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 2vzo_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 EFAPDRRIEQ GYLDAMKAAD FLLPVIPAAS DATA SEQUENCE ARPSPITGAS GMKMNGPYDY VPPVYWYDKS QKDRGGAWSF NSETSAGVDI DATA SEQUENCE PTMDTLKRMM SASELDTMWK NPSAKQYHRS SSDTFGNLKL FGDALTKRYG DATA SEQUENCE ASANLNDFVR KAQLSQYENV RAEFESHSRN YTDSTNPSTG LIYWMLNSPW DATA SEQUENCE TSLHWQLFDA YMDQNGAYYG AKKANEPLHI QYSHDNRSVV VINQTSNAVS DATA SEQUENCE GLTATTKLYN LDGTEKYSNT KTGLSVGALG AKATAVTVPA VSGLSTTYLA DATA SEQUENCE KNVLTDSSGK EVSRNVYWLS TKADTLNWGG SDWYYTPQSA FADLSGLNNL DATA SEQUENCE GQSAVGATAN SVAGADGTTT TTVTLKNTSG GRLPAFYVDS KVVDSAGKPV DATA SEQUENCE 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 0.000 174.933 174.900 0.055 0.000 0.946 49 G CA 0.000 45.129 45.100 0.048 0.000 0.502 50 N N 1.258 119.997 118.700 0.065 0.000 2.412 50 N HA 0.395 5.134 4.740 -0.001 0.000 0.258 50 N C -0.267 175.291 175.510 0.079 0.000 1.236 50 N CA 0.968 54.060 53.050 0.070 0.000 0.882 50 N CB 1.039 39.571 38.487 0.074 0.000 1.066 50 N HN 0.334 nan 8.380 nan 0.000 0.465 51 A N 3.331 126.197 122.820 0.077 0.000 2.522 51 A HA 0.394 4.714 4.320 -0.001 0.000 0.285 51 A C -0.774 176.864 177.584 0.089 0.000 1.198 51 A CA -0.677 51.413 52.037 0.089 0.000 0.742 51 A CB 0.792 19.839 19.000 0.078 0.000 1.176 51 A HN 0.577 nan 8.150 nan 0.000 0.444 52 T N 4.648 119.260 114.554 0.097 0.000 2.792 52 T HA 0.573 4.922 4.350 -0.001 0.000 0.280 52 T C -2.853 171.907 174.700 0.100 0.000 0.990 52 T CA -1.156 60.997 62.100 0.089 0.000 0.960 52 T CB 1.454 70.368 68.868 0.077 0.000 0.939 52 T HN 0.383 nan 8.240 nan 0.000 0.439 53 P HA 0.238 nan 4.420 nan 0.000 0.271 53 P C -0.170 177.177 177.300 0.079 0.000 1.216 53 P CA -0.472 62.689 63.100 0.102 0.000 0.771 53 P CB 0.316 32.073 31.700 0.096 0.000 0.864 54 I N 6.218 126.834 120.570 0.077 0.000 2.662 54 I HA -0.003 4.167 4.170 -0.001 0.000 0.285 54 I C -0.867 175.211 176.117 -0.065 0.000 1.161 54 I CA -1.030 60.257 61.300 -0.022 0.000 1.415 54 I CB 0.599 38.563 38.000 -0.060 0.000 1.385 54 I HN 0.377 nan 8.210 nan 0.000 0.552 55 P HA 0.063 nan 4.420 nan 0.000 0.225 55 P C 0.469 177.749 177.300 -0.035 0.000 1.156 55 P CA 0.665 63.757 63.100 -0.014 0.000 0.787 55 P CB 0.474 32.179 31.700 0.008 0.000 0.802 56 G N -1.913 106.764 108.800 -0.205 0.000 2.466 56 G HA2 0.502 4.461 3.960 -0.001 0.000 0.291 56 G HA3 0.502 4.461 3.960 -0.001 0.000 0.291 56 G C -2.199 172.447 174.900 -0.423 0.000 1.460 56 G CA -0.666 44.346 45.100 -0.147 0.000 0.791 56 G HN -0.072 nan 8.290 nan 0.000 0.505 57 Y N -1.565 118.862 120.300 0.212 0.000 2.638 57 Y HA 0.696 5.245 4.550 -0.001 0.000 0.339 57 Y C 0.280 176.317 175.900 0.227 0.000 1.084 57 Y CA -1.101 57.148 58.100 0.250 0.000 1.068 57 Y CB 2.342 41.014 38.460 0.353 0.000 1.294 57 Y HN 0.653 nan 8.280 nan 0.000 0.480 58 V N 1.157 121.335 119.914 0.439 0.000 2.513 58 V HA 0.800 4.920 4.120 -0.001 0.000 0.299 58 V C -0.513 175.942 176.094 0.603 0.000 1.035 58 V CA -0.845 61.723 62.300 0.447 0.000 0.889 58 V CB 1.243 33.282 31.823 0.360 0.000 0.988 58 V HN 0.733 nan 8.190 nan 0.000 0.440 59 I N 1.354 122.214 120.570 0.483 0.000 2.846 59 I HA 0.997 5.166 4.170 -0.001 0.000 0.307 59 I C -0.783 175.390 176.117 0.094 0.000 1.053 59 I CA -0.775 60.693 61.300 0.280 0.000 1.050 59 I CB 2.337 40.298 38.000 -0.066 0.000 1.239 59 I HN 0.744 nan 8.210 nan 0.000 0.439 60 Q N 2.558 122.156 119.800 -0.337 0.000 2.479 60 Q HA 0.342 4.682 4.340 -0.001 0.000 0.276 60 Q C -1.249 174.156 176.000 -0.991 0.000 0.989 60 Q CA -0.398 54.870 55.803 -0.892 0.000 0.864 60 Q CB 2.305 29.739 28.738 -2.173 0.000 1.444 60 Q HN 0.886 nan 8.270 nan 0.000 0.388 61 S N 0.392 115.086 115.700 -1.676 0.000 2.552 61 S HA 0.087 4.556 4.470 -0.001 0.000 0.289 61 S C 1.011 175.261 174.600 -0.584 0.000 1.304 61 S CA 0.733 58.027 58.200 -1.511 0.000 1.063 61 S CB 0.198 62.604 63.200 -1.323 0.000 0.848 61 S HN 0.738 nan 8.310 nan 0.000 0.499 62 S N 4.389 119.912 115.700 -0.295 0.000 2.493 62 S HA -0.103 4.367 4.470 -0.001 0.000 0.243 62 S C 1.917 176.474 174.600 -0.072 0.000 0.991 62 S CA 0.789 58.995 58.200 0.010 0.000 0.957 62 S CB -0.679 62.519 63.200 -0.003 0.000 0.756 62 S HN 0.940 nan 8.310 nan 0.000 0.521 63 A N 1.320 124.028 122.820 -0.188 0.000 2.084 63 A HA -0.130 4.190 4.320 -0.001 0.000 0.221 63 A C 2.221 179.738 177.584 -0.112 0.000 1.161 63 A CA 1.465 53.417 52.037 -0.141 0.000 0.653 63 A CB -0.436 18.458 19.000 -0.177 0.000 0.802 63 A HN 0.704 nan 8.150 nan 0.000 0.457 64 Q N -1.113 118.604 119.800 -0.138 0.000 2.247 64 Q HA 0.226 4.565 4.340 -0.001 0.000 0.211 64 Q C -0.774 175.229 176.000 0.004 0.000 0.861 64 Q CA 0.123 55.873 55.803 -0.090 0.000 0.949 64 Q CB 1.013 29.651 28.738 -0.167 0.000 1.115 64 Q HN 0.370 nan 8.270 nan 0.000 0.507 65 V N 2.016 121.942 119.914 0.021 0.000 2.376 65 V HA 0.096 4.216 4.120 -0.001 0.000 0.287 65 V C 0.831 176.944 176.094 0.031 0.000 1.015 65 V CA -0.075 62.249 62.300 0.040 0.000 0.834 65 V CB 1.567 33.357 31.823 -0.055 0.000 1.001 65 V HN 0.205 nan 8.190 nan 0.000 0.428 66 S N 1.550 117.260 115.700 0.018 0.000 2.503 66 S HA 0.118 4.588 4.470 -0.001 0.000 0.217 66 S C 0.388 174.988 174.600 0.001 0.000 0.999 66 S CA 0.115 58.324 58.200 0.015 0.000 0.914 66 S CB 0.166 63.373 63.200 0.011 0.000 0.782 66 S HN 0.693 nan 8.310 nan 0.000 0.520 67 D N 0.814 121.188 120.400 -0.044 0.000 2.440 67 D HA 0.364 5.004 4.640 -0.001 0.000 0.252 67 D C -0.285 175.860 176.300 -0.258 0.000 1.180 67 D CA -0.438 53.505 54.000 -0.095 0.000 0.894 67 D CB 1.438 42.191 40.800 -0.078 0.000 1.111 67 D HN -0.220 nan 8.370 nan 0.000 0.544 68 D N 0.972 121.237 120.400 -0.226 0.000 2.123 68 D HA -0.192 4.447 4.640 -0.001 0.000 0.196 68 D C 2.018 177.646 176.300 -1.121 0.000 0.992 68 D CA 1.633 55.364 54.000 -0.449 0.000 0.833 68 D CB -0.104 40.688 40.800 -0.014 0.000 0.954 68 D HN 0.514 nan 8.370 nan 0.000 0.455 69 S N 0.464 115.611 115.700 -0.920 0.000 2.402 69 S HA -0.182 4.287 4.470 -0.001 0.000 0.233 69 S C 2.084 176.339 174.600 -0.575 0.000 1.030 69 S CA 1.369 59.097 58.200 -0.787 0.000 1.003 69 S CB -0.406 62.702 63.200 -0.153 0.000 0.813 69 S HN 0.267 nan 8.310 nan 0.000 0.477 70 A N 1.160 123.650 122.820 -0.551 0.000 2.014 70 A HA 0.186 4.505 4.320 -0.001 0.000 0.218 70 A C 2.329 179.371 177.584 -0.903 0.000 1.163 70 A CA 1.191 52.954 52.037 -0.457 0.000 0.652 70 A CB -0.832 18.053 19.000 -0.191 0.000 0.808 70 A HN 0.475 nan 8.150 nan 0.000 0.449 71 V N 0.941 120.018 119.914 -1.394 0.000 2.295 71 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 71 V C 2.663 178.207 176.094 -0.917 0.000 1.049 71 V CA 2.277 63.479 62.300 -1.829 0.000 1.024 71 V CB -0.921 29.802 31.823 -1.833 0.000 0.648 71 V HN 0.753 nan 8.190 nan 0.000 0.447 72 S N -1.340 114.034 115.700 -0.543 0.000 2.593 72 S HA 0.110 4.579 4.470 -0.001 0.000 0.217 72 S C 0.619 175.162 174.600 -0.095 0.000 0.966 72 S CA -0.119 57.971 58.200 -0.183 0.000 0.914 72 S CB -0.411 62.800 63.200 0.019 0.000 0.776 72 S HN 0.567 nan 8.310 nan 0.000 0.523 73 K N 2.913 123.230 120.400 -0.138 0.000 2.297 73 K HA 0.318 4.637 4.320 -0.001 0.000 0.286 73 K C -2.824 173.786 176.600 0.015 0.000 1.053 73 K CA -2.150 54.122 56.287 -0.026 0.000 0.940 73 K CB 0.380 32.865 32.500 -0.025 0.000 1.019 73 K HN 0.105 nan 8.250 nan 0.000 0.475 74 P HA -0.075 nan 4.420 nan 0.000 0.264 74 P C 0.551 177.871 177.300 0.034 0.000 1.183 74 P CA 0.793 63.926 63.100 0.055 0.000 0.763 74 P CB 0.597 32.359 31.700 0.103 0.000 0.807 75 G N 2.192 111.002 108.800 0.016 0.000 2.176 75 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.253 75 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.253 75 G C 0.037 174.920 174.900 -0.028 0.000 0.979 75 G CA -0.506 44.585 45.100 -0.015 0.000 0.641 75 G HN 0.546 nan 8.290 nan 0.000 0.530 76 F N 4.257 124.105 119.950 -0.171 0.000 2.578 76 F HA 0.472 4.999 4.527 -0.001 0.000 0.381 76 F C -0.888 174.739 175.800 -0.289 0.000 1.069 76 F CA -1.726 56.130 58.000 -0.241 0.000 1.231 76 F CB 0.519 39.332 39.000 -0.312 0.000 1.086 76 F HN 0.065 nan 8.300 nan 0.000 0.564 77 P HA 0.114 nan 4.420 nan 0.000 0.271 77 P C -0.448 176.290 177.300 -0.937 0.000 1.216 77 P CA -0.158 62.520 63.100 -0.703 0.000 0.771 77 P CB 0.891 32.259 31.700 -0.553 0.000 0.864 78 T N -2.573 111.600 114.554 -0.635 0.000 3.516 78 T HA 0.128 4.478 4.350 -0.001 0.000 0.300 78 T C 0.345 174.889 174.700 -0.260 0.000 0.995 78 T CA -0.497 61.112 62.100 -0.818 0.000 0.982 78 T CB -0.761 67.626 68.868 -0.800 0.000 1.199 78 T HN 0.371 nan 8.240 nan 0.000 0.481 79 S N 1.131 116.732 115.700 -0.165 0.000 2.555 79 S HA 0.422 4.892 4.470 -0.001 0.000 0.293 79 S C 1.806 176.435 174.600 0.049 0.000 1.248 79 S CA 1.042 59.208 58.200 -0.055 0.000 1.096 79 S CB -0.717 62.428 63.200 -0.091 0.000 0.881 79 S HN 1.691 nan 8.310 nan 0.000 0.498 80 G N 4.076 112.878 108.800 0.003 0.000 2.176 80 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.253 80 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.253 80 G C -0.072 174.693 174.900 -0.224 0.000 0.979 80 G CA 0.079 45.122 45.100 -0.095 0.000 0.641 80 G HN 0.678 nan 8.290 nan 0.000 0.530 81 W N 0.549 121.666 121.300 -0.305 0.000 2.158 81 W HA 0.616 5.276 4.660 -0.001 0.000 0.339 81 W C 0.461 176.804 176.519 -0.294 0.000 1.294 81 W CA -0.401 56.783 57.345 -0.267 0.000 1.231 81 W CB 0.022 29.450 29.460 -0.052 0.000 1.143 81 W HN 0.145 nan 8.180 nan 0.000 0.571 82 Y N 3.958 124.417 120.300 0.266 0.000 2.383 82 Y HA 0.239 4.788 4.550 -0.001 0.000 0.344 82 Y C -1.552 174.467 175.900 0.198 0.000 0.986 82 Y CA -2.951 55.262 58.100 0.188 0.000 1.175 82 Y CB -0.174 38.377 38.460 0.153 0.000 1.152 82 Y HN 0.034 nan 8.280 nan 0.000 0.511 83 P HA 0.105 nan 4.420 nan 0.000 0.271 83 P C -0.715 176.718 177.300 0.222 0.000 1.220 83 P CA 0.054 63.290 63.100 0.227 0.000 0.768 83 P CB 1.289 33.084 31.700 0.158 0.000 0.848 84 V N 0.459 120.516 119.914 0.237 0.000 3.007 84 V HA 0.723 4.843 4.120 -0.001 0.000 0.311 84 V C 0.055 176.299 176.094 0.250 0.000 1.120 84 V CA -0.976 61.462 62.300 0.230 0.000 0.980 84 V CB 1.648 33.612 31.823 0.236 0.000 1.033 84 V HN 0.626 nan 8.190 nan 0.000 0.429 85 S N 2.239 118.070 115.700 0.218 0.000 2.634 85 S HA 0.497 4.966 4.470 -0.001 0.000 0.261 85 S C 0.531 175.313 174.600 0.303 0.000 1.271 85 S CA 0.223 58.551 58.200 0.213 0.000 0.985 85 S CB 1.175 64.479 63.200 0.172 0.000 0.968 85 S HN 1.619 nan 8.310 nan 0.000 0.568 86 S N 0.235 116.096 115.700 0.268 0.000 2.566 86 S HA 0.170 4.639 4.470 -0.001 0.000 0.280 86 S C 0.581 175.347 174.600 0.278 0.000 1.343 86 S CA 0.018 58.408 58.200 0.315 0.000 1.036 86 S CB -0.572 62.759 63.200 0.219 0.000 0.866 86 S HN 0.802 nan 8.310 nan 0.000 0.526 87 R N 0.255 120.895 120.500 0.233 0.000 3.878 87 R HA -0.120 4.219 4.340 -0.001 0.000 0.330 87 R C -0.576 175.839 176.300 0.192 0.000 1.186 87 R CA 0.791 56.994 56.100 0.172 0.000 0.885 87 R CB -2.795 27.619 30.300 0.191 0.000 1.377 87 R HN 0.510 nan 8.270 nan 0.000 0.523 88 S N 0.973 116.802 115.700 0.216 0.000 2.525 88 S HA 0.327 4.796 4.470 -0.001 0.000 0.278 88 S C 0.873 175.590 174.600 0.194 0.000 1.234 88 S CA -0.398 57.929 58.200 0.212 0.000 1.058 88 S CB 1.789 65.129 63.200 0.234 0.000 0.983 88 S HN 0.295 nan 8.310 nan 0.000 0.495 89 T N -0.410 114.231 114.554 0.145 0.000 2.766 89 T HA 0.255 4.604 4.350 -0.001 0.000 0.295 89 T C 1.478 176.218 174.700 0.066 0.000 1.024 89 T CA -0.800 61.362 62.100 0.104 0.000 1.018 89 T CB 0.280 69.202 68.868 0.090 0.000 1.002 89 T HN 0.196 nan 8.240 nan 0.000 0.532 90 V N 0.686 120.567 119.914 -0.054 0.000 2.287 90 V HA -0.141 3.978 4.120 -0.001 0.000 0.248 90 V C 2.158 178.075 176.094 -0.295 0.000 1.053 90 V CA 2.016 64.147 62.300 -0.281 0.000 1.027 90 V CB -1.232 30.178 31.823 -0.687 0.000 0.646 90 V HN 0.919 nan 8.190 nan 0.000 0.447 91 Y N 1.198 121.208 120.300 -0.484 0.000 2.263 91 Y HA -0.044 4.505 4.550 -0.001 0.000 0.292 91 Y C 2.333 178.064 175.900 -0.282 0.000 1.130 91 Y CA 0.964 58.800 58.100 -0.439 0.000 1.179 91 Y CB -0.618 37.480 38.460 -0.602 0.000 0.998 91 Y HN 0.138 nan 8.280 nan 0.000 0.532 92 A N 0.243 122.913 122.820 -0.250 0.000 1.908 92 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 92 A C 2.513 179.996 177.584 -0.167 0.000 1.181 92 A CA 1.827 53.731 52.037 -0.222 0.000 0.627 92 A CB -1.696 17.311 19.000 0.012 0.000 0.818 92 A HN 0.574 nan 8.150 nan 0.000 0.445 93 G N -0.289 108.456 108.800 -0.092 0.000 2.422 93 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.218 93 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.218 93 G C 1.530 176.355 174.900 -0.126 0.000 1.146 93 G CA 1.063 46.133 45.100 -0.050 0.000 0.769 93 G HN 0.455 nan 8.290 nan 0.000 0.547 94 L N -0.145 120.941 121.223 -0.228 0.000 2.109 94 L HA 0.062 4.401 4.340 -0.001 0.000 0.207 94 L C 2.868 179.601 176.870 -0.229 0.000 1.086 94 L CA 0.300 54.972 54.840 -0.280 0.000 0.760 94 L CB -0.400 41.576 42.059 -0.138 0.000 0.910 94 L HN 0.167 nan 8.230 nan 0.000 0.437 95 L N -0.563 120.471 121.223 -0.316 0.000 2.012 95 L HA -0.282 4.058 4.340 -0.001 0.000 0.210 95 L C 2.688 179.460 176.870 -0.162 0.000 1.073 95 L CA 1.439 56.100 54.840 -0.299 0.000 0.748 95 L CB -0.578 41.195 42.059 -0.477 0.000 0.891 95 L HN 0.366 nan 8.230 nan 0.000 0.431 96 Q N -0.275 119.455 119.800 -0.118 0.000 2.248 96 Q HA -0.184 4.155 4.340 -0.001 0.000 0.208 96 Q C 1.281 177.274 176.000 -0.011 0.000 0.984 96 Q CA 1.097 56.876 55.803 -0.040 0.000 0.875 96 Q CB 0.007 28.749 28.738 0.008 0.000 0.910 96 Q HN 0.532 nan 8.270 nan 0.000 0.433 97 N N -1.967 116.721 118.700 -0.020 0.000 2.235 97 N HA 0.073 4.812 4.740 -0.001 0.000 0.209 97 N C 0.563 176.077 175.510 0.005 0.000 1.122 97 N CA 0.760 53.832 53.050 0.038 0.000 0.845 97 N CB 1.690 40.260 38.487 0.138 0.000 1.004 97 N HN 0.338 nan 8.380 nan 0.000 0.499 98 G N 1.277 110.052 108.800 -0.043 0.000 2.612 98 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.200 98 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.200 98 G C 0.885 175.725 174.900 -0.100 0.000 1.053 98 G CA -0.005 45.064 45.100 -0.051 0.000 0.707 98 G HN 0.270 nan 8.290 nan 0.000 0.497 99 K N -0.560 119.725 120.400 -0.191 0.000 2.335 99 K HA 0.417 4.736 4.320 -0.001 0.000 0.195 99 K C -0.209 176.011 176.600 -0.633 0.000 1.058 99 K CA 0.220 56.273 56.287 -0.390 0.000 0.988 99 K CB 0.363 32.556 32.500 -0.512 0.000 0.880 99 K HN 0.384 nan 8.250 nan 0.000 0.513 100 Y N -0.428 119.866 120.300 -0.010 0.000 2.581 100 Y HA 0.475 5.025 4.550 -0.001 0.000 0.345 100 Y C -0.010 175.903 175.900 0.021 0.000 1.036 100 Y CA -1.307 56.818 58.100 0.042 0.000 1.042 100 Y CB 1.432 39.969 38.460 0.128 0.000 1.289 100 Y HN -0.068 nan 8.280 nan 0.000 0.471 101 A N 0.346 123.312 122.820 0.243 0.000 2.366 101 A HA 0.192 4.511 4.320 -0.001 0.000 0.250 101 A C -0.278 177.411 177.584 0.175 0.000 1.099 101 A CA -0.246 51.894 52.037 0.172 0.000 0.794 101 A CB -0.089 19.022 19.000 0.185 0.000 1.056 101 A HN 0.733 nan 8.150 nan 0.000 0.499 102 D N 0.539 121.037 120.400 0.164 0.000 2.426 102 D HA 0.100 4.739 4.640 -0.001 0.000 0.261 102 D C -1.339 175.157 176.300 0.327 0.000 1.245 102 D CA -1.348 52.761 54.000 0.182 0.000 0.917 102 D CB 0.743 41.651 40.800 0.181 0.000 1.123 102 D HN 0.165 nan 8.370 nan 0.000 0.508 103 P HA -0.079 nan 4.420 nan 0.000 0.233 103 P C 1.045 178.859 177.300 0.856 0.000 1.167 103 P CA 0.302 63.747 63.100 0.575 0.000 0.770 103 P CB 0.062 32.112 31.700 0.583 0.000 0.837 104 F N -1.340 118.874 119.950 0.441 0.000 2.748 104 F HA 0.091 4.617 4.527 -0.001 0.000 0.299 104 F C 1.014 176.946 175.800 0.219 0.000 1.154 104 F CA -0.465 57.735 58.000 0.334 0.000 1.446 104 F CB -0.951 38.207 39.000 0.263 0.000 1.112 104 F HN -0.092 nan 8.300 nan 0.000 0.584 105 Y N -0.125 120.378 120.300 0.338 0.000 2.328 105 Y HA 0.465 5.014 4.550 -0.001 0.000 0.337 105 Y C 0.852 176.883 175.900 0.219 0.000 0.966 105 Y CA -0.527 57.670 58.100 0.162 0.000 1.136 105 Y CB 0.812 39.359 38.460 0.144 0.000 1.170 105 Y HN 0.025 nan 8.280 nan 0.000 0.470 106 S N 2.597 117.951 115.700 -0.577 0.000 3.416 106 S HA -0.322 4.147 4.470 -0.001 0.000 0.627 106 S C 1.033 175.693 174.600 0.101 0.000 2.746 106 S CA 2.159 60.112 58.200 -0.412 0.000 3.896 106 S CB -1.593 61.072 63.200 -0.891 0.000 0.264 106 S HN 1.326 nan 8.310 nan 0.000 1.229 107 T N -0.019 114.490 114.554 -0.075 0.000 3.244 107 T HA 0.315 4.664 4.350 -0.001 0.000 0.254 107 T C 1.146 175.819 174.700 -0.046 0.000 1.024 107 T CA 0.626 62.597 62.100 -0.216 0.000 0.920 107 T CB -0.418 68.208 68.868 -0.402 0.000 1.042 107 T HN 0.453 nan 8.240 nan 0.000 0.572 108 N N 2.020 120.795 118.700 0.126 0.000 2.069 108 N HA -0.154 4.586 4.740 -0.001 0.000 0.196 108 N C 1.551 177.167 175.510 0.177 0.000 1.024 108 N CA 1.616 54.778 53.050 0.187 0.000 0.869 108 N CB -0.422 38.238 38.487 0.289 0.000 1.035 108 N HN 0.479 nan 8.380 nan 0.000 0.434 109 M N 0.764 120.531 119.600 0.279 0.000 2.267 109 M HA -0.185 4.295 4.480 -0.001 0.000 0.263 109 M C 1.754 178.092 176.300 0.065 0.000 1.063 109 M CA 1.396 56.829 55.300 0.222 0.000 1.090 109 M CB 0.022 32.863 32.600 0.401 0.000 1.392 109 M HN 0.188 nan 8.290 nan 0.000 0.422 110 Q N -0.187 119.618 119.800 0.009 0.000 2.224 110 Q HA -0.118 4.222 4.340 -0.001 0.000 0.203 110 Q C 0.939 176.900 176.000 -0.066 0.000 0.970 110 Q CA 0.977 56.732 55.803 -0.080 0.000 0.865 110 Q CB -0.078 28.513 28.738 -0.245 0.000 0.922 110 Q HN 0.579 nan 8.270 nan 0.000 0.445 111 N N -0.019 118.657 118.700 -0.040 0.000 2.521 111 N HA 0.003 4.742 4.740 -0.001 0.000 0.188 111 N C -0.439 175.043 175.510 -0.047 0.000 1.146 111 N CA 0.256 53.297 53.050 -0.015 0.000 0.893 111 N CB 0.396 38.907 38.487 0.039 0.000 0.975 111 N HN -0.028 nan 8.380 nan 0.000 0.451 112 V N 2.820 122.644 119.914 -0.149 0.000 2.406 112 V HA 0.226 4.345 4.120 -0.001 0.000 0.272 112 V C -2.038 173.941 176.094 -0.191 0.000 1.043 112 V CA -1.629 60.464 62.300 -0.345 0.000 0.915 112 V CB 1.098 32.568 31.823 -0.589 0.000 0.988 112 V HN -0.045 nan 8.190 nan 0.000 0.466 113 P HA 0.234 nan 4.420 nan 0.000 0.271 113 P C 0.322 177.551 177.300 -0.120 0.000 1.233 113 P CA -0.062 62.984 63.100 -0.089 0.000 0.764 113 P CB 1.075 32.742 31.700 -0.055 0.000 0.825 114 A N 3.747 126.542 122.820 -0.043 0.000 2.195 114 A HA 0.219 4.539 4.320 -0.001 0.000 0.210 114 A C 1.971 179.563 177.584 0.012 0.000 1.165 114 A CA 1.016 53.102 52.037 0.082 0.000 0.806 114 A CB -0.783 18.268 19.000 0.085 0.000 0.847 114 A HN 0.491 nan 8.150 nan 0.000 0.482 115 A N 0.977 123.759 122.820 -0.063 0.000 1.933 115 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 115 A C 2.105 179.640 177.584 -0.081 0.000 1.175 115 A CA 1.560 53.571 52.037 -0.043 0.000 0.628 115 A CB -0.682 18.297 19.000 -0.034 0.000 0.814 115 A HN 0.757 nan 8.150 nan 0.000 0.444 116 Q N -1.624 118.033 119.800 -0.238 0.000 2.368 116 Q HA -0.140 4.199 4.340 -0.001 0.000 0.210 116 Q C 0.600 176.556 176.000 -0.074 0.000 0.982 116 Q CA 1.504 57.162 55.803 -0.242 0.000 0.884 116 Q CB -0.524 27.980 28.738 -0.390 0.000 0.933 116 Q HN 0.603 nan 8.270 nan 0.000 0.460 117 F N 0.117 120.188 119.950 0.201 0.000 2.641 117 F HA 0.342 4.868 4.527 -0.001 0.000 0.302 117 F C 1.123 176.991 175.800 0.113 0.000 1.098 117 F CA -0.505 57.583 58.000 0.147 0.000 1.318 117 F CB 0.694 39.674 39.000 -0.033 0.000 1.035 117 F HN -0.057 nan 8.300 nan 0.000 0.551 118 S N -0.053 115.771 115.700 0.207 0.000 2.577 118 S HA 0.219 4.688 4.470 -0.001 0.000 0.219 118 S C 0.396 175.066 174.600 0.118 0.000 0.962 118 S CA -0.123 58.160 58.200 0.139 0.000 0.921 118 S CB -0.153 63.098 63.200 0.085 0.000 0.789 118 S HN 0.089 nan 8.310 nan 0.000 0.497 119 V N -1.226 118.777 119.914 0.148 0.000 3.001 119 V HA 0.703 4.822 4.120 -0.001 0.000 0.314 119 V C -3.204 172.965 176.094 0.125 0.000 1.099 119 V CA -3.218 59.129 62.300 0.077 0.000 0.989 119 V CB 1.217 33.040 31.823 0.001 0.000 1.040 119 V HN -0.203 nan 8.190 nan 0.000 0.434 120 P HA 0.175 nan 4.420 nan 0.000 0.268 120 P C -1.453 175.840 177.300 -0.013 0.000 1.208 120 P CA 0.383 63.390 63.100 -0.155 0.000 0.777 120 P CB 0.225 31.524 31.700 -0.668 0.000 0.875 121 W N 1.430 122.655 121.300 -0.124 0.000 2.702 121 W HA 0.397 5.057 4.660 -0.001 0.000 0.331 121 W C -0.982 175.536 176.519 -0.003 0.000 1.049 121 W CA 0.266 57.603 57.345 -0.013 0.000 1.230 121 W CB 0.960 30.475 29.460 0.091 0.000 1.408 121 W HN 0.390 nan 8.180 nan 0.000 0.492 122 W N 2.647 124.033 121.300 0.143 0.000 2.376 122 W HA 0.408 5.068 4.660 -0.001 0.000 0.322 122 W C -0.734 175.986 176.519 0.335 0.000 1.160 122 W CA -0.458 57.048 57.345 0.268 0.000 1.218 122 W CB 0.513 30.133 29.460 0.267 0.000 1.205 122 W HN 0.140 nan 8.180 nan 0.000 0.559 123 Y N 3.139 123.754 120.300 0.526 0.000 2.328 123 Y HA 0.435 4.985 4.550 -0.001 0.000 0.333 123 Y C 0.387 176.649 175.900 0.604 0.000 0.958 123 Y CA -1.064 57.280 58.100 0.408 0.000 1.167 123 Y CB 1.186 39.582 38.460 -0.107 0.000 1.151 123 Y HN 0.235 nan 8.280 nan 0.000 0.470 124 R N 1.906 122.848 120.500 0.737 0.000 2.750 124 R HA 0.738 5.078 4.340 -0.001 0.000 0.281 124 R C -1.385 175.206 176.300 0.485 0.000 0.972 124 R CA -0.389 56.037 56.100 0.543 0.000 0.912 124 R CB 2.270 32.743 30.300 0.288 0.000 1.187 124 R HN 0.683 nan 8.270 nan 0.000 0.464 125 T N 1.025 115.780 114.554 0.336 0.000 2.853 125 T HA 0.270 4.619 4.350 -0.001 0.000 0.311 125 T C -1.611 173.153 174.700 0.107 0.000 1.307 125 T CA -0.732 61.476 62.100 0.181 0.000 1.019 125 T CB 1.441 70.365 68.868 0.093 0.000 1.264 125 T HN 0.549 nan 8.240 nan 0.000 0.497 126 D N 1.947 122.381 120.400 0.056 0.000 2.283 126 D HA 0.537 5.176 4.640 -0.001 0.000 0.248 126 D C -0.376 175.946 176.300 0.036 0.000 1.072 126 D CA -0.053 53.971 54.000 0.040 0.000 0.929 126 D CB 1.232 42.048 40.800 0.026 0.000 1.182 126 D HN 0.379 nan 8.370 nan 0.000 0.433 127 L N 1.623 122.864 121.223 0.030 0.000 2.410 127 L HA 0.331 4.671 4.340 -0.001 0.000 0.270 127 L C -0.273 176.609 176.870 0.019 0.000 0.983 127 L CA -0.856 54.000 54.840 0.027 0.000 0.822 127 L CB 1.705 43.783 42.059 0.031 0.000 1.285 127 L HN 0.096 nan 8.230 nan 0.000 0.409 128 N N 1.690 120.406 118.700 0.026 0.000 2.444 128 N HA 0.367 5.106 4.740 -0.001 0.000 0.271 128 N C -0.971 174.555 175.510 0.027 0.000 1.069 128 N CA -0.366 52.702 53.050 0.029 0.000 0.965 128 N CB 1.799 40.305 38.487 0.031 0.000 1.092 128 N HN 0.188 nan 8.380 nan 0.000 0.476 129 V N 2.473 122.402 119.914 0.026 0.000 2.313 129 V HA 0.102 4.221 4.120 -0.001 0.000 0.278 129 V C 0.225 176.343 176.094 0.039 0.000 1.017 129 V CA -0.486 61.829 62.300 0.026 0.000 0.823 129 V CB 1.297 33.122 31.823 0.003 0.000 1.010 129 V HN 0.709 nan 8.190 nan 0.000 0.443 130 D N 2.619 123.041 120.400 0.038 0.000 2.224 130 D HA -0.004 4.636 4.640 -0.001 0.000 0.205 130 D C 