312 177.584 0.057 0.000 1.070 790 A CA 0.065 52.152 52.037 0.083 0.000 0.768 790 A CB 0.006 19.033 19.000 0.044 0.000 1.011 790 A HN 0.684 nan 8.150 nan 0.000 0.502 791 D N 1.749 122.160 120.400 0.019 0.000 2.464 791 D HA 0.422 5.062 4.640 -0.001 0.000 0.243 791 D C 0.110 176.375 176.300 -0.059 0.000 1.104 791 D CA -0.208 53.785 54.000 -0.011 0.000 0.883 791 D CB 0.329 41.141 40.800 0.020 0.000 1.050 791 D HN 0.355 nan 8.370 nan 0.000 0.524 792 L N 2.352 123.480 121.223 -0.158 0.000 2.667 792 L HA 0.078 4.418 4.340 -0.001 0.000 0.232 792 L C 2.082 178.870 176.870 -0.137 0.000 1.138 792 L CA -0.040 54.674 54.840 -0.209 0.000 0.921 792 L CB -0.003 41.780 42.059 -0.459 0.000 1.180 792 L HN 0.281 nan 8.230 nan 0.000 0.487 793 S N -0.363 115.301 115.700 -0.061 0.000 2.500 793 S HA -0.108 4.362 4.470 -0.001 0.000 0.239 793 S C 2.064 176.692 174.600 0.046 0.000 0.989 793 S CA 0.840 59.055 58.200 0.026 0.000 0.951 793 S CB -0.571 62.648 63.200 0.032 0.000 0.759 793 S HN 0.461 nan 8.310 nan 0.000 0.523 794 G N 2.289 111.098 108.800 0.016 0.000 2.450 794 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.220 794 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.220 794 G C 1.322 176.243 174.900 0.035 0.000 1.130 794 G CA 0.893 46.008 45.100 0.025 0.000 0.760 794 G HN 0.558 nan 8.290 nan 0.000 0.557 795 L N 0.180 121.406 121.223 0.004 0.000 2.189 795 L HA -0.177 4.162 4.340 -0.001 0.000 0.214 795 L C 2.579 179.670 176.870 0.367 0.000 1.097 795 L CA 1.268 56.126 54.840 0.029 0.000 0.764 795 L CB -0.541 41.359 42.059 -0.264 0.000 0.900 795 L HN 0.266 nan 8.230 nan 0.000 0.436 796 N N -0.098 118.783 118.700 0.302 0.000 2.205 796 N HA -0.156 4.583 4.740 -0.001 0.000 0.186 796 N C 1.151 176.750 175.510 0.148 0.000 1.015 796 N CA 1.088 54.290 53.050 0.253 0.000 0.862 796 N CB 0.014 38.596 38.487 0.157 0.000 0.986 796 N HN 0.354 nan 8.380 nan 0.000 0.429 797 N N 0.208 118.980 118.700 0.121 0.000 2.187 797 N HA 0.051 4.790 4.740 -0.001 0.000 0.212 797 N C -0.454 175.098 175.510 0.069 0.000 1.152 797 N CA -0.249 52.844 53.050 0.072 0.000 0.872 797 N CB 0.352 38.868 38.487 0.049 0.000 1.025 797 N HN 0.141 nan 8.380 nan 0.000 0.514 798 L N 2.182 123.469 121.223 0.106 0.000 2.628 798 L HA 0.125 4.465 4.340 -0.001 0.000 0.274 798 L C 0.952 177.859 176.870 0.062 0.000 1.209 798 L CA 0.037 54.922 54.840 0.076 0.000 0.930 798 L CB -0.109 42.012 42.059 0.104 0.000 1.183 798 L HN 0.105 nan 8.230 nan 0.000 0.492 799 G N 4.443 113.256 108.800 0.021 0.000 2.614 799 G HA2 0.126 4.086 3.960 -0.001 0.000 0.239 799 G HA3 0.126 4.086 3.960 -0.001 0.000 0.239 799 G C -0.348 174.552 174.900 -0.000 0.000 1.240 799 G CA -0.653 44.450 45.100 0.005 0.000 0.842 799 G HN 0.708 nan 8.290 nan 0.000 0.584 800 Q N -0.222 119.570 119.800 -0.013 0.000 2.337 800 Q HA 0.236 4.576 4.340 -0.001 0.000 0.270 800 Q C 0.458 176.439 176.000 -0.031 0.000 1.002 800 Q CA 0.115 55.904 55.803 -0.023 0.000 0.888 800 Q CB 1.473 30.191 28.738 -0.034 0.000 1.222 800 Q HN 0.467 nan 8.270 nan 0.000 0.400 801 S N 0.145 115.824 115.700 -0.036 0.000 2.788 801 S HA 0.900 5.369 4.470 -0.001 0.000 0.291 801 S C -1.462 173.111 174.600 -0.045 0.000 1.061 801 S CA 0.023 58.192 58.200 -0.051 0.000 0.923 801 S CB 1.393 64.546 63.200 -0.079 0.000 1.339 801 S HN 0.695 nan 8.310 nan 0.000 0.591 802 A N -0.024 122.767 122.820 -0.048 0.000 2.589 802 A HA 0.736 5.056 4.320 -0.001 0.000 0.296 802 A C -1.546 176.013 177.584 -0.042 0.000 1.062 802 A CA -0.449 51.563 52.037 -0.041 0.000 0.686 802 A CB 1.409 20.390 19.000 -0.033 0.000 1.282 802 A HN 1.159 nan 8.150 nan 0.000 0.404 803 V N 0.788 120.678 119.914 -0.040 0.000 2.851 803 V HA 0.746 4.866 4.120 -0.001 0.000 0.307 803 V C 0.409 176.484 176.094 -0.031 0.000 1.129 803 V CA 1.067 63.344 62.300 -0.037 0.000 0.932 803 V CB 1.683 33.476 31.823 -0.051 0.000 1.024 803 V HN 2.758 nan 8.190 nan 0.000 0.426 804 G N 4.421 113.208 108.800 -0.022 0.000 2.181 804 G HA2 0.327 4.287 3.960 -0.001 0.000 0.152 804 G HA3 0.327 4.287 3.960 -0.001 0.000 0.152 804 G C -0.057 174.836 174.900 -0.012 0.000 1.026 804 G CA 0.023 45.113 45.100 -0.016 0.000 0.699 804 G HN 1.952 nan 8.290 nan 0.000 0.497 805 A N -0.197 122.617 122.820 -0.010 0.000 2.343 805 A HA 0.936 5.255 4.320 -0.001 0.000 0.316 805 A C -0.111 177.477 177.584 0.007 0.000 1.104 805 A CA -0.005 52.031 52.037 -0.003 0.000 0.768 805 A CB 2.015 21.010 19.000 -0.008 0.000 1.213 805 A HN 0.762 nan 8.150 nan 0.000 0.456 806 T N 0.952 115.516 114.554 0.016 0.000 2.916 806 T HA 0.731 5.080 4.350 -0.001 0.000 0.298 806 T C -0.605 174.116 174.700 0.034 0.000 1.031 806 T CA 0.173 62.285 62.100 0.021 0.000 0.993 806 T CB 1.529 70.406 68.868 0.016 0.000 1.045 806 T HN 1.516 nan 8.240 nan 0.000 0.454 807 A N 3.471 126.313 122.820 0.036 0.000 2.475 807 A HA 0.850 5.169 4.320 -0.001 0.000 0.301 807 A C -0.908 176.698 177.584 0.035 0.000 1.059 807 A CA -0.789 51.278 52.037 0.048 0.000 0.710 807 A CB 1.480 20.521 19.000 0.068 0.000 1.288 807 A HN 0.791 nan 8.150 nan 0.000 0.408 808 N N 0.142 118.862 118.700 0.033 0.000 2.329 808 N HA 0.633 5.372 4.740 -0.001 0.000 0.282 808 N C -1.332 174.187 175.510 0.015 0.000 1.198 808 N CA -0.323 52.739 53.050 0.020 0.000 0.790 808 N CB 1.960 40.453 38.487 0.011 0.000 1.579 808 N HN 0.536 nan 8.380 nan 0.000 0.475 809 S N 0.696 116.401 115.700 0.008 0.000 2.513 809 S HA 0.541 5.010 4.470 -0.001 0.000 0.299 809 S C -0.931 173.649 174.600 -0.034 0.000 1.087 809 S CA -0.571 57.624 58.200 -0.009 0.000 1.012 809 S CB 1.989 65.204 63.200 0.024 0.000 1.044 809 S HN 0.315 nan 8.310 nan 0.000 0.485 810 V N 2.198 122.070 119.914 -0.070 0.000 2.409 810 V HA 0.593 4.713 4.120 -0.001 0.000 0.290 810 V C 0.074 176.103 176.094 -0.109 0.000 1.017 810 V CA -0.898 61.358 62.300 -0.074 0.000 0.841 810 V CB 1.235 33.017 31.823 -0.067 0.000 1.003 810 V HN 1.030 nan 8.190 nan 0.000 0.426 811 A N 4.159 126.926 122.820 -0.088 0.000 2.438 811 A HA 0.635 4.955 4.320 -0.001 0.000 0.280 811 A C 0.902 178.433 177.584 -0.087 0.000 1.160 811 A CA 0.451 52.428 52.037 -0.099 0.000 0.821 811 A CB -0.099 18.861 19.000 -0.065 0.000 1.101 811 A HN 1.043 nan 8.150 nan 0.000 0.515 812 G N 0.567 109.304 108.800 -0.105 0.000 2.599 812 G HA2 0.465 4.425 3.960 -0.001 0.000 0.264 812 G HA3 0.465 4.425 3.960 -0.001 0.000 0.264 812 G C 0.972 175.833 174.900 -0.065 0.000 1.200 812 G CA 0.064 45.114 45.100 -0.083 0.000 0.896 812 G HN 1.248 nan 8.290 nan 0.000 0.536 813 A N -0.324 122.465 122.820 -0.051 0.000 2.169 813 A HA 0.105 4.424 4.320 -0.001 0.000 0.212 813 A C 1.607 179.168 177.584 -0.039 0.000 1.153 813 A CA 1.416 53.430 52.037 -0.039 0.000 0.756 813 A CB -0.078 18.903 19.000 -0.031 0.000 0.813 813 A HN 0.601 nan 8.150 nan 0.000 0.471 814 D N -1.583 118.789 120.400 -0.047 0.000 2.325 814 D HA 0.253 4.892 4.640 -0.001 0.000 0.234 814 D C 1.109 177.379 176.300 -0.050 0.000 1.122 814 D CA 0.597 54.571 54.000 -0.044 0.000 0.850 814 D CB -0.703 40.069 40.800 -0.046 0.000 0.921 814 D HN 0.594 nan 8.370 nan 0.000 0.513 815 G N 0.169 108.937 108.800 -0.055 0.000 2.162 815 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.260 815 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.260 815 G C 0.417 175.267 174.900 -0.083 0.000 0.976 815 G CA 0.681 45.747 45.100 -0.056 0.000 0.655 815 G HN 0.850 nan 8.290 nan 0.000 0.533 816 T N -1.852 112.632 114.554 -0.116 0.000 2.888 816 T HA 0.708 5.057 4.350 -0.001 0.000 0.284 816 T C -0.183 174.353 174.700 -0.273 0.000 1.017 816 T CA 0.194 62.180 62.100 -0.190 0.000 1.022 816 T CB 2.520 71.283 68.868 -0.175 0.000 1.013 816 T HN 0.279 nan 8.240 nan 0.000 0.465 817 T N 2.446 116.700 114.554 -0.499 0.000 2.824 817 T HA 0.552 4.901 4.350 -0.001 0.000 0.280 817 T C -0.302 173.986 174.700 -0.686 0.000 0.995 817 T CA -0.508 61.235 62.100 -0.595 0.000 1.009 817 T CB 1.337 69.779 68.868 -0.709 0.000 0.955 817 T HN 0.771 nan 8.240 nan 0.000 0.452 818 T N 3.236 117.561 114.554 -0.383 0.000 2.756 818 T HA 0.400 4.749 4.350 -0.001 0.000 0.290 818 T C 0.050 174.648 174.700 -0.169 0.000 0.985 818 T CA -0.488 61.447 62.100 -0.276 0.000 0.955 818 T CB 0.827 69.591 68.868 -0.174 0.000 0.930 818 T HN 0.475 nan 8.240 nan 0.000 0.451 819 T N 3.821 118.313 114.554 -0.103 0.000 2.744 819 T HA 0.384 4.733 4.350 -0.001 0.000 0.291 819 T C 0.280 174.954 174.700 -0.044 0.000 0.957 819 T CA -0.378 61.712 62.100 -0.016 0.000 1.002 819 T CB 0.658 69.580 68.868 0.090 0.000 0.919 819 T HN 0.452 nan 8.240 nan 0.000 0.468 820 T N 3.267 117.824 114.554 0.005 0.000 2.767 820 T HA 0.502 4.851 4.350 -0.001 0.000 0.284 820 T C -0.441 174.311 174.700 0.086 0.000 0.973 820 T CA -0.488 61.636 62.100 0.041 0.000 0.996 820 T CB 1.313 70.195 68.868 0.023 0.000 0.927 820 T HN 0.408 nan 8.240 nan 0.000 0.456 821 V N 4.171 124.174 119.914 0.148 0.000 2.495 821 V HA 0.614 4.734 4.120 -0.001 0.000 0.298 821 V C -0.448 175.701 176.094 0.092 0.000 1.031 821 V CA -0.317 62.065 62.300 0.136 0.000 0.871 821 V CB 1.973 33.917 31.823 0.201 0.000 0.988 821 V HN 0.956 nan 8.190 nan 0.000 0.432 822 T N 8.572 123.160 114.554 0.056 0.000 2.756 822 T HA 0.607 4.956 4.350 -0.001 0.000 0.290 822 T C -0.496 174.216 174.700 0.020 0.000 0.985 822 T CA -0.131 61.991 62.100 0.036 0.000 0.955 822 T CB 0.686 69.571 68.868 0.029 0.000 0.930 822 T HN 0.526 nan 8.240 nan 0.000 0.451 823 L N 3.313 124.540 121.223 0.008 0.000 2.329 823 L HA 0.671 5.011 4.340 -0.001 0.000 0.279 823 L C 0.014 176.882 176.870 -0.003 0.000 1.014 823 L CA -0.856 53.979 54.840 -0.010 0.000 0.814 823 L CB 1.729 43.766 42.059 -0.037 0.000 1.257 823 L HN 0.410 nan 8.230 nan 0.000 0.424 824 K N 1.947 122.344 120.400 -0.005 0.000 2.427 824 K HA 0.309 4.628 4.320 -0.001 0.000 0.252 824 K C -0.923 175.674 176.600 -0.006 0.000 0.931 824 K CA -0.784 55.505 56.287 0.003 0.000 0.793 824 K CB 1.640 34.144 32.500 0.007 0.000 1.211 824 K HN 0.504 nan 8.250 nan 0.000 0.426 825 N N 2.528 121.228 118.700 0.000 0.000 2.405 825 N HA -0.002 4.738 4.740 -0.001 0.000 0.260 825 N C -0.076 175.430 175.510 -0.007 0.000 1.152 825 N CA 0.193 53.235 53.050 -0.014 0.000 0.948 825 N CB 1.003 39.478 38.487 -0.020 0.000 1.111 825 N HN 0.700 nan 8.380 nan 0.000 0.485 826 T N -0.769 113.777 114.554 -0.014 0.000 3.092 826 T HA 0.102 4.452 4.350 -0.001 0.000 0.258 826 T C 0.815 175.508 174.700 -0.011 0.000 1.031 826 T CA -0.472 61.623 62.100 -0.008 0.000 0.925 826 T CB -0.414 68.448 68.868 -0.010 0.000 1.036 826 T HN 0.405 nan 8.240 nan 0.000 0.544 827 S N 0.364 116.053 115.700 -0.019 0.000 2.593 827 S HA 0.505 4.974 4.470 -0.001 0.000 0.269 827 S C 1.293 175.887 174.600 -0.010 0.000 1.334 827 S CA -0.130 58.057 58.200 -0.021 0.000 1.015 827 S CB 1.039 64.218 63.200 -0.036 0.000 0.912 827 S HN 0.383 nan 8.310 nan 0.000 0.541 828 G N 0.217 109.013 108.800 -0.007 0.000 3.233 828 G HA2 0.527 4.487 3.960 -0.001 0.000 0.234 828 G HA3 0.527 4.487 3.960 -0.001 0.000 0.234 828 G C 0.440 175.343 174.900 0.005 0.000 1.137 828 G CA -0.028 45.073 45.100 0.001 0.000 0.763 828 G HN 1.006 nan 8.290 nan 0.000 0.549 829 G N -0.338 108.462 108.800 -0.001 0.000 3.008 829 G HA2 0.431 4.390 3.960 -0.001 0.000 0.181 829 G HA3 0.431 4.390 3.960 -0.001 0.000 0.181 829 G C 0.427 175.332 174.900 0.009 0.000 1.309 829 G CA -0.718 44.385 45.100 0.005 0.000 1.009 829 G HN 0.110 nan 8.290 nan 0.000 0.584 830 R N -0.996 119.510 120.500 0.011 0.000 2.393 830 R HA 0.294 4.633 4.340 -0.001 0.000 0.244 830 R C 0.057 176.328 176.300 -0.049 0.000 0.920 830 R CA -0.151 55.966 56.100 0.029 0.000 1.076 830 R CB -0.021 30.323 30.300 0.073 0.000 1.119 830 R HN 0.187 nan 8.270 nan 0.000 0.524 831 L N 3.230 124.393 121.223 -0.100 0.000 2.292 831 L HA 0.341 4.680 4.340 -0.001 0.000 0.284 831 L C -2.048 174.609 176.870 -0.354 0.000 1.065 831 L CA -2.171 52.551 54.840 -0.197 0.000 0.806 831 L CB 0.913 42.900 42.059 -0.120 0.000 1.175 831 L HN -0.199 nan 8.230 nan 0.000 0.431 832 P HA 0.111 nan 4.420 nan 0.000 0.274 832 P C -0.929 176.125 177.300 -0.410 0.000 1.231 832 P CA -0.505 62.058 63.100 -0.895 0.000 0.790 832 P CB 1.089 31.728 31.700 -1.769 0.000 0.951 833 A N 3.522 126.174 122.820 -0.280 0.000 2.350 833 A HA 0.388 4.708 4.320 -0.001 0.000 0.293 833 A C -0.661 176.879 177.584 -0.073 0.000 1.231 833 A CA -0.330 51.633 52.037 -0.122 0.000 0.883 833 A CB -0.961 17.983 19.000 -0.094 0.000 1.133 833 A HN 0.522 nan 8.150 nan 0.000 0.533 834 F N 3.364 123.224 119.950 -0.150 0.000 2.427 834 F HA 0.486 5.012 4.527 -0.001 0.000 0.346 834 F C -0.236 175.566 175.800 0.003 0.000 1.120 834 F CA -0.981 56.944 58.000 -0.126 0.000 1.033 834 F CB 0.589 39.480 39.000 -0.181 0.000 1.126 834 F HN 0.675 nan 8.300 nan 0.000 0.462 835 Y N 4.245 124.019 120.300 -0.878 0.000 2.973 835 Y HA -0.148 4.402 4.550 -0.001 0.000 0.153 835 Y C -1.430 174.193 175.900 -0.462 0.000 1.748 835 Y CA 0.291 57.868 58.100 -0.872 0.000 0.920 835 Y CB -1.088 36.520 38.460 -1.420 0.000 1.478 835 Y HN 0.433 nan 8.280 nan 0.000 0.366 836 V N 4.307 123.934 119.914 -0.479 0.000 2.333 836 V HA 0.253 4.372 4.120 -0.001 0.000 0.274 836 V C 0.086 175.881 176.094 -0.497 0.000 1.028 836 V CA -0.456 61.627 62.300 -0.362 0.000 0.851 836 V CB 1.549 33.225 31.823 -0.245 0.000 1.000 836 V HN 0.470 nan 8.190 nan 0.000 0.456 837 D N 3.428 123.568 120.400 -0.433 0.000 2.349 837 D HA 0.389 5.028 4.640 -0.001 0.000 0.232 837 D C -0.323 175.765 176.300 -0.354 0.000 1.071 837 D CA 0.040 53.764 54.000 -0.460 0.000 0.832 837 D CB 1.602 42.234 40.800 -0.280 0.000 1.086 837 D HN 0.468 nan 8.370 nan 0.000 0.504 838 S N 3.598 118.991 115.700 -0.511 0.000 2.451 838 S HA 0.502 4.971 4.470 -0.001 0.000 0.301 838 S C -0.339 174.070 174.600 -0.317 0.000 1.116 838 S CA -0.841 57.108 58.200 -0.418 0.000 1.093 838 S CB 1.247 64.101 63.200 -0.577 0.000 1.017 838 S HN 0.270 nan 8.310 nan 0.000 0.482 839 K N 1.983 122.392 120.400 0.015 0.000 2.471 839 K HA 0.366 4.685 4.320 -0.001 0.000 0.252 839 K C -1.125 175.611 176.600 0.227 0.000 0.938 839 K CA -0.750 55.649 56.287 0.186 0.000 0.796 839 K CB 2.052 34.595 32.500 0.072 0.000 1.161 839 K HN 0.339 nan 8.250 nan 0.000 0.425 840 V N 3.539 123.615 119.914 0.270 0.000 2.485 840 V HA 0.051 4.171 4.120 -0.001 0.000 0.287 840 V C 0.498 176.546 176.094 -0.077 0.000 1.022 840 V CA -0.280 62.016 62.300 -0.006 0.000 1.067 840 V CB 0.360 31.991 31.823 -0.320 0.000 0.967 840 V HN 0.578 nan 8.190 nan 0.000 0.479 841 V N 1.852 121.726 119.914 -0.067 0.000 3.074 841 V HA 0.834 4.953 4.120 -0.001 0.000 0.314 841 V C -0.369 175.681 176.094 -0.073 0.000 1.117 841 V CA -1.007 61.254 62.300 -0.065 0.000 1.014 841 V CB 2.152 33.956 31.823 -0.031 0.000 1.057 841 V HN 0.759 nan 8.190 nan 0.000 0.438 842 D N 1.165 121.527 120.400 -0.063 0.000 2.469 842 D HA 0.277 4.917 4.640 -0.001 0.000 0.278 842 D C 1.450 177.731 176.300 -0.031 0.000 1.231 842 D CA 0.233 54.205 54.000 -0.046 0.000 1.075 842 D CB 0.402 41.176 40.800 -0.044 0.000 1.121 842 D HN 0.795 nan 8.370 nan 0.000 0.571 843 S N -1.609 114.077 115.700 -0.023 0.000 2.447 843 S HA -0.041 4.428 4.470 -0.001 0.000 0.233 843 S C 1.752 176.339 174.600 -0.021 0.000 1.006 843 S CA 0.575 58.764 58.200 -0.018 0.000 0.957 843 S CB -0.733 62.458 63.200 -0.014 0.000 0.773 843 S HN 0.650 nan 8.310 nan 0.000 0.507 844 A N 0.600 123.404 122.820 -0.027 0.000 2.251 844 A HA 0.595 4.914 