0.511 176.834 176.300 0.038 0.000 0.965 130 D CA 1.256 55.279 54.000 0.038 0.000 0.852 130 D CB 0.394 41.215 40.800 0.034 0.000 0.947 130 D HN 0.741 nan 8.370 nan 0.000 0.494 131 D N -1.818 118.604 120.400 0.038 0.000 2.891 131 D HA 0.103 4.743 4.640 -0.001 0.000 0.224 131 D C -0.149 176.172 176.300 0.035 0.000 1.321 131 D CA -0.410 53.612 54.000 0.037 0.000 0.929 131 D CB 1.242 42.063 40.800 0.036 0.000 1.551 131 D HN -0.175 nan 8.370 nan 0.000 0.574 132 T N 0.264 114.839 114.554 0.035 0.000 3.244 132 T HA 0.149 4.498 4.350 -0.001 0.000 0.254 132 T C 1.451 176.169 174.700 0.029 0.000 1.024 132 T CA -0.127 61.991 62.100 0.030 0.000 0.920 132 T CB 0.300 69.188 68.868 0.033 0.000 1.042 132 T HN 0.171 nan 8.240 nan 0.000 0.572 133 S N 1.467 117.187 115.700 0.033 0.000 2.355 133 S HA 0.058 4.527 4.470 -0.001 0.000 0.222 133 S C 1.180 175.803 174.600 0.039 0.000 1.031 133 S CA 0.341 58.561 58.200 0.034 0.000 0.993 133 S CB -0.270 62.951 63.200 0.034 0.000 0.859 133 S HN 0.621 nan 8.310 nan 0.000 0.453 134 S N 2.015 117.743 115.700 0.046 0.000 2.576 134 S HA 0.284 4.753 4.470 -0.001 0.000 0.276 134 S C 0.209 174.841 174.600 0.053 0.000 1.339 134 S CA -0.441 57.796 58.200 0.063 0.000 1.039 134 S CB 0.567 63.812 63.200 0.075 0.000 0.902 134 S HN 0.384 nan 8.310 nan 0.000 0.516 135 R N 1.139 121.684 120.500 0.075 0.000 2.827 135 R HA 0.257 4.596 4.340 -0.001 0.000 0.269 135 R C -0.287 176.013 176.300 0.001 0.000 1.048 135 R CA 0.233 56.342 56.100 0.015 0.000 1.173 135 R CB 0.116 30.472 30.300 0.092 0.000 1.070 135 R HN 0.498 nan 8.270 nan 0.000 0.498 136 T N 1.583 115.988 114.554 -0.248 0.000 2.921 136 T HA 0.462 4.812 4.350 -0.001 0.000 0.297 136 T C -1.342 173.143 174.700 -0.359 0.000 1.013 136 T CA -0.667 61.354 62.100 -0.131 0.000 0.990 136 T CB 0.769 69.598 68.868 -0.065 0.000 1.023 136 T HN 0.369 nan 8.240 nan 0.000 0.447 137 Y N 1.138 121.488 120.300 0.084 0.000 2.524 137 Y HA 0.578 5.127 4.550 -0.001 0.000 0.347 137 Y C -0.447 175.546 175.900 0.154 0.000 1.005 137 Y CA -1.331 56.834 58.100 0.107 0.000 1.025 137 Y CB 1.664 40.181 38.460 0.095 0.000 1.275 137 Y HN 0.385 nan 8.280 nan 0.000 0.460 138 L N 3.303 124.742 121.223 0.361 0.000 2.265 138 L HA 0.381 4.720 4.340 -0.001 0.000 0.289 138 L C -0.994 176.174 176.870 0.497 0.000 1.033 138 L CA -0.320 54.784 54.840 0.440 0.000 0.814 138 L CB 0.966 43.308 42.059 0.471 0.000 1.203 138 L HN 0.602 nan 8.230 nan 0.000 0.423 139 D N 4.966 125.630 120.400 0.440 0.000 2.471 139 D HA 0.544 5.183 4.640 -0.001 0.000 0.245 139 D C -1.042 175.458 176.300 0.335 0.000 1.116 139 D CA -0.081 54.079 54.000 0.266 0.000 0.853 139 D CB 0.966 41.860 40.800 0.155 0.000 1.123 139 D HN 0.220 nan 8.370 nan 0.000 0.540 140 F N 0.698 120.748 119.950 0.168 0.000 2.741 140 F HA 0.764 5.291 4.527 -0.001 0.000 0.313 140 F C -0.868 175.010 175.800 0.130 0.000 1.153 140 F CA -0.937 57.143 58.000 0.134 0.000 0.931 140 F CB 0.872 39.953 39.000 0.136 0.000 1.335 140 F HN 0.169 nan 8.300 nan 0.000 0.460 141 S N -1.234 114.618 115.700 0.253 0.000 2.790 141 S HA 0.745 5.214 4.470 -0.001 0.000 0.292 141 S C 0.157 174.865 174.600 0.180 0.000 1.197 141 S CA -0.537 57.774 58.200 0.186 0.000 0.851 141 S CB 0.866 64.106 63.200 0.067 0.000 1.217 141 S HN 2.594 nan 8.310 nan 0.000 0.526 142 G N -0.279 108.562 108.800 0.067 0.000 2.149 142 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.235 142 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.235 142 G C 0.065 174.927 174.900 -0.062 0.000 1.018 142 G CA 0.079 45.160 45.100 -0.032 0.000 0.728 142 G HN 2.020 nan 8.290 nan 0.000 0.508 143 V N -0.935 118.974 119.914 -0.008 0.000 2.385 143 V HA 0.782 4.901 4.120 -0.001 0.000 0.269 143 V C 0.448 176.501 176.094 -0.069 0.000 1.043 143 V CA -1.119 61.139 62.300 -0.070 0.000 0.906 143 V CB 1.293 33.117 31.823 0.001 0.000 0.995 143 V HN 0.355 nan 8.190 nan 0.000 0.467 144 L N 5.624 126.791 121.223 -0.094 0.000 2.280 144 L HA 0.479 4.818 4.340 -0.001 0.000 0.287 144 L C 1.120 177.972 176.870 -0.029 0.000 1.023 144 L CA -0.171 54.627 54.840 -0.069 0.000 0.819 144 L CB 1.678 43.695 42.059 -0.070 0.000 1.212 144 L HN 0.900 nan 8.230 nan 0.000 0.420 145 S N 1.907 117.607 115.700 -0.000 0.000 2.492 145 S HA 0.142 4.611 4.470 -0.001 0.000 0.218 145 S C 0.336 174.914 174.600 -0.037 0.000 1.016 145 S CA -0.156 58.023 58.200 -0.035 0.000 0.916 145 S CB 0.279 63.453 63.200 -0.045 0.000 0.791 145 S HN 0.782 nan 8.310 nan 0.000 0.513 146 K N -0.719 119.684 120.400 0.005 0.000 2.685 146 K HA 0.720 5.039 4.320 -0.001 0.000 0.290 146 K C -1.883 174.768 176.600 0.084 0.000 1.018 146 K CA -0.909 55.366 56.287 -0.020 0.000 0.860 146 K CB 0.844 33.261 32.500 -0.138 0.000 1.498 146 K HN 0.278 nan 8.250 nan 0.000 0.390 147 A N 1.097 123.958 122.820 0.068 0.000 2.589 147 A HA 0.512 4.831 4.320 -0.001 0.000 0.296 147 A C -1.903 175.758 177.584 0.127 0.000 1.062 147 A CA -0.878 51.278 52.037 0.198 0.000 0.686 147 A CB 1.475 20.596 19.000 0.202 0.000 1.282 147 A HN 0.666 nan 8.150 nan 0.000 0.404 148 D N 0.970 121.495 120.400 0.209 0.000 2.256 148 D HA 0.471 5.111 4.640 -0.001 0.000 0.250 148 D C -0.388 175.950 176.300 0.063 0.000 1.093 148 D CA 0.214 54.273 54.000 0.099 0.000 0.882 148 D CB 1.776 42.717 40.800 0.234 0.000 1.185 148 D HN 0.227 nan 8.370 nan 0.000 0.437 149 V N 2.332 122.175 119.914 -0.119 0.000 2.448 149 V HA 0.412 4.531 4.120 -0.001 0.000 0.295 149 V C -0.757 175.187 176.094 -0.249 0.000 1.025 149 V CA -0.855 61.316 62.300 -0.215 0.000 0.859 149 V CB 1.280 32.958 31.823 -0.242 0.000 0.988 149 V HN 0.458 nan 8.190 nan 0.000 0.431 150 W N 2.863 124.079 121.300 -0.140 0.000 2.739 150 W HA 0.770 5.430 4.660 -0.001 0.000 0.331 150 W C -0.897 175.572 176.519 -0.084 0.000 1.049 150 W CA -0.695 56.626 57.345 -0.040 0.000 1.234 150 W CB 2.251 31.762 29.460 0.085 0.000 1.404 150 W HN 0.319 nan 8.180 nan 0.000 0.477 151 V N 4.301 124.308 119.914 0.155 0.000 2.525 151 V HA 0.253 4.372 4.120 -0.001 0.000 0.299 151 V C -0.172 175.978 176.094 0.093 0.000 1.034 151 V CA -1.282 61.063 62.300 0.074 0.000 0.863 151 V CB 1.511 33.337 31.823 0.005 0.000 0.999 151 V HN 0.729 nan 8.190 nan 0.000 0.423 152 N N 3.670 122.414 118.700 0.073 0.000 2.725 152 N HA -0.216 4.523 4.740 -0.001 0.000 0.249 152 N C 1.121 176.701 175.510 0.116 0.000 1.103 152 N CA 1.779 54.880 53.050 0.085 0.000 0.707 152 N CB -1.109 37.426 38.487 0.080 0.000 1.043 152 N HN 1.653 nan 8.380 nan 0.000 0.553 153 G N -2.828 106.066 108.800 0.158 0.000 2.175 153 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.244 153 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.244 153 G C 0.032 175.155 174.900 0.371 0.000 0.982 153 G CA 0.479 45.697 45.100 0.197 0.000 0.641 153 G HN 0.509 nan 8.290 nan 0.000 0.527 154 T N 1.029 115.776 114.554 0.322 0.000 2.779 154 T HA 0.500 4.849 4.350 -0.001 0.000 0.280 154 T C 0.002 174.665 174.700 -0.062 0.000 0.987 154 T CA -0.511 61.681 62.100 0.153 0.000 0.966 154 T CB 1.974 70.870 68.868 0.048 0.000 0.933 154 T HN 0.295 nan 8.240 nan 0.000 0.442 155 K N 3.358 123.390 120.400 -0.614 0.000 2.338 155 K HA 0.203 4.523 4.320 -0.001 0.000 0.290 155 K C 1.222 177.520 176.600 -0.503 0.000 1.069 155 K CA -0.234 55.374 56.287 -1.132 0.000 0.941 155 K CB 0.395 31.915 32.500 -1.634 0.000 1.023 155 K HN 0.531 nan 8.250 nan 0.000 0.477 156 V N 1.159 120.859 119.914 -0.356 0.000 3.354 156 V HA 0.349 4.468 4.120 -0.001 0.000 0.258 156 V C 0.342 176.344 176.094 -0.153 0.000 1.159 156 V CA 0.551 62.739 62.300 -0.187 0.000 1.125 156 V CB -0.039 31.724 31.823 -0.101 0.000 0.774 156 V HN 0.608 nan 8.190 nan 0.000 0.464 157 A N 0.407 123.107 122.820 -0.200 0.000 2.589 157 A HA 0.733 5.052 4.320 -0.001 0.000 0.296 157 A C -0.219 177.262 177.584 -0.171 0.000 1.062 157 A CA 0.153 52.110 52.037 -0.133 0.000 0.686 157 A CB 1.347 20.319 19.000 -0.045 0.000 1.282 157 A HN 0.658 nan 8.150 nan 0.000 0.404 158 T N -1.449 113.025 114.554 -0.133 0.000 2.950 158 T HA 0.471 4.820 4.350 -0.001 0.000 0.288 158 T C 0.922 175.549 174.700 -0.120 0.000 1.035 158 T CA -0.033 61.994 62.100 -0.122 0.000 1.028 158 T CB 1.367 70.168 68.868 -0.113 0.000 1.109 158 T HN 0.938 nan 8.240 nan 0.000 0.514 159 K N 0.415 120.722 120.400 -0.155 0.000 2.360 159 K HA -0.146 4.174 4.320 -0.001 0.000 0.201 159 K C 0.879 177.350 176.600 -0.215 0.000 1.046 159 K CA 1.546 57.687 56.287 -0.244 0.000 0.940 159 K CB -0.257 31.895 32.500 -0.579 0.000 0.748 159 K HN 0.498 nan 8.250 nan 0.000 0.465 160 D N 0.932 121.230 120.400 -0.169 0.000 2.183 160 D HA -0.145 4.494 4.640 -0.001 0.000 0.203 160 D C 1.944 178.185 176.300 -0.097 0.000 0.969 160 D CA 1.062 54.982 54.000 -0.132 0.000 0.842 160 D CB 0.136 40.872 40.800 -0.105 0.000 0.957 160 D HN 0.537 nan 8.370 nan 0.000 0.484 161 Q N 0.383 120.130 119.800 -0.089 0.000 2.159 161 Q HA -0.006 4.334 4.340 -0.001 0.000 0.194 161 Q C 0.331 176.286 176.000 -0.076 0.000 0.968 161 Q CA 0.420 56.192 55.803 -0.051 0.000 0.837 161 Q CB 0.584 29.297 28.738 -0.042 0.000 0.920 161 Q HN -0.073 nan 8.270 nan 0.000 0.485 162 V N 3.315 123.100 119.914 -0.214 0.000 2.326 162 V HA 0.197 4.317 4.120 -0.001 0.000 0.249 162 V C -0.404 175.597 176.094 -0.154 0.000 1.114 162 V CA -0.157 61.886 62.300 -0.428 0.000 1.028 162 V CB -0.099 31.550 31.823 -0.289 0.000 1.170 162 V HN 0.292 nan 8.190 nan 0.000 0.494 163 N N 3.572 122.249 118.700 -0.038 0.000 2.537 163 N HA 0.526 5.266 4.740 -0.001 0.000 0.281 163 N C -0.534 174.977 175.510 0.002 0.000 1.097 163 N CA 0.575 53.599 53.050 -0.044 0.000 0.964 163 N CB 2.140 40.568 38.487 -0.098 0.000 1.588 163 N HN 0.825 nan 8.380 nan 0.000 0.511 164 G N 1.621 110.401 108.800 -0.032 0.000 3.225 164 G HA2 0.163 4.122 3.960 -0.001 0.000 0.686 164 G HA3 0.163 4.122 3.960 -0.001 0.000 0.686 164 G C 0.681 175.599 174.900 0.029 0.000 1.105 164 G CA -0.055 45.029 45.100 -0.026 0.000 0.831 164 G HN 0.828 nan 8.290 nan 0.000 0.578 165 A N 1.703 124.490 122.820 -0.055 0.000 1.972 165 A HA 0.087 4.406 4.320 -0.001 0.000 0.219 165 A C 1.753 179.206 177.584 -0.218 0.000 1.169 165 A CA 2.396 54.308 52.037 -0.209 0.000 0.635 165 A CB -0.265 18.469 19.000 -0.443 0.000 0.810 165 A HN 1.124 nan 8.150 nan 0.000 0.446 166 Y N 0.464 120.852 120.300 0.148 0.000 2.462 166 Y HA 0.089 4.638 4.550 -0.001 0.000 0.261 166 Y C 1.338 177.291 175.900 0.089 0.000 1.146 166 Y CA 0.387 58.578 58.100 0.151 0.000 1.283 166 Y CB 0.073 38.689 38.460 0.259 0.000 1.090 166 Y HN 0.289 nan 8.280 nan 0.000 0.526 167 T N -0.291 114.369 114.554 0.178 0.000 2.884 167 T HA 0.211 4.561 4.350 -0.001 0.000 0.298 167 T C -0.119 174.452 174.700 -0.215 0.000 0.998 167 T CA -0.850 61.255 62.100 0.008 0.000 1.124 167 T CB 1.540 70.418 68.868 0.016 0.000 0.931 167 T HN 0.190 nan 8.240 nan 0.000 0.531 168 R N 2.209 122.502 120.500 -0.345 0.000 2.349 168 R HA 0.294 4.634 4.340 -0.001 0.000 0.299 168 R C -0.581 175.192 176.300 -0.879 0.000 1.027 168 R CA -0.671 55.166 56.100 -0.439 0.000 0.958 168 R CB 0.485 30.674 30.300 -0.185 0.000 1.047 168 R HN 0.795 nan 8.270 nan 0.000 0.468 169 H N 2.050 120.839 119.070 -0.469 0.000 2.572 169 H HA 0.215 4.771 4.556 -0.001 0.000 0.359 169 H C -1.136 173.980 175.328 -0.354 0.000 1.134 169 H CA -0.803 54.957 56.048 -0.480 0.000 1.187 169 H CB 2.296 31.630 29.762 -0.713 0.000 1.597 169 H HN 0.562 nan 8.280 nan 0.000 0.524 170 D N 3.445 123.826 120.400 -0.031 0.000 2.363 170 D HA 0.211 4.851 4.640 -0.001 0.000 0.258 170 D C -0.955 175.456 176.300 0.184 0.000 1.259 170 D CA -0.390 53.652 54.000 0.070 0.000 0.921 170 D CB 0.098 40.910 40.800 0.020 0.000 1.201 170 D HN 0.355 nan 8.370 nan 0.000 0.524 171 L N 2.044 123.417 121.223 0.251 0.000 2.265 171 L HA 0.383 4.723 4.340 -0.001 0.000 0.289 171 L C 0.330 177.323 176.870 0.206 0.000 1.033 171 L CA -0.939 54.032 54.840 0.218 0.000 0.814 171 L CB 1.350 43.544 42.059 0.225 0.000 1.203 171 L HN 0.224 nan 8.230 nan 0.000 0.423 172 D N 4.773 125.245 120.400 0.119 0.000 2.344 172 D HA 0.133 4.772 4.640 -0.001 0.000 0.253 172 D C 0.657 176.856 176.300 -0.169 0.000 1.255 172 D CA -0.120 53.771 54.000 -0.182 0.000 0.894 172 D CB 0.984 41.728 40.800 -0.093 0.000 1.067 172 D HN 0.545 nan 8.370 nan 0.000 0.492 173 I N 0.604 121.047 120.570 -0.211 0.000 3.914 173 I HA 0.129 4.298 4.170 -0.001 0.000 0.333 173 I C 1.186 177.222 176.117 -0.135 0.000 1.449 173 I CA -0.515 60.714 61.300 -0.117 0.000 1.135 173 I CB 0.227 38.196 38.000 -0.051 0.000 1.073 173 I HN 0.004 nan 8.210 nan 0.000 0.401 174 T N 1.789 116.221 114.554 -0.203 0.000 2.699 174 T HA -0.224 4.126 4.350 -0.001 0.000 0.268 174 T C 2.134 176.788 174.700 -0.078 0.000 1.036 174 T CA 2.112 64.121 62.100 -0.151 0.000 1.147 174 T CB -0.201 68.560 68.868 -0.178 0.000 0.862 174 T HN 0.642 nan 8.240 nan 0.000 0.446 175 A N 0.782 123.563 122.820 -0.065 0.000 2.019 175 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 175 A C 2.200 179.775 177.584 -0.014 0.000 1.164 175 A CA 1.437 53.456 52.037 -0.030 0.000 0.644 175 A CB -0.429 18.555 19.000 -0.026 0.000 0.805 175 A HN 0.448 nan 8.150 nan 0.000 0.449 176 Q N -1.226 118.558 119.800 -0.027 0.000 2.396 176 Q HA 0.246 4.585 4.340 -0.001 0.000 0.209 176 Q C 0.188 176.165 176.000 -0.038 0.000 0.906 176 Q CA 0.159 55.955 55.803 -0.012 0.000 0.927 176 Q CB 0.368 29.095 28.738 -0.018 0.000 1.069 176 Q HN 0.357 nan 8.270 nan 0.000 0.523 177 V N 2.849 122.722 119.914 -0.069 0.000 2.583 177 V HA 0.162 4.281 4.120 -0.001 0.000 0.287 177 V C 0.149 176.208 176.094 -0.058 0.000 1.051 177 V CA -0.315 61.905 62.300 -0.132 0.000 1.010 177 V CB 0.574 32.338 31.823 -0.098 0.000 0.988 177 V HN 0.410 nan 8.190 nan 0.000 0.478 178 H N 1.323 120.398 119.070 0.009 0.000 2.869 178 H HA 0.721 5.276 4.556 -0.001 0.000 0.342 178 H C -0.084 175.252 175.328 0.012 0.000 1.250 178 H CA -0.600 55.454 56.048 0.009 0.000 1.217 178 H CB 1.766 31.534 29.762 0.009 0.000 1.917 178 H HN 0.612 nan 8.280 nan 0.000 0.586 179 T N -0.282 114.420 114.554 0.247 0.000 2.919 179 T HA 0.469 4.818 4.350 -0.001 0.000 0.302 179 T C 1.112 175.945 174.700 0.221 0.000 1.031 179 T CA 0.848 63.043 62.100 0.160 0.000 1.127 179 T CB -0.218 nan 68.868 nan 0.000 0.952 179 T HN 1.095 nan 8.240 nan 0.000 0.540 180 G N 0.953 109.836 108.800 0.138 0.000 2.503 180 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.235 180 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.235 180 G C -0.117 174.855 174.900 0.120 0.000 1.179 180 G CA -0.159 45.013 45.100 0.119 0.000 0.944 180 G HN 1.447 nan 8.290 nan 0.000 0.580 181 V N 3.155 123.153 119.914 0.140 0.000 2.470 181 V HA 0.390 4.510 4.120 -0.001 0.000 0.276 181 V C 0.532 176.713 176.094 0.146 0.000 1.040 181 V CA -0.123 62.246 62.300 0.115 0.000 1.008 181 V CB 0.796 32.672 31.823 0.088 0.000 0.990 181 V HN 0.617 nan 8.190 nan 0.000 0.477 182 N N 2.614 121.313 118.700 -0.001 0.000 2.402 182 N HA 0.647 5.386 4.740 -0.001 0.000 0.294 182 N C -0.926 174.572 175.510 -0.020 0.000 1.203 182 N CA -0.514 52.466 53.050 -0.117 0.000 0.838 182 N CB 2.349 40.707 38.487 -0.215 0.000 1.306 182 N HN 0.620 nan 8.380 nan 0.000 0.510 183 S N 0.187 115.879 115.700 -0.013 0.000 2.546 183 S HA 0.570 5.039 4.470 -0.001 0.000 0.274 183 S C -0.965 173.658 174.600 0.038 0.000 1.121 183 S CA -0.624 57.591 58.200 0.024 0.000 0.887 183 S CB 2.201 65.411 63.200 0.017 0.000 1.094 183 S HN 0.250 nan 8.310 nan 0.000 0.474 184 V N 1.349 121.313 119.914 0.084 0.000 2.760 184 V HA 0.908 5.027 4.120 -0.001 0.000 0.309 184 V C -0.614 175.585 176.094 0.175 0.000 1.077 184 V CA -0.536 61.819 62.300 0.092 0.000 0.910 184 V CB 1.699 33.585 31.823 0.105 0.000 1.008 184 V HN 1.075 nan 8.190 nan 0.000 0.424 185 A N 4.199 127.112 122.820 0.156 0.000 2.422 185 A HA 0.917 5.237 4.320 -0.001 0.000 0.302 185 A C -1.383 176.385 177.584 0.306 0.000 1.041 185 A CA -0.385 51.876 52.037 0.373 0.000 0.708 185 A CB 1.132 20.342 19.000 0.349 0.000 1.257 185 A HN 0.627 nan 8.150 nan 0.000 0.414 186 F N 1.528 121.719 119.950 0.402 0.000 2.427 186 F HA 0.439 4.965 4.527 -0.001 0.000 0.346 186 F C 0.722 176.542 175.800 0.033 0.000 1.120 186 F CA -0.395 57.713 58.000 0.179 0.000 1.033 186 F CB 2.036 41.010 39.000 -0.043 0.000 1.126 186 F HN 0.541 nan 8.300 nan 0.000 0.462 187 K N 4.041 124.297 120.400 -0.241 0.000 2.250 187 K HA 0.407 4.727 4.320 -0.001 0.000 0.285 187 K C -1.115 175.341 176.600 -0.241 0.000 1.097 187 K CA -0.259 55.532 56.287 -0.827 0.000 0.913 187 K CB 0.517 32.264 32.500 -1.255 0.000 1.179 187 K HN 0.487 nan 8.250 nan 0.000 0.462 188 V N 6.109 125.960 119.914 -0.106 0.000 2.406 188 V HA 0.177 4.296 4.120 -0.001 0.000 0.272 188 V C -0.301 175.812 176.094 0.032 0.000 1.043 188 V CA -0.646 61.686 62.300 0.052 0.000 0.915 188 V CB 0.169 32.023 31.823 0.052 0.000 0.988 188 V HN 0.578 nan 8.190 nan 0.000 0.466 189 Y N 5.351 125.645 120.300 -0.010 0.000 2.316 189 Y HA 0.322 4.872 4.550 -0.001 0.000 0.324 189 Y C -1.763 174.158 175.900 0.035 0.000 1.267 189 Y CA -2.314 55.793 58.100 0.011 0.000 1.311 189 Y CB 0.695 39.145 38.460 -0.016 0.000 1.267 189 Y HN 0.464 nan 8.280 nan 0.000 0.516 190 P HA -0.104 nan 4.420 nan 0.000 0.266 190 P C -1.027 176.326 177.300 0.088 0.000 1.193 190 P CA 0.240 63.424 63.100 0.140 0.000 0.770 190 P CB 0.438 32.222 31.700 0.140 0.000 0.836 191 N N 1.838 120.567 118.700 0.049 0.000 2.408 191 N HA 0.263 5.002 4.740 -0.001 0.000 0.280 191 N C -1.462 174.049 175.510 0.001 0.000 1.002 191 N CA -0.340 52.715 53.050 0.008 0.000 0.907 191 N CB 0.456 38.938 38.487 -0.009 0.000 1.161 191 N HN 0.158 nan 8.380 nan 0.000 0.488 192 D N 4.275 124.661 120.400 -0.022 0.000 2.469 192 D HA 0.341 4.980 4.640 -0.001 0.000 0.251 192 D C -1.998 174.267 176.300 -0.058 0.000 1.173 192 D CA -2.167 51.817 54.000 -0.028 0.000 0.882 192 D CB 1.893 42.678 40.800 -0.024 0.000 1.129 192 D HN 0.349 nan 8.370 nan 0.000 0.549 193 P HA -0.083 nan 4.420 nan 0.000 0.222 193 P C 0.441 177.698 177.300 -0.071 0.000 1.147 193 P CA 0.873 63.934 63.100 -0.066 0.000 0.790 193 P CB 0.347 32.012 31.700 -0.059 0.000 0.780 194 N N -0.622 118.044 118.700 -0.056 0.000 2.457 194 N HA -0.034 4.705 4.740 -0.001 0.000 0.180 194 N C 2.022 177.477 175.510 -0.091 0.000 1.050 194 N CA 0.226 53.244 53.050 -0.053 0.000 0.906 194 N CB -0.114 38.356 38.487 -0.028 0.000 0.968 194 N HN 0.113 nan 8.380 nan 0.000 0.445 195 R N 0.240 120.670 120.500 -0.116 0.000 2.257 195 R HA 0.113 4.453 4.340 -0.001 0.000 0.195 195 R C -0.789 175.370 176.300 -0.235 0.000 0.921 195 R CA 0.272 56.282 56.100 -0.150 0.000 1.069 195 R CB 0.651 30.889 30.300 -0.104 0.000 1.115 195 R HN 0.060 nan 8.270 nan 0.000 0.571 196 D N 1.381 121.643 120.400 -0.230 0.000 2.163 196 D HA 0.176 4.816 4.640 -0.001 0.000 0.248 196 D C -0.530 175.527 176.300 -0.406 0.000 1.035 196 D CA -0.383 53.447 54.000 -0.283 0.000 0.872 196 D CB 2.175 42.867 40.800 -0.179 0.000 1.183 196 D HN 0.097 nan 8.370 nan 0.000 0.445 197 L N 2.096 122.972 121.223 -0.578 0.000 2.448 197 L HA 0.118 4.458 4.340 -0.001 0.000 0.278 197 L C 0.873 177.563 176.870 -0.300 0.000 1.201 197 L CA 0.345 54.631 54.840 -0.924 0.000 1.036 197 L CB -0.152 41.163 42.059 -1.239 0.000 1.325 197 L HN 0.234 nan 8.230 nan 0.000 0.441 198 S N 2.187 117.890 115.700 0.006 0.000 3.952 198 S HA 0.690 5.159 4.470 -0.001 0.000 0.293 198 S C -0.809 173.897 174.600 0.176 0.000 1.090 198 S CA -0.642 57.602 58.200 0.074 0.000 1.264 198 S CB 1.079 64.234 63.200 -0.075 0.000 1.393 198 S HN 0.378 nan 8.310 nan 0.000 0.757 199 M N 1.026 120.574 119.600 -0.087 0.000 2.465 199 M HA 0.678 5.158 4.480 -0.001 0.000 0.316 199 M C -0.096 176.010 176.300 -0.324 0.000 1.121 199 M CA -0.666 54.449 55.300 -0.309 0.000 0.934 199 M CB 1.979 34.309 32.600 -0.450 0.000 1.692 199 M HN 0.708 nan 8.290 nan 0.000 0.444 200 G N 0.463 108.980 108.800 -0.471 0.000 2.725 200 G HA2 0.589 4.548 3.960 -0.001 0.000 0.288 200 G HA3 0.589 4.548 3.960 -0.001 0.000 0.288 200 G C -1.601 172.959 174.900 -0.567 0.000 1.399 200 G CA -0.554 44.321 45.100 -0.376 0.000 0.859 200 G HN 0.960 nan 8.290 nan 0.000 0.479 201 W N 0.143 121.370 121.300 -0.122 0.000 3.127 201 W HA 0.395 5.055 4.660 -0.001 0.000 0.344 201 W C 1.421 177.690 176.519 -0.416 0.000 1.151 201 W CA -0.202 56.981 57.345 -0.271 0.000 1.765 201 W CB -0.310 29.028 29.460 -0.203 0.000 1.085 201 W HN 0.552 nan 8.180 nan 0.000 0.596 202 I N 0.713 121.188 120.570 -0.158 0.000 4.908 202 I HA -0.509 3.660 4.170 -0.001 0.000 0.038 202 I C 1.457 177.623 176.117 0.081 0.000 0.635 202 I CA 2.044 63.282 61.300 -0.102 0.000 0.203 202 I CB -0.850 36.996 38.000 -0.256 0.000 0.319 202 I HN 0.047 nan 8.210 nan 0.000 0.150 203 D N -0.634 119.923 120.400 0.262 0.000 2.440 203 D HA 0.042 4.682 4.640 -0.001 0.000 0.216 203 D C 1.135 177.805 176.300 0.617 0.000 1.150 203 D CA -0.027 54.239 54.000 0.442 0.000 0.832 203 D CB -0.260 40.898 40.800 0.596 0.000 0.992 203 D HN 0.568 nan 8.370 nan 0.000 0.502 204 W N 1.797 123.316 121.300 0.366 0.000 2.436 204 W HA 0.459 5.119 4.660 -0.001 0.000 0.284 204 W C 1.225 177.836 176.519 0.153 0.000 1.225 204 W CA 0.419 57.975 57.345 0.352 0.000 1.271 204 W CB -0.569 29.071 29.460 0.300 0.000 1.114 204 W HN 0.220 nan 8.180 nan 0.000 0.559 205 A N -1.337 121.576 122.820 0.154 0.000 4.729 205 A HA 0.556 4.875 4.320 -0.001 0.000 0.170 205 A C -0.706 176.607 177.584 -0.451 0.000 0.741 205 A CA -0.487 51.392 52.037 -0.263 0.000 0.936 205 A CB 0.484 18.982 19.000 -0.836 0.000 1.982 205 A HN -0.167 nan 8.150 nan 0.000 0.938 206 Q N 0.543 119.768 119.800 -0.958 0.000 2.387 206 Q HA 0.494 4.833 4.340 -0.001 0.000 0.273 206 Q C -1.214 174.437 176.000 -0.581 0.000 1.089 206 Q CA -0.480 54.896 55.803 -0.711 0.000 0.824 206 Q CB 1.666 29.850 28.738 -0.923 0.000 1.367 206 Q HN 0.667 nan 8.270 nan 0.000 0.443 207 T N 3.952 118.335 114.554 -0.286 0.000 2.817 207 T HA 0.181 4.530 4.350 -0.001 0.000 0.295 207 T C -2.206 172.390 174.700 -0.174 0.000 0.958 207 T CA -0.821 61.181 62.100 -0.163 0.000 1.157 207 T CB -0.077 68.758 68.868 -0.054 0.000 0.898 207 T HN 0.243 nan 8.240 nan 0.000 0.536 208 P HA 0.120 nan 4.420 nan 0.000 0.265 208 P C -2.018 175.168 177.300 -0.191 0.000 1.193 208 P CA -1.479 61.588 63.100 -0.055 0.000 0.765 208 P CB 0.186 31.951 31.700 0.108 0.000 0.823 209 P HA -0.161 nan 4.420 nan 0.000 0.218 209 P C 0.867 177.961 177.300 -0.343 0.000 1.149 209 P CA 1.509 64.392 63.100 -0.361 0.000 0.817 209 P CB -0.097 31.288 31.700 -0.525 0.000 0.785 210 D N -1.192 118.736 120.400 -0.786 0.000 2.340 210 D HA -0.058 4.581 4.640 -0.001 0.000 0.220 210 D C 0.720 176.851 176.300 -0.283 0.000 1.039 210 D CA -0.010 53.471 54.000 -0.865 0.000 0.866 210 D CB -0.835 39.156 40.800 -1.348 0.000 0.913 210 D HN 0.053 nan 8.370 nan 0.000 0.523 211 Q N 0.181 119.894 119.800 -0.145 0.000 2.457 211 Q HA -0.267 4.072 4.340 -0.001 