4.320 -0.001 0.000 0.209 844 A C 1.686 179.251 177.584 -0.031 0.000 1.187 844 A CA 0.386 52.406 52.037 -0.029 0.000 0.823 844 A CB -1.071 17.909 19.000 -0.032 0.000 0.846 844 A HN 1.483 nan 8.150 nan 0.000 0.486 845 G N -0.330 108.451 108.800 -0.031 0.000 2.143 845 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.248 845 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.248 845 G C 0.181 175.059 174.900 -0.036 0.000 0.991 845 G CA 0.655 45.736 45.100 -0.031 0.000 0.689 845 G HN 0.804 nan 8.290 nan 0.000 0.522 846 K N 1.051 121.424 120.400 -0.044 0.000 2.201 846 K HA 0.566 4.885 4.320 -0.001 0.000 0.278 846 K C -2.289 174.276 176.600 -0.057 0.000 1.027 846 K CA -2.145 54.110 56.287 -0.053 0.000 0.909 846 K CB 1.093 33.555 32.500 -0.063 0.000 1.062 846 K HN -0.010 nan 8.250 nan 0.000 0.465 847 P HA -0.076 nan 4.420 nan 0.000 0.264 847 P C -1.039 176.216 177.300 -0.075 0.000 1.193 847 P CA -0.263 62.808 63.100 -0.048 0.000 0.763 847 P CB 0.606 32.295 31.700 -0.018 0.000 0.810 848 V N 5.683 125.521 119.914 -0.127 0.000 2.427 848 V HA 0.218 4.338 4.120 -0.001 0.000 0.268 848 V C 0.496 176.512 176.094 -0.130 0.000 1.046 848 V CA 0.270 62.463 62.300 -0.178 0.000 0.970 848 V CB -0.337 31.255 31.823 -0.385 0.000 1.001 848 V HN 0.360 nan 8.190 nan 0.000 0.476 849 L N 6.941 128.131 121.223 -0.055 0.000 2.409 849 L HA 0.603 4.943 4.340 -0.001 0.000 0.262 849 L C -2.284 174.587 176.870 0.002 0.000 0.992 849 L CA -1.829 53.013 54.840 0.004 0.000 0.817 849 L CB 2.916 44.997 42.059 0.037 0.000 1.350 849 L HN 0.412 nan 8.230 nan 0.000 0.411 850 P HA 0.183 nan 4.420 nan 0.000 0.272 850 P C -1.117 176.262 177.300 0.132 0.000 1.230 850 P CA -0.191 62.940 63.100 0.052 0.000 0.788 850 P CB 2.212 33.827 31.700 -0.142 0.000 0.949 851 V N 0.364 120.411 119.914 0.221 0.000 3.049 851 V HA 0.412 4.532 4.120 -0.001 0.000 0.309 851 V C -1.315 174.823 176.094 0.073 0.000 1.148 851 V CA -0.665 61.691 62.300 0.093 0.000 0.990 851 V CB 2.398 34.200 31.823 -0.034 0.000 1.039 851 V HN 0.587 nan 8.190 nan 0.000 0.430 852 E N 4.301 124.485 120.200 -0.027 0.000 2.244 852 E HA 0.339 4.688 4.350 -0.001 0.000 0.260 852 E C -1.912 174.627 176.600 -0.103 0.000 0.884 852 E CA -0.284 56.105 56.400 -0.018 0.000 0.777 852 E CB 1.911 31.630 29.700 0.032 0.000 1.197 852 E HN 0.641 nan 8.360 nan 0.000 0.416 853 W N 2.915 124.233 121.300 0.029 0.000 2.449 853 W HA 0.164 4.823 4.660 -0.001 0.000 0.331 853 W C 1.697 178.232 176.519 0.025 0.000 1.119 853 W CA -0.508 56.857 57.345 0.032 0.000 1.240 853 W CB 0.763 30.243 29.460 0.033 0.000 1.251 853 W HN 0.526 nan 8.180 nan 0.000 0.576 854 N N 0.795 119.655 118.700 0.266 0.000 2.216 854 N HA -0.084 4.656 4.740 -0.001 0.000 0.183 854 N C -0.047 175.553 175.510 0.149 0.000 1.017 854 N CA 1.757 54.902 53.050 0.158 0.000 0.861 854 N CB -0.496 38.057 38.487 0.110 0.000 0.986 854 N HN 0.522 nan 8.380 nan 0.000 0.428 855 D N -1.359 119.148 120.400 0.178 0.000 2.622 855 D HA 0.602 5.242 4.640 -0.001 0.000 0.255 855 D C -1.328 174.927 176.300 -0.075 0.000 1.246 855 D CA -0.617 53.418 54.000 0.059 0.000 0.795 855 D CB 1.694 42.513 40.800 0.031 0.000 1.369 855 D HN 0.209 nan 8.370 nan 0.000 0.425 856 N N -1.596 116.939 118.700 -0.275 0.000 3.356 856 N HA 0.620 5.359 4.740 -0.001 0.000 0.246 856 N C -0.636 174.427 175.510 -0.745 0.000 1.480 856 N CA 0.704 53.359 53.050 -0.658 0.000 0.877 856 N CB 1.469 39.359 38.487 -0.995 0.000 1.431 856 N HN 1.904 nan 8.380 nan 0.000 0.500 857 A N -0.094 122.103 122.820 -1.037 0.000 2.415 857 A HA -0.112 4.208 4.320 -0.001 0.000 0.292 857 A C 0.379 177.571 177.584 -0.654 0.000 1.452 857 A CA 1.131 52.525 52.037 -1.071 0.000 0.750 857 A CB -2.407 15.859 19.000 -1.223 0.000 1.099 857 A HN 1.160 nan 8.150 nan 0.000 0.391 858 V N -2.182 117.451 119.914 -0.468 0.000 2.997 858 V HA 0.932 5.052 