0.000 0.283 211 Q C -0.584 175.430 176.000 0.024 0.000 1.234 211 Q CA 0.814 56.612 55.803 -0.008 0.000 0.877 211 Q CB -1.646 27.094 28.738 0.004 0.000 1.250 211 Q HN 0.342 nan 8.270 nan 0.000 0.481 212 N N -1.833 116.885 118.700 0.030 0.000 2.741 212 N HA -0.232 4.507 4.740 -0.001 0.000 0.251 212 N C 0.168 175.680 175.510 0.003 0.000 1.112 212 N CA 1.709 54.803 53.050 0.074 0.000 0.750 212 N CB -1.841 36.755 38.487 0.181 0.000 1.119 212 N HN 0.753 nan 8.380 nan 0.000 0.561 213 M N -1.023 118.546 119.600 -0.052 0.000 2.249 213 M HA 0.428 4.908 4.480 -0.001 0.000 0.340 213 M C 0.961 177.246 176.300 -0.025 0.000 1.166 213 M CA 1.096 56.376 55.300 -0.034 0.000 1.115 213 M CB 0.889 33.486 32.600 -0.005 0.000 1.606 213 M HN 0.221 nan 8.290 nan 0.000 0.448 214 G N 2.957 111.715 108.800 -0.070 0.000 2.320 214 G HA2 0.245 4.205 3.960 -0.001 0.000 0.274 214 G HA3 0.245 4.205 3.960 -0.001 0.000 0.274 214 G C -1.659 172.986 174.900 -0.426 0.000 1.324 214 G CA -1.030 43.942 45.100 -0.213 0.000 0.957 214 G HN 0.873 nan 8.290 nan 0.000 0.481 215 I N 1.585 121.770 120.570 -0.643 0.000 2.382 215 I HA 0.391 4.560 4.170 -0.001 0.000 0.285 215 I C 1.170 177.153 176.117 -0.224 0.000 1.007 215 I CA -0.810 60.183 61.300 -0.512 0.000 1.142 215 I CB 1.798 39.292 38.000 -0.843 0.000 1.289 215 I HN 0.669 nan 8.210 nan 0.000 0.453 216 V N 2.615 122.463 119.914 -0.111 0.000 3.483 216 V HA 0.428 4.547 4.120 -0.001 0.000 0.301 216 V C 0.690 176.783 176.094 -0.002 0.000 1.389 216 V CA 0.193 62.489 62.300 -0.007 0.000 1.101 216 V CB -0.579 31.262 31.823 0.029 0.000 0.971 216 V HN 0.699 nan 8.190 nan 0.000 0.434 217 R N -0.297 120.187 120.500 -0.026 0.000 2.922 217 R HA 0.531 4.871 4.340 -0.001 0.000 0.256 217 R C -1.131 175.180 176.300 0.019 0.000 1.138 217 R CA -0.990 55.096 56.100 -0.023 0.000 0.995 217 R CB 0.685 30.982 30.300 -0.006 0.000 1.226 217 R HN 0.164 nan 8.270 nan 0.000 0.481 218 D N 0.728 121.151 120.400 0.038 0.000 2.372 218 D HA 0.137 4.776 4.640 -0.001 0.000 0.243 218 D C -0.556 175.834 176.300 0.150 0.000 1.121 218 D CA 0.071 54.129 54.000 0.098 0.000 0.898 218 D CB 1.250 42.103 40.800 0.089 0.000 1.202 218 D HN 0.005 nan 8.370 nan 0.000 0.428 219 V N 3.300 123.322 119.914 0.181 0.000 2.350 219 V HA 0.210 4.329 4.120 -0.001 0.000 0.276 219 V C 0.329 176.572 176.094 0.249 0.000 1.028 219 V CA -0.629 61.820 62.300 0.249 0.000 0.860 219 V CB 0.780 32.719 31.823 0.194 0.000 0.990 219 V HN 0.270 nan 8.190 nan 0.000 0.453 220 L N 5.664 127.047 121.223 0.268 0.000 2.276 220 L HA 0.449 4.789 4.340 -0.001 0.000 0.286 220 L C -0.171 176.840 176.870 0.235 0.000 1.061 220 L CA -0.595 54.371 54.840 0.210 0.000 0.807 220 L CB 1.496 43.657 42.059 0.171 0.000 1.177 220 L HN 0.346 nan 8.230 nan 0.000 0.429 221 V N 4.585 124.614 119.914 0.192 0.000 2.408 221 V HA 0.299 4.419 4.120 -0.001 0.000 0.267 221 V C 0.393 176.592 176.094 0.174 0.000 1.047 221 V CA -0.413 61.999 62.300 0.186 0.000 0.937 221 V CB 0.513 32.423 31.823 0.145 0.000 0.999 221 V HN 0.699 nan 8.190 nan 0.000 0.472 222 R N 4.857 125.489 120.500 0.219 0.000 2.532 222 R HA 0.737 5.077 4.340 -0.001 0.000 0.295 222 R C -0.711 175.751 176.300 0.269 0.000 0.968 222 R CA -0.958 55.268 56.100 0.210 0.000 0.916 222 R CB 1.840 32.243 30.300 0.173 0.000 1.124 222 R HN 0.511 nan 8.270 nan 0.000 0.463 223 R N 0.908 121.527 120.500 0.199 0.000 2.628 223 R HA 0.518 4.857 4.340 -0.001 0.000 0.288 223 R C -0.939 175.460 176.300 0.166 0.000 0.980 223 R CA -0.716 55.498 56.100 0.190 0.000 0.891 223 R CB 2.088 32.461 30.300 0.121 0.000 1.188 223 R HN 0.969 nan 8.270 nan 0.000 0.450 224 S N -1.104 114.712 115.700 0.193 0.000 2.611 224 S HA 0.643 5.112 4.470 -0.001 0.000 0.268 224 S C 0.135 174.820 174.600 0.141 0.000 1.156 224 S CA -0.562 57.722 58.200 0.140 0.000 0.817 224 S CB 1.610 64.869 63.200 0.098 0.000 1.122 224 S HN 0.587 nan 8.310 nan 0.000 0.466 225 G N 0.554 109.414 108.800 0.100 0.000 2.803 225 G HA2 0.498 4.457 3.960 -0.001 0.000 0.177 225 G HA3 0.498 4.457 3.960 -0.001 0.000 0.177 225 G C 1.274 176.235 174.900 0.103 0.000 1.629 225 G CA -0.061 45.091 45.100 0.087 0.000 1.077 225 G HN 1.373 nan 8.290 nan 0.000 0.556 226 A N -1.599 121.267 122.820 0.077 0.000 1.972 226 A HA 0.269 4.588 4.320 -0.001 0.000 0.219 226 A C 0.962 178.593 177.584 0.078 0.000 1.169 226 A CA 1.127 53.209 52.037 0.074 0.000 0.635 226 A CB -0.402 18.628 19.000 0.051 0.000 0.810 226 A HN 0.401 nan 8.150 nan 0.000 0.446 227 V N -0.113 119.838 119.914 0.062 0.000 2.459 227 V HA 0.610 4.730 4.120 -0.001 0.000 0.295 227 V C 0.193 176.300 176.094 0.021 0.000 1.029 227 V CA -0.463 61.862 62.300 0.041 0.000 0.874 227 V CB 1.138 32.978 31.823 0.029 0.000 0.985 227 V HN 0.471 nan 8.190 nan 0.000 0.438 228 A N 5.035 127.844 122.820 -0.018 0.000 2.292 228 A HA 0.790 5.110 4.320 -0.001 0.000 0.319 228 A C -0.861 176.685 177.584 -0.064 0.000 1.206 228 A CA -0.437 51.536 52.037 -0.107 0.000 0.835 228 A CB 0.908 19.739 19.000 -0.281 0.000 1.164 228 A HN 0.769 nan 8.150 nan 0.000 0.505 229 L N 2.266 123.459 121.223 -0.051 0.000 2.307 229 L HA 0.831 5.171 4.340 -0.001 0.000 0.282 229 L C -0.030 176.826 176.870 -0.024 0.000 1.051 229 L CA 0.014 54.847 54.840 -0.012 0.000 0.804 229 L CB 1.127 43.194 42.059 0.013 0.000 1.197 229 L HN 0.805 nan 8.230 nan 0.000 0.431 230 R N 2.150 122.652 120.500 0.002 0.000 2.668 230 R HA 0.476 4.815 4.340 -0.001 0.000 0.272 230 R C -0.170 176.156 176.300 0.043 0.000 1.019 230 R CA 0.163 56.265 56.100 0.003 0.000 0.894 230 R CB 1.811 32.100 30.300 -0.018 0.000 1.228 230 R HN 0.664 nan 8.270 nan 0.000 0.460 231 S N 0.872 116.596 115.700 0.039 0.000 3.698 231 S HA -0.189 4.281 4.470 -0.001 0.000 0.338 231 S C -0.473 174.218 174.600 0.152 0.000 1.089 231 S CA 0.529 58.760 58.200 0.052 0.000 0.991 231 S CB -1.038 62.202 63.200 0.067 0.000 0.909 231 S HN 0.824 nan 8.310 nan 0.000 0.485 232 A N 2.543 125.435 122.820 0.121 0.000 2.450 232 A HA 0.579 4.898 4.320 -0.001 0.000 0.255 232 A C 0.259 177.941 177.584 0.163 0.000 1.096 232 A CA 0.557 52.672 52.037 0.130 0.000 0.778 232 A CB 0.176 19.209 19.000 0.055 0.000 1.031 232 A HN 1.036 nan 8.150 nan 0.000 0.494 233 H N -0.745 118.281 119.070 -0.073 0.000 2.990 233 H HA 0.660 5.216 4.556 -0.001 0.000 0.336 233 H C -2.014 173.190 175.328 -0.207 0.000 1.306 233 H CA -1.310 54.661 56.048 -0.129 0.000 1.118 233 H CB 0.813 30.504 29.762 -0.118 0.000 1.856 233 H HN 0.406 nan 8.280 nan 0.000 0.538 234 V N 2.208 121.932 119.914 -0.317 0.000 2.407 234 V HA 0.286 4.405 4.120 -0.001 0.000 0.291 234 V C 0.510 176.375 176.094 -0.381 0.000 1.018 234 V CA -0.640 61.331 62.300 -0.547 0.000 0.842 234 V CB 1.205 32.338 31.823 -1.150 0.000 0.996 234 V HN 0.562 nan 8.190 nan 0.000 0.426 235 I N 5.570 125.956 120.570 -0.307 0.000 2.452 235 I HA 0.310 4.480 4.170 -0.001 0.000 0.287 235 I C 0.131 176.118 176.117 -0.217 0.000 1.079 235 I CA 0.071 61.256 61.300 -0.192 0.000 1.387 235 I CB 1.114 39.039 38.000 -0.125 0.000 1.404 235 I HN 0.801 nan 8.210 nan 0.000 0.522 236 Q N 6.178 125.876 119.800 -0.170 0.000 2.340 236 Q HA 0.673 5.012 4.340 -0.001 0.000 0.268 236 Q C -0.945 175.000 176.000 -0.092 0.000 1.031 236 Q CA -1.082 54.638 55.803 -0.139 0.000 0.804 236 Q CB 2.144 30.833 28.738 -0.082 0.000 1.286 236 Q HN 0.345 nan 8.270 nan 0.000 0.448 237 K N 2.319 122.667 120.400 -0.087 0.000 2.471 237 K HA 0.596 4.915 4.320 -0.001 0.000 0.252 237 K C -1.893 174.673 176.600 -0.056 0.000 0.938 237 K CA -0.753 55.497 56.287 -0.061 0.000 0.796 237 K CB 1.389 33.860 32.500 -0.048 0.000 1.161 237 K HN 0.682 nan 8.250 nan 0.000 0.425 238 L N 4.461 125.662 121.223 -0.036 0.000 2.325 238 L HA 0.511 4.850 4.340 -0.001 0.000 0.278 238 L C -0.535 176.341 176.870 0.011 0.000 1.023 238 L CA -0.303 54.523 54.840 -0.022 0.000 0.811 238 L CB 1.141 43.186 42.059 -0.023 0.000 1.249 238 L HN 0.945 nan 8.230 nan 0.000 0.431 239 N N 1.299 120.027 118.700 0.046 0.000 2.326 239 N HA -0.026 4.714 4.740 -0.001 0.000 0.239 239 N C 0.863 176.404 175.510 0.052 0.000 1.301 239 N CA 0.454 53.542 53.050 0.063 0.000 0.909 239 N CB 0.198 38.745 38.487 0.100 0.000 1.156 239 N HN 0.632 nan 8.380 nan 0.000 0.462 240 S N -0.818 114.911 115.700 0.049 0.000 2.423 240 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 240 S C 1.701 176.342 174.600 0.068 0.000 1.014 240 S CA 0.656 58.887 58.200 0.051 0.000 0.965 240 S CB -0.744 62.483 63.200 0.045 0.000 0.785 240 S HN 0.777 nan 8.310 nan 0.000 0.495 241 A N 1.331 124.193 122.820 0.071 0.000 2.119 241 A HA 0.397 4.716 4.320 -0.001 0.000 0.217 241 A C 1.494 179.140 177.584 0.102 0.000 1.153 241 A CA 0.929 53.015 52.037 0.082 0.000 0.692 241 A CB -0.774 18.269 19.000 0.072 0.000 0.799 241 A HN 0.924 nan 8.150 nan 0.000 0.458 242 L N -1.610 119.669 121.223 0.094 0.000 4.560 242 L HA -0.227 4.112 4.340 -0.001 0.000 0.415 242 L C 0.428 177.364 176.870 0.110 0.000 1.123 242 L CA 0.691 55.589 54.840 0.096 0.000 0.991 242 L CB -1.987 40.153 42.059 0.135 0.000 2.127 242 L HN 0.687 nan 8.230 nan 0.000 0.765 243 D N -1.338 119.130 120.400 0.113 0.000 2.431 243 D HA 0.175 4.814 4.640 -0.001 0.000 0.213 243 D C 0.361 176.761 176.300 0.166 0.000 1.130 243 D CA 0.205 54.278 54.000 0.121 0.000 0.834 243 D CB 0.163 41.026 40.800 0.105 0.000 0.985 243 D HN 0.598 nan 8.370 nan 0.000 0.504 244 H N -0.254 118.836 119.070 0.034 0.000 3.087 244 H HA 0.630 5.186 4.556 -0.001 0.000 0.348 244 H C -1.846 173.488 175.328 0.010 0.000 1.092 244 H CA -0.475 55.584 56.048 0.019 0.000 1.285 244 H CB 1.680 31.451 29.762 0.014 0.000 1.875 244 H HN 0.084 nan 8.280 nan 0.000 0.512 245 A N 3.959 126.419 122.820 -0.599 0.000 2.374 245 A HA 0.525 4.844 4.320 -0.001 0.000 0.317 245 A C -1.112 176.153 177.584 -0.531 0.000 1.094 245 A CA -0.807 50.992 52.037 -0.397 0.000 0.765 245 A CB 1.328 20.210 19.000 -0.196 0.000 1.268 245 A HN 0.749 nan 8.150 nan 0.000 0.438 246 D N 1.534 121.771 120.400 -0.271 0.000 2.278 246 D HA 0.517 5.157 4.640 -0.001 0.000 0.245 246 D C -0.974 175.234 176.300 -0.154 0.000 1.052 246 D CA 0.117 54.013 54.000 -0.174 0.000 0.834 246 D CB 1.674 42.436 40.800 -0.064 0.000 1.194 246 D HN 0.426 nan 8.370 nan 0.000 0.481 247 L N 1.794 122.921 121.223 -0.159 0.000 2.305 247 L HA 0.370 4.709 4.340 -0.001 0.000 0.284 247 L C 0.148 176.910 176.870 -0.180 0.000 1.013 247 L CA -0.587 54.128 54.840 -0.208 0.000 0.819 247 L CB 1.747 43.656 42.059 -0.251 0.000 1.227 247 L HN 0.088 nan 8.230 nan 0.000 0.417 248 T N 2.647 117.083 114.554 -0.196 0.000 2.770 248 T HA 0.372 4.722 4.350 -0.001 0.000 0.297 248 T C 0.110 174.670 174.700 -0.234 0.000 0.997 248 T CA -0.387 61.619 62.100 -0.156 0.000 0.949 248 T CB 1.409 70.209 68.868 -0.112 0.000 0.941 248 T HN 0.177 nan 8.240 nan 0.000 0.457 249 V N 4.981 124.780 119.914 -0.192 0.000 2.530 249 V HA 0.375 4.495 4.120 -0.001 0.000 0.282 249 V C 0.300 176.369 176.094 -0.043 0.000 1.048 249 V CA -0.371 61.787 62.300 -0.237 0.000 0.997 249 V CB 0.813 32.377 31.823 -0.431 0.000 0.987 249 V HN 0.721 nan 8.190 nan 0.000 0.477 250 K N 3.041 123.297 120.400 -0.240 0.000 2.371 250 K HA 0.881 5.201 4.320 -0.001 0.000 0.251 250 K C -0.862 175.732 176.600 -0.010 0.000 0.934 250 K CA -0.574 55.634 56.287 -0.133 0.000 0.798 250 K CB 2.498 34.817 32.500 -0.302 0.000 1.204 250 K HN 0.809 nan 8.250 nan 0.000 0.427 251 A N 2.149 125.042 122.820 0.121 0.000 2.517 251 A HA 0.420 4.739 4.320 -0.001 0.000 0.297 251 A C -1.722 175.921 177.584 0.098 0.000 1.050 251 A CA -0.915 51.205 52.037 0.139 0.000 0.694 251 A CB 1.116 20.227 19.000 0.185 0.000 1.277 251 A HN 0.631 nan 8.150 nan 0.000 0.400 252 D N 1.439 121.894 120.400 0.091 0.000 2.264 252 D HA 0.462 5.102 4.640 -0.001 0.000 0.250 252 D C 0.159 176.479 176.300 0.034 0.000 1.113 252 D CA 0.237 54.271 54.000 0.056 0.000 0.871 252 D CB 1.681 42.516 40.800 0.058 0.000 1.167 252 D HN 0.617 nan 8.370 nan 0.000 0.447 253 V N 0.405 120.329 119.914 0.017 0.000 2.555 253 V HA 0.639 4.759 4.120 -0.001 0.000 0.302 253 V C -0.171 175.925 176.094 0.004 0.000 1.038 253 V CA -1.038 61.267 62.300 0.008 0.000 0.887 253 V CB 1.955 33.782 31.823 0.006 0.000 0.991 253 V HN 0.416 nan 8.190 nan 0.000 0.434 254 R N 3.115 123.615 120.500 0.001 0.000 2.476 254 R HA 0.428 4.767 4.340 -0.001 0.000 0.305 254 R C -0.766 175.549 176.300 0.025 0.000 0.965 254 R CA -0.527 55.578 56.100 0.009 0.000 0.867 254 R CB 1.266 31.569 30.300 0.005 0.000 1.176 254 R HN 0.908 nan 8.270 nan 0.000 0.447 255 N N 2.979 121.697 118.700 0.029 0.000 2.415 255 N HA 0.036 4.775 4.740 -0.001 0.000 0.246 255 N C -0.636 174.907 175.510 0.055 0.000 1.078 255 N CA 0.016 53.090 53.050 0.039 0.000 0.942 255 N CB 1.080 39.583 38.487 0.026 0.000 1.140 255 N HN 0.549 nan 8.380 nan 0.000 0.501 256 D N 0.196 120.647 120.400 0.085 0.000 2.369 256 D HA -0.015 4.624 4.640 -0.001 0.000 0.211 256 D C 0.532 176.876 176.300 0.073 0.000 1.077 256 D CA 0.196 54.258 54.000 0.103 0.000 0.842 256 D CB 0.202 41.119 40.800 0.195 0.000 0.947 256 D HN 0.600 nan 8.370 nan 0.000 0.509 257 S N -0.175 115.561 115.700 0.060 0.000 2.634 257 S HA 0.389 4.858 4.470 -0.001 0.000 0.261 257 S C 1.415 176.034 174.600 0.030 0.000 1.271 257 S CA -0.060 58.166 58.200 0.043 0.000 0.985 257 S CB 1.825 65.049 63.200 0.040 0.000 0.968 257 S HN 0.009 nan 8.310 nan 0.000 0.568 258 A N 0.958 123.792 122.820 0.024 0.000 2.119 258 A HA 0.219 4.538 4.320 -0.001 0.000 0.216 258 A C 0.556 178.149 177.584 0.016 0.000 1.152 258 A CA 0.301 52.349 52.037 0.017 0.000 0.708 258 A CB -0.925 18.084 19.000 0.014 0.000 0.805 258 A HN 0.856 nan 8.150 nan 0.000 0.460 259 N N -1.310 117.400 118.700 0.017 0.000 2.272 259 N HA 0.570 5.310 4.740 -0.001 0.000 0.305 259 N C -0.461 175.058 175.510 0.015 0.000 1.103 259 N CA -0.115 52.944 53.050 0.014 0.000 0.791 259 N CB 1.568 40.063 38.487 0.014 0.000 1.356 259 N HN 0.236 nan 8.380 nan 0.000 0.486 260 A N 0.777 123.603 122.820 0.011 0.000 2.531 260 A HA 0.394 4.713 4.320 -0.001 0.000 0.236 260 A C 0.186 177.776 177.584 0.010 0.000 1.062 260 A CA -0.048 51.995 52.037 0.009 0.000 0.760 260 A CB -0.319 18.684 19.000 0.005 0.000 0.995 260 A HN 0.533 nan 8.150 nan 0.000 0.501 261 V N 0.187 120.107 119.914 0.009 0.000 3.102 261 V HA 0.639 4.758 4.120 -0.001 0.000 0.312 261 V C -0.563 175.534 176.094 0.005 0.000 1.135 261 V CA -0.942 61.364 62.300 0.010 0.000 1.022 261 V CB 1.776 33.608 31.823 0.016 0.000 1.056 261 V HN 0.866 nan 8.190 nan 0.000 0.436 262 Q N 1.002 120.805 119.800 0.005 0.000 2.271 262 Q HA 0.565 4.904 4.340 -0.001 0.000 0.258 262 Q C -0.842 175.161 176.000 0.004 0.000 0.936 262 Q CA -0.249 55.555 55.803 0.001 0.000 0.909 262 Q CB 1.978 30.716 28.738 0.000 0.000 1.253 262 Q HN 0.975 nan 8.270 nan 0.000 0.440 263 T N 1.335 115.889 114.554 -0.000 0.000 2.863 263 T HA 0.432 4.781 4.350 -0.001 0.000 0.285 263 T C -0.799 173.901 174.700 0.001 0.000 1.009 263 T CA -0.295 61.809 62.100 0.006 0.000 0.989 263 T CB 1.272 70.145 68.868 0.009 0.000 1.004 263 T HN 0.397 nan 8.240 nan 0.000 0.455 264 T N 3.830 118.393 114.554 0.015 0.000 2.758 264 T HA 0.512 4.861 4.350 -0.001 0.000 0.285 264 T C -0.436 174.294 174.700 0.051 0.000 0.981 264 T CA -0.453 61.661 62.100 0.022 0.000 0.965 264 T CB 0.869 69.755 68.868 0.029 0.000 0.927 264 T HN 0.466 nan 8.240 nan 0.000 0.448 265 V N 3.026 122.983 119.914 0.071 0.000 2.350 265 V HA 0.831 4.950 4.120 -0.001 0.000 0.276 265 V C 0.182 176.449 176.094 0.289 0.000 1.028 265 V CA -0.660 61.739 62.300 0.166 0.000 0.860 265 V CB 0.553 32.494 31.823 0.198 0.000 0.990 265 V HN 1.081 nan 8.190 nan 0.000 0.453 266 A N 3.450 126.386 122.820 0.193 0.000 2.587 266 A HA 1.056 5.376 4.320 -0.001 0.000 0.293 266 A C 0.097 177.715 177.584 0.057 0.000 1.087 266 A CA 0.071 52.196 52.037 0.147 0.000 0.692 266 A CB 2.094 21.157 19.000 0.106 0.000 1.291 266 A HN 1.574 nan 8.150 nan 0.000 0.407 267 G N -0.582 108.223 108.800 0.009 0.000 2.553 267 G HA2 0.604 4.564 3.960 -0.001 0.000 0.106 267 G HA3 0.604 4.564 3.960 -0.001 0.000 0.106 267 G C -0.367 174.506 174.900 -0.045 0.000 1.126 267 G CA 0.884 45.976 45.100 -0.014 0.000 1.075 267 G HN 2.197 nan 8.290 nan 0.000 0.472 268 T N -2.492 112.029 114.554 -0.054 0.000 2.912 268 T HA 0.690 5.039 4.350 -0.001 0.000 0.299 268 T C -1.398 173.273 174.700 -0.048 0.000 1.052 268 T CA -0.355 61.720 62.100 -0.042 0.000 0.996 268 T CB 1.980 70.851 68.868 0.005 0.000 1.070 268 T HN 1.708 nan 8.240 nan 0.000 0.465 269 V N 3.088 122.972 119.914 -0.049 0.000 2.407 269 V HA 0.641 4.761 4.120 -0.001 0.000 0.291 269 V C 0.675 176.819 176.094 0.084 0.000 1.018 269 V CA 0.374 62.683 62.300 0.016 0.000 0.842 269 V CB 0.179 31.933 31.823 -0.116 0.000 0.996 269 V HN 2.153 nan 8.190 nan 0.000 0.426 270 A N 4.870 127.803 122.820 0.188 0.000 2.822 270 A HA 0.018 4.337 4.320 -0.001 0.000 0.287 270 A C 1.809 179.481 177.584 0.147 0.000 1.479 270 A CA 1.498 53.646 52.037 0.185 0.000 0.779 270 A CB -1.813 17.117 19.000 -0.118 0.000 1.022 270 A HN 2.832 nan 8.150 nan 0.000 0.532 271 G N -2.206 106.665 108.800 0.117 0.000 2.179 271 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.260 271 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.260 271 G C 0.015 174.943 174.900 0.046 0.000 0.977 271 G CA 1.071 46.220 45.100 0.082 0.000 0.641 271 G HN 1.261 nan 8.290 nan 0.000 0.533 272 K N 1.666 122.082 120.400 0.026 0.000 2.274 272 K HA 0.515 4.834 4.320 -0.001 0.000 0.262 272 K C -2.464 174.129 176.600 -0.011 0.000 0.961 272 K CA -2.033 54.257 56.287 0.006 0.000 0.833 272 K CB 2.575 35.071 32.500 -0.006 0.000 1.102 272 K HN 0.057 nan 8.250 nan 0.000 0.436 273 P HA 0.161 nan 4.420 nan 0.000 0.275 273 P C -0.692 176.603 177.300 -0.008 0.000 1.227 273 P CA -0.181 62.918 63.100 -0.002 0.000 0.781 273 P CB 0.516 32.225 31.700 0.016 0.000 0.906 274 I N -1.818 118.739 120.570 -0.020 0.000 2.894 274 I HA 0.773 4.942 4.170 -0.001 0.000 0.302 274 I C -0.895 175.311 176.117 0.148 0.000 1.188 274 I CA -0.982 60.328 61.300 0.016 0.000 1.014 274 I CB 2.523 40.396 38.000 -0.212 0.000 1.242 274 I HN 0.236 nan 8.210 nan 0.000 0.430 275 S N 2.640 118.533 115.700 0.321 0.000 2.562 275 S HA 0.511 4.981 4.470 -0.001 0.000 0.274 275 S C -1.657 173.063 174.600 0.200 0.000 1.160 275 S CA -0.509 57.870 58.200 0.297 0.000 0.933 275 S CB 1.654 64.934 63.200 0.134 0.000 1.100 275 S HN 0.698 nan 8.310 nan 0.000 0.468 276 Q N 2.101 121.930 119.800 0.048 0.000 2.359 276 Q HA 0.469 4.808 4.340 -0.001 0.000 0.274 276 Q C -1.268 174.670 176.000 -0.104 0.000 1.074 276 Q CA -0.676 55.025 55.803 -0.171 0.000 0.810 276 Q CB 2.275 30.693 28.738 -0.534 0.000 1.342 276 Q HN 0.679 nan 8.270 nan 0.000 0.427 277 T N 1.341 115.845 114.554 -0.082 0.000 2.779 277 T HA 0.624 4.974 4.350 -0.001 0.000 0.280 277 T C 0.033 174.692 174.700 -0.068 0.000 0.987 277 T CA -0.573 61.495 62.100 -0.054 0.000 0.966 277 T CB 1.128 69.980 68.868 -0.027 0.000 0.933 277 T HN 0.440 nan 8.240 nan 0.000 0.442 278 V N 0.339 120.218 119.914 -0.058 0.000 3.040 278 V HA 0.831 4.950 4.120 -0.001 0.000 0.312 278 V C -0.185 175.891 176.094 -0.031 0.000 1.115 278 V CA -0.955 61.312 62.300 -0.054 0.000 0.998 278 V CB 2.152 33.934 31.823 -0.069 0.000 1.042 278 V HN 0.733 nan 8.190 nan 0.000 0.433 279 S N 2.637 118.321 115.700 -0.027 0.000 2.554 279 S HA 0.803 5.273 4.470 -0.001 0.000 0.278 279 S C -0.515 174.077 174.600 -0.014 0.000 1.242 279 S CA -0.475 57.715 58.200 -0.017 0.000 1.051 279 S CB 0.659 63.850 63.200 -0.015 0.000 0.986 279 S HN 0.651 nan 8.310 nan 0.000 0.502 280 L N 2.433 123.652 121.223 -0.007 0.000 2.439 280 L HA 0.549 4.888 4.340 -0.001 0.000 0.270 280 L C 0.243 177.114 176.870 0.001 0.000 0.972 280 L CA -0.820 54.018 54.840 -0.003 0.000 0.836 280 L CB 1.599 43.658 42.059 0.001 0.000 1.255 280 L HN 0.728 nan 8.230 nan 0.000 0.404 281 A N 2.479 125.299 122.820 0.001 0.000 2.448 281 A HA 0.595 4.915 4.320 -0.001 0.000 0.239 281 A C 0.661 178.250 177.584 0.008 0.000 1.080 281 A CA 0.186 52.225 52.037 0.003 0.000 0.779 281 A CB 0.376 19.377 19.000 0.001 0.000 1.026 281 A HN 0.837 nan 8.150 nan 0.000 0.499 282 A N 1.256 124.082 122.820 0.010 0.000 2.548 282 A HA 0.427 4.746 4.320 -0.001 0.000 0.247 282 A C 1.036 178.629 177.584 0.015 0.000 1.067 282 A CA 0.546 52.592 52.037 0.015 0.000 0.757 282 A CB -0.205 18.803 19.000 0.014 0.000 0.996 282 A HN 1.042 nan 8.150 nan 0.000 0.504 283 K N -0.192 120.221 120.400 0.022 0.000 3.500 283 K HA -0.174 4.146 4.320 -0.001 0.000 0.313 283 K C 0.114 176.724 176.600 0.016 0.000 1.338 283 K CA 1.591 57.892 56.287 0.024 0.000 0.963 283 K CB -1.485 31.027 32.500 0.019 0.000 1.267 283 K HN 1.026 nan 8.250 nan 0.000 0.448 284 E N 1.357 121.564 120.200 0.012 0.000 2.289 284 E HA 0.211 4.561 4.350 -0.001 0.000 0.278 284 E C -0.238 176.366 176.600 0.006 0.000 1.032 284 E CA -0.425 55.979 56.400 0.006 0.000 0.854 284 E CB 0.771 30.471 29.700 0.001 0.000 1.046 284 E HN 0.189 nan 8.360 nan 0.000 0.409 285 R N 4.063 124.564 120.500 0.002 0.000 2.387 285 R HA 0.338 4.677 4.340 -0.001 0.000 0.314 285 R C -0.989 175.308 176.300 -0.004 0.000 0.958 285 R CA -0.619 55.481 56.100 0.000 0.000 0.846 285 R CB 0.930 31.229 30.300 -0.000 0.000 1.147 285 R HN 0.414 nan 8.270 nan 0.000 0.447 286 K N 2.026 122.423 120.400 -0.004 0.000 2.316 286 K HA 0.294 4.613 4.320 -0.001 0.000 0.251 286 K C -1.077 175.522 176.600 -0.001 0.000 0.934 286 K CA -0.779 55.503 56.287 -0.009 0.000 0.802 286 K CB 2.458 34.945 32.500 -0.021 0.000 1.171 286 K HN 0.516 nan 8.250 nan 0.000 0.426 287 T N 2.166 116.722 114.554 0.003 0.000 2.729 287 T HA 0.161 4.511 4.350 -0.001 0.000 0.296 287 T C -0.140 174.546 174.700 -0.023 0.000 0.928 287 T CA -0.510 61.600 62.100 0.016 0.000 1.045 287 T CB 0.496 69.387 68.868 0.039 0.000 0.902 287 T HN 0.138 nan 8.240 nan 0.000 0.500 288 V N 4.811 124.700 119.914 -0.042 0.000 2.406 288 V HA 0.284 4.403 4.120 -0.001 0.000 0.272 288 V C 0.679 176.696 176.094 -0.128 0.000 1.043 288 V CA -0.497 61.718 62.300 -0.141 0.000 0.915 288 V CB 1.138 32.820 31.823 -0.235 0.000 0.988 288 V HN 0.888 nan 8.190 nan 0.000 0.466 289 T N 6.319 120.779 114.554 -0.157 0.000 2.756 289 T HA 0.544 4.893 4.350 -0.001 0.000 0.290 289 T C -0.336 174.283 174.700 -0.136 0.000 0.985 289 T CA -0.050 62.002 62.100 -0.080 0.000 0.955 289 T CB 0.239 69.078 68.868 -0.049 0.000 0.930 289 T HN 0.294 nan 8.240 nan 0.000 0.451 290 F N 3.868 123.770 119.950 -0.079 0.000 2.389 290 F HA 0.370 4.897 4.527 -0.001 0.000 0.337 290 F C -1.553 174.209 175.800 -0.062 0.000 1.112 290 F CA -2.226 55.734 58.000 -0.067 0.000 1.192 290 F CB 0.288 39.242 39.000 -0.077 0.000 1.185 290 F HN 0.353 nan 8.300 nan 0.000 0.552 291 P HA -0.020 nan 4.420 nan 0.000 0.267 291 P C -0.590 176.746 177.300 0.061 0.000 1.200 291 P CA -0.306 62.833 63.100 0.065 0.000 0.772 291 P CB 0.452 32.184 31.700 0.053 0.000 0.855 292 L N 3.736 124.973 121.223 0.024 0.000 2.559 292 L HA 0.019 4.358 4.340 -0.001 0.000 0.282 292 L C -0.595 176.274 176.870 -0.002 0.000 1.232 292 L CA 0.754 55.594 54.840 0.001 0.000 0.885 292 L CB 0.225 42.285 42.059 0.002 0.000 1.131 292 L HN 0.064 nan 8.230 nan 0.000 0.498 293 V N 5.527 125.421 119.914 -0.034 0.000 2.378 293 V HA 0.519 4.638 4.120 -0.001 0.000 0.288 293 V C 0.689 176.752 176.094 -0.050 0.000 1.016 293 V CA -0.305 61.972 62.300 -0.038 0.000 0.840 293 V CB 1.171 32.953 31.823 -0.069 0.000 0.994 293 V HN 0.953 nan 8.190 nan 0.000 0.431 294 G N 3.948 112.749 108.800 0.002 0.000 2.403 294 G HA2 0.511 4.470 3.960 -0.001 0.000 0.259 294 G HA3 0.511 4.470 3.960 -0.001 0.000 0.259 294 G C -1.048 173.826 174.900 -0.043 0.000 1.244 294 G CA -0.192 44.924 45.100 0.027 0.000 0.849 294 G HN 0.583 nan 8.290 nan 0.000 0.532 295 L N 2.079 123.183 121.223 -0.198 0.000 2.406 295 L HA 0.431 4.771 4.340 -0.001 0.000 0.270 295 L C -1.102 175.718 176.870 -0.084 0.000 0.982 295 L CA -0.814 53.941 54.840 -0.142 0.000 0.843 295 L CB 1.797 43.726 42.059 -0.217 0.000 1.225 295 L HN 0.361 nan 8.230 nan 0.000 0.412 296 D N 5.343 125.791 120.400 0.079 0.000 2.255 296 D HA 0.333 4.973 4.640 -0.001 0.000 0.249 296 D C 0.089 176.445 176.300 0.093 0.000 1.078 296 D CA -0.116 53.975 54.000 0.152 0.000 0.896 296 D CB 0.962 41.848 40.800 0.143 0.000 1.194 296 D HN 0.372 nan 8.370 nan 0.000 0.429 297 R N 0.055 120.617 120.500 0.104 0.000 3.158 297 R HA -0.120 4.219 4.340 -0.001 0.000 0.244 297 R C -2.233 174.121 176.300 0.091 0.000 0.900 297 R CA 0.076 56.230 56.100 0.090 0.000 0.618 297 R CB -2.454 27.890 30.300 0.074 0.000 1.061 297 R HN 0.426 nan 8.270 nan 0.000 0.471 298 P HA -0.024 nan 4.420 nan 0.000 0.267 298 P C 0.118 177.519 177.300 0.168 0.000 1.200 298 P CA -0.146 63.041 63.100 0.145 0.000 0.772 298 P CB 0.554 32.308 31.700 0.091 0.000 0.855 299 N N 2.417 121.225 118.700 0.180 0.000 2.549 299 N HA 0.059 4.798 4.740 -0.001 0.000 0.267 299 N C -0.442 175.168 175.510 0.166 0.000 1.182 299 N CA 0.004 53.057 53.050 0.005 0.000 1.019 299 N CB -0.470 37.716 38.487 -0.501 0.000 1.380 299 N HN 0.067 nan 8.380 nan 0.000 0.505 300 V N 3.486 123.512 119.914 0.187 0.000 2.617 300 V HA -0.125 3.995 4.120 -0.001 0.000 0.304 300 V C 0.688 176.846 176.094 0.107 0.000 1.040 300 V CA -0.264 62.100 62.300 0.108 0.000 1.149 300 V CB 0.009 31.820 31.823 -0.020 0.000 0.914 300 V HN 0.532 nan 8.190 nan 0.000 0.487 301 W N 5.960 127.198 121.300 -0.104 0.000 2.238 301 W HA 0.472 5.132 4.660 -0.001 0.000 0.321 301 W C -0.695 175.653 176.519 -0.285 0.000 1.293 301 W CA -0.443 56.861 57.345 -0.068 0.000 1.204 301 W CB 0.578 30.023 29.460 -0.026 0.000 1.167 301 W HN 0.541 nan 8.180 nan 0.000 0.553 302 W N 6.877 127.868 121.300 -0.515 0.000 2.864 302 W HA 0.392 5.051 4.660 -0.001 0.000 0.343 302 W C -1.877 174.013 176.519 -1.048 0.000 1.109 302 W CA -2.277 54.789 57.345 -0.465 0.000 1.192 302 W CB 0.745 30.046 29.460 -0.264 0.000 1.426 302 W HN 0.158 nan 8.180 nan 0.000 0.529 303 P HA 0.066 nan 4.420 nan 0.000 0.268 303 P C -0.354 176.836 177.300 -0.182 0.000 1.208 303 P CA 0.069 63.045 63.100 -0.207 0.000 0.777 303 P CB 0.350 32.091 31.700 0.068 0.000 0.875 304 A N 2.748 125.473 122.820 -0.159 0.000 2.584 304 A HA 0.350 4.669 4.320 -0.001 0.000 0.239 304 A C 1.617 179.151 177.584 -0.085 0.000 1.043 304 A CA 0.978 52.945 52.037 -0.118 0.000 0.756 304 A CB -1.537 17.417 19.000 -0.077 0.000 0.963 304 A HN 0.895 nan 8.150 nan 0.000 0.511 305 G N 1.376 110.118 108.800 -0.097 0.000 2.199 305 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.254 305 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.254 305 G C 0.683 175.507 174.900 -0.127 0.000 0.982 305 G CA 0.852 45.896 45.100 -0.094 0.000 0.632 305 G HN 0.735 nan 8.290 nan 0.000 0.529 306 M N 0.232 119.747 119.600 -0.140 0.000 2.337 306 M HA 0.467 4.946 4.480 -0.001 0.000 0.256 306 M C 1.211 177.183 176.300 -0.547 0.000 1.075 306 M CA 1.152 56.302 55.300 -0.251 0.000 1.024 306 M CB 0.987 33.555 32.600 -0.053 0.000 1.429 306 M HN 0.948 nan 8.290 nan 0.000 0.497 307 G N -0.572 108.020 108.800 -0.346 0.000 2.351 307 G HA2 0.318 4.277 3.960 -0.001 0.000 0.279 307 G HA3 0.318 4.277 3.960 -0.001 0.000 0.279 307 G C -1.034 173.798 174.900 -0.113 0.000 1.297 307 G CA -0.609 44.270 45.100 -0.368 0.000 0.886 307 G HN 0.226 nan 8.290 nan 0.000 0.493 308 G N -1.526 107.277 108.800 0.005 0.000 2.547 308 G HA2 0.505 4.465 3.960 -0.001 0.000 0.291 308 G HA3 0.505 4.465 3.960 -0.001 0.000 0.291 308 G C -0.159 174.683 174.900 -0.098 0.000 1.211 308 G CA -0.080 45.011 45.100 -0.013 0.000 0.950 308 G HN 0.521 nan 8.290 nan 0.000 0.504 309 Q N -0.918 118.804 119.800 -0.131 0.000 2.182 309 Q HA 0.178 4.518 4.340 -0.001 0.000 0.305 309 Q C -0.255 175.838 176.000 0.154 0.000 0.880 309 Q CA -0.429 55.221 55.803 -0.255 0.000 1.131 309 Q CB 0.344 28.977 28.738 -0.174 0.000 1.237 309 Q HN 0.747 nan 8.270 nan 0.000 0.447 310 H N 0.426 119.533 119.070 0.063 0.000 2.928 310 H HA 0.258 4.813 4.556 -0.001 0.000 0.338 310 H C -0.449 174.910 175.328 0.052 0.000 1.047 310 H CA 0.569 56.612 56.048 -0.007 0.000 1.435 310 H CB 0.503 30.186 29.762 -0.132 0.000 1.428 310 H HN 0.029 nan 8.280 nan 0.000 0.590 311 R N 3.944 124.091 120.500 -0.587 0.000 2.534 311 R HA 0.261 4.600 4.340 -0.001 0.000 0.301 311 R C -1.032 174.767 176.300 -0.836 0.000 0.961 311 R CA -0.697 55.113 56.100 -0.484 0.000 0.871 311 R CB 1.213 31.366 30.300 -0.245 0.000 1.170 311 R HN 0.562 nan 8.270 nan 0.000 0.446 312 Y N 0.428 120.311 120.300 -0.694 0.000 2.334 312 Y HA 0.191 4.740 4.550 -0.001 0.000 0.325 312 Y C 0.518 176.078 175.900 -0.568 0.000 1.308 312 Y CA 0.102 57.803 58.100 -0.666 0.000 1.389 312 Y CB 0.930 38.820 38.460 -0.950 0.000 1.328 312 Y HN 0.370 nan 8.280 nan 0.000 0.532 313 D N 1.301 121.661 120.400 -0.065 0.000 2.248 313 D HA 0.327 4.966 4.640 -0.001 0.000 0.246 313 D C -1.423 175.006 176.300 0.214 0.000 1.027 313 D CA -0.490 53.539 54.000 0.050 0.000 0.853 313 D CB 2.564 43.384 40.800 0.034 0.000 1.243 313 D HN 0.207 nan 8.370 nan 0.000 0.462 314 L N 2.022 123.375 121.223 0.215 0.000 2.313 314 L HA 0.419 4.759 4.340 -0.001 0.000 0.283 314 L C -1.183 175.718 176.870 0.052 0.000 1.013 314 L CA -0.287 54.633 54.840 0.134 0.000 0.816 314 L CB 1.485 43.602 42.059 0.096 0.000 1.236 314 L HN 0.135 nan 8.230 nan 0.000 0.419 315 D N 5.237 125.646 120.400 0.016 0.000 2.620 315 D HA 0.507 5.147 4.640 -0.001 0.000 0.252 315 D C -1.576 174.717 176.300 -0.012 0.000 1.207 315 D CA -0.046 53.961 54.000 0.011 0.000 0.884 315 D CB 1.082 41.895 40.800 0.021 0.000 1.262 315 D HN 0.542 nan 8.370 nan 0.000 0.552 316 L N 2.296 123.518 121.223 -0.001 0.000 2.401 316 L HA 0.574 4.914 4.340 -0.001 0.000 0.266 316 L C -0.315 176.574 176.870 0.032 0.000 0.991 316 L CA -0.696 54.148 54.840 0.007 0.000 0.818 316 L CB 2.618 44.681 42.059 0.006 0.000 1.321 316 L HN 0.245 nan 8.230 nan 0.000 0.413 317 T N 1.563 116.144 114.554 0.046 0.000 2.848 317 T HA 0.612 4.961 4.350 -0.001 0.000 0.285 317 T C -0.368 174.369 174.700 0.061 0.000 0.995 317 T CA -0.486 61.642 62.100 0.048 0.000 0.970 317 T CB 1.866 70.760 68.868 0.042 0.000 0.976 317 T HN 0.609 nan 8.240 nan 0.000 0.441 318 A N 2.713 125.565 122.820 0.053 0.000 2.252 318 A HA 0.704 5.024 4.320 -0.001 0.000 0.309 318 A C 0.202 177.811 177.584 0.042 0.000 1.285 318 A CA -0.463 51.604 52.037 0.051 0.000 0.900 318 A CB 0.354 19.379 19.000 0.041 0.000 1.157 318 A HN 0.674 nan 8.150 nan 0.000 0.536 319 S N 0.821 116.546 115.700 0.041 0.000 2.501 319 S HA 0.666 5.135 4.470 -0.001 0.000 0.301 319 S C -0.546 174.072 174.600 0.030 0.000 1.096 319 S CA -0.462 57.759 58.200 0.035 0.000 1.063 319 S CB 1.598 64.820 63.200 0.035 0.000 1.042 319 S HN 0.613 nan 8.310 nan 0.000 0.494 320 V N 1.605 121.537 119.914 0.029 0.000 2.577 320 V HA 0.664 4.784 4.120 -0.001 0.000 0.303 320 V C 0.718 176.827 176.094 0.025 0.000 1.042 320 V CA -0.273 62.042 62.300 0.026 0.000 0.872 320 V CB 1.054 32.893 31.823 0.028 0.000 0.998 320 V HN 1.209 nan 8.190 nan 0.000 0.423 321 G N 3.318 112.131 108.800 0.021 0.000 2.273 321 G HA2 0.072 4.032 3.960 -0.001 0.000 0.280 321 G HA3 0.072 4.032 3.960 -0.001 0.000 0.280 321 G C 1.152 176.065 174.900 0.020 0.000 1.047 321 G CA 0.678 45.790 45.100 0.019 0.000 0.869 321 G HN 2.439 nan 8.290 nan 0.000 0.502 322 G N -2.467 106.346 108.800 0.021 0.000 2.155 322 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.257 322 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.257 322 G C 0.320 175.235 174.900 0.025 0.000 0.983 322 G CA 1.085 46.198 45.100 0.022 0.000 0.676 322 G HN 1.719 nan 8.290 nan 0.000 0.528 323 T N 1.543 116.113 114.554 0.027 0.000 2.861 323 T HA 0.570 4.919 4.350 -0.001 0.000 0.287 323 T C -2.644 172.075 174.700 0.032 0.000 1.003 323 T CA -1.048 61.070 62.100 0.029 0.000 0.977 323 T CB 2.763 71.649 68.868 0.029 0.000 0.996 323 T HN -0.025 nan 8.240 nan 0.000 0.448 324 P HA 0.104 nan 4.420 nan 0.000 0.264 324 P C 0.257 177.580 177.300 0.040 0.000 1.183 324 P CA 0.265 63.387 63.100 0.037 0.000 0.763 324 P CB 0.692 32.414 31.700 0.037 0.000 0.807 325 S N 1.239 116.963 115.700 0.040 0.000 2.641 325 S HA 0.116 4.586 4.470 -0.001 0.000 0.239 325 S C 0.222 174.849 174.600 0.045 0.000 1.081 325 S CA 0.370 58.597 58.200 0.045 0.000 0.904 325 S CB 0.103 63.328 63.200 0.043 0.000 0.803 325 S HN 0.499 nan 8.310 nan 0.000 0.510 326 D N -0.727 119.695 120.400 0.036 0.000 2.615 326 D HA 0.727 5.366 4.640 -0.001 0.000 0.267 326 D C -1.586 174.732 176.300 0.030 0.000 1.236 326 D CA -0.014 54.003 54.000 0.028 0.000 0.839 326 D CB 2.086 42.890 40.800 0.006 0.000 1.380 326 D HN 0.373 nan 8.370 nan 0.000 0.433 327 A N 0.019 122.856 122.820 0.028 0.000 2.574 327 A HA 0.864 5.183 4.320 -0.001 0.000 0.297 327 A C -1.707 175.894 177.584 0.029 0.000 1.062 327 A CA -0.026 52.030 52.037 0.031 0.000 0.686 327 A CB 1.669 20.689 19.000 0.035 0.000 1.285 327 A HN 0.853 nan 8.150 nan 0.000 0.403 328 A N 1.452 124.289 122.820 0.029 0.000 2.517 328 A HA 0.747 5.066 4.320 -0.001 0.000 0.297 328 A C -1.099 176.502 177.584 0.029 0.000 1.050 328 A CA -0.544 51.511 52.037 0.029 0.000 0.694 328 A CB 1.345 20.361 19.000 0.026 0.000 1.277 328 A HN 0.626 nan 8.150 nan 0.000 0.400 329 K N 1.261 121.681 120.400 0.033 0.000 2.292 329 K HA 0.740 5.060 4.320 -0.001 0.000 0.257 329 K C -0.485 176.139 176.600 0.040 0.000 0.940 329 K CA -0.306 56.003 56.287 0.036 0.000 0.811 329 K CB 2.059 34.581 32.500 0.037 0.000 1.120 329 K HN 0.961 nan 8.250 nan 0.000 0.428 330 S N 1.868 117.596 115.700 0.048 0.000 2.720 330 S HA 0.595 5.064 4.470 -0.001 0.000 0.287 330 S C -1.020 173.623 174.600 0.072 0.000 1.168 330 S CA -1.080 57.150 58.200 0.049 0.000 0.832 330 S CB 1.966 65.189 63.200 0.037 0.000 1.166 330 S HN 0.460 nan 8.310 nan 0.000 0.493 331 K N -0.103 120.326 120.400 0.048 0.000 2.350 331 K HA 0.824 5.144 4.320 -0.001 0.000 0.241 331 K C -1.451 175.213 176.600 0.107 0.000 0.994 331 K CA -0.763 55.543 56.287 0.032 0.000 0.839 331 K CB 1.698 34.167 32.500 -0.051 0.000 1.244 331 K HN 0.728 nan 8.250 nan 0.000 0.443 332 F N -2.473 117.441 119.950 -0.060 0.000 2.678 332 F HA 0.661 5.188 4.527 -0.001 0.000 0.308 332 F C -0.698 175.095 175.800 -0.010 0.000 1.118 332 F CA -1.121 56.829 58.000 -0.084 0.000 0.959 332 F CB 1.264 40.219 39.000 -0.076 0.000 1.305 332 F HN 0.502 nan 8.300 nan 0.000 0.443 333 G N 0.934 109.747 108.800 0.022 0.000 2.448 333 G HA2 0.576 4.536 3.960 -0.001 0.000 0.324 333 G HA3 0.576 4.536 3.960 -0.001 0.000 0.324 333 G C -1.776 173.216 174.900 0.153 0.000 1.203 333 G CA -1.148 43.954 45.100 0.002 0.000 0.954 333 G HN 0.684 nan 8.290 nan 0.000 0.480 334 V N 3.090 123.144 119.914 0.234 0.000 2.368 334 V HA 0.629 4.748 4.120 -0.001 0.000 0.266 334 V C 0.389 176.532 176.094 0.082 0.000 1.045 334 V CA -0.340 62.066 62.300 0.176 0.000 0.899 334 V CB 0.376 32.317 31.823 0.197 0.000 1.006 334 V HN 0.825 nan 8.190 nan 0.000 0.470 335 R N 3.697 124.202 120.500 0.008 0.000 2.764 335 R HA 0.243 4.582 4.340 -0.001 0.000 0.250 335 R C -2.071 174.195 176.300 -0.057 0.000 1.122 335 R CA -0.543 55.533 56.100 -0.039 0.000 1.022 335 R CB 1.996 32.314 30.300 0.030 0.000 1.266 335 R HN 0.725 nan 8.270 nan 0.000 0.454 336 D N 2.427 122.785 120.400 -0.070 0.000 2.177 336 D HA 0.435 5.074 4.640 -0.001 0.000 0.247 336 D C -1.073 175.218 176.300 -0.016 0.000 1.063 336 D CA -0.321 53.651 54.000 -0.046 0.000 0.867 336 D CB 1.790 42.568 40.800 -0.037 0.000 1.168 336 D HN 0.333 nan 8.370 nan 0.000 0.445 337 V N 3.077 122.984 119.914 -0.011 0.000 2.789 337 V HA 0.633 4.753 4.120 -0.001 0.000 0.311 337 V C -1.439 174.667 176.094 0.020 0.000 1.073 337 V CA -0.514 61.809 62.300 0.038 0.000 0.921 337 V CB 1.626 33.494 31.823 0.076 0.000 1.009 337 V HN 0.607 nan 8.190 nan 0.000 0.426 338 K N 4.123 124.550 120.400 0.045 0.000 2.435 338 K HA 0.895 5.215 4.320 -0.001 0.000 0.251 338 K C -1.203 175.352 176.600 -0.075 0.000 0.954 338 K CA -0.465 55.814 56.287 -0.013 0.000 0.820 338 K CB 2.424 34.920 32.500 -0.005 0.000 1.292 338 K HN 0.961 nan 8.250 nan 0.000 0.436 339 A N 1.571 124.265 122.820 -0.211 0.000 2.651 339 A HA 0.435 4.754 4.320 -0.001 0.000 0.290 339 A C -0.660 176.751 177.584 -0.288 0.000 1.185 339 A CA -0.621 51.131 52.037 -0.475 0.000 0.746 339 A CB 0.533 18.938 19.000 -0.992 0.000 1.213 339 A HN 0.651 nan 8.150 nan 0.000 0.429 340 T N -0.243 114.207 114.554 -0.172 0.000 2.942 340 T HA 0.741 5.090 4.350 -0.001 0.000 0.289 340 T C -0.196 174.468 174.700 -0.060 0.000 1.044 340 T CA -0.823 61.219 62.100 -0.096 0.000 1.023 340 T CB 1.002 69.842 68.868 -0.047 0.000 1.123 340 T HN 0.392 nan 8.240 nan 0.000 0.512 341 L N 3.357 124.559 121.223 -0.035 0.000 2.360 341 L HA 0.315 4.655 4.340 -0.001 0.000 0.276 341 L C 0.892 177.773 176.870 0.019 0.000 1.121 341 L CA -0.932 53.907 54.840 -0.001 0.000 0.845 341 L CB 0.057 42.115 42.059 -0.001 0.000 1.143 341 L HN 0.798 nan 8.230 nan 0.000 0.452 342 N N 1.060 119.786 118.700 0.043 0.000 2.294 342 N HA -0.023 4.716 4.740 -0.001 0.000 0.248 342 N C 0.974 176.504 175.510 0.034 0.000 1.300 342 N CA -0.033 53.043 53.050 0.044 0.000 0.925 342 N CB 0.276 38.800 38.487 0.062 0.000 1.188 342 N HN 0.543 nan 8.380 nan 0.000 0.512 343 S N -1.990 113.726 115.700 0.025 0.000 2.500 343 S HA -0.086 4.383 4.470 -0.001 0.000 0.239 343 S C 1.071 175.682 174.600 0.019 0.000 0.989 343 S CA 0.689 58.898 58.200 0.017 0.000 0.951 343 S CB -0.624 62.581 63.200 0.008 0.000 0.759 343 S HN 0.519 nan 8.310 nan 0.000 0.523 344 S N 0.310 116.030 115.700 0.033 0.000 2.556 344 S HA 0.471 4.941 4.470 -0.001 0.000 0.216 344 S C 1.380 176.018 174.600 0.062 0.000 0.970 344 S CA 0.258 58.482 58.200 0.040 0.000 0.912 344 S CB 0.166 63.398 63.200 0.053 0.000 0.790 344 S HN 1.030 nan 8.310 nan 0.000 0.504 345 G N 1.379 110.215 108.800 0.061 0.000 2.143 345 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.249 345 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.249 345 G C 0.231 175.189 174.900 0.097 0.000 0.981 345 G CA -0.238 44.902 45.100 0.067 0.000 0.665 345 G HN 0.778 nan 8.290 nan 0.000 0.528 346 G N -0.440 108.433 108.800 0.122 0.000 2.372 346 G HA2 0.579 4.538 3.960 -0.001 0.000 0.283 346 G HA3 0.579 4.538 3.960 -0.001 0.000 0.283 346 G C 0.131 175.118 174.900 0.145 0.000 1.177 346 G CA -0.439 44.761 45.100 0.168 0.000 0.842 346 G HN 0.506 nan 8.290 nan 0.000 0.503 347 R N 0.801 121.393 120.500 0.154 0.000 2.421 347 R HA 0.246 4.585 4.340 -0.001 0.000 0.305 347 R C -0.150 176.267 176.300 0.195 0.000 1.039 347 R CA -0.072 56.064 56.100 0.061 0.000 1.003 347 R CB 0.557 30.796 30.300 -0.101 0.000 0.959 347 R HN 0.495 nan 8.270 nan 0.000 0.427 348 Q N 4.377 124.224 119.800 0.078 0.000 2.339 348 Q HA 0.262 4.601 4.340 -0.001 0.000 0.268 348 Q C -1.685 174.378 176.000 0.104 0.000 1.027 348 Q CA -0.438 55.482 55.803 0.195 0.000 0.759 348 Q CB 0.664 29.504 28.738 0.170 0.000 1.244 348 Q HN 0.624 nan 8.270 nan 0.000 0.464 349 Y N 1.262 121.686 120.300 0.207 0.000 2.307 349 Y HA 0.594 5.144 4.550 -0.001 0.000 0.324 349 Y C 0.475 176.468 175.900 0.155 0.000 1.238 349 Y CA 0.151 58.346 58.100 0.158 0.000 1.280 349 Y CB 1.751 40.317 38.460 0.177 0.000 1.248 349 Y HN 0.706 nan 8.280 nan 0.000 0.508 350 S N 0.353 116.224 115.700 0.285 0.000 2.536 350 S HA 0.792 5.261 4.470 -0.001 0.000 0.271 350 S C -1.718 172.999 174.600 0.195 0.000 1.134 350 S CA -0.911 57.422 58.200 0.222 0.000 0.897 350 S CB 1.363 64.661 63.200 0.162 0.000 1.094 350 S HN 0.337 nan 8.310 nan 0.000 0.473 351 V N 2.349 122.374 119.914 0.186 0.000 2.487 351 V HA 0.510 4.629 4.120 -0.001 0.000 0.298 351 V C 0.170 176.308 176.094 0.075 0.000 1.028 351 V CA -0.870 61.514 62.300 0.139 0.000 0.860 351 V CB 0.823 32.760 31.823 0.189 0.000 0.991 351 V HN 1.146 nan 8.190 nan 0.000 0.427 352 N N 3.474 122.152 118.700 -0.037 0.000 2.721 352 N HA -0.237 4.502 4.740 -0.001 0.000 0.249 352 N C 1.069 176.610 175.510 0.053 0.000 1.072 352 N CA 0.717 53.699 53.050 -0.113 0.000 0.710 352 N CB -0.771 37.384 38.487 -0.553 0.000 0.993 352 N HN 1.477 nan 8.380 nan 0.000 0.547 353 G N -1.279 107.571 108.800 0.084 0.000 2.179 353 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.260 353 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.260 353 G C -0.192 174.798 174.900 0.151 0.000 0.977 353 G CA 0.413 45.579 45.100 0.111 0.000 0.641 353 G HN 0.269 nan 8.290 nan 0.000 0.533 354 K N 1.530 122.048 120.400 0.196 0.000 2.281 354 K HA 0.443 4.762 4.320 -0.001 0.000 0.272 354 K C -2.467 174.260 176.600 0.213 0.000 1.048 354 K CA -2.079 54.339 56.287 0.218 0.000 0.898 354 K CB 2.166 34.839 32.500 0.288 0.000 1.128 354 K HN 0.157 nan 8.250 nan 0.000 0.460 355 P HA 0.153 nan 4.420 nan 0.000 0.269 355 P C -0.607 176.871 177.300 0.296 0.000 1.215 355 P CA -0.550 62.703 63.100 0.255 0.000 0.780 355 P CB 0.614 32.464 31.700 0.251 0.000 0.898 356 L N 2.581 123.977 121.223 0.287 0.000 2.436 356 L HA 0.355 4.694 4.340 -0.001 0.000 0.268 356 L C -0.745 176.104 176.870 -0.035 0.000 0.974 356 L CA -0.880 54.044 54.840 0.140 0.000 0.826 356 L CB 1.751 43.895 42.059 0.142 0.000 1.291 356 L HN 0.192 nan 8.230 nan 0.000 0.406 357 L N 5.433 126.316 121.223 -0.567 0.000 2.369 357 L HA 0.348 4.687 4.340 -0.001 0.000 0.279 357 L C -0.307 176.395 176.870 -0.279 0.000 1.108 357 L CA 0.248 54.677 54.840 -0.686 0.000 0.852 357 L CB 0.015 41.410 42.059 -1.107 0.000 1.169 357 L HN 0.311 nan 8.230 nan 0.000 0.452 358 I N 6.295 126.772 120.570 -0.155 0.000 2.587 358 I HA 0.083 4.253 4.170 -0.001 0.000 0.284 358 I C 0.512 176.527 176.117 -0.170 0.000 1.134 358 I CA 0.592 61.817 61.300 -0.124 0.000 1.410 358 I CB -0.291 37.687 38.000 -0.036 0.000 1.392 358 I HN 0.626 nan 8.210 nan 0.000 0.545 359 R N 4.510 124.961 120.500 -0.082 0.000 2.435 359 R HA 0.674 5.014 4.340 -0.001 0.000 0.308 359 R C 0.088 176.423 176.300 0.058 0.000 0.975 359 R CA -0.465 55.643 56.100 0.014 0.000 0.867 359 R CB 2.054 32.359 30.300 0.009 0.000 1.171 359 R HN 0.864 nan 8.270 nan 0.000 0.470 360 G N 0.411 109.287 108.800 0.128 0.000 2.827 360 G HA2 0.734 4.693 3.960 -0.001 0.000 0.296 360 G HA3 0.734 4.693 3.960 -0.001 0.000 0.296 360 G C -1.258 173.754 174.900 0.186 0.000 1.362 360 G CA -0.767 44.402 45.100 0.114 0.000 0.809 360 G HN 0.574 nan 8.290 nan 0.000 0.522 361 G N -1.808 107.085 108.800 0.156 0.000 2.660 361 G HA2 0.642 4.601 3.960 -0.001 0.000 0.294 361 G HA3 0.642 4.601 3.960 -0.001 0.000 0.294 361 G C -0.251 174.714 174.900 0.109 0.000 1.369 361 G CA 0.097 45.293 45.100 0.160 0.000 0.912 361 G HN 1.167 nan 8.290 nan 0.000 0.479 362 G N -0.551 108.257 108.800 0.014 0.000 2.360 362 G HA2 0.430 4.389 3.960 -0.001 0.000 0.279 362 G HA3 0.430 4.389 3.960 -0.001 0.000 0.279 362 G C -0.664 174.095 174.900 -0.235 0.000 1.189 362 G CA -0.101 44.919 45.100 -0.133 0.000 0.941 362 G HN 0.643 nan 8.290 nan 0.000 0.445 363 Y N 2.490 122.697 120.300 -0.154 0.000 2.308 363 Y HA 0.592 5.141 4.550 -0.001 0.000 0.329 363 Y C 0.381 176.200 175.900 -0.135 0.000 1.111 363 Y CA -0.423 57.615 58.100 -0.103 0.000 1.179 363 Y CB 1.972 40.461 38.460 0.050 0.000 1.201 363 Y HN 0.516 nan 8.280 nan 0.000 0.483 364 T N 8.487 122.533 114.554 -0.846 0.000 2.876 364 T HA 0.533 4.882 4.350 -0.001 0.000 0.289 364 T C -2.859 171.452 174.700 -0.650 0.000 1.014 364 T CA -2.316 59.482 62.100 -0.504 0.000 0.986 364 T CB 1.436 70.203 68.868 -0.168 0.000 1.021 364 T HN 0.550 nan 8.240 nan 0.000 0.458 365 P HA 0.248 nan 4.420 nan 0.000 0.279 365 P C -0.569 176.790 177.300 0.098 0.000 1.282 365 P CA -0.323 62.826 63.100 0.082 0.000 0.788 365 P CB 0.318 32.189 31.700 0.285 0.000 1.139 366 D N -0.805 119.662 120.400 0.112 0.000 2.506 366 D HA -0.094 4.546 4.640 -0.001 0.000 0.234 366 D C 1.266 177.490 176.300 -0.125 0.000 1.143 366 D CA -0.155 53.866 54.000 0.035 0.000 0.871 366 D CB 0.175 41.048 40.800 0.120 0.000 1.190 366 D HN 0.065 nan 8.370 nan 0.000 0.459 367 L N 3.643 124.525 121.223 -0.569 0.000 2.189 367 L HA -0.089 4.250 4.340 -0.001 0.000 0.214 367 L C 0.835 177.153 176.870 -0.920 0.000 1.097 367 L CA 1.737 55.821 54.840 -1.260 0.000 0.764 367 L CB -0.434 40.673 42.059 -1.586 0.000 0.900 367 L HN 0.527 nan 8.230 nan 0.000 0.436 368 F N -1.290 118.686 119.950 0.044 0.000 2.668 368 F HA 0.359 4.885 4.527 -0.001 0.000 0.301 368 F C 1.020 176.914 175.800 0.156 0.000 1.106 368 F CA -0.749 57.315 58.000 0.107 0.000 1.289 368 F CB -0.456 38.589 39.000 0.076 0.000 1.006 368 F HN -0.187 nan 8.300 nan 0.000 0.535 369 L N -0.188 121.202 121.223 0.278 0.000 3.976 369 L HA -0.314 4.025 4.340 -0.001 0.000 0.418 369 L C 0.343 177.390 176.870 0.295 0.000 1.177 369 L CA 0.378 55.398 54.840 0.301 0.000 0.968 369 L CB -1.669 40.561 42.059 0.285 0.000 1.933 369 L HN 0.246 nan 8.230 nan 0.000 0.976 370 R N 0.905 121.563 120.500 0.264 0.000 2.370 370 R HA 0.092 4.432 4.340 -0.001 0.000 0.309 370 R C 0.106 176.565 176.300 0.264 0.000 1.059 370 R CA -0.109 56.133 56.100 0.237 0.000 0.981 370 R CB 0.580 30.982 30.300 0.169 0.000 0.972 370 R HN 0.285 nan 8.270 nan 0.000 0.437 371 W N 5.535 126.913 121.300 0.130 0.000 2.390 371 W HA 0.275 4.934 4.660 -0.001 0.000 0.312 371 W C -1.159 175.432 176.519 0.120 0.000 1.123 371 W CA -0.524 56.901 57.345 0.134 0.000 1.202 371 W CB 1.186 30.727 29.460 0.136 0.000 1.251 371 W HN 0.500 nan 8.180 nan 0.000 0.511 372 N N 4.585 122.686 118.700 -0.998 0.000 2.519 372 N HA -0.026 4.714 4.740 -0.001 0.000 0.291 372 N C 0.376 175.211 175.510 -1.124 0.000 1.107 372 N CA -0.064 52.510 53.050 -0.793 0.000 0.904 372 N CB 1.784 40.073 38.487 -0.331 0.000 1.500 372 N HN 0.704 nan 8.380 nan 0.000 0.510 373 E N 1.797 121.531 120.200 -0.775 0.000 2.058 373 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 