4.120 -0.001 0.000 0.311 858 V C 0.440 176.437 176.094 -0.163 0.000 1.066 858 V CA -0.138 62.025 62.300 -0.228 0.000 1.039 858 V CB 2.083 33.809 31.823 -0.160 0.000 1.081 858 V HN 1.036 nan 8.190 nan 0.000 0.467 859 S N 2.843 118.548 115.700 0.009 0.000 2.594 859 S HA 0.777 5.246 4.470 -0.001 0.000 0.296 859 S C -0.784 173.933 174.600 0.195 0.000 1.124 859 S CA -0.493 57.765 58.200 0.097 0.000 1.011 859 S CB 1.118 64.495 63.200 0.294 0.000 1.016 859 S HN 0.717 nan 8.310 nan 0.000 0.485 860 L N 2.428 123.707 121.223 0.093 0.000 2.385 860 L HA 0.551 4.890 4.340 -0.001 0.000 0.273 860 L C -0.407 176.535 176.870 0.120 0.000 0.990 860 L CA -0.583 54.358 54.840 0.169 0.000 0.821 860 L CB 1.279 43.377 42.059 0.064 0.000 1.279 860 L HN 0.547 nan 8.230 nan 0.000 0.412 861 W N 2.307 123.585 121.300 -0.038 0.000 2.183 861 W HA 0.264 4.924 4.660 -0.001 0.000 0.348 861 W C -2.052 174.446 176.519 -0.035 0.000 1.257 861 W CA -1.507 55.798 57.345 -0.067 0.000 1.324 861 W CB 1.088 30.486 29.460 -0.104 0.000 1.144 861 W HN 0.130 nan 8.180 nan 0.000 0.622 862 P HA 0.006 nan 4.420 nan 0.000 0.262 862 P C 0.553 177.901 177.300 0.081 0.000 1.182 862 P CA 2.024 65.157 63.100 0.054 0.000 0.761 862 P CB 0.220 31.946 31.700 0.044 0.000 0.795 863 G N 2.062 110.893 108.800 0.052 0.000 2.284 863 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.247 863 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.247 863 G C 0.142 175.076 174.900 0.055 0.000 1.012 863 G CA -0.242 44.888 45.100 0.050 0.000 0.618 863 G HN 0.559 nan 8.290 nan 0.000 0.521 864 E N 1.265 121.512 120.200 0.079 0.000 2.392 864 E HA 0.441 4.791 4.350 -0.001 0.000 0.264 864 E C -0.215 176.418 176.600 0.055 0.000 1.024 864 E CA 0.675 57.123 56.400 0.081 0.000 0.903 864 E CB 0.617 30.394 29.700 0.129 0.000 0.963 864 E HN 0.204 nan 8.360 nan 0.000 0.432 865 T N 1.702 116.283 114.554 0.046 0.000 2.863 865 T HA 0.374 4.723 4.350 -0.001 0.000 0.285 865 T C -0.476 174.243 174.700 0.033 0.000 1.009 865 T CA -0.516 61.604 62.100 0.032 0.000 0.989 865 T CB 1.875 70.759 68.868 0.027 0.000 1.004 865 T HN 0.289 nan 8.240 nan 0.000 0.455 866 T N 1.639 116.207 114.554 0.024 0.000 2.893 866 T HA 0.595 4.944 4.350 -0.001 0.000 0.293 866 T C -0.956 173.761 174.700 0.027 0.000 1.027 866 T CA -0.412 61.703 62.100 0.025 0.000 0.988 866 T CB 1.312 70.190 68.868 0.018 0.000 1.043 866 T HN 0.538 nan 8.240 nan 0.000 0.461 867 T N 4.956 119.532 114.554 0.038 0.000 2.770 867 T HA 0.633 4.982 4.350 -0.001 0.000 0.283 867 T C -0.537 174.209 174.700 0.077 0.000 0.988 867 T CA -0.500 61.631 62.100 0.052 0.000 0.957 867 T CB 0.397 69.291 68.868 0.043 0.000 0.930 867 T HN 0.380 nan 8.240 nan 0.000 0.443 868 L N 2.359 123.656 121.223 0.123 0.000 2.333 868 L HA 0.688 5.028 4.340 -0.001 0.000 0.269 868 L C 0.124 177.149 176.870 0.258 0.000 1.010 868 L CA -0.917 54.053 54.840 0.218 0.000 0.818 868 L CB 2.172 44.393 42.059 0.270 0.000 1.306 868 L HN 0.514 nan 8.230 nan 0.000 0.430 869 T N 1.459 116.160 114.554 0.246 0.000 2.841 869 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 869 T C -0.626 173.984 174.700 -0.150 0.000 0.991 869 T CA -0.477 61.652 62.100 0.048 0.000 0.966 869 T CB 1.730 70.610 68.868 0.020 0.000 0.962 869 T HN 0.653 nan 8.240 nan 0.000 0.438 870 A N 3.790 126.292 122.820 -0.530 0.000 2.331 870 A HA 0.770 5.089 4.320 -0.001 0.000 0.320 870 A C -0.357 177.015 177.584 -0.353 0.000 1.138 870 A CA -0.782 50.724 52.037 -0.886 0.000 0.790 870 A CB 0.953 18.867 19.000 -1.808 0.000 1.206 870 A HN 0.699 nan 8.150 nan 0.000 0.470 871 K N 1.219 121.479 120.400 -0.235 0.000 2.259 871 K HA 0.692 5.012 4.320 -0.001 0.000 0.252 871 K C -1.564 175.031 176.600 -0.009 0.000 0.936 871 K CA -0.445 55.734 56.287 -0.180 0.000 0.810 871 K CB 1.963 34.376 32.500 -0.145 0.000 1.143 871 K HN 0.794 nan 