373 E C 0.797 177.269 176.600 -0.213 0.000 0.997 373 E CA 1.959 58.156 56.400 -0.339 0.000 0.801 373 E CB 0.290 30.088 29.700 0.163 0.000 0.746 373 E HN 0.641 nan 8.360 nan 0.000 0.450 374 T N 0.632 115.092 114.554 -0.157 0.000 2.684 374 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 374 T C 1.892 176.505 174.700 -0.144 0.000 1.036 374 T CA 1.388 63.422 62.100 -0.110 0.000 1.148 374 T CB -0.414 68.409 68.868 -0.075 0.000 0.863 374 T HN 0.353 nan 8.240 nan 0.000 0.436 375 A N 1.475 124.180 122.820 -0.192 0.000 1.940 375 A HA 0.074 4.394 4.320 -0.001 0.000 0.219 375 A C 2.641 180.147 177.584 -0.130 0.000 1.176 375 A CA 1.971 53.910 52.037 -0.164 0.000 0.631 375 A CB -1.105 17.803 19.000 -0.154 0.000 0.814 375 A HN 0.531 nan 8.150 nan 0.000 0.446 376 A N -0.230 122.478 122.820 -0.186 0.000 1.873 376 A HA 0.190 4.509 4.320 -0.001 0.000 0.215 376 A C 2.526 180.102 177.584 -0.013 0.000 1.186 376 A CA 2.040 54.074 52.037 -0.005 0.000 0.616 376 A CB -1.053 17.939 19.000 -0.013 0.000 0.823 376 A HN 1.075 nan 8.150 nan 0.000 0.442 377 A N 0.181 122.960 122.820 -0.069 0.000 1.902 377 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 377 A C 1.750 179.283 177.584 -0.085 0.000 1.181 377 A CA 1.947 53.940 52.037 -0.074 0.000 0.623 377 A CB -0.632 18.337 19.000 -0.052 0.000 0.818 377 A HN 0.467 nan 8.150 nan 0.000 0.443 378 D N -0.131 120.195 120.400 -0.122 0.000 2.117 378 D HA -0.127 4.513 4.640 -0.001 0.000 0.197 378 D C 1.935 178.038 176.300 -0.328 0.000 0.987 378 D CA 1.464 55.333 54.000 -0.218 0.000 0.829 378 D CB -0.271 40.363 40.800 -0.277 0.000 0.961 378 D HN 0.522 nan 8.370 nan 0.000 0.460 379 K N 0.120 120.400 120.400 -0.201 0.000 2.057 379 K HA -0.010 4.309 4.320 -0.001 0.000 0.206 379 K C 2.331 178.989 176.600 0.096 0.000 1.050 379 K CA 0.518 56.756 56.287 -0.080 0.000 0.935 379 K CB -0.114 32.596 32.500 0.350 0.000 0.715 379 K HN 0.120 nan 8.250 nan 0.000 0.439 380 L N 1.129 122.380 121.223 0.046 0.000 2.093 380 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 380 L C 2.162 179.047 176.870 0.026 0.000 1.085 380 L CA 1.259 56.096 54.840 -0.006 0.000 0.755 380 L CB -0.229 41.712 42.059 -0.197 0.000 0.904 380 L HN 0.094 nan 8.230 nan 0.000 0.435 381 K N -1.090 119.323 120.400 0.020 0.000 2.147 381 K HA -0.176 4.143 4.320 -0.001 0.000 0.205 381 K C 2.063 178.777 176.600 0.189 0.000 1.049 381 K CA 1.164 57.494 56.287 0.072 0.000 0.936 381 K CB -0.149 32.386 32.500 0.058 0.000 0.722 381 K HN 0.131 nan 8.250 nan 0.000 0.446 382 Y N 0.801 121.075 120.300 -0.043 0.000 2.293 382 Y HA -0.177 4.373 4.550 -0.001 0.000 0.291 382 Y C 2.222 178.163 175.900 0.067 0.000 1.137 382 Y CA 0.139 58.241 58.100 0.004 0.000 1.202 382 Y CB -0.650 37.671 38.460 -0.231 0.000 0.990 382 Y HN -0.214 nan 8.280 nan 0.000 0.537 383 V N 0.109 120.163 119.914 0.233 0.000 2.282 383 V HA -0.341 3.779 4.120 -0.001 0.000 0.249 383 V C 2.407 178.513 176.094 0.020 0.000 1.057 383 V CA 1.923 64.299 62.300 0.127 0.000 1.032 383 V CB -0.903 30.991 31.823 0.119 0.000 0.645 383 V HN 0.339 nan 8.190 nan 0.000 0.447 384 L N 0.124 121.362 121.223 0.026 0.000 2.093 384 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 384 L C 2.493 179.347 176.870 -0.026 0.000 1.085 384 L CA 1.791 56.625 54.840 -0.011 0.000 0.755 384 L CB -0.835 41.222 42.059 -0.002 0.000 0.904 384 L HN 0.493 nan 8.230 nan 0.000 0.435 385 N N 1.018 119.721 118.700 0.005 0.000 2.188 385 N HA -0.159 4.580 4.740 -0.001 0.000 0.184 385 N C 1.940 177.394 175.510 -0.093 0.000 1.018 385 N CA 0.963 54.010 53.050 -0.004 0.000 0.858 385 N CB 0.097 38.608 38.487 0.041 0.000 0.989 385 N HN 0.319 nan 8.380 nan 0.000 0.426 386 L N 0.159 121.261 121.223 -0.202 0.000 2.362 386 L HA -0.014 4.326 4.340 -0.001 0.000 0.219 386 L C 1.473 178.155 176.870 -0.314 0.000 1.134 386 L CA 0.855 55.466 54.840 -0.382 0.000 0.807 386 L CB -0.426 41.363 42.059 -0.451 0.000 0.927 386 L HN 0.387 nan 8.230 nan 0.000 0.447 387 G N 0.069 108.747 108.800 -0.203 0.000 2.143 387 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.248 387 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.248 387 G C 0.265 175.040 174.900 -0.207 0.000 0.991 387 G CA -0.094 44.895 45.100 -0.185 0.000 0.689 387 G HN 0.226 nan 8.290 nan 0.000 0.522 388 L N 0.067 121.166 121.223 -0.207 0.000 2.464 388 L HA 0.334 4.674 4.340 -0.001 0.000 0.264 388 L C 1.561 178.384 176.870 -0.079 0.000 1.199 388 L CA 0.120 54.861 54.840 -0.164 0.000 0.818 388 L CB 0.593 42.573 42.059 -0.132 0.000 1.102 388 L HN 0.375 nan 8.230 nan 0.000 0.473 389 N N -1.666 117.004 118.700 -0.048 0.000 2.227 389 N HA 0.045 4.784 4.740 -0.001 0.000 0.196 389 N C -0.236 175.286 175.510 0.020 0.000 1.142 389 N CA -0.130 52.911 53.050 -0.014 0.000 0.887 389 N CB 0.734 39.212 38.487 -0.015 0.000 1.022 389 N HN 0.488 nan 8.380 nan 0.000 0.500 390 T N 0.238 114.807 114.554 0.025 0.000 2.916 390 T HA 0.596 4.945 4.350 -0.001 0.000 0.305 390 T C -0.981 173.765 174.700 0.077 0.000 1.119 390 T CA -0.788 61.340 62.100 0.047 0.000 1.008 390 T CB 2.395 71.278 68.868 0.024 0.000 1.129 390 T HN 0.104 nan 8.240 nan 0.000 0.480 391 V N 0.316 120.288 119.914 0.096 0.000 2.604 391 V HA 0.768 4.888 4.120 -0.001 0.000 0.305 391 V C -0.274 175.903 176.094 0.139 0.000 1.043 391 V CA -1.242 61.142 62.300 0.140 0.000 0.888 391 V CB 1.717 33.650 31.823 0.184 0.000 0.995 391 V HN 0.882 nan 8.190 nan 0.000 0.429 392 R N 3.109 123.700 120.500 0.152 0.000 2.349 392 R HA 0.705 5.045 4.340 -0.001 0.000 0.299 392 R C -1.452 174.944 176.300 0.161 0.000 1.027 392 R CA -0.710 55.472 56.100 0.137 0.000 0.958 392 R CB 1.257 31.646 30.300 0.149 0.000 1.047 392 R HN 0.803 nan 8.270 nan 0.000 0.468 393 L N 4.095 125.393 121.223 0.125 0.000 2.313 393 L HA 0.283 4.622 4.340 -0.001 0.000 0.273 393 L C -0.110 176.827 176.870 0.111 0.000 1.028 393 L CA 0.011 54.943 54.840 0.153 0.000 0.871 393 L CB 1.430 43.565 42.059 0.126 0.000 1.242 393 L HN 0.621 nan 8.230 nan 0.000 0.434 394 E N 3.435 123.787 120.200 0.254 0.000 1.944 394 E HA 0.436 4.785 4.350 -0.001 0.000 0.272 394 E C 0.857 177.636 176.600 0.298 0.000 1.195 394 E CA 0.405 56.970 56.400 0.274 0.000 0.926 394 E CB 0.167 30.186 29.700 0.532 0.000 1.051 394 E HN 0.733 nan 8.360 nan 0.000 0.404 395 G N 4.245 113.077 108.800 0.055 0.000 2.645 395 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.246 395 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.246 395 G C -0.173 174.811 174.900 0.140 0.000 1.322 395 G CA 0.050 45.140 45.100 -0.016 0.000 0.898 395 G HN 0.995 nan 8.290 nan 0.000 0.573 396 H N -2.093 117.026 119.070 0.081 0.000 2.655 396 H HA -0.160 4.396 4.556 -0.001 0.000 0.313 396 H C 1.079 176.504 175.328 0.160 0.000 1.141 396 H CA 0.834 56.915 56.048 0.056 0.000 1.138 396 H CB -1.958 27.750 29.762 -0.090 0.000 1.446 396 H HN 0.735 nan 8.280 nan 0.000 0.415 397 I N 1.101 121.881 120.570 0.349 0.000 2.581 397 I HA -0.030 4.140 4.170 -0.001 0.000 0.285 397 I C 1.153 177.449 176.117 0.297 0.000 1.129 397 I CA 0.294 61.778 61.300 0.306 0.000 1.397 397 I CB 0.324 38.461 38.000 0.227 0.000 1.399 397 I HN 0.252 nan 8.210 nan 0.000 0.537 398 E N 7.868 128.174 120.200 0.177 0.000 2.408 398 E HA 0.190 4.539 4.350 -0.001 0.000 0.259 398 E C -2.070 174.639 176.600 0.180 0.000 1.110 398 E CA -1.407 55.028 56.400 0.059 0.000 0.929 398 E CB 0.236 29.658 29.700 -0.463 0.000 0.971 398 E HN 0.308 nan 8.360 nan 0.000 0.438 399 P HA -0.027 nan 4.420 nan 0.000 0.270 399 P C 0.174 177.510 177.300 0.059 0.000 1.227 399 P CA -0.093 62.935 63.100 -0.119 0.000 0.788 399 P CB 0.460 31.795 31.700 -0.608 0.000 0.926 400 D N 0.672 121.112 120.400 0.067 0.000 2.133 400 D HA -0.205 4.434 4.640 -0.001 0.000 0.192 400 D C 1.566 177.972 176.300 0.178 0.000 1.001 400 D CA 1.708 55.808 54.000 0.167 0.000 0.844 400 D CB -0.519 40.364 40.800 0.138 0.000 0.944 400 D HN 0.511 nan 8.370 nan 0.000 0.447 401 E N -0.173 120.097 120.200 0.117 0.000 2.147 401 E HA -0.190 4.159 4.350 -0.001 0.000 0.199 401 E C 1.825 178.590 176.600 0.274 0.000 1.005 401 E CA 0.609 57.138 56.400 0.215 0.000 0.810 401 E CB -0.447 29.451 29.700 0.329 0.000 0.736 401 E HN 0.352 nan 8.360 nan 0.000 0.460 402 F N 0.048 120.103 119.950 0.174 0.000 2.091 402 F HA -0.236 4.290 4.527 -0.001 0.000 0.299 402 F C 1.653 177.308 175.800 -0.242 0.000 1.103 402 F CA 1.528 59.539 58.000 0.018 0.000 1.228 402 F CB -0.197 38.736 39.000 -0.111 0.000 0.984 402 F HN -0.028 nan 8.300 nan 0.000 0.477 403 F N 0.476 120.397 119.950 -0.047 0.000 2.259 403 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 403 F C 2.336 177.939 175.800 -0.329 0.000 1.088 403 F CA 1.235 59.031 58.000 -0.340 0.000 1.358 403 F CB -0.830 37.773 39.000 -0.662 0.000 1.040 403 F HN -0.060 nan 8.300 nan 0.000 0.505 404 D N 0.703 121.094 120.400 -0.014 0.000 2.104 404 D HA -0.181 4.458 4.640 -0.001 0.000 0.194 404 D C 2.403 178.732 176.300 0.049 0.000 0.994 404 D CA 1.482 55.552 54.000 0.116 0.000 0.830 404 D CB -0.442 40.451 40.800 0.154 0.000 0.959 404 D HN 0.245 nan 8.370 nan 0.000 0.452 405 I N 1.310 121.861 120.570 -0.031 0.000 2.142 405 I HA -0.269 3.900 4.170 -0.001 0.000 0.240 405 I C 2.596 178.639 176.117 -0.123 0.000 1.078 405 I CA 1.177 62.428 61.300 -0.081 0.000 1.343 405 I CB -0.306 37.618 38.000 -0.126 0.000 1.046 405 I HN -0.084 nan 8.210 nan 0.000 0.405 406 A N 0.681 123.338 122.820 -0.273 0.000 1.908 406 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 406 A C 1.940 179.578 177.584 0.090 0.000 1.181 406 A CA 2.297 54.213 52.037 -0.202 0.000 0.627 406 A CB -0.710 18.060 19.000 -0.383 0.000 0.818 406 A HN 0.387 nan 8.150 nan 0.000 0.445 407 D N 0.275 120.758 120.400 0.139 0.000 2.104 407 D HA -0.134 4.506 4.640 -0.001 0.000 0.194 407 D C 1.357 177.928 176.300 0.450 0.000 0.994 407 D CA 1.540 55.733 54.000 0.321 0.000 0.830 407 D CB -0.500 40.407 40.800 0.177 0.000 0.959 407 D HN 0.390 nan 8.370 nan 0.000 0.452 408 D N -0.129 120.399 120.400 0.214 0.000 2.178 408 D HA -0.048 4.591 4.640 -0.001 0.000 0.202 408 D C 2.108 178.463 176.300 0.091 0.000 0.974 408 D CA 0.386 54.471 54.000 0.142 0.000 0.841 408 D CB -0.059 40.782 40.800 0.068 0.000 0.953 408 D HN 0.249 nan 8.370 nan 0.000 0.478 409 L N -0.902 120.364 121.223 0.072 0.000 2.477 409 L HA 0.184 4.523 4.340 -0.001 0.000 0.220 409 L C 1.306 178.180 176.870 0.008 0.000 1.106 409 L CA 0.412 55.263 54.840 0.019 0.000 0.851 409 L CB 0.069 42.120 42.059 -0.012 0.000 0.994 409 L HN 0.090 nan 8.230 nan 0.000 0.462 410 G N 0.878 109.731 108.800 0.090 0.000 2.182 410 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.248 410 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.248 410 G C -0.050 174.913 174.900 0.104 0.000 1.042 410 G CA -0.015 45.074 45.100 -0.019 0.000 0.775 410 G HN 0.092 nan 8.290 nan 0.000 0.501 411 V N 1.438 121.452 119.914 0.165 0.000 2.407 411 V HA 0.539 4.658 4.120 -0.001 0.000 0.278 411 V C 1.107 177.306 176.094 0.175 0.000 1.037 411 V CA -0.690 61.671 62.300 0.102 0.000 0.900 411 V CB 1.462 33.283 31.823 -0.003 0.000 0.983 411 V HN 0.360 nan 8.190 nan 0.000 0.459 412 L N 4.739 126.062 121.223 0.167 0.000 2.436 412 L HA 0.578 4.918 4.340 -0.001 0.000 0.265 412 L C 0.607 177.546 176.870 0.115 0.000 1.168 412 L CA -0.017 54.926 54.840 0.172 0.000 0.815 412 L CB 1.266 43.406 42.059 0.136 0.000 1.109 412 L HN 0.819 nan 8.230 nan 0.000 0.462 413 T N -0.187 114.451 114.554 0.139 0.000 2.876 413 T HA 0.652 5.002 4.350 -0.001 0.000 0.289 413 T C -0.464 174.332 174.700 0.161 0.000 1.014 413 T CA -0.821 61.383 62.100 0.174 0.000 0.986 413 T CB 1.589 70.633 68.868 0.294 0.000 1.021 413 T HN 0.478 nan 8.240 nan 0.000 0.458 414 M N 3.874 123.553 119.600 0.132 0.000 2.386 414 M HA 0.318 4.798 4.480 -0.001 0.000 0.245 414 M C -2.550 173.766 176.300 0.026 0.000 0.982 414 M CA -1.903 53.453 55.300 0.094 0.000 0.860 414 M CB 1.408 34.057 32.600 0.080 0.000 1.371 414 M HN 0.459 nan 8.290 nan 0.000 0.425 415 P HA 0.604 nan 4.420 nan 0.000 0.276 415 P C -0.083 176.709 177.300 -0.846 0.000 1.252 415 P CA 0.165 63.127 63.100 -0.229 0.000 0.802 415 P CB 1.768 33.438 31.700 -0.051 0.000 1.035 416 G N -0.262 107.882 108.800 -1.094 0.000 2.342 416 G HA2 0.331 4.290 3.960 -0.001 0.000 0.297 416 G HA3 0.331 4.290 3.960 -0.001 0.000 0.297 416 G C -1.966 172.335 174.900 -0.999 0.000 1.313 416 G CA -0.982 43.115 45.100 -1.672 0.000 0.830 416 G HN 0.402 nan 8.290 nan 0.000 0.506 417 W N 1.147 122.095 121.300 -0.588 0.000 2.215 417 W HA 0.502 5.161 4.660 -0.001 0.000 0.342 417 W C 1.071 177.405 176.519 -0.309 0.000 1.237 417 W CA -0.602 56.395 57.345 -0.579 0.000 1.283 417 W CB 0.796 29.923 29.460 -0.555 0.000 1.131 417 W HN 0.668 nan 8.180 nan 0.000 0.606 418 E N 0.894 121.088 120.200 -0.011 0.000 2.250 418 E HA 0.433 4.783 4.350 -0.001 0.000 0.265 418 E C 0.005 176.705 176.600 0.166 0.000 1.033 418 E CA -0.888 55.557 56.400 0.074 0.000 0.888 418 E CB 1.151 30.848 29.700 -0.005 0.000 1.151 418 E HN 0.552 nan 8.360 nan 0.000 0.412 419 C N -0.708 118.691 119.300 0.166 0.000 2.411 419 C HA 0.484 4.943 4.460 -0.001 0.000 0.358 419 C C 0.988 176.072 174.990 0.158 0.000 1.349 419 C CA -0.058 59.072 59.018 0.187 0.000 2.326 419 C CB -0.331 27.508 27.740 0.164 0.000 2.166 419 C HN 1.029 nan 8.230 nan 0.000 0.609 420 C N 1.705 121.100 119.300 0.159 0.000 4.397 420 C HA -0.045 4.414 4.460 -0.001 0.000 0.291 420 C C 0.075 175.112 174.990 0.079 0.000 1.408 420 C CA 1.446 60.528 59.018 0.107 0.000 1.971 420 C CB -3.609 24.186 27.740 0.091 0.000 1.258 420 C HN 1.215 nan 8.230 nan 0.000 0.795 421 D N -1.650 118.814 120.400 0.107 0.000 3.831 421 D HA 0.349 4.988 4.640 -0.001 0.000 0.327 421 D C 0.620 176.972 176.300 0.086 0.000 1.505 421 D CA 0.005 54.049 54.000 0.073 0.000 0.976 421 D CB -0.105 40.725 40.800 0.050 0.000 1.421 421 D HN -0.132 nan 8.370 nan 0.000 0.624 422 K N -0.483 119.921 120.400 0.008 0.000 2.097 422 K HA 0.009 4.328 4.320 -0.001 0.000 0.206 422 K C 1.852 178.482 176.600 0.050 0.000 1.049 422 K CA 1.644 57.882 56.287 -0.082 0.000 0.933 422 K CB -0.664 31.643 32.500 -0.321 0.000 0.717 422 K HN 0.496 nan 8.250 nan 0.000 0.442 423 W N 1.345 122.724 121.300 0.131 0.000 2.318 423 W HA -0.150 4.509 4.660 -0.001 0.000 0.313 423 W C 1.521 178.198 176.519 0.264 0.000 1.221 423 W CA 1.604 59.082 57.345 0.221 0.000 1.266 423 W CB -0.151 29.358 29.460 0.082 0.000 1.150 423 W HN 0.191 nan 8.180 nan 0.000 0.496 424 E N -0.599 119.812 120.200 0.351 0.000 2.444 424 E HA 0.090 4.439 4.350 -0.001 0.000 0.191 424 E C 2.150 178.760 176.600 0.016 0.000 1.041 424 E CA 0.204 56.710 56.400 0.176 0.000 0.883 424 E CB 0.029 29.868 29.700 0.231 0.000 1.024 424 E HN 0.314 nan 8.360 nan 0.000 0.470 425 G N 1.358 110.211 108.800 0.089 0.000 2.471 425 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.219 425 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.219 425 G C 1.587 176.439 174.900 -0.080 0.000 1.125 425 G CA 0.400 45.523 45.100 0.038 0.000 0.775 425 G HN 0.119 nan 8.290 nan 0.000 0.548 426 Q N 0.368 119.993 119.800 -0.292 0.000 2.398 426 Q HA 0.073 4.412 4.340 -0.001 0.000 0.204 426 Q C 2.055 177.873 176.000 -0.304 0.000 0.932 426 Q CA 1.210 56.779 55.803 -0.390 0.000 0.916 426 Q CB 0.172 28.371 28.738 -0.899 0.000 1.024 426 Q HN 0.443 nan 8.270 nan 0.000 0.504 427 V N -3.250 116.483 119.914 -0.301 0.000 3.432 427 V HA 0.375 4.494 4.120 -0.001 0.000 0.298 427 V C 1.311 177.091 176.094 -0.525 0.000 1.464 427 V CA 0.270 62.403 62.300 -0.278 0.000 1.046 427 V CB 0.118 31.852 31.823 -0.148 0.000 0.887 427 V HN 0.073 nan 8.190 nan 0.000 0.441 428 N N 1.425 119.806 118.700 -0.531 0.000 2.376 428 N HA 0.222 4.962 4.740 -0.001 0.000 0.177 428 N C 1.536 176.667 175.510 -0.632 0.000 1.024 428 N CA 1.534 54.130 53.050 -0.758 0.000 0.893 428 N CB 0.759 39.060 38.487 -0.311 0.000 0.980 428 N HN 0.787 nan 8.380 nan 0.000 0.439 429 G N 1.034 109.612 108.800 -0.371 0.000 2.557 429 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.292 429 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.292 429 G C -0.396 174.421 174.900 -0.139 0.000 1.162 429 G CA 0.539 45.509 45.100 -0.217 0.000 0.964 429 G HN 0.408 nan 8.290 nan 0.000 0.541 430 E N 3.019 123.159 120.200 -0.100 0.000 2.354 430 E HA 0.338 4.687 4.350 -0.001 0.000 0.252 430 E C 1.201 177.774 176.600 -0.045 0.000 1.330 430 E CA 0.778 57.145 56.400 -0.055 0.000 1.658 430 E CB -0.428 29.255 29.700 -0.029 0.000 1.460 430 E HN 0.897 nan 8.360 nan 0.000 0.435 431 E N 0.835 120.998 120.200 -0.062 0.000 2.726 431 E HA 0.125 4.474 4.350 -0.001 0.000 0.329 431 E C 1.050 177.644 176.600 -0.010 0.000 0.595 431 E CA -0.131 56.251 56.400 -0.030 0.000 1.965 431 E CB 0.183 29.860 29.700 -0.039 0.000 1.717 431 E HN 0.089 nan 8.360 nan 0.000 0.531 432 K N -0.542 119.857 120.400 -0.002 0.000 2.645 432 K HA 0.170 4.489 4.320 -0.001 0.000 0.203 432 K C 0.494 177.093 176.600 -0.001 0.000 1.653 432 K CA 0.463 56.751 56.287 0.001 0.000 1.138 432 K CB 1.272 33.779 32.500 0.011 0.000 1.515 432 K HN 0.318 nan 8.250 nan 0.000 0.592 433 G N 1.787 110.591 108.800 0.007 0.000 2.491 433 G HA2 0.083 4.043 3.960 -0.001 0.000 0.242 433 G HA3 0.083 4.043 3.960 -0.001 0.000 0.242 433 G C -0.609 174.296 174.900 0.008 0.000 1.266 433 G CA -0.075 45.030 45.100 0.010 0.000 0.844 433 G HN 0.192 nan 8.290 nan 0.000 0.571 434 E N 2.390 122.592 120.200 0.004 0.000 2.301 434 E HA 0.196 4.545 4.350 -0.001 0.000 0.275 434 E C -2.095 174.551 176.600 0.078 0.000 1.030 434 E CA -1.520 54.886 56.400 0.009 0.000 0.852 434 E CB 1.033 30.717 29.700 -0.027 0.000 1.060 434 E HN 0.257 nan 8.360 nan 0.000 0.401 435 P HA -0.106 nan 4.420 nan 0.000 0.267 435 P C -0.950 176.479 177.300 0.215 0.000 1.201 435 P CA 0.183 63.342 63.100 0.099 0.000 0.775 435 P CB 0.366 32.090 31.700 0.040 0.000 0.854 436 W N 1.351 122.575 121.300 -0.128 0.000 2.313 436 W HA 0.389 5.048 4.660 -0.001 0.000 0.328 436 W C 0.075 176.562 176.519 -0.052 0.000 1.197 436 W CA -0.341 56.891 57.345 -0.188 0.000 1.235 436 W CB 0.099 29.302 29.460 -0.429 0.000 1.158 436 W HN 0.136 nan 8.180 nan 0.000 0.578 437 V N -0.248 119.742 119.914 0.128 0.000 3.177 437 V HA 0.467 4.586 4.120 -0.001 0.000 0.319 437 V C 0.938 177.172 176.094 0.234 0.000 1.125 437 V CA -0.706 61.676 62.300 0.137 0.000 1.029 437 V CB 1.654 33.492 31.823 0.025 0.000 1.119 437 V HN 0.552 nan 8.190 nan 0.000 0.452 438 E N 1.332 121.649 120.200 0.195 0.000 2.118 438 E HA -0.152 4.197 4.350 -0.001 0.000 0.195 438 E C 2.237 178.950 176.600 0.189 0.000 0.992 438 E CA 1.938 58.470 56.400 0.220 0.000 0.804 438 E CB -0.353 29.390 29.700 0.072 0.000 0.741 438 E HN 1.006 nan 8.360 nan 0.000 0.458 439 S N 0.539 116.266 115.700 0.045 0.000 2.555 439 S HA -0.071 4.399 4.470 -0.001 0.000 0.230 439 S C 1.259 175.778 174.600 -0.135 0.000 0.978 439 S CA 0.583 58.761 58.200 -0.037 0.000 0.934 439 S CB 0.091 63.244 63.200 -0.077 0.000 0.766 439 S HN 0.019 nan 8.310 nan 0.000 0.533 440 D N 0.746 121.016 120.400 -0.218 0.000 2.194 440 D HA 0.022 4.662 4.640 -0.001 0.000 0.204 440 D C 1.304 177.247 176.300 -0.595 0.000 0.964 440 D CA 0.905 54.535 54.000 -0.616 0.000 0.846 440 D CB -0.294 39.882 40.800 -1.040 0.000 0.962 440 D HN 0.510 nan 8.370 nan 0.000 0.490 441 Y N 0.698 120.920 120.300 -0.130 0.000 2.163 441 Y HA -0.074 4.475 4.550 -0.001 0.000 0.288 441 Y C -0.398 175.487 175.900 -0.025 0.000 1.136 441 Y CA 1.050 59.175 58.100 0.041 0.000 1.147 441 Y CB -1.619 36.903 38.460 0.103 0.000 0.987 441 Y HN 0.112 nan 8.280 nan 0.000 0.509 442 P HA -0.191 nan 4.420 nan 0.000 0.216 442 P C 1.390 178.679 177.300 -0.019 0.000 1.153 442 P CA 1.751 64.867 63.100 0.026 0.000 0.858 442 P CB -0.091 31.610 31.700 0.002 0.000 0.789 443 I N -0.653 119.853 120.570 -0.106 0.000 2.179 443 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 443 I C 2.394 178.444 176.117 -0.111 0.000 1.088 443 I CA 1.568 62.783 61.300 -0.142 0.000 1.357 443 I CB -0.933 36.904 38.000 -0.272 0.000 1.051 443 I HN -0.103 nan 8.210 nan 0.000 0.409 444 A N 0.701 123.401 122.820 -0.200 0.000 1.902 444 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 444 A C 2.391 180.174 177.584 0.333 0.000 1.181 444 A CA 2.065 54.118 52.037 0.026 0.000 0.623 444 A CB -0.564 18.470 19.000 0.055 0.000 0.818 444 A HN 0.384 nan 8.150 nan 0.000 0.443 445 K N -0.380 120.156 120.400 0.227 0.000 2.097 445 K HA -0.022 4.297 4.320 -0.001 0.000 0.205 445 K C 2.054 178.794 176.600 0.232 0.000 1.050 445 K CA 1.160 57.603 56.287 0.259 0.000 0.938 445 K CB -0.308 32.285 32.500 0.155 0.000 0.718 445 K HN 0.350 nan 8.250 nan 0.000 0.442 446 A N 0.340 123.250 122.820 0.150 0.000 1.969 446 A HA -0.074 4.246 4.320 -0.001 0.000 0.218 446 A C 2.065 179.762 177.584 0.187 0.000 1.169 446 A CA 1.706 53.821 52.037 0.129 0.000 0.635 446 A CB -0.370 18.657 19.000 0.044 0.000 0.810 446 A HN 0.340 nan 8.150 nan 0.000 0.445 447 S N -0.808 115.024 115.700 0.221 0.000 2.368 447 S HA -0.148 4.321 4.470 -0.001 0.000 0.224 447 S C 1.977 176.764 174.600 0.311 0.000 1.029 447 S CA 1.725 60.107 58.200 0.303 0.000 0.988 447 S CB -0.331 63.092 63.200 0.372 0.000 0.838 447 S HN 0.562 nan 8.310 nan 0.000 0.462 448 M N 1.141 120.949 119.600 0.345 0.000 2.080 448 M HA -0.054 4.425 4.480 -0.001 0.000 0.260 448 M C 1.725 177.991 176.300 -0.057 0.000 1.068 448 M CA 1.483 56.872 55.300 0.148 0.000 1.109 448 M CB -0.708 32.057 32.600 0.275 0.000 1.342 448 M HN 0.307 nan 8.290 nan 0.000 0.405 449 F N -0.092 119.833 119.950 -0.041 0.000 2.095 449 F HA -0.227 4.300 4.527 -0.001 0.000 0.298 449 F C 2.241 177.964 175.800 -0.129 0.000 1.104 449 F CA 2.179 60.122 58.000 -0.094 0.000 1.232 449 F CB -0.764 38.206 39.000 -0.050 0.000 0.987 449 F HN 0.168 nan 8.300 nan 0.000 0.475 450 S N 0.092 115.778 115.700 -0.023 0.000 2.356 450 S HA -0.175 4.294 4.470 -0.001 0.000 0.223 450 S C 1.857 176.338 174.600 -0.198 0.000 1.032 450 S CA 1.331 59.471 58.200 -0.101 0.000 1.005 450 S CB -0.364 62.858 63.200 0.037 0.000 0.867 450 S HN 0.401 nan 8.310 nan 0.000 0.449 451 E N 1.560 121.648 120.200 -0.187 0.000 2.077 451 E HA -0.041 4.309 4.350 -0.001 0.000 0.193 451 E C 2.313 178.599 176.600 -0.524 0.000 0.989 451 E CA 1.101 57.306 56.400 -0.324 0.000 0.800 451 E CB -0.536 28.903 29.700 -0.436 0.000 0.746 451 E HN 0.485 nan 8.360 nan 0.000 0.452 452 A N 1.237 123.646 122.820 -0.685 0.000 1.972 452 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 452 A C 2.104 179.427 177.584 -0.434 0.000 1.169 452 A CA 1.653 53.230 52.037 -0.767 0.000 0.635 452 A CB -0.391 18.133 19.000 -0.793 0.000 0.810 452 A HN 0.299 nan 8.150 nan 0.000 0.446 453 E N -0.275 119.603 120.200 -0.538 0.000 2.107 453 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 453 E C 2.185 178.616 176.600 -0.282 0.000 0.982 453 E CA 0.701 56.804 56.400 -0.496 0.000 0.809 453 E CB -0.071 29.212 29.700 -0.695 0.000 0.756 453 E HN 0.609 nan 8.360 nan 0.000 0.459 454 R N -0.045 120.321 120.500 -0.222 0.000 2.073 454 R HA -0.009 4.330 4.340 -0.001 0.000 0.229 454 R C 2.425 178.685 176.300 -0.067 0.000 1.120 454 R CA 1.097 57.128 56.100 -0.115 0.000 0.967 454 R CB -0.053 30.187 30.300 -0.099 0.000 0.862 454 R HN 0.246 nan 8.270 nan 0.000 0.436 455 L N 0.720 121.870 121.223 -0.121 0.000 2.375 455 L HA 0.050 4.390 4.340 -0.001 0.000 0.215 455 L C 2.440 179.347 176.870 0.062 0.000 1.108 455 L CA 0.335 55.140 54.840 -0.058 0.000 0.830 455 L CB -0.295 41.686 42.059 -0.130 0.000 0.959 455 L HN 0.178 nan 8.230 nan 0.000 0.457 456 R N -0.107 120.427 120.500 0.056 0.000 2.105 456 R HA -0.165 4.174 4.340 -0.001 0.000 0.239 456 R C 0.576 176.810 176.300 -0.110 0.000 1.135 456 R CA 1.768 57.870 56.100 0.004 0.000 0.967 456 R CB -0.489 29.800 30.300 -0.019 0.000 0.861 456 R HN 0.205 nan 8.270 nan 0.000 0.442 457 D N 0.055 120.363 120.400 -0.152 0.000 2.340 457 D HA 0.076 4.715 4.640 -0.001 0.000 0.217 457 D C -0.410 175.720 176.300 -0.284 0.000 1.081 457 D CA 0.210 54.103 54.000 -0.180 0.000 0.842 457 D CB 0.096 40.813 40.800 -0.139 0.000 0.934 457 D HN 0.262 nan 8.370 nan 0.000 0.511 458 H N 1.081 120.090 119.070 -0.101 0.000 2.705 458 H HA 0.119 4.674 4.556 -0.001 0.000 0.291 458 H C -1.382 173.784 175.328 -0.269 0.000 1.085 458 H CA -1.536 54.429 56.048 -0.138 0.000 1.357 458 H CB 1.395 31.120 29.762 -0.061 0.000 1.419 458 H HN 0.014 nan 8.280 nan 0.000 0.462 459 P HA -0.134 nan 4.420 nan 0.000 0.223 459 P C 1.432 178.136 177.300 -0.992 0.000 1.151 459 P CA 0.813 63.416 63.100 -0.828 0.000 0.787 459 P CB 0.329 31.143 31.700 -1.476 0.000 0.788 460 S N -0.744 114.563 115.700 -0.656 0.000 2.402 460 S HA -0.045 4.425 4.470 -0.001 0.000 0.229 460 S C 1.103 175.713 174.600 0.017 0.000 1.021 460 S CA 0.313 58.410 58.200 -0.171 0.000 0.974 460 S CB -1.543 61.712 63.200 0.091 0.000 0.800 460 S HN -0.063 nan 8.310 nan 0.000 0.484 461 V N 3.860 123.796 119.914 0.037 0.000 2.485 461 V HA 0.133 4.252 4.120 -0.001 0.000 0.287 461 V C 1.268 177.394 176.094 0.052 0.000 1.022 461 V CA 0.302 62.663 62.300 0.102 0.000 1.067 461 V CB 0.196 32.079 31.823 0.100 0.000 0.967 461 V HN 0.643 nan 8.190 nan 0.000 0.479 462 I N 2.184 122.817 120.570 0.106 0.000 4.070 462 I HA 0.387 4.556 4.170 -0.001 0.000 0.328 462 I C 0.650 176.906 176.117 0.231 0.000 1.298 462 I CA 0.131 61.515 61.300 0.140 0.000 1.173 462 I CB 0.493 38.565 38.000 0.120 0.000 1.051 462 I HN 0.648 nan 8.210 nan 0.000 0.409 463 S N -0.237 115.591 115.700 0.214 0.000 2.643 463 S HA 0.553 5.022 4.470 -0.001 0.000 0.266 463 S C -1.442 173.323 174.600 0.276 0.000 1.130 463 S CA -0.716 57.617 58.200 0.222 0.000 0.817 463 S CB 1.632 64.965 63.200 0.221 0.000 1.107 463 S HN 0.178 nan 8.310 nan 0.000 0.471 464 F N 1.621 121.626 119.950 0.093 0.000 2.518 464 F HA 0.477 5.003 4.527 -0.001 0.000 0.323 464 F C -0.138 175.554 175.800 -0.180 0.000 1.129 464 F CA -0.365 57.587 58.000 -0.079 0.000 0.920 464 F CB 1.511 40.357 39.000 -0.256 0.000 1.160 464 F HN 0.738 nan 8.300 nan 0.000 0.440 465 H N 7.849 126.594 119.070 -0.540 0.000 2.846 465 H HA 0.217 4.772 4.556 -0.001 0.000 0.278 465 H C 1.238 176.346 175.328 -0.368 0.000 1.117 465 H CA 0.273 56.111 56.048 -0.350 0.000 1.406 465 H CB 1.133 30.692 29.762 -0.338 0.000 1.445 465 H HN 0.785 nan 8.280 nan 0.000 0.469 466 I N 0.517 121.104 120.570 0.027 0.000 3.428 466 I HA 0.245 4.415 4.170 -0.001 0.000 0.286 466 I C 0.909 177.234 176.117 0.347 0.000 1.287 466 I CA 0.156 61.551 61.300 0.157 0.000 1.396 466 I CB 0.484 38.635 38.000 0.251 0.000 1.062 466 I HN 0.304 nan 8.210 nan 0.000 0.471 467 G N -0.442 108.505 108.800 0.244 0.000 2.725 467 G HA2 0.509 4.469 3.960 -0.001 0.000 0.288 467 G HA3 0.509 4.469 3.960 -0.001 0.000 0.288 467 G C -0.742 174.278 174.900 0.199 0.000 1.399 467 G CA 0.189 45.448 45.100 0.265 0.000 0.859 467 G HN 0.022 nan 8.290 nan 0.000 0.479 468 S N -1.431 114.371 115.700 0.170 0.000 3.252 468 S HA 0.252 4.721 4.470 -0.001 0.000 0.175 468 S C 1.447 176.063 174.600 0.026 0.000 0.799 468 S CA 1.159 59.410 58.200 0.085 0.000 0.985 468 S CB -0.696 62.546 63.200 0.070 0.000 1.036 468 S HN 0.735 nan 8.310 nan 0.000 0.821 469 E N -0.053 120.147 120.200 0.001 0.000 2.840 469 E HA -0.271 4.078 4.350 -0.001 0.000 0.222 469 E C -0.633 175.831 176.600 -0.226 0.000 0.868 469 E CA 2.204 58.562 56.400 -0.070 0.000 1.266 469 E CB -0.445 29.253 29.700 -0.003 0.000 1.318 469 E HN 0.431 nan 8.360 nan 0.000 0.486 470 F N -0.564 119.423 119.950 0.062 0.000 2.425 470 F HA 0.497 5.023 4.527 -0.001 0.000 0.331 470 F C 0.516 176.363 175.800 0.079 0.000 1.085 470 F CA -0.469 57.564 58.000 0.054 0.000 1.028 470 F CB 1.495 40.513 39.000 0.031 0.000 1.177 470 F HN 0.208 nan 8.300 nan 0.000 0.487 471 A N 3.395 126.345 122.820 0.217 0.000 2.322 471 A HA 0.605 4.925 4.320 -0.001 0.000 0.269 471 A C -2.376 175.313 177.584 0.174 0.000 1.094 471 A CA -1.522 50.619 52.037 0.174 0.000 0.807 471 A CB -0.299 18.773 19.000 0.119 0.000 1.047 471 A HN 0.442 nan 8.150 nan 0.000 0.487 472 P HA 0.160 nan 4.420 nan 0.000 0.272 472 P C -0.744 176.581 177.300 0.041 0.000 1.230 472 P CA -0.196 62.971 63.100 0.113 0.000 0.788 472 P CB 0.411 32.227 31.700 0.194 0.000 0.949 473 D N 0.484 120.861 120.400 -0.039 0.000 2.414 473 D HA 0.046 4.685 4.640 -0.001 0.000 0.251 473 D C 1.333 177.620 176.300 -0.022 0.000 1.252 473 D CA -0.401 53.578 54.000 -0.034 0.000 0.999 473 D CB 0.403 41.162 40.800 -0.069 0.000 1.093 473 D HN 0.336 nan 8.370 nan 0.000 0.515 474 R N -0.516 119.974 120.500 -0.017 0.000 2.081 474 R HA -0.131 4.209 4.340 -0.001 0.000 0.235 474 R C 2.312 178.599 176.300 -0.021 0.000 1.131 474 R CA 1.101 57.195 56.100 -0.010 0.000 0.960 474 R CB -0.109 30.184 30.300 -0.010 0.000 0.856 474 R HN 0.529 nan 8.270 nan 0.000 0.436 475 R N 0.428 120.908 120.500 -0.034 0.000 2.066 475 R HA -0.091 4.248 4.340 -0.001 0.000 0.232 475 R C 2.252 178.542 176.300 -0.017 0.000 1.131 475 R CA 1.810 57.888 56.100 -0.037 0.000 0.955 475 R CB -0.262 29.995 30.300 -0.071 0.000 0.851 475 R HN 0.284 nan 8.270 nan 0.000 0.432 476 I N 0.548 121.088 120.570 -0.049 0.000 2.202 476 I HA -0.233 3.937 4.170 -0.001 0.000 0.242 476 I C 2.557 178.496 176.117 -0.297 0.000 1.091 476 I CA 1.379 62.558 61.300 -0.202 0.000 1.368 476 I CB -0.391 37.373 38.000 -0.393 0.000 1.058 476 I HN 0.379 nan 8.210 nan 0.000 0.410 477 E N 0.760 120.901 120.200 -0.097 0.000 2.085 477 E HA -0.344 4.005 4.350 -0.001 0.000 0.194 477 E C 2.165 178.796 176.600 0.051 0.000 0.994 477 E CA 1.594 58.019 56.400 0.042 0.000 0.801 477 E CB 0.012 29.764 29.700 0.087 0.000 0.743 477 E HN 0.323 nan 8.360 nan 0.000 0.453 478 Q N 0.117 119.925 119.800 0.014 0.000 2.096 478 Q HA -0.113 4.226 4.340 -0.001 0.000 0.204 478 Q C 1.994 178.018 176.000 0.041 0.000 0.982 478 Q CA 2.163 57.984 55.803 0.030 0.000 0.850 478 Q CB -0.877 27.866 28.738 0.009 0.000 0.901 478 Q HN 0.366 nan 8.270 nan 0.000 0.422 479 G N -0.806 107.994 108.800 -0.000 0.000 2.476 479 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.218 479 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.218 479 G C 0.937 175.917 174.900 0.133 0.000 1.164 479 G CA 1.167 46.282 45.100 0.025 0.000 0.768 479 G HN 0.398 nan 8.290 nan 0.000 0.560 480 Y N 0.816 121.211 120.300 0.158 0.000 2.128 480 Y HA -0.016 4.534 4.550 -0.001 0.000 0.284 480 Y C 2.888 178.833 175.900 0.075 0.000 1.154 480 Y CA 0.493 58.678 58.100 0.142 0.000 1.149 480 Y CB -0.967 37.612 38.460 0.200 0.000 0.976 480 Y HN 0.086 nan 8.280 nan 0.000 0.505 481 L N -0.527 120.838 121.223 0.237 0.000 2.046 481 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 481 L C 2.044 178.986 176.870 0.119 0.000 1.077 481 L CA 1.512 56.440 54.840 0.147 0.000 0.747 481 L CB -0.628 41.500 42.059 0.115 0.000 0.896 481 L HN 0.124 nan 8.230 nan 0.000 0.432 482 D N 0.440 120.907 120.400 0.112 0.000 2.117 482 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 482 D C 2.257 178.630 176.300 0.120 0.000 0.987 482 D CA 1.557 55.613 54.000 0.093 0.000 0.829 482 D CB -0.079 40.762 40.800 0.068 0.000 0.961 482 D HN 0.303 nan 8.370 nan 0.000 0.460 483 A N 0.588 123.503 122.820 0.157 0.000 1.902 483 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 483 A C 2.283 179.974 177.584 0.179 0.000 1.181 483 A CA 1.477 53.644 52.037 0.217 0.000 0.623 483 A CB -0.582 18.566 19.000 0.247 0.000 0.818 483 A HN 0.155 nan 8.150 nan 0.000 0.443 484 M N -0.961 118.683 119.600 0.072 0.000 2.175 484 M HA -0.137 4.342 4.480 -0.001 0.000 0.264 484 M C 2.261 178.625 176.300 0.106 0.000 1.063 484 M CA 1.883 57.200 55.300 0.027 0.000 1.119 484 M CB -0.235 32.389 32.600 0.039 0.000 1.377 484 M HN 0.476 nan 8.290 nan 0.000 0.415 485 K N 0.643 121.109 120.400 0.110 0.000 2.032 485 K HA -0.160 4.159 4.320 -0.001 0.000 0.209 485 K C 1.906 178.575 176.600 0.114 0.000 1.048 485 K CA 1.621 57.967 56.287 0.098 0.000 0.927 485 K CB -0.122 32.425 32.500 0.080 0.000 0.712 485 K HN 0.294 nan 8.250 nan 0.000 0.441 486 A N 0.642 123.555 122.820 0.156 0.000 2.019 486 A HA -0.045 4.275 4.320 -0.001 0.000 0.219 486 A C 2.080 179.849 177.584 0.309 0.000 1.164 486 A CA 1.704 53.871 52.037 0.218 0.000 0.644 486 A CB -0.463 18.656 19.000 0.198 0.000 0.805 486 A HN 0.467 nan 8.150 nan 0.000 0.449 487 A N -1.331 121.594 122.820 0.176 0.000 2.251 487 A HA 0.259 4.579 4.320 -0.001 0.000 0.209 487 A C 0.435 177.950 177.584 -0.116 0.000 1.187 487 A CA 0.689 52.642 52.037 -0.140 0.000 0.823 487 A CB -0.166 18.561 19.000 -0.455 0.000 0.846 487 A HN 0.401 nan 8.150 nan 0.000 0.486 488 D N -1.891 118.528 120.400 0.032 0.000 2.708 488 D HA -0.200 4.439 4.640 -0.001 0.000 0.236 488 D C -0.411 175.911 176.300 0.036 0.000 1.146 488 D CA 0.872 54.907 54.000 0.058 0.000 0.662 488 D CB -1.578 39.315 40.800 0.155 0.000 1.059 488 D HN 0.523 nan 8.370 nan 0.000 0.428 489 F N 0.510 120.391 119.950 -0.115 0.000 2.390 489 F HA 0.343 4.870 4.527 -0.001 0.000 0.361 489 F C 0.833 176.582 175.800 -0.086 0.000 1.124 489 F CA -0.501 57.417 58.000 -0.136 0.000 1.149 489 F CB 0.457 39.338 39.000 -0.199 0.000 1.160 489 F HN -0.035 nan 8.300 nan 0.000 0.501 490 L N 6.733 127.690 121.223 -0.444 0.000 2.906 490 L HA 0.284 4.624 4.340 -0.001 0.000 0.255 490 L C -0.110 176.559 176.870 -0.336 0.000 1.166 490 L CA -0.125 54.558 54.840 -0.262 0.000 0.977 490 L CB -0.120 41.840 42.059 -0.164 0.000 1.313 490 L HN 0.496 nan 8.230 nan 0.000 0.549 491 L N 0.476 121.303 121.223 -0.660 0.000 2.456 491 L HA 0.299 4.638 4.340 -0.001 0.000 0.257 491 L C -1.878 174.898 176.870 -0.158 0.000 1.162 491 L CA -1.807 52.772 54.840 -0.434 0.000 0.808 491 L CB 0.036 41.745 42.059 -0.584 0.000 1.136 491 L HN -0.182 nan 8.230 nan 0.000 0.466 492 P HA 0.005 nan 4.420 nan 0.000 0.262 492 P C -0.973 176.344 177.300 0.028 0.000 1.182 492 P CA -0.010 63.065 63.100 -0.042 0.000 0.761 492 P CB 0.410 32.048 31.700 -0.102 0.000 0.795 493 V N 5.735 125.661 119.914 0.020 0.000 2.394 493 V HA 0.320 4.440 4.120 -0.001 0.000 0.282 493 V C 0.459 176.500 176.094 -0.088 0.000 1.031 493 V CA -0.299 62.023 62.300 0.037 0.000 0.881 493 V CB 0.852 32.726 31.823 0.085 0.000 0.982 493 V HN 0.359 nan 8.190 nan 0.000 0.451 494 I N 7.685 128.126 120.570 -0.214 0.000 2.378 494 I HA 0.368 4.537 4.170 -0.001 0.000 0.291 494 I C -1.343 174.652 176.117 -0.203 0.000 0.992 494 I CA -1.843 59.252 61.300 -0.341 0.000 1.154 494 I CB 2.486 40.028 38.000 -0.763 0.000 1.315 494 I HN 0.422 nan 8.210 nan 0.000 0.448 495 P HA -0.008 nan 4.420 nan 0.000 0.219 495 P C 0.190 177.539 177.300 0.082 0.000 1.150 495 P CA 0.888 64.008 63.100 0.034 0.000 0.814 495 P CB 0.633 32.354 31.700 0.035 0.000 0.787 496 A N -1.524 121.341 122.820 0.074 0.000 2.610 496 A HA 0.645 4.964 4.320 -0.001 0.000 0.291 496 A C 0.363 178.059 177.584 0.188 0.000 1.086 496 A CA 0.030 52.145 52.037 0.130 0.000 0.677 496 A CB 0.597 19.632 19.000 0.059 0.000 1.278 496 A HN -0.069 nan 8.150 nan 0.000 0.414 497 A N 0.084 122.986 122.820 0.137 0.000 2.220 497 A HA 0.468 4.787 4.320 -0.001 0.000 0.211 497 A C 1.328 178.913 177.584 0.002 0.000 1.176 497 A CA 1.334 53.400 52.037 0.049 0.000 0.834 497 A CB -0.593 18.318 19.000 -0.149 0.000 0.868 497 A HN 1.815 nan 8.150 nan 0.000 0.488 498 S N -1.234 114.457 115.700 -0.015 0.000 2.666 498 S HA 0.615 5.085 4.470 -0.001 0.000 0.279 498 S C 1.077 175.672 174.600 -0.009 0.000 1.149 498 S CA 0.024 58.202 58.200 -0.035 0.000 1.020 498 S CB 1.118 64.256 63.200 -0.104 0.000 1.127 498 S HN 0.773 nan 8.310 nan 0.000 0.537 499 A N -0.346 122.470 122.820 -0.007 0.000 2.238 499 A HA 0.226 4.546 4.320 -0.001 0.000 0.208 499 A C 0.880 178.469 177.584 0.009 0.000 1.177 499 A CA -0.188 51.861 52.037 0.019 0.000 0.804 499 A CB -0.561 18.465 19.000 0.044 0.000 0.823 499 A HN 0.684 nan 8.150 nan 0.000 0.482 500 R N 1.456 121.945 120.500 -0.017 0.000 2.347 500 R HA 0.265 4.605 4.340 -0.001 0.000 0.304 500 R C -2.541 173.773 176.300 0.022 0.000 1.072 500 R CA -1.605 54.492 56.100 -0.005 0.000 0.980 500 R CB 0.334 30.610 30.300 -0.040 0.000 0.986 500 R HN 0.236 nan 8.270 nan 0.000 0.448 501 P HA 0.009 nan 4.420 nan 0.000 0.274 501 P C -0.609 176.719 177.300 0.047 0.000 1.231 501 P CA -0.358 62.762 63.100 0.034 0.000 0.790 501 P CB 1.256 32.974 31.700 0.030 0.000 0.951 502 S N 1.653 117.381 115.700 0.047 0.000 2.654 502 S HA 0.454 4.924 4.470 -0.001 0.000 0.283 502 S C -1.802 172.823 174.600 0.041 0.000 1.180 502 S CA -1.346 56.888 58.200 0.056 0.000 1.021 502 S CB 0.782 64.025 63.200 0.072 0.000 1.018 502 S HN 0.204 nan 8.310 nan 0.000 0.532 503 P HA -0.022 nan 4.420 nan 0.000 0.215 503 P C 1.073 178.388 177.300 0.025 0.000 1.153 503 P CA 1.135 64.251 63.100 0.027 0.000 0.853 503 P CB -0.044 31.668 31.700 0.020 0.000 0.788 504 I N -1.874 118.715 120.570 0.031 0.000 2.499 504 I HA -0.087 4.082 4.170 -0.001 0.000 0.243 504 I C 2.127 178.261 176.117 0.028 0.000 1.085 504 I CA 1.255 62.573 61.300 0.029 0.000 1.422 504 I CB -1.265 36.756 38.000 0.035 0.000 1.165 504 I HN -0.140 nan 8.210 nan 0.000 0.440 505 T N 0.288 114.863 114.554 0.036 0.000 2.777 505 T HA 0.148 4.497 4.350 -0.001 0.000 0.266 505 T C 1.072 175.780 174.700 0.012 0.000 1.040 505 T CA 1.265 63.380 62.100 0.025 0.000 1.141 505 T CB -0.372 68.514 68.868 0.031 0.000 0.868 505 T HN 0.679 nan 8.240 nan 0.000 0.444 506 G N 0.896 109.706 108.800 0.018 0.000 2.443 506 G HA2 0.189 4.148 3.960 -0.001 0.000 0.209 506 G HA3 0.189 4.148 3.960 -0.001 0.000 0.209 506 G C -0.133 174.773 174.900 0.010 0.000 1.176 506 G CA -0.330 44.778 45.100 0.013 0.000 1.074 506 G HN 0.797 nan 8.290 nan 0.000 0.577 507 A N 0.030 122.853 122.820 0.006 0.000 2.498 507 A HA 0.590 4.909 4.320 -0.001 0.000 0.239 507 A C 1.849 179.428 177.584 -0.009 0.000 1.068 507 A CA 1.521 53.562 52.037 0.006 0.000 0.766 507 A CB 0.335 19.341 19.000 0.011 0.000 1.003 507 A HN 2.343 nan 8.150 nan 0.000 0.497 508 S N 2.202 117.900 115.700 -0.004 0.000 2.371 508 S HA 0.233 4.702 4.470 -0.001 0.000 0.224 508 S C 1.586 176.163 174.600 -0.039 0.000 1.029 508 S CA 1.139 59.324 58.200 -0.026 0.000 0.978 508 S CB -0.698 62.501 63.200 -0.002 0.000 0.833 508 S HN 2.620 nan 8.310 nan 0.000 0.466 509 G N 1.325 110.129 108.800 0.006 0.000 2.153 509 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.252 509 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.252 509 G C -0.040 174.908 174.900 0.080 0.000 0.994 509 G CA 0.844 45.967 45.100 0.038 0.000 0.698 509 G HN 0.565 nan 8.290 nan 0.000 0.521 510 M N -1.072 118.567 119.600 0.065 0.000 2.691 510 M HA 0.625 5.104 4.480 -0.001 0.000 0.293 510 M C -0.138 176.204 176.300 0.070 0.000 1.259 510 M CA -0.948 54.416 55.300 0.108 0.000 0.827 510 M CB 2.488 35.122 32.600 0.057 0.000 1.753 510 M HN 0.270 nan 8.290 nan 0.000 0.465 511 K N 0.752 121.179 120.400 0.045 0.000 2.469 511 K HA 0.729 5.049 4.320 -0.001 0.000 0.254 511 K C -1.434 175.140 176.600 -0.044 0.000 0.939 511 K CA -0.803 55.470 56.287 -0.023 0.000 0.812 511 K CB 2.891 35.313 32.500 -0.131 0.000 1.301 511 K HN 0.831 nan 8.250 nan 0.000 0.433 512 M N 3.818 123.399 119.600 -0.032 0.000 2.693 512 M HA 0.272 4.752 4.480 -0.001 0.000 0.224 512 M C -1.063 175.270 176.300 0.055 0.000 1.149 512 M CA -0.390 54.897 55.300 -0.021 0.000 0.622 512 M CB 0.440 33.032 32.600 -0.014 0.000 1.443 512 M HN 0.667 nan 8.290 nan 0.000 0.431 513 N N 1.442 120.157 118.700 0.025 0.000 2.276 513 N HA 0.242 4.981 4.740 -0.001 0.000 0.212 513 N C 0.772 176.370 175.510 0.145 0.000 1.127 513 N CA 0.811 53.925 53.050 0.106 0.000 0.834 513 N CB 0.705 39.238 38.487 0.076 0.000 1.014 513 N HN 0.840 nan 8.380 nan 0.000 0.491 514 G N 1.849 110.692 108.800 0.072 0.000 2.749 514 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.242 514 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.242 514 G C -2.746 172.055 174.900 -0.166 0.000 1.364 514 G CA -0.681 44.324 45.100 -0.157 0.000 0.888 514 G HN 0.174 nan 8.290 nan 0.000 0.566 515 P HA 0.511 nan 4.420 nan 0.000 0.282 515 P C -0.575 176.495 177.300 -0.384 0.000 1.287 515 P CA -0.045 62.917 63.100 -0.230 0.000 0.792 515 P CB 0.637 32.111 31.700 -0.376 0.000 1.163 516 Y N -2.645 117.724 120.300 0.114 0.000 2.729 516 Y HA 0.331 4.881 4.550 -0.001 0.000 0.266 516 Y C 0.488 176.588 175.900 0.334 0.000 1.064 516 Y CA -0.064 58.106 58.100 0.116 0.000 1.251 516 Y CB 0.906 39.427 38.460 0.102 0.000 1.379 516 Y HN 0.229 nan 8.280 nan 0.000 0.569 517 D N -1.906 118.758 120.400 0.439 0.000 2.812 517 D HA 0.098 4.737 4.640 -0.001 0.000 0.318 517 D C -1.296 175.183 176.300 0.297 0.000 1.234 517 D CA -0.810 53.465 54.000 0.459 0.000 0.989 517 D CB 1.323 42.487 40.800 0.607 0.000 1.442 517 D HN -0.182 nan 8.370 nan 0.000 0.537 518 Y N 1.305 121.768 120.300 0.271 0.000 2.721 518 Y HA 0.248 4.797 4.550 -0.001 0.000 0.329 518 Y C -0.062 175.889 175.900 0.085 0.000 1.211 518 Y CA 0.645 58.885 58.100 0.234 0.000 1.512 518 Y CB 0.069 38.703 38.460 0.289 0.000 1.249 518 Y HN 0.093 nan 8.280 nan 0.000 0.549 519 V N 5.846 125.193 119.914 -0.946 0.000 2.888 519 V HA 0.664 4.783 4.120 -0.001 0.000 0.309 519 V C -2.844 172.689 176.094 -0.934 0.000 1.114 519 V CA -2.574 59.214 62.300 -0.852 0.000 0.940 519 V CB 1.890 32.993 31.823 -1.200 0.000 1.021 519 V HN 0.647 nan 8.190 nan 0.000 0.426 520 P HA 0.316 nan 4.420 nan 0.000 0.272 520 P C -2.377 174.875 177.300 -0.080 0.000 1.230 520 P CA -1.377 61.648 63.100 -0.125 0.000 0.788 520 P CB 0.580 32.265 31.700 -0.026 0.000 0.949 521 P HA -0.168 nan 4.420 nan 0.000 0.216 521 P C 1.736 179.169 177.300 0.221 0.000 1.154 521 P CA 0.964 64.128 63.100 0.107 0.000 0.865 521 P CB -0.238 31.278 31.700 -0.307 0.000 0.789 522 V N -1.323 118.668 119.914 0.128 0.000 2.568 522 V HA -0.268 3.851 4.120 -0.001 0.000 0.253 522 V C 2.177 178.443 176.094 0.286 0.000 1.072 522 V CA 1.568 64.025 62.300 0.263 0.000 1.084 522 V CB -1.246 30.659 31.823 0.137 0.000 0.676 522 V HN 0.072 nan 8.190 nan 0.000 0.469 523 Y N -0.369 119.901 120.300 -0.051 0.000 2.151 523 Y HA -0.303 4.246 4.550 -0.001 0.000 0.284 523 Y C 1.915 177.767 175.900 -0.080 0.000 1.166 523 Y CA 2.334 60.332 58.100 -0.170 0.000 1.163 523 Y CB -0.395 37.725 38.460 -0.566 0.000 0.974 523 Y HN 0.434 nan 8.280 nan 0.000 0.511 524 W N -1.613 119.866 121.300 0.298 0.000 2.465 524 W HA -0.152 4.508 4.660 -0.001 0.000 0.268 524 W C 1.437 177.876 176.519 -0.132 0.000 1.242 524 W CA 0.687 58.090 57.345 0.098 0.000 1.248 524 W CB -0.569 28.914 29.460 0.038 0.000 1.118 524 W HN 0.078 nan 8.180 nan 0.000 0.587 525 Y N 0.097 120.544 120.300 0.245 0.000 2.529 525 Y HA -0.014 4.536 4.550 -0.001 0.000 0.290 525 Y C 0.756 176.701 175.900 0.074 0.000 1.177 525 Y CA 0.218 58.405 58.100 0.145 0.000 1.305 525 Y CB -0.620 37.927 38.460 0.145 0.000 1.047 525 Y HN -0.241 nan 8.280 nan 0.000 0.522 526 D N 0.626 121.104 120.400 0.131 0.000 2.417 526 D HA 0.040 4.679 4.640 -0.001 0.000 0.250 526 D C 0.512 176.848 176.300 0.059 0.000 1.166 526 D CA 0.419 54.438 54.000 0.031 0.000 0.881 526 D CB 0.719 41.457 40.800 -0.102 0.000 1.164 526 D HN 0.131 nan 8.370 nan 0.000 0.467 527 K N 1.522 121.890 120.400 -0.054 0.000 2.402 527 K HA 0.029 4.348 4.320 -0.001 0.000 0.204 527 K C 1.601 177.946 176.600 -0.425 0.000 1.056 527 K CA 0.123 56.272 56.287 -0.229 0.000 1.069 527 K CB 0.542 32.937 32.500 -0.175 0.000 0.888 527 K HN 0.439 nan 8.250 nan 0.000 0.546 528 S N 0.691 116.176 115.700 -0.358 0.000 2.436 528 S HA -0.031 4.438 4.470 -0.001 0.000 0.228 528 S C 0.841 175.156 174.600 -0.475 0.000 1.014 528 S CA 0.401 58.359 58.200 -0.404 0.000 0.950 528 S CB 0.032 63.017 63.200 -0.358 0.000 0.784 528 S HN 0.073 nan 8.310 nan 0.000 0.504 529 Q N 1.930 121.409 119.800 -0.535 0.000 2.398 529 Q HA 0.281 4.620 4.340 -0.001 0.000 0.251 529 Q C 0.408 176.307 176.000 -0.168 0.000 0.999 529 Q CA -0.160 55.373 55.803 -0.450 0.000 0.874 529 Q CB 1.429 29.735 28.738 -0.719 0.000 1.215 529 Q HN 0.787 nan 8.270 nan 0.000 0.470 530 K N 0.443 120.736 120.400 -0.179 0.000 2.486 530 K HA -0.022 4.298 4.320 -0.001 0.000 0.194 530 K C -0.051 176.697 176.600 0.247 0.000 1.033 530 K CA 0.874 57.119 56.287 -0.070 0.000 1.004 530 K CB 0.455 32.834 32.500 -0.203 0.000 0.798 530 K HN 0.188 nan 8.250 nan 0.000 0.495 531 D N 0.477 120.964 120.400 0.145 0.000 2.395 531 D HA 0.092 4.732 4.640 -0.001 0.000 0.213 531 D C 0.182 176.583 176.300 0.169 0.000 1.110 531 D CA 0.043 54.135 54.000 0.153 0.000 0.835 531 D CB 0.480 41.337 40.800 0.095 0.000 0.965 531 D HN 0.087 nan 8.370 nan 0.000 0.505 532 R N -0.233 120.381 120.500 0.190 0.000 2.981 532 R HA 0.576 4.916 4.340 -0.001 0.000 0.228 532 R C 1.038 177.391 176.300 0.089 0.000 1.421 532 R CA -0.822 55.380 56.100 0.170 0.000 1.073 532 R CB -0.146 30.237 30.300 0.138 0.000 1.568 532 R HN -0.086 nan 8.270 nan 0.000 0.514 533 G N -0.326 108.536 108.800 0.104 0.000 3.707 533 G HA2 0.233 4.192 3.960 -0.001 0.000 0.286 533 G HA3 0.233 4.192 3.960 -0.001 0.000 0.286 533 G C 0.465 175.388 174.900 0.038 0.000 1.112 533 G CA -0.001 45.126 45.100 0.046 0.000 0.861 533 G HN 0.549 nan 8.290 nan 0.000 0.534 534 G N -0.247 108.468 108.800 -0.141 0.000 2.716 534 G HA2 0.425 4.384 3.960 -0.001 0.000 0.251 534 G HA3 0.425 4.384 3.960 -0.001 0.000 0.251 534 G C 0.613 175.354 174.900 -0.266 0.000 1.224 534 G CA 0.150 45.210 45.100 -0.067 0.000 0.891 534 G HN 0.613 nan 8.290 nan 0.000 0.561 535 A N 1.343 124.011 122.820 -0.254 0.000 2.981 535 A HA 0.516 4.835 4.320 -0.001 0.000 0.280 535 A C -0.228 177.236 177.584 -0.200 0.000 1.743 535 A CA -0.333 51.266 52.037 -0.729 0.000 1.430 535 A CB -1.053 17.506 19.000 -0.734 0.000 1.085 535 A HN 0.879 nan 8.150 nan 0.000 0.597 536 W N -0.293 120.882 121.300 -0.207 0.000 3.464 536 W HA 0.559 5.219 4.660 -0.001 