8.250 nan 0.000 0.427 872 Y N -1.899 118.322 120.300 -0.133 0.000 2.713 872 Y HA 0.411 4.960 4.550 -0.001 0.000 0.335 872 Y C -0.980 174.877 175.900 -0.071 0.000 1.222 872 Y CA -1.552 56.492 58.100 -0.094 0.000 1.061 872 Y CB 0.662 39.061 38.460 -0.102 0.000 1.314 872 Y HN 0.272 nan 8.280 nan 0.000 0.453 873 R N 1.043 121.598 120.500 0.092 0.000 2.370 873 R HA 0.189 4.528 4.340 -0.001 0.000 0.309 873 R C 0.495 176.840 176.300 0.075 0.000 1.059 873 R CA 0.530 56.642 56.100 0.020 0.000 0.981 873 R CB 0.867 31.183 30.300 0.026 0.000 0.972 873 R HN 0.940 nan 8.270 nan 0.000 0.437 874 T N 2.451 116.984 114.554 -0.036 0.000 2.680 874 T HA -0.311 4.039 4.350 -0.001 0.000 0.268 874 T C 1.890 176.624 174.700 0.057 0.000 1.033 874 T CA 2.056 64.160 62.100 0.007 0.000 1.152 874 T CB -0.081 68.759 68.868 -0.046 0.000 0.859 874 T HN 0.774 nan 8.240 nan 0.000 0.452 875 A N 1.557 124.396 122.820 0.032 0.000 2.019 875 A HA -0.125 4.195 4.320 -0.001 0.000 0.219 875 A C 1.994 179.600 177.584 0.037 0.000 1.164 875 A CA 1.468 53.521 52.037 0.027 0.000 0.644 875 A CB -0.440 18.567 19.000 0.011 0.000 0.805 875 A HN 0.357 nan 8.150 nan 0.000 0.449 876 D N -0.479 119.957 120.400 0.060 0.000 2.348 876 D HA -0.050 4.590 4.640 -0.001 0.000 0.216 876 D C 1.452 177.770 176.300 0.030 0.000 0.970 876 D CA 0.328 54.355 54.000 0.045 0.000 0.889 876 D CB -0.017 40.815 40.800 0.053 0.000 0.912 876 D HN 0.243 nan 8.370 nan 0.000 0.524 877 L N 0.852 122.113 121.223 0.064 0.000 2.201 877 L HA -0.056 4.284 4.340 -0.001 0.000 0.212 877 L C 0.890 177.768 176.870 0.013 0.000 1.105 877 L CA 1.088 55.951 54.840 0.038 0.000 0.775 877 L CB -0.571 41.543 42.059 0.092 0.000 0.913 877 L HN 0.024 nan 8.230 nan 0.000 0.440 878 K N -0.498 119.911 120.400 0.015 0.000 3.071 878 K HA -0.246 4.073 4.320 -0.001 0.000 0.265 878 K C 1.019 177.621 176.600 0.004 0.000 1.060 878 K CA 0.308 56.598 56.287 0.004 0.000 0.767 878 K CB -2.031 30.465 32.500 -0.006 0.000 1.241 878 K HN 0.542 nan 8.250 nan 0.000 0.486 879 G N -0.688 108.118 108.800 0.010 0.000 2.199 879 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.254 879 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.254 879 G C 0.102 175.006 174.900 0.007 0.000 0.982 879 G CA 0.366 45.471 45.100 0.008 0.000 0.632 879 G HN 0.591 nan 8.290 nan 0.000 0.529 880 S N 0.491 116.195 115.700 0.007 0.000 2.592 880 S HA 0.532 5.002 4.470 -0.001 0.000 0.271 880 S C 0.829 175.438 174.600 0.015 0.000 1.326 880 S CA -0.087 58.115 58.200 0.004 0.000 1.024 880 S CB 0.455 63.651 63.200 -0.007 0.000 0.921 880 S HN 0.410 nan 8.310 nan 0.000 0.527 881 K N 3.656 124.063 120.400 0.011 0.000 2.295 881 K HA 0.284 4.603 4.320 -0.001 0.000 0.270 881 K C -2.389 174.224 176.600 0.021 0.000 1.011 881 K CA -1.437 54.861 56.287 0.019 0.000 0.953 881 K CB 0.048 32.556 32.500 0.012 0.000 0.956 881 K HN 0.504 nan 8.250 nan 0.000 0.477 882 P HA 0.149 nan 4.420 nan 0.000 0.285 882 P C -0.917 176.396 177.300 0.022 0.000 1.259 882 P CA -0.382 62.738 63.100 0.033 0.000 0.794 882 P CB 1.428 33.190 31.700 0.103 0.000 0.940 883 S N 0.839 116.541 115.700 0.003 0.000 2.689 883 S HA 0.627 5.097 4.470 -0.001 0.000 0.306 883 S C -0.520 174.094 174.600 0.023 0.000 1.104 883 S CA -0.681 57.526 58.200 0.012 0.000 0.973 883 S CB 1.381 64.582 63.200 0.002 0.000 1.121 883 S HN 0.214 nan 8.310 nan 0.000 0.523 884 V N 1.858 121.796 119.914 0.041 0.000 2.483 884 V HA 0.491 4.611 4.120 -0.001 0.000 0.297 884 V C -0.155 175.961 176.094 0.036 0.000 1.027 884 V CA -0.722 61.621 62.300 0.072 0.000 0.855 884 V CB 1.469 33.368 31.823 0.126 0.000 0.995 884 V HN 0.738 nan 8.190 nan 0.000 0.424 885 R N 4.811 125.327 120.500 0.026 0.000 2.229 885 R HA 0.676 5.016 4.340 -0.001 0.000 0.328 885 R C -1.229 175.050 176.300 -0.034 0.000 1.009 885 R CA -0.433 55.662 56.100 -0.007 0.000 