0.000 0.292 536 W C -0.233 176.291 176.519 0.008 0.000 1.262 536 W CA -0.149 57.150 57.345 -0.077 0.000 1.202 536 W CB -0.102 29.314 29.460 -0.073 0.000 1.334 536 W HN 0.994 nan 8.180 nan 0.000 0.561 537 S N 0.569 116.423 115.700 0.257 0.000 3.569 537 S HA -0.276 4.193 4.470 -0.001 0.000 0.635 537 S C -1.015 173.654 174.600 0.115 0.000 2.396 537 S CA 0.707 59.017 58.200 0.183 0.000 2.612 537 S CB -1.186 62.102 63.200 0.146 0.000 0.331 537 S HN 0.920 nan 8.310 nan 0.000 1.764 538 F N 2.619 122.577 119.950 0.013 0.000 2.308 538 F HA 0.468 4.994 4.527 -0.001 0.000 0.370 538 F C 0.321 176.091 175.800 -0.050 0.000 1.100 538 F CA -0.749 57.272 58.000 0.034 0.000 1.108 538 F CB 0.595 39.654 39.000 0.098 0.000 1.293 538 F HN 0.492 nan 8.300 nan 0.000 0.478 539 N N 3.341 121.980 118.700 -0.102 0.000 2.498 539 N HA -0.054 4.686 4.740 -0.001 0.000 0.277 539 N C 1.192 176.663 175.510 -0.064 0.000 1.208 539 N CA 0.313 53.287 53.050 -0.127 0.000 1.029 539 N CB 0.830 39.191 38.487 -0.211 0.000 1.403 539 N HN 0.711 nan 8.380 nan 0.000 0.500 540 S N 1.318 117.082 115.700 0.106 0.000 2.474 540 S HA -0.110 4.360 4.470 -0.001 0.000 0.235 540 S C 0.133 174.625 174.600 -0.180 0.000 0.997 540 S CA 0.504 58.759 58.200 0.092 0.000 0.949 540 S CB -0.189 63.031 63.200 0.034 0.000 0.766 540 S HN 0.672 nan 8.310 nan 0.000 0.517 541 E N -1.115 118.872 120.200 -0.355 0.000 2.782 541 E HA 0.396 4.745 4.350 -0.001 0.000 0.372 541 E C -1.074 175.086 176.600 -0.734 0.000 0.944 541 E CA -0.553 55.453 56.400 -0.657 0.000 0.749 541 E CB 0.303 29.148 29.700 -1.425 0.000 1.453 541 E HN 0.022 nan 8.360 nan 0.000 0.402 542 T N 0.927 115.135 114.554 -0.575 0.000 3.012 542 T HA 0.692 5.041 4.350 -0.001 0.000 0.330 542 T C -1.520 172.873 174.700 -0.512 0.000 1.321 542 T CA 0.279 62.021 62.100 -0.596 0.000 1.067 542 T CB 1.827 70.498 68.868 -0.329 0.000 1.235 542 T HN 0.876 nan 8.240 nan 0.000 0.479 543 S N 1.829 117.298 115.700 -0.384 0.000 2.672 543 S HA 0.767 5.236 4.470 -0.001 0.000 0.271 543 S C 0.009 174.686 174.600 0.127 0.000 1.171 543 S CA -0.223 57.800 58.200 -0.295 0.000 0.817 543 S CB 1.087 63.850 63.200 -0.730 0.000 1.150 543 S HN 1.300 nan 8.310 nan 0.000 0.478 544 A N -0.000 122.983 122.820 0.272 0.000 2.577 544 A HA 0.747 5.066 4.320 -0.001 0.000 0.280 544 A C 1.390 179.191 177.584 0.362 0.000 1.331 544 A CA 0.562 52.766 52.037 0.279 0.000 0.935 544 A CB -1.489 17.661 19.000 0.251 0.000 1.082 544 A HN 2.481 nan 8.150 nan 0.000 0.525 545 G N -0.775 108.256 108.800 0.385 0.000 2.728 545 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.269 545 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.269 545 G C 0.233 175.302 174.900 0.281 0.000 1.334 545 G CA -0.193 45.174 45.100 0.445 0.000 0.974 545 G HN 0.889 nan 8.290 nan 0.000 0.550 546 V N 2.800 122.788 119.914 0.124 0.000 2.617 546 V HA 0.366 4.485 4.120 -0.001 0.000 0.304 546 V C -0.251 175.712 176.094 -0.218 0.000 1.040 546 V CA 1.157 63.345 62.300 -0.186 0.000 1.149 546 V CB 1.255 32.719 31.823 -0.598 0.000 0.914 546 V HN 0.556 nan 8.190 nan 0.000 0.487 547 D N 4.631 124.945 120.400 -0.142 0.000 2.405 547 D HA 0.263 4.902 4.640 -0.001 0.000 0.264 547 D C -0.271 175.977 176.300 -0.087 0.000 1.240 547 D CA -0.448 53.520 54.000 -0.053 0.000 0.893 547 D CB 1.109 41.951 40.800 0.069 0.000 1.198 547 D HN 0.232 nan 8.370 nan 0.000 0.514 548 I N 3.545 124.034 120.570 -0.135 0.000 2.742 548 I HA 0.029 4.198 4.170 -0.001 0.000 0.287 548 I C -1.657 174.453 176.117 -0.012 0.000 1.186 548 I CA -1.398 59.870 61.300 -0.054 0.000 1.417 548 I CB -0.527 37.468 38.000 -0.008 0.000 1.377 548 I HN -0.004 nan 8.210 nan 0.000 0.556 549 P HA 0.103 nan 4.420 nan 0.000 0.286 549 P C -0.025 177.288 177.300 0.022 0.000 1.293 549 P CA -0.297 62.803 63.100 0.001 0.000 0.770 549 P CB 0.114 31.805 31.700 -0.015 0.000 1.206 550 T N -2.898 111.672 114.554 0.026 0.000 2.856 550 T HA 0.054 4.403 4.350 -0.001 0.000 0.306 550 T C 1.376 176.097 174.700 0.035 0.000 1.062 550 T CA -0.302 61.817 62.100 0.033 0.000 1.083 550 T CB -0.050 68.835 68.868 0.029 0.000 0.984 550 T HN 0.213 nan 8.240 nan 0.000 0.542 551 M N 1.125 120.743 119.600 0.029 0.000 2.144 551 M HA -0.081 4.398 4.480 -0.001 0.000 0.260 551 M C 1.410 177.721 176.300 0.018 0.000 1.067 551 M CA 1.828 57.142 55.300 0.023 0.000 1.095 551 M CB -1.204 31.401 32.600 0.008 0.000 1.365 551 M HN 0.839 nan 8.290 nan 0.000 0.406 552 D N -1.482 118.926 120.400 0.013 0.000 2.144 552 D HA -0.146 4.493 4.640 -0.001 0.000 0.199 552 D C 1.744 178.050 176.300 0.010 0.000 0.984 552 D CA 1.883 55.882 54.000 -0.001 0.000 0.834 552 D CB -0.193 40.600 40.800 -0.012 0.000 0.955 552 D HN 0.385 nan 8.370 nan 0.000 0.465 553 T N 0.219 114.809 114.554 0.060 0.000 2.812 553 T HA -0.003 4.347 4.350 -0.001 0.000 0.264 553 T C 2.016 176.776 174.700 0.100 0.000 1.042 553 T CA 0.374 62.563 62.100 0.148 0.000 1.140 553 T CB -0.211 68.770 68.868 0.188 0.000 0.870 553 T HN 0.084 nan 8.240 nan 0.000 0.445 554 L N 0.666 121.917 121.223 0.046 0.000 2.013 554 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 554 L C 2.546 179.438 176.870 0.038 0.000 1.073 554 L CA 1.577 56.431 54.840 0.023 0.000 0.753 554 L CB -0.452 41.629 42.059 0.036 0.000 0.890 554 L HN 0.214 nan 8.230 nan 0.000 0.432 555 K N -0.477 119.948 120.400 0.042 0.000 2.362 555 K HA -0.114 4.205 4.320 -0.001 0.000 0.200 555 K C 2.097 178.736 176.600 0.064 0.000 1.046 555 K CA 0.839 57.155 56.287 0.048 0.000 0.952 555 K CB -0.021 32.489 32.500 0.017 0.000 0.753 555 K HN 0.296 nan 8.250 nan 0.000 0.466 556 R N 0.239 120.777 120.500 0.063 0.000 2.210 556 R HA 0.073 4.412 4.340 -0.001 0.000 0.203 556 R C 2.084 178.536 176.300 0.254 0.000 1.010 556 R CA 0.856 57.008 56.100 0.087 0.000 1.008 556 R CB 0.111 30.393 30.300 -0.031 0.000 0.923 556 R HN 0.289 nan 8.270 nan 0.000 0.469 557 M N -2.307 117.392 119.600 0.164 0.000 2.379 557 M HA 0.371 4.851 4.480 -0.001 0.000 0.265 557 M C 0.158 176.323 176.300 -0.224 0.000 1.095 557 M CA 0.575 55.854 55.300 -0.034 0.000 1.075 557 M CB 0.869 33.276 32.600 -0.322 0.000 1.443 557 M HN -0.168 nan 8.290 nan 0.000 0.519 558 M N 1.391 120.962 119.600 -0.049 0.000 2.501 558 M HA 0.426 4.906 4.480 -0.001 0.000 0.293 558 M C -0.320 176.006 176.300 0.043 0.000 1.192 558 M CA -0.738 54.470 55.300 -0.153 0.000 0.886 558 M CB 2.801 35.325 32.600 -0.126 0.000 1.710 558 M HN 0.263 nan 8.290 nan 0.000 0.457 559 S N 1.095 116.768 115.700 -0.046 0.000 2.614 559 S HA 0.507 4.977 4.470 -0.001 0.000 0.265 559 S C 1.116 175.761 174.600 0.074 0.000 1.303 559 S CA -0.062 58.204 58.200 0.110 0.000 1.000 559 S CB 1.207 64.448 63.200 0.069 0.000 0.935 559 S HN 0.806 nan 8.310 nan 0.000 0.551 560 A N 1.613 124.486 122.820 0.087 0.000 1.917 560 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 560 A C 2.546 180.162 177.584 0.052 0.000 1.182 560 A CA 2.347 54.425 52.037 0.069 0.000 0.633 560 A CB -1.702 17.335 19.000 0.062 0.000 0.819 560 A HN 1.372 nan 8.150 nan 0.000 0.448 561 S N -0.559 115.159 115.700 0.031 0.000 2.387 561 S HA -0.143 4.326 4.470 -0.001 0.000 0.226 561 S C 1.720 176.309 174.600 -0.018 0.000 1.026 561 S CA 1.296 59.498 58.200 0.004 0.000 0.972 561 S CB -0.437 62.761 63.200 -0.004 0.000 0.814 561 S HN 0.627 nan 8.310 nan 0.000 0.477 562 E N 1.091 121.280 120.200 -0.019 0.000 2.058 562 E HA -0.101 4.249 4.350 -0.001 0.000 0.194 562 E C 2.077 178.663 176.600 -0.023 0.000 0.997 562 E CA 1.671 58.050 56.400 -0.034 0.000 0.801 562 E CB -0.379 29.291 29.700 -0.050 0.000 0.746 562 E HN 0.526 nan 8.360 nan 0.000 0.450 563 L N 0.553 121.784 121.223 0.014 0.000 2.093 563 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 563 L C 2.215 179.152 176.870 0.113 0.000 1.085 563 L CA 1.019 55.895 54.840 0.060 0.000 0.755 563 L CB -0.250 41.862 42.059 0.088 0.000 0.904 563 L HN 0.123 nan 8.230 nan 0.000 0.435 564 D N -0.395 120.056 120.400 0.085 0.000 2.092 564 D HA -0.194 4.445 4.640 -0.001 0.000 0.193 564 D C 2.051 178.154 176.300 -0.327 0.000 0.994 564 D CA 1.776 55.781 54.000 0.008 0.000 0.828 564 D CB 0.107 40.904 40.800 -0.004 0.000 0.963 564 D HN 0.106 nan 8.370 nan 0.000 0.450 565 T N 0.055 114.476 114.554 -0.221 0.000 2.788 565 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 565 T C 1.876 176.412 174.700 -0.273 0.000 1.044 565 T CA 1.175 63.123 62.100 -0.254 0.000 1.139 565 T CB -0.297 68.483 68.868 -0.146 0.000 0.867 565 T HN 0.248 nan 8.240 nan 0.000 0.454 566 M N 0.691 120.171 119.600 -0.200 0.000 2.117 566 M HA -0.090 4.390 4.480 -0.001 0.000 0.262 566 M C 2.295 178.310 176.300 -0.474 0.000 1.065 566 M CA 1.738 56.910 55.300 -0.215 0.000 1.114 566 M CB -0.211 32.334 32.600 -0.091 0.000 1.361 566 M HN 0.606 nan 8.290 nan 0.000 0.408 567 W N 0.590 121.503 121.300 -0.644 0.000 2.494 567 W HA 0.010 4.669 4.660 -0.001 0.000 0.286 567 W C 1.384 177.647 176.519 -0.427 0.000 1.218 567 W CA 0.433 57.223 57.345 -0.926 0.000 1.313 567 W CB -0.915 28.147 29.460 -0.664 0.000 1.105 567 W HN 0.143 nan 8.180 nan 0.000 0.561 568 K N 0.604 120.406 120.400 -0.997 0.000 2.103 568 K HA -0.126 4.193 4.320 -0.001 0.000 0.204 568 K C 0.371 176.723 176.600 -0.414 0.000 1.052 568 K CA 1.044 56.801 56.287 -0.884 0.000 0.945 568 K CB -0.221 31.671 32.500 -1.013 0.000 0.722 568 K HN -0.090 nan 8.250 nan 0.000 0.443 569 N N -0.043 118.460 118.700 -0.329 0.000 2.727 569 N HA 0.169 4.908 4.740 -0.001 0.000 0.252 569 N C -2.574 172.860 175.510 -0.125 0.000 1.283 569 N CA -1.941 50.999 53.050 -0.184 0.000 0.782 569 N CB 1.386 39.777 38.487 -0.160 0.000 1.199 569 N HN -0.242 nan 8.380 nan 0.000 0.520 570 P HA -0.033 nan 4.420 nan 0.000 0.220 570 P C 0.906 178.224 177.300 0.031 0.000 1.148 570 P CA 0.917 64.029 63.100 0.020 0.000 0.803 570 P CB 0.412 32.195 31.700 0.139 0.000 0.782 571 S N -0.723 114.982 115.700 0.008 0.000 2.442 571 S HA 0.014 4.484 4.470 -0.001 0.000 0.236 571 S C 1.192 175.787 174.600 -0.008 0.000 1.007 571 S CA 0.592 58.796 58.200 0.007 0.000 0.965 571 S CB -0.762 62.437 63.200 -0.002 0.000 0.773 571 S HN 0.197 nan 8.310 nan 0.000 0.504 572 A N 1.745 124.548 122.820 -0.029 0.000 2.407 572 A HA 0.295 4.615 4.320 -0.001 0.000 0.248 572 A C 0.283 177.855 177.584 -0.019 0.000 1.082 572 A CA -0.245 51.772 52.037 -0.032 0.000 0.785 572 A CB 0.185 19.151 19.000 -0.056 0.000 1.020 572 A HN 0.326 nan 8.150 nan 0.000 0.489 573 K N 1.333 121.726 120.400 -0.012 0.000 2.401 573 K HA 0.159 4.478 4.320 -0.001 0.000 0.278 573 K C -0.445 176.160 176.600 0.008 0.000 1.018 573 K CA 0.189 56.476 56.287 0.000 0.000 0.981 573 K CB 0.342 32.849 32.500 0.011 0.000 0.933 573 K HN 0.577 nan 8.250 nan 0.000 0.477 574 Q N 2.597 122.401 119.800 0.007 0.000 2.341 574 Q HA 0.051 4.391 4.340 -0.001 0.000 0.268 574 Q C 0.102 176.137 176.000 0.058 0.000 1.013 574 Q CA -0.283 55.534 55.803 0.023 0.000 0.798 574 Q CB 1.198 29.926 28.738 -0.017 0.000 1.253 574 Q HN 0.636 nan 8.270 nan 0.000 0.457 575 Y N 3.050 123.336 120.300 -0.023 0.000 2.241 575 Y HA -0.239 4.311 4.550 -0.001 0.000 0.286 575 Y C 1.419 177.271 175.900 -0.080 0.000 1.166 575 Y CA 2.048 60.132 58.100 -0.026 0.000 1.203 575 Y CB 0.382 38.835 38.460 -0.011 0.000 0.977 575 Y HN 0.680 nan 8.280 nan 0.000 0.529 576 H N -0.737 118.265 119.070 -0.115 0.000 2.533 576 H HA 0.090 4.645 4.556 -0.001 0.000 0.271 576 H C 1.758 176.911 175.328 -0.293 0.000 1.000 576 H CA 0.483 56.311 56.048 -0.367 0.000 1.149 576 H CB 0.328 29.744 29.762 -0.575 0.000 1.375 576 H HN 0.312 nan 8.280 nan 0.000 0.582 577 R N 0.600 120.971 120.500 -0.214 0.000 1.909 577 R HA 0.087 4.427 4.340 -0.001 0.000 0.173 577 R C 0.282 176.296 176.300 -0.477 0.000 1.536 577 R CA 0.430 56.239 56.100 -0.484 0.000 1.352 577 R CB 0.215 30.241 30.300 -0.456 0.000 0.888 577 R HN 0.037 nan 8.270 nan 0.000 0.503 578 S N -1.824 113.674 115.700 -0.336 0.000 2.588 578 S HA 0.281 4.750 4.470 -0.001 0.000 0.275 578 S C 0.353 174.903 174.600 -0.084 0.000 1.130 578 S CA -0.233 57.852 58.200 -0.192 0.000 0.855 578 S CB 1.654 64.776 63.200 -0.130 0.000 1.116 578 S HN 0.518 nan 8.310 nan 0.000 0.472 579 S N 1.743 117.415 115.700 -0.047 0.000 2.428 579 S HA 0.044 4.514 4.470 -0.001 0.000 0.230 579 S C 1.084 175.702 174.600 0.031 0.000 1.014 579 S CA 0.703 58.895 58.200 -0.014 0.000 0.957 579 S CB -0.694 62.491 63.200 -0.025 0.000 0.784 579 S HN 1.129 nan 8.310 nan 0.000 0.499 580 S N 1.531 117.279 115.700 0.079 0.000 2.562 580 S HA 0.119 4.589 4.470 -0.001 0.000 0.281 580 S C 0.504 175.105 174.600 0.001 0.000 1.333 580 S CA -0.447 57.798 58.200 0.075 0.000 1.052 580 S CB 0.484 63.786 63.200 0.170 0.000 0.884 580 S HN 0.240 nan 8.310 nan 0.000 0.506 581 D N 2.875 123.256 120.400 -0.031 0.000 2.178 581 D HA -0.066 4.573 4.640 -0.001 0.000 0.202 581 D C 1.811 178.019 176.300 -0.153 0.000 0.974 581 D CA 1.539 55.503 54.000 -0.060 0.000 0.841 581 D CB -0.623 40.157 40.800 -0.034 0.000 0.953 581 D HN 0.746 nan 8.370 nan 0.000 0.478 582 T N 0.349 114.723 114.554 -0.299 0.000 2.720 582 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 582 T C 1.022 175.297 174.700 -0.708 0.000 1.037 582 T CA 0.906 62.590 62.100 -0.692 0.000 1.144 582 T CB -0.169 68.007 68.868 -1.154 0.000 0.864 582 T HN 0.103 nan 8.240 nan 0.000 0.444 583 F N 0.472 120.357 119.950 -0.109 0.000 2.850 583 F HA 0.512 5.039 4.527 -0.001 0.000 0.306 583 F C 1.693 177.390 175.800 -0.172 0.000 1.162 583 F CA -1.388 56.533 58.000 -0.132 0.000 1.327 583 F CB -0.207 38.721 39.000 -0.119 0.000 0.953 583 F HN 0.103 nan 8.300 nan 0.000 0.507 584 G N 0.021 108.811 108.800 -0.017 0.000 2.683 584 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.213 584 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.213 584 G C 0.501 175.379 174.900 -0.035 0.000 1.142 584 G CA 0.242 45.321 45.100 -0.035 0.000 0.793 584 G HN 0.465 nan 8.290 nan 0.000 0.534 585 N N -1.279 117.411 118.700 -0.016 0.000 3.038 585 N HA 0.520 5.259 4.740 -0.001 0.000 0.307 585 N C -0.213 175.320 175.510 0.038 0.000 1.441 585 N CA -0.974 52.077 53.050 0.002 0.000 0.772 585 N CB 0.782 39.275 38.487 0.010 0.000 1.651 585 N HN -0.108 nan 8.380 nan 0.000 0.593 586 L N -1.117 120.152 121.223 0.076 0.000 3.154 586 L HA 0.443 4.782 4.340 -0.001 0.000 0.266 586 L C 1.600 178.605 176.870 0.225 0.000 1.300 586 L CA -0.479 54.461 54.840 0.168 0.000 1.028 586 L CB -0.005 42.179 42.059 0.208 0.000 1.412 586 L HN 0.658 nan 8.230 nan 0.000 0.564 587 K N 1.383 121.870 120.400 0.146 0.000 1.985 587 K HA -0.089 4.230 4.320 -0.001 0.000 0.210 587 K C 1.908 178.592 176.600 0.141 0.000 1.047 587 K CA 1.536 57.894 56.287 0.118 0.000 0.932 587 K CB 0.027 32.567 32.500 0.066 0.000 0.716 587 K HN 0.370 nan 8.250 nan 0.000 0.439 588 L N 0.216 121.529 121.223 0.150 0.000 2.083 588 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 588 L C 2.474 179.469 176.870 0.207 0.000 1.083 588 L CA 1.205 56.142 54.840 0.161 0.000 0.752 588 L CB -0.475 41.655 42.059 0.118 0.000 0.899 588 L HN 0.242 nan 8.230 nan 0.000 0.433 589 F N 0.811 120.835 119.950 0.124 0.000 2.113 589 F HA -0.078 4.448 4.527 -0.001 0.000 0.297 589 F C 2.267 178.078 175.800 0.018 0.000 1.103 589 F CA 1.558 59.595 58.000 0.062 0.000 1.248 589 F CB -0.535 38.563 39.000 0.163 0.000 0.999 589 F HN -0.041 nan 8.300 nan 0.000 0.475 590 G N -0.187 108.740 108.800 0.212 0.000 2.422 590 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 590 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 590 G C 1.305 176.208 174.900 0.006 0.000 1.146 590 G CA 1.056 46.259 45.100 0.171 0.000 0.769 590 G HN 0.333 nan 8.290 nan 0.000 0.547 591 D N 1.129 121.524 120.400 -0.010 0.000 2.084 591 D HA -0.045 4.594 4.640 -0.001 0.000 0.194 591 D C 2.853 179.052 176.300 -0.169 0.000 0.990 591 D CA 1.357 55.319 54.000 -0.063 0.000 0.826 591 D CB -0.569 40.230 40.800 -0.003 0.000 0.971 591 D HN 0.290 nan 8.370 nan 0.000 0.453 592 A N 0.619 123.326 122.820 -0.188 0.000 1.902 592 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 592 A C 2.207 179.624 177.584 -0.279 0.000 1.181 592 A CA 0.956 52.847 52.037 -0.243 0.000 0.623 592 A CB -0.763 17.846 19.000 -0.652 0.000 0.818 592 A HN 0.205 nan 8.150 nan 0.000 0.443 593 L N -0.346 120.640 121.223 -0.395 0.000 1.989 593 L HA -0.150 4.190 4.340 -0.001 0.000 0.211 593 L C 2.645 179.501 176.870 -0.023 0.000 1.071 593 L CA 2.718 57.414 54.840 -0.241 0.000 0.749 593 L CB -0.894 40.878 42.059 -0.478 0.000 0.890 593 L HN 0.393 nan 8.230 nan 0.000 0.431 594 T N -0.539 113.989 114.554 -0.043 0.000 2.652 594 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 594 T C 1.962 176.620 174.700 -0.070 0.000 1.039 594 T CA 1.435 63.530 62.100 -0.009 0.000 1.153 594 T CB -0.176 68.682 68.868 -0.016 0.000 0.863 594 T HN 0.196 nan 8.240 nan 0.000 0.428 595 K N 0.808 121.087 120.400 -0.200 0.000 2.063 595 K HA -0.043 4.277 4.320 -0.001 0.000 0.208 595 K C 2.475 178.990 176.600 -0.143 0.000 1.048 595 K CA 1.359 57.453 56.287 -0.322 0.000 0.928 595 K CB -0.149 31.801 32.500 -0.917 0.000 0.713 595 K HN 0.367 nan 8.250 nan 0.000 0.442 596 R N -0.896 119.563 120.500 -0.068 0.000 2.051 596 R HA 0.015 4.354 4.340 -0.001 0.000 0.218 596 R C 2.181 178.314 176.300 -0.278 0.000 1.188 596 R CA 0.801 56.852 56.100 -0.082 0.000 0.992 596 R CB -0.719 29.564 30.300 -0.029 0.000 0.883 596 R HN 0.083 nan 8.270 nan 0.000 0.444 597 Y N 0.667 120.982 120.300 0.024 0.000 2.563 597 Y HA -0.383 4.167 4.550 -0.001 0.000 0.232 597 Y C 1.353 177.272 175.900 0.031 0.000 1.408 597 Y CA 1.505 59.613 58.100 0.013 0.000 0.945 597 Y CB -1.550 36.907 38.460 -0.004 0.000 0.730 597 Y HN 0.499 nan 8.280 nan 0.000 0.549 598 G N -0.887 107.983 108.800 0.117 0.000 2.784 598 G HA2 0.364 4.323 3.960 -0.001 0.000 0.686 598 G HA3 0.364 4.323 3.960 -0.001 0.000 0.686 598 G C -0.362 174.602 174.900 0.107 0.000 1.156 598 G CA -0.752 44.403 45.100 0.092 0.000 0.757 598 G HN 1.093 nan 8.290 nan 0.000 0.642 599 A N 1.486 124.356 122.820 0.084 0.000 2.555 599 A HA 0.578 4.897 4.320 -0.001 0.000 0.233 599 A C 1.166 178.838 177.584 0.146 0.000 1.060 599 A CA 1.227 53.331 52.037 0.112 0.000 0.759 599 A CB 0.191 19.246 19.000 0.091 0.000 0.995 599 A HN 1.954 nan 8.150 nan 0.000 0.506 600 S N 0.710 116.542 115.700 0.220 0.000 2.513 600 S HA 0.422 4.891 4.470 -0.001 0.000 0.276 600 S C 1.265 175.961 174.600 0.160 0.000 1.254 600 S CA 0.002 58.330 58.200 0.212 0.000 1.053 600 S CB 1.486 64.916 63.200 0.383 0.000 0.958 600 S HN 1.065 nan 8.310 nan 0.000 0.491 601 A N 3.489 126.295 122.820 -0.023 0.000 2.030 601 A HA 0.212 4.532 4.320 -0.001 0.000 0.215 601 A C 0.640 178.026 177.584 -0.330 0.000 1.164 601 A CA 0.618 52.615 52.037 -0.065 0.000 0.697 601 A CB -0.323 18.632 19.000 -0.075 0.000 0.827 601 A HN 0.891 nan 8.150 nan 0.000 0.457 602 N N -3.795 114.444 118.700 -0.769 0.000 3.339 602 N HA 0.251 4.990 4.740 -0.001 0.000 0.275 602 N C -0.091 174.483 175.510 -1.560 0.000 1.514 602 N CA -0.372 51.812 53.050 -1.444 0.000 0.879 602 N CB 0.056 38.160 38.487 -0.638 0.000 1.557 602 N HN -0.078 nan 8.380 nan 0.000 0.524 603 L N 0.350 120.689 121.223 -1.473 0.000 2.012 603 L HA 0.033 4.373 4.340 -0.001 0.000 0.210 603 L C 1.214 177.903 176.870 -0.300 0.000 1.073 603 L CA 2.081 56.436 54.840 -0.808 0.000 0.748 603 L CB -1.286 40.571 42.059 -0.337 0.000 0.891 603 L HN 0.631 nan 8.230 nan 0.000 0.431 604 N N -0.033 118.497 118.700 -0.282 0.000 2.104 604 N HA -0.217 4.522 4.740 -0.001 0.000 0.190 604 N C 1.648 177.053 175.510 -0.176 0.000 1.024 604 N CA 1.551 54.493 53.050 -0.180 0.000 0.853 604 N CB -0.584 37.792 38.487 -0.184 0.000 1.008 604 N HN 0.485 nan 8.380 nan 0.000 0.424 605 D N -0.100 120.163 120.400 -0.229 0.000 2.104 605 D HA -0.150 4.490 4.640 -0.001 0.000 0.194 605 D C 1.776 178.046 176.300 -0.050 0.000 0.994 605 D CA 0.700 54.595 54.000 -0.174 0.000 0.830 605 D CB -0.310 40.385 40.800 -0.175 0.000 0.959 605 D HN 0.211 nan 8.370 nan 0.000 0.452 606 F N 0.307 120.162 119.950 -0.158 0.000 2.126 606 F HA -0.173 4.353 4.527 -0.001 0.000 0.299 606 F C 2.119 177.929 175.800 0.017 0.000 1.096 606 F CA 1.200 59.190 58.000 -0.017 0.000 1.255 606 F CB -0.335 38.708 39.000 0.073 0.000 0.997 606 F HN -0.106 nan 8.300 nan 0.000 0.479 607 V N 2.372 122.307 119.914 0.034 0.000 2.307 607 V HA -0.292 3.827 4.120 -0.001 0.000 0.245 607 V C 2.691 178.737 176.094 -0.079 0.000 1.045 607 V CA 2.185 64.471 62.300 -0.024 0.000 1.024 607 V CB -0.947 30.913 31.823 0.061 0.000 0.651 607 V HN 0.432 nan 8.190 nan 0.000 0.449 608 R N 1.002 121.460 120.500 -0.069 0.000 2.091 608 R HA -0.225 4.115 4.340 -0.001 0.000 0.238 608 R C 2.159 178.478 176.300 0.032 0.000 1.136 608 R CA 2.047 58.137 56.100 -0.018 0.000 0.959 608 R CB -0.489 29.731 30.300 -0.134 0.000 0.856 608 R HN 0.420 nan 8.270 nan 0.000 0.437 609 K N 0.572 120.933 120.400 -0.064 0.000 2.057 609 K HA -0.011 4.309 4.320 -0.001 0.000 0.206 609 K C 2.346 178.640 176.600 -0.510 0.000 1.050 609 K CA 1.313 57.415 56.287 -0.309 0.000 0.935 609 K CB -0.210 32.144 32.500 -0.243 0.000 0.715 609 K HN 0.312 nan 8.250 nan 0.000 0.439 610 A N 1.571 124.175 122.820 -0.361 0.000 1.917 610 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 610 A C 2.109 179.675 177.584 -0.029 0.000 1.182 610 A CA 1.529 53.491 52.037 -0.125 0.000 0.633 610 A CB -0.406 18.508 19.000 -0.143 0.000 0.819 610 A HN 0.205 nan 8.150 nan 0.000 0.448 611 Q N -0.128 119.624 119.800 -0.080 0.000 2.050 611 Q HA -0.065 4.274 4.340 -0.001 0.000 0.202 611 Q C 2.235 178.193 176.000 -0.070 0.000 0.980 611 Q CA 1.277 57.074 55.803 -0.010 0.000 0.840 611 Q CB -0.699 28.052 28.738 0.022 0.000 0.898 611 Q HN 0.726 nan 8.270 nan 0.000 0.424 612 L N 0.206 121.212 121.223 -0.361 0.000 2.012 612 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 612 L C 2.584 179.600 176.870 0.245 0.000 1.073 612 L CA 1.504 56.147 54.840 -0.330 0.000 0.748 612 L CB -0.727 40.851 42.059 -0.801 0.000 0.891 612 L HN 0.232 nan 8.230 nan 0.000 0.431 613 S N -0.529 115.159 115.700 -0.020 0.000 2.359 613 S HA -0.261 4.209 4.470 -0.001 0.000 0.224 613 S C 1.943 176.808 174.600 0.441 0.000 1.035 613 S CA 1.691 60.068 58.200 0.295 0.000 1.018 613 S CB -0.055 63.212 63.200 0.111 0.000 0.876 613 S HN 0.449 nan 8.310 nan 0.000 0.448 614 Q N -1.020 119.004 119.800 0.373 0.000 2.046 614 Q HA -0.092 4.247 4.340 -0.001 0.000 0.200 614 Q C 1.950 178.156 176.000 0.342 0.000 0.975 614 Q CA 1.829 57.844 55.803 0.354 0.000 0.836 614 Q CB -0.416 28.480 28.738 0.263 0.000 0.896 614 Q HN 0.772 nan 8.270 nan 0.000 0.428 615 Y N 1.707 122.167 120.300 0.266 0.000 2.081 615 Y HA -0.351 4.199 4.550 -0.001 0.000 0.280 615 Y C 2.418 178.473 175.900 0.259 0.000 1.163 615 Y CA 2.083 60.366 58.100 0.305 0.000 1.135 615 Y CB 0.036 38.771 38.460 0.458 0.000 0.970 615 Y HN 0.152 nan 8.280 nan 0.000 0.498 616 E N -0.232 120.331 120.200 0.605 0.000 