0.864 885 R CB 0.781 31.074 30.300 -0.012 0.000 1.085 885 R HN 0.717 nan 8.270 nan 0.000 0.453 886 I N 3.389 123.929 120.570 -0.050 0.000 2.411 886 I HA 0.237 4.406 4.170 -0.001 0.000 0.284 886 I C -0.676 175.389 176.117 -0.086 0.000 1.012 886 I CA -0.381 60.869 61.300 -0.085 0.000 1.119 886 I CB 2.077 40.031 38.000 -0.077 0.000 1.261 886 I HN 0.522 nan 8.210 nan 0.000 0.448 887 S N 3.705 119.343 115.700 -0.104 0.000 2.502 887 S HA 0.802 5.271 4.470 -0.001 0.000 0.304 887 S C 0.036 174.574 174.600 -0.103 0.000 1.097 887 S CA -0.761 57.384 58.200 -0.090 0.000 1.045 887 S CB 2.000 65.158 63.200 -0.070 0.000 1.019 887 S HN 0.767 nan 8.310 nan 0.000 0.481 888 G N 0.683 109.435 108.800 -0.081 0.000 2.498 888 G HA2 0.437 4.396 3.960 -0.001 0.000 0.312 888 G HA3 0.437 4.396 3.960 -0.001 0.000 0.312 888 G C 0.282 175.189 174.900 0.012 0.000 1.230 888 G CA -0.866 44.201 45.100 -0.054 0.000 0.968 888 G HN 0.768 nan 8.290 nan 0.000 0.481 889 W N 1.885 123.114 121.300 -0.118 0.000 2.317 889 W HA -0.155 4.504 4.660 -0.001 0.000 0.318 889 W C 0.999 177.500 176.519 -0.030 0.000 1.227 889 W CA 2.003 59.301 57.345 -0.079 0.000 1.269 889 W CB 0.207 29.616 29.460 -0.086 0.000 1.155 889 W HN 0.647 nan 8.180 nan 0.000 0.484 890 N N -0.390 118.425 118.700 0.193 0.000 2.282 890 N HA -0.023 4.716 4.740 -0.001 0.000 0.240 890 N C 0.493 176.002 175.510 -0.002 0.000 1.182 890 N CA 0.968 54.063 53.050 0.075 0.000 0.874 890 N CB -0.547 38.058 38.487 0.197 0.000 1.126 890 N HN 0.088 nan 8.380 nan 0.000 0.516 891 T N -4.530 110.006 114.554 -0.030 0.000 3.091 891 T HA 0.466 4.815 4.350 -0.001 0.000 0.277 891 T C 0.922 175.583 174.700 -0.065 0.000 0.996 891 T CA 0.254 62.325 62.100 -0.048 0.000 0.897 891 T CB 0.259 69.097 68.868 -0.050 0.000 1.109 891 T HN 0.385 nan 8.240 nan 0.000 0.534 892 G N 1.310 110.058 108.800 -0.086 0.000 2.645 892 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.246 892 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.246 892 G C -0.464 174.387 174.900 -0.081 0.000 1.322 892 G CA -0.217 44.829 45.100 -0.090 0.000 0.898 892 G HN 0.815 nan 8.290 nan 0.000 0.573 893 T N 1.160 115.671 114.554 -0.072 0.000 2.886 893 T HA 0.660 5.010 4.350 -0.001 0.000 0.292 893 T C -0.083 174.586 174.700 -0.052 0.000 1.012 893 T CA 0.168 62.230 62.100 -0.064 0.000 0.982 893 T CB 1.740 70.570 68.868 -0.064 0.000 1.018 893 T HN 1.023 nan 8.240 nan 0.000 0.451 894 Q N 0.299 120.071 119.800 -0.046 0.000 2.416 894 Q HA 0.769 5.109 4.340 -0.001 0.000 0.281 894 Q C -1.291 174.692 176.000 -0.029 0.000 1.067 894 Q CA -1.051 54.731 55.803 -0.036 0.000 0.809 894 Q CB 2.248 30.967 28.738 -0.033 0.000 1.418 894 Q HN 0.599 nan 8.270 nan 0.000 0.411 895 T N -0.703 113.838 114.554 -0.021 0.000 2.876 895 T HA 0.664 5.014 4.350 -0.001 0.000 0.289 895 T C -0.465 174.232 174.700 -0.006 0.000 1.014 895 T CA -0.267 61.825 62.100 -0.013 0.000 0.986 895 T CB 1.504 70.365 68.868 -0.012 0.000 1.021 895 T HN 0.920 nan 8.240 nan 0.000 0.458 896 V N 1.509 121.425 119.914 0.003 0.000 2.815 896 V HA 0.907 5.026 4.120 -0.001 0.000 0.314 896 V C -2.778 173.324 176.094 0.013 0.000 1.064 896 V CA -2.864 59.440 62.300 0.007 0.000 0.952 896 V CB 1.532 33.362 31.823 0.011 0.000 1.020 896 V HN 0.849 nan 8.190 nan 0.000 0.439 897 P HA 0.385 nan 4.420 nan 0.000 0.274 897 P C -0.115 177.199 177.300 0.023 0.000 1.231 897 P CA -0.079 63.029 63.100 0.014 0.000 0.790 897 P CB 1.770 33.476 31.700 0.009 0.000 0.951 898 A N -0.270 122.568 122.820 0.029 0.000 2.603 898 A HA 0.586 4.905 4.320 -0.001 0.000 0.277 898 A C 0.443 178.046 177.584 0.033 0.000 1.158 898 A CA 0.838 52.897 52.037 0.037 0.000 0.962 898 A CB -0.390 18.643 19.000 0.056 0.000 1.189 898 A HN 0.716 nan 8.150 nan 0.000 0.552 899 D N 0.000 120.415 120.400 0.025 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