2.085 616 E HA -0.289 4.060 4.350 -0.001 0.000 0.194 616 E C 2.065 178.818 176.600 0.255 0.000 0.994 616 E CA 1.411 58.001 56.400 0.317 0.000 0.801 616 E CB -0.331 29.577 29.700 0.347 0.000 0.743 616 E HN 0.510 nan 8.360 nan 0.000 0.453 617 N N -0.040 118.844 118.700 0.306 0.000 2.173 617 N HA -0.104 4.635 4.740 -0.001 0.000 0.184 617 N C 1.977 177.581 175.510 0.157 0.000 1.025 617 N CA 1.075 54.302 53.050 0.295 0.000 0.852 617 N CB 0.150 38.865 38.487 0.380 0.000 0.998 617 N HN 0.056 nan 8.380 nan 0.000 0.427 618 V N 1.897 121.879 119.914 0.112 0.000 2.358 618 V HA -0.158 3.962 4.120 -0.001 0.000 0.246 618 V C 2.663 178.753 176.094 -0.008 0.000 1.047 618 V CA 1.448 63.739 62.300 -0.015 0.000 1.035 618 V CB -0.560 31.195 31.823 -0.114 0.000 0.658 618 V HN 0.327 nan 8.190 nan 0.000 0.452 619 R N 0.540 121.030 120.500 -0.015 0.000 2.080 619 R HA -0.215 4.124 4.340 -0.001 0.000 0.236 619 R C 2.328 178.714 176.300 0.143 0.000 1.137 619 R CA 2.004 58.111 56.100 0.011 0.000 0.943 619 R CB -0.569 29.713 30.300 -0.031 0.000 0.846 619 R HN 0.456 nan 8.270 nan 0.000 0.431 620 A N 0.858 123.805 122.820 0.212 0.000 1.908 620 A HA -0.248 4.071 4.320 -0.001 0.000 0.218 620 A C 2.067 179.658 177.584 0.011 0.000 1.181 620 A CA 1.806 54.041 52.037 0.329 0.000 0.627 620 A CB -0.696 18.556 19.000 0.420 0.000 0.818 620 A HN 0.671 nan 8.150 nan 0.000 0.445 621 E N -1.294 118.649 120.200 -0.430 0.000 2.058 621 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 621 E C 1.676 177.925 176.600 -0.586 0.000 0.997 621 E CA 1.560 57.295 56.400 -1.107 0.000 0.801 621 E CB -0.242 28.495 29.700 -1.605 0.000 0.746 621 E HN 0.606 nan 8.360 nan 0.000 0.450 622 F N 1.125 120.875 119.950 -0.334 0.000 2.163 622 F HA -0.039 4.487 4.527 -0.001 0.000 0.297 622 F C 2.344 178.092 175.800 -0.087 0.000 1.094 622 F CA 1.238 59.099 58.000 -0.232 0.000 1.290 622 F CB -0.110 38.738 39.000 -0.254 0.000 1.017 622 F HN 0.051 nan 8.300 nan 0.000 0.483 623 E N -0.141 120.159 120.200 0.167 0.000 2.106 623 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 623 E C 2.353 179.033 176.600 0.132 0.000 0.984 623 E CA 1.516 58.048 56.400 0.219 0.000 0.806 623 E CB -0.244 29.679 29.700 0.372 0.000 0.750 623 E HN 0.398 nan 8.360 nan 0.000 0.458 624 S N 0.503 116.134 115.700 -0.115 0.000 2.370 624 S HA -0.229 4.240 4.470 -0.001 0.000 0.226 624 S C 1.766 176.251 174.600 -0.192 0.000 1.033 624 S CA 1.451 59.354 58.200 -0.494 0.000 1.011 624 S CB -0.521 62.099 63.200 -0.965 0.000 0.852 624 S HN 0.316 nan 8.310 nan 0.000 0.457 625 H N 1.116 120.091 119.070 -0.157 0.000 2.428 625 H HA 0.247 4.802 4.556 -0.001 0.000 0.296 625 H C 2.539 177.866 175.328 -0.002 0.000 1.062 625 H CA 1.346 57.335 56.048 -0.098 0.000 1.350 625 H CB -0.350 29.290 29.762 -0.202 0.000 1.403 625 H HN 0.376 nan 8.280 nan 0.000 0.533 626 S N -0.129 115.656 115.700 0.141 0.000 2.368 626 S HA -0.154 4.315 4.470 -0.001 0.000 0.225 626 S C 2.116 176.827 174.600 0.184 0.000 1.030 626 S CA 1.044 59.331 58.200 0.144 0.000 0.999 626 S CB -0.037 63.246 63.200 0.137 0.000 0.844 626 S HN 0.378 nan 8.310 nan 0.000 0.459 627 R N 1.308 121.905 120.500 0.162 0.000 2.081 627 R HA -0.033 4.306 4.340 -0.001 0.000 0.235 627 R C 0.976 177.360 176.300 0.140 0.000 1.131 627 R CA 1.480 57.678 56.100 0.163 0.000 0.960 627 R CB -0.212 30.207 30.300 0.199 0.000 0.856 627 R HN 0.260 nan 8.270 nan 0.000 0.436 628 N N -0.174 118.592 118.700 0.110 0.000 2.398 628 N HA -0.103 4.636 4.740 -0.001 0.000 0.188 628 N C 0.879 176.466 175.510 0.128 0.000 1.122 628 N CA 0.269 53.371 53.050 0.088 0.000 0.866 628 N CB -0.142 38.365 38.487 0.034 0.000 0.970 628 N HN 0.308 nan 8.380 nan 0.000 0.462 629 Y N 1.903 122.226 120.300 0.039 0.000 2.274 629 Y HA -0.156 4.394 4.550 -0.001 0.000 0.290 629 Y C 1.687 177.620 175.900 0.055 0.000 1.145 629 Y CA 1.487 59.618 58.100 0.051 0.000 1.203 629 Y CB -0.432 38.063 38.460 0.058 0.000 0.984 629 Y HN 0.067 nan 8.280 nan 0.000 0.533 630 T N -2.353 112.137 114.554 -0.106 0.000 3.186 630 T HA 0.166 4.516 4.350 -0.001 0.000 0.257 630 T C -0.104 174.545 174.700 -0.086 0.000 1.029 630 T CA -0.314 61.670 62.100 -0.193 0.000 0.916 630 T CB -0.419 68.379 68.868 -0.116 0.000 1.041 630 T HN -0.002 nan 8.240 nan 0.000 0.562 631 D N 2.144 122.521 120.400 -0.038 0.000 2.455 631 D HA 0.199 4.838 4.640 -0.001 0.000 0.241 631 D C 1.019 177.299 176.300 -0.032 0.000 1.138 631 D CA 0.009 53.998 54.000 -0.017 0.000 0.877 631 D CB 1.342 42.149 40.800 0.012 0.000 1.187 631 D HN 0.109 nan 8.370 nan 0.000 0.451 632 S N 0.508 116.191 115.700 -0.029 0.000 2.402 632 S HA -0.056 4.413 4.470 -0.001 0.000 0.229 632 S C 0.856 175.443 174.600 -0.022 0.000 1.021 632 S CA 0.831 59.014 58.200 -0.029 0.000 0.974 632 S CB 0.218 63.402 63.200 -0.027 0.000 0.800 632 S HN 0.463 nan 8.310 nan 0.000 0.484 633 T N 2.594 117.136 114.554 -0.021 0.000 2.848 633 T HA 0.318 4.668 4.350 -0.001 0.000 0.285 633 T C -0.463 174.231 174.700 -0.011 0.000 0.995 633 T CA -0.741 61.345 62.100 -0.023 0.000 0.970 633 T CB 1.018 69.860 68.868 -0.044 0.000 0.976 633 T HN 0.181 nan 8.240 nan 0.000 0.441 634 N N 2.496 121.203 118.700 0.011 0.000 2.669 634 N HA -0.115 4.625 4.740 -0.001 0.000 0.266 634 N C -2.565 173.019 175.510 0.122 0.000 1.024 634 N CA 0.266 53.359 53.050 0.073 0.000 0.766 634 N CB -0.591 37.900 38.487 0.006 0.000 0.898 634 N HN 0.440 nan 8.380 nan 0.000 0.548 635 P HA 0.033 nan 4.420 nan 0.000 0.272 635 P C 0.009 177.416 177.300 0.178 0.000 1.230 635 P CA -0.142 63.025 63.100 0.112 0.000 0.788 635 P CB 0.544 32.278 31.700 0.058 0.000 0.949 636 S N -0.188 115.607 115.700 0.159 0.000 2.510 636 S HA 0.189 4.658 4.470 -0.001 0.000 0.279 636 S C 1.091 175.839 174.600 0.247 0.000 1.284 636 S CA -0.026 58.255 58.200 0.135 0.000 1.059 636 S CB -0.430 62.772 63.200 0.003 0.000 0.901 636 S HN 0.647 nan 8.310 nan 0.000 0.491 637 T N -0.856 113.810 114.554 0.187 0.000 3.010 637 T HA 0.541 4.890 4.350 -0.001 0.000 0.257 637 T C 0.629 175.301 174.700 -0.046 0.000 1.020 637 T CA 0.096 62.347 62.100 0.253 0.000 0.938 637 T CB 0.113 69.205 68.868 0.373 0.000 1.049 637 T HN 1.215 nan 8.240 nan 0.000 0.522 638 G N 0.870 109.409 108.800 -0.434 0.000 2.596 638 G HA2 0.511 4.470 3.960 -0.001 0.000 0.296 638 G HA3 0.511 4.470 3.960 -0.001 0.000 0.296 638 G C -2.566 171.786 174.900 -0.913 0.000 1.513 638 G CA -0.817 43.560 45.100 -1.206 0.000 0.851 638 G HN 0.465 nan 8.290 nan 0.000 0.548 639 L N 2.174 122.947 121.223 -0.750 0.000 2.516 639 L HA 0.744 5.083 4.340 -0.001 0.000 0.267 639 L C -1.462 175.153 176.870 -0.424 0.000 0.957 639 L CA -0.861 53.566 54.840 -0.687 0.000 0.860 639 L CB 1.669 43.138 42.059 -0.984 0.000 1.265 639 L HN 0.442 nan 8.230 nan 0.000 0.403 640 I N 5.297 125.690 120.570 -0.295 0.000 2.354 640 I HA 0.215 4.385 4.170 -0.001 0.000 0.286 640 I C -0.563 175.487 176.117 -0.112 0.000 1.007 640 I CA -0.529 60.723 61.300 -0.080 0.000 1.167 640 I CB 1.149 39.189 38.000 0.067 0.000 1.320 640 I HN 0.672 nan 8.210 nan 0.000 0.458 641 Y N 6.318 126.513 120.300 -0.174 0.000 2.511 641 Y HA 0.031 4.581 4.550 -0.001 0.000 0.332 641 Y C -0.272 175.622 175.900 -0.011 0.000 1.177 641 Y CA 0.128 58.114 58.100 -0.189 0.000 1.422 641 Y CB 0.779 39.180 38.460 -0.099 0.000 1.271 641 Y HN 0.548 nan 8.280 nan 0.000 0.550 642 W N 10.467 131.143 121.300 -1.040 0.000 2.282 642 W HA 0.413 5.073 4.660 -0.001 0.000 0.322 642 W C -1.502 174.465 176.519 -0.920 0.000 1.011 642 W CA -0.701 56.100 57.345 -0.907 0.000 1.392 642 W CB 0.687 29.563 29.460 -0.973 0.000 1.215 642 W HN 0.618 nan 8.180 nan 0.000 0.394 643 M N 3.394 122.664 119.600 -0.550 0.000 2.755 643 M HA 0.197 4.676 4.480 -0.001 0.000 0.298 643 M C 0.898 177.118 176.300 -0.134 0.000 1.251 643 M CA -0.887 54.077 55.300 -0.561 0.000 0.817 643 M CB 1.899 33.843 32.600 -1.093 0.000 1.760 643 M HN 0.252 nan 8.290 nan 0.000 0.473 644 L N 1.820 122.940 121.223 -0.170 0.000 2.012 644 L HA -0.100 4.239 4.340 -0.001 0.000 0.210 644 L C 0.508 177.064 176.870 -0.523 0.000 1.073 644 L CA 1.853 56.591 54.840 -0.171 0.000 0.748 644 L CB -0.135 41.895 42.059 -0.048 0.000 0.891 644 L HN 0.891 nan 8.230 nan 0.000 0.431 645 N N -2.294 116.051 118.700 -0.591 0.000 2.732 645 N HA 0.208 4.947 4.740 -0.001 0.000 0.259 645 N C -1.323 173.902 175.510 -0.475 0.000 1.402 645 N CA -0.341 52.273 53.050 -0.727 0.000 0.829 645 N CB 1.390 39.313 38.487 -0.939 0.000 1.495 645 N HN -0.041 nan 8.380 nan 0.000 0.511 646 S N -0.617 114.875 115.700 -0.347 0.000 2.593 646 S HA 0.560 5.029 4.470 -0.001 0.000 0.297 646 S C -1.792 172.696 174.600 -0.185 0.000 1.112 646 S CA -1.835 56.235 58.200 -0.217 0.000 1.043 646 S CB 0.891 64.025 63.200 -0.110 0.000 1.054 646 S HN 0.497 nan 8.310 nan 0.000 0.516 647 P HA 0.086 nan 4.420 nan 0.000 0.230 647 P C -0.019 177.173 177.300 -0.181 0.000 1.158 647 P CA 0.947 63.876 63.100 -0.285 0.000 0.769 647 P CB -0.096 31.152 31.700 -0.753 0.000 0.807 648 W N -1.022 119.966 121.300 -0.520 0.000 3.019 648 W HA 0.362 5.021 4.660 -0.001 0.000 0.412 648 W C -1.216 174.786 176.519 -0.861 0.000 1.087 648 W CA -0.629 56.203 57.345 -0.855 0.000 1.170 648 W CB -0.772 28.296 29.460 -0.654 0.000 1.483 648 W HN -0.330 nan 8.180 nan 0.000 0.606 649 T N 1.373 115.125 114.554 -1.336 0.000 2.784 649 T HA 0.433 4.783 4.350 -0.001 0.000 0.291 649 T C -0.151 173.945 174.700 -1.007 0.000 0.942 649 T CA 0.173 61.650 62.100 -1.038 0.000 1.161 649 T CB 0.857 69.180 68.868 -0.909 0.000 0.885 649 T HN 0.689 nan 8.240 nan 0.000 0.534 650 S N 2.008 117.367 115.700 -0.568 0.000 2.627 650 S HA 0.603 5.072 4.470 -0.001 0.000 0.283 650 S C 0.284 174.756 174.600 -0.213 0.000 1.127 650 S CA -1.028 56.961 58.200 -0.352 0.000 0.863 650 S CB 1.191 64.327 63.200 -0.107 0.000 1.121 650 S HN 0.726 nan 8.310 nan 0.000 0.479 651 L N 2.329 123.454 121.223 -0.162 0.000 2.808 651 L HA 0.425 4.764 4.340 -0.001 0.000 0.246 651 L C 0.396 177.222 176.870 -0.074 0.000 1.153 651 L CA -0.164 54.598 54.840 -0.129 0.000 0.956 651 L CB -0.256 41.721 42.059 -0.137 0.000 1.270 651 L HN 0.781 nan 8.230 nan 0.000 0.528 652 H N -6.134 112.808 119.070 -0.213 0.000 2.990 652 H HA 0.212 4.767 4.556 -0.001 0.000 0.336 652 H C -1.195 174.083 175.328 -0.082 0.000 1.306 652 H CA -1.223 54.681 56.048 -0.242 0.000 1.118 652 H CB 0.752 30.184 29.762 -0.549 0.000 1.856 652 H HN -0.103 nan 8.280 nan 0.000 0.538 653 W N 1.688 122.828 121.300 -0.266 0.000 6.562 653 W HA -0.193 4.466 4.660 -0.001 0.000 0.418 653 W C -0.902 175.430 176.519 -0.311 0.000 1.645 653 W CA 1.243 58.325 57.345 -0.439 0.000 1.086 653 W CB -2.247 26.687 29.460 -0.876 0.000 2.865 653 W HN 0.893 nan 8.180 nan 0.000 1.517 654 Q N -2.133 117.726 119.800 0.098 0.000 2.435 654 Q HA 0.671 5.010 4.340 -0.001 0.000 0.282 654 Q C -0.227 175.797 176.000 0.039 0.000 1.020 654 Q CA -1.108 54.680 55.803 -0.025 0.000 0.820 654 Q CB 1.231 29.899 28.738 -0.117 0.000 1.436 654 Q HN 0.123 nan 8.270 nan 0.000 0.395 655 L N 0.223 121.395 121.223 -0.084 0.000 2.265 655 L HA 0.314 4.654 4.340 -0.001 0.000 0.195 655 L C 0.593 177.566 176.870 0.172 0.000 1.083 655 L CA 0.396 55.210 54.840 -0.043 0.000 0.798 655 L CB 0.191 42.168 42.059 -0.136 0.000 0.989 655 L HN 0.673 nan 8.230 nan 0.000 0.472 656 F N 0.388 120.466 119.950 0.214 0.000 2.425 656 F HA 0.547 5.074 4.527 -0.001 0.000 0.331 656 F C -0.102 175.738 175.800 0.066 0.000 1.085 656 F CA -1.876 56.244 58.000 0.200 0.000 1.028 656 F CB 0.151 39.392 39.000 0.402 0.000 1.177 656 F HN -0.016 nan 8.300 nan 0.000 0.487 657 D N 1.636 122.160 120.400 0.207 0.000 2.451 657 D HA 0.423 5.063 4.640 -0.001 0.000 0.259 657 D C 1.069 177.388 176.300 0.031 0.000 1.201 657 D CA -0.348 53.668 54.000 0.026 0.000 1.028 657 D CB 0.687 41.472 40.800 -0.025 0.000 1.095 657 D HN 0.750 nan 8.370 nan 0.000 0.539 658 A N -0.841 121.844 122.820 -0.226 0.000 2.024 658 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 658 A C 1.442 178.878 177.584 -0.245 0.000 1.164 658 A CA 1.088 52.937 52.037 -0.314 0.000 0.643 658 A CB -1.071 17.515 19.000 -0.691 0.000 0.806 658 A HN 0.602 nan 8.150 nan 0.000 0.451 659 Y N -2.027 118.327 120.300 0.089 0.000 2.466 659 Y HA 0.237 4.787 4.550 -0.001 0.000 0.272 659 Y C 0.980 176.914 175.900 0.056 0.000 1.169 659 Y CA 0.059 58.208 58.100 0.082 0.000 1.285 659 Y CB 0.068 38.564 38.460 0.061 0.000 1.078 659 Y HN 0.179 nan 8.280 nan 0.000 0.523 660 M N -0.953 118.762 119.600 0.191 0.000 2.976 660 M HA -0.234 4.246 4.480 -0.001 0.000 0.209 660 M C -0.587 175.839 176.300 0.210 0.000 0.579 660 M CA 0.417 55.796 55.300 0.132 0.000 0.783 660 M CB -1.886 30.643 32.600 -0.117 0.000 2.807 660 M HN 0.275 nan 8.290 nan 0.000 0.362 661 D N 1.585 122.089 120.400 0.173 0.000 2.344 661 D HA 0.476 5.115 4.640 -0.001 0.000 0.244 661 D C 0.103 176.378 176.300 -0.042 0.000 1.134 661 D CA 0.454 54.499 54.000 0.075 0.000 0.930 661 D CB 0.672 41.523 40.800 0.086 0.000 1.175 661 D HN 0.377 nan 8.370 nan 0.000 0.437 662 Q N 1.370 121.046 119.800 -0.207 0.000 2.330 662 Q HA 0.339 4.678 4.340 -0.001 0.000 0.269 662 Q C -0.260 175.451 176.000 -0.482 0.000 1.022 662 Q CA -0.951 54.535 55.803 -0.529 0.000 0.796 662 Q CB 1.766 29.908 28.738 -0.994 0.000 1.271 662 Q HN 0.454 nan 8.270 nan 0.000 0.450 663 N N 0.370 118.837 118.700 -0.389 0.000 3.061 663 N HA 0.329 5.068 4.740 -0.001 0.000 0.346 663 N C 0.883 176.292 175.510 -0.169 0.000 1.392 663 N CA -0.233 52.701 53.050 -0.194 0.000 0.762 663 N CB -0.264 38.205 38.487 -0.029 0.000 1.367 663 N HN 0.463 nan 8.380 nan 0.000 0.607 664 G N -0.642 108.249 108.800 0.152 0.000 2.422 664 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.218 664 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.218 664 G C 1.345 176.420 174.900 0.292 0.000 1.146 664 G CA 1.558 46.900 45.100 0.403 0.000 0.769 664 G HN 0.795 nan 8.290 nan 0.000 0.547 665 A N -0.053 122.843 122.820 0.126 0.000 1.873 665 A HA 0.007 4.326 4.320 -0.001 0.000 0.215 665 A C 2.157 179.687 177.584 -0.090 0.000 1.186 665 A CA 1.578 53.628 52.037 0.022 0.000 0.616 665 A CB -0.726 18.289 19.000 0.024 0.000 0.823 665 A HN 0.426 nan 8.150 nan 0.000 0.442 666 Y N -0.617 119.565 120.300 -0.197 0.000 2.081 666 Y HA -0.330 4.220 4.550 -0.001 0.000 0.280 666 Y C 2.270 178.054 175.900 -0.194 0.000 1.163 666 Y CA 2.472 60.425 58.100 -0.245 0.000 1.135 666 Y CB -0.424 37.830 38.460 -0.343 0.000 0.970 666 Y HN 0.405 nan 8.280 nan 0.000 0.498 667 Y N -0.520 119.863 120.300 0.138 0.000 2.293 667 Y HA -0.023 4.526 4.550 -0.001 0.000 0.291 667 Y C 2.569 178.248 175.900 -0.367 0.000 1.137 667 Y CA 0.725 58.848 58.100 0.040 0.000 1.202 667 Y CB -1.303 37.331 38.460 0.290 0.000 0.990 667 Y HN 0.197 nan 8.280 nan 0.000 0.537 668 G N -0.493 108.010 108.800 -0.494 0.000 2.394 668 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.215 668 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.215 668 G C 1.956 176.546 174.900 -0.517 0.000 1.165 668 G CA 0.912 45.453 45.100 -0.931 0.000 0.784 668 G HN 0.443 nan 8.290 nan 0.000 0.535 669 A N 0.683 123.231 122.820 -0.454 0.000 1.902 669 A HA -0.006 4.314 4.320 -0.001 0.000 0.217 669 A C 2.202 179.419 177.584 -0.611 0.000 1.181 669 A CA 2.126 53.798 52.037 -0.607 0.000 0.623 669 A CB -0.401 18.185 19.000 -0.689 0.000 0.818 669 A HN 0.396 nan 8.150 nan 0.000 0.443 670 K N -0.328 119.784 120.400 -0.482 0.000 2.025 670 K HA -0.212 4.107 4.320 -0.001 0.000 0.207 670 K C 2.166 178.603 176.600 -0.271 0.000 1.049 670 K CA 1.756 57.828 56.287 -0.358 0.000 0.933 670 K CB -0.137 32.233 32.500 -0.215 0.000 0.714 670 K HN 0.246 nan 8.250 nan 0.000 0.438 671 K N 1.080 121.346 120.400 -0.223 0.000 2.001 671 K HA -0.138 4.182 4.320 -0.001 0.000 0.214 671 K C 1.807 178.218 176.600 -0.314 0.000 1.050 671 K CA 2.039 58.246 56.287 -0.133 0.000 0.934 671 K CB -0.872 31.595 32.500 -0.056 0.000 0.718 671 K HN 0.231 nan 8.250 nan 0.000 0.443 672 A N 0.840 123.436 122.820 -0.373 0.000 1.958 672 A HA -0.187 4.132 4.320 -0.001 0.000 0.221 672 A C 1.573 178.775 177.584 -0.636 0.000 1.178 672 A CA 2.097 53.851 52.037 -0.472 0.000 0.642 672 A CB -0.593 18.278 19.000 -0.214 0.000 0.816 672 A HN 0.544 nan 8.150 nan 0.000 0.453 673 N N 0.518 118.899 118.700 -0.532 0.000 2.276 673 N HA 0.034 4.773 4.740 -0.001 0.000 0.212 673 N C -0.012 175.319 175.510 -0.299 0.000 1.127 673 N CA 0.132 52.931 53.050 -0.417 0.000 0.834 673 N CB 0.201 38.400 38.487 -0.480 0.000 1.014 673 N HN 0.843 nan 8.380 nan 0.000 0.491 674 E N 1.972 121.990 120.200 -0.304 0.000 2.398 674 E HA 0.078 4.427 4.350 -0.001 0.000 0.263 674 E C -1.667 174.909 176.600 -0.040 0.000 1.046 674 E CA -1.213 55.116 56.400 -0.119 0.000 0.908 674 E CB 1.101 30.786 29.700 -0.024 0.000 0.963 674 E HN -0.044 nan 8.360 nan 0.000 0.431 675 P HA -0.063 nan 4.420 nan 0.000 0.220 675 P C 0.099 177.425 177.300 0.042 0.000 1.148 675 P CA 0.744 63.845 63.100 0.000 0.000 0.803 675 P CB 0.225 31.918 31.700 -0.012 0.000 0.782 676 L N -0.363 120.903 121.223 0.072 0.000 2.415 676 L HA 0.464 4.804 4.340 -0.001 0.000 0.268 676 L C -1.057 175.902 176.870 0.148 0.000 0.984 676 L CA -0.864 54.030 54.840 0.090 0.000 0.853 676 L CB 1.307 43.399 42.059 0.055 0.000 1.215 676 L HN -0.080 nan 8.230 nan 0.000 0.419 677 H N 3.797 122.892 119.070 0.042 0.000 2.679 677 H HA 0.664 5.220 4.556 -0.001 0.000 0.360 677 H C -1.551 173.825 175.328 0.080 0.000 1.105 677 H CA -0.506 55.576 56.048 0.058 0.000 1.196 677 H CB 1.810 31.603 29.762 0.051 0.000 1.636 677 H HN 0.569 nan 8.280 nan 0.000 0.531 678 I N 4.657 124.920 120.570 -0.511 0.000 2.530 678 I HA 0.372 4.542 4.170 -0.001 0.000 0.297 678 I C -1.403 174.431 176.117 -0.472 0.000 1.011 678 I CA -0.465 60.631 61.300 -0.339 0.000 1.107 678 I CB 1.217 39.155 38.000 -0.104 0.000 1.285 678 I HN 0.850 nan 8.210 nan 0.000 0.436 679 Q N 5.902 125.623 119.800 -0.132 0.000 2.435 679 Q HA 0.326 4.666 4.340 -0.001 0.000 0.282 679 Q C -2.085 173.954 176.000 0.065 0.000 1.020 679 Q CA -0.920 54.955 55.803 0.119 0.000 0.820 679 Q CB 2.275 31.170 28.738 0.262 0.000 1.436 679 Q HN 0.652 nan 8.270 nan 0.000 0.395 680 Y N 0.933 121.066 120.300 -0.279 0.000 2.335 680 Y HA 0.481 5.031 4.550 -0.001 0.000 0.338 680 Y C -1.035 174.571 175.900 -0.490 0.000 0.977 680 Y CA -0.499 57.249 58.100 -0.586 0.000 1.114 680 Y CB 2.132 39.820 38.460 -1.288 0.000 1.182 680 Y HN 0.741 nan 8.280 nan 0.000 0.463 681 S N 5.630 120.817 115.700 -0.855 0.000 2.448 681 S HA 0.066 4.536 4.470 -0.001 0.000 0.279 681 S C 0.488 174.432 174.600 -1.093 0.000 1.195 681 S CA -0.362 57.334 58.200 -0.839 0.000 1.051 681 S CB 0.107 62.947 63.200 -0.600 0.000 0.948 681 S HN 0.875 nan 8.310 nan 0.000 0.493 682 H N 2.058 120.625 119.070 -0.838 0.000 2.456 682 H HA -0.123 4.432 4.556 -0.001 0.000 0.296 682 H C 1.859 176.944 175.328 -0.405 0.000 1.079 682 H CA 1.867 57.668 56.048 -0.412 0.000 1.322 682 H CB 0.140 29.874 29.762 -0.047 0.000 1.388 682 H HN 0.661 nan 8.280 nan 0.000 0.538 683 D N 0.205 120.299 120.400 -0.510 0.000 2.110 683 D HA -0.126 4.513 4.640 -0.001 0.000 0.202 683 D C 1.293 177.466 176.300 -0.210 0.000 0.975 683 D CA 1.364 55.231 54.000 -0.223 0.000 0.839 683 D CB -0.453 40.285 40.800 -0.103 0.000 0.996 683 D HN 0.511 nan 8.370 nan 0.000 0.464 684 N N -0.910 117.608 118.700 -0.302 0.000 2.159 684 N HA 0.101 4.840 4.740 -0.001 0.000 0.217 684 N C -0.036 175.299 175.510 -0.293 0.000 1.223 684 N CA -0.323 52.591 53.050 -0.226 0.000 0.896 684 N CB 0.187 38.578 38.487 -0.160 0.000 1.064 684 N HN 0.107 nan 8.380 nan 0.000 0.518 685 R N -0.427 119.770 120.500 -0.505 0.000 3.878 685 R HA -0.143 4.197 4.340 -0.001 0.000 0.330 685 R C -0.739 175.252 176.300 -0.515 0.000 1.186 685 R CA 0.941 56.647 56.100 -0.658 0.000 0.885 685 R CB -2.793 27.352 30.300 -0.257 0.000 1.377 685 R HN 0.577 nan 8.270 nan 0.000 0.523 686 S N -0.396 115.041 115.700 -0.439 0.000 2.548 686 S HA 0.449 4.919 4.470 -0.001 0.000 0.277 686 S C 0.557 174.993 174.600 -0.272 0.000 1.315 686 S CA -0.835 57.205 58.200 -0.267 0.000 1.050 686 S CB 2.123 65.222 63.200 -0.169 0.000 0.918 686 S HN 0.109 nan 8.310 nan 0.000 0.497 687 V N 4.281 124.120 119.914 -0.124 0.000 2.406 687 V HA 0.404 4.524 4.120 -0.001 0.000 0.272 687 V C -0.103 175.976 176.094 -0.026 0.000 1.043 687 V CA -0.442 61.829 62.300 -0.047 0.000 0.915 687 V CB 0.929 32.768 31.823 0.026 0.000 0.988 687 V HN 0.841 nan 8.190 nan 0.000 0.466 688 V N 5.734 125.641 119.914 -0.011 0.000 2.735 688 V HA 0.514 4.633 4.120 -0.001 0.000 0.310 688 V C -0.305 175.804 176.094 0.026 0.000 1.061 688 V CA -0.671 61.640 62.300 0.018 0.000 0.913 688 V CB 2.369 34.221 31.823 0.048 0.000 1.005 688 V HN 0.564 nan 8.190 nan 0.000 0.428 689 V N 5.377 125.312 119.914 0.035 0.000 2.435 689 V HA 0.533 4.653 4.120 -0.001 0.000 0.290 689 V C -0.407 175.735 176.094 0.079 0.000 1.030 689 V CA -0.502 61.822 62.300 0.040 0.000 0.881 689 V CB 1.657 33.497 31.823 0.029 0.000 0.983 689 V HN 0.565 nan 8.190 nan 0.000 0.445 690 I N 3.962 124.601 120.570 0.116 0.000 2.433 690 I HA 0.420 4.589 4.170 -0.001 0.000 0.292 690 I C -0.320 175.870 176.117 0.120 0.000 1.001 690 I CA -0.594 60.790 61.300 0.140 0.000 1.119 690 I CB 1.769 39.884 38.000 0.192 0.000 1.289 690 I HN 0.611 nan 8.210 nan 0.000 0.438 691 N N 5.544 124.301 118.700 0.096 0.000 2.511 691 N HA 0.214 4.953 4.740 -0.001 0.000 0.249 691 N C 0.542 176.092 175.510 0.066 0.000 0.971 691 N CA -0.259 52.835 53.050 0.072 0.000 0.938 691 N CB 1.207 39.727 38.487 0.056 0.000 1.131 691 N HN 0.324 nan 8.380 nan 0.000 0.505 692 Q N 0.574 120.401 119.800 0.046 0.000 2.389 692 Q HA 0.016 4.355 4.340 -0.001 0.000 0.204 692 Q C 0.528 176.533 176.000 0.009 0.000 0.944 692 Q CA 0.397 56.212 55.803 0.022 0.000 0.908 692 Q CB -0.368 28.364 28.738 -0.011 0.000 1.002 692 Q HN 0.790 nan 8.270 nan 0.000 0.493 693 T N -1.166 113.392 114.554 0.006 0.000 2.813 693 T HA 0.093 4.442 4.350 -0.001 0.000 0.297 693 T C 1.352 176.041 174.700 -0.018 0.000 1.036 693 T CA 0.195 62.285 62.100 -0.015 0.000 1.044 693 T CB 0.948 69.805 68.868 -0.019 0.000 0.993 693 T HN 0.162 nan 8.240 nan 0.000 0.535 694 S N 0.561 116.230 115.700 -0.052 0.000 2.607 694 S HA 0.067 4.537 4.470 -0.001 0.000 0.224 694 S C 0.442 175.007 174.600 -0.057 0.000 0.969 694 S CA -0.417 57.741 58.200 -0.070 0.000 0.927 694 S CB -0.551 62.556 63.200 -0.155 0.000 0.772 694 S HN 0.719 nan 8.310 nan 0.000 0.533 695 N N 1.403 120.079 118.700 -0.040 0.000 2.284 695 N HA 0.563 5.303 4.740 -0.001 0.000 0.300 695 N C -0.692 174.814 175.510 -0.007 0.000 1.047 695 N CA -0.312 52.722 53.050 -0.028 0.000 0.821 695 N CB 1.903 40.367 38.487 -0.037 0.000 1.337 695 N HN 0.272 nan 8.380 nan 0.000 0.482 696 A N 1.190 124.010 122.820 0.001 0.000 2.555 696 A HA 0.309 4.629 4.320 -0.001 0.000 0.233 696 A C 0.134 177.722 177.584 0.005 0.000 1.060 696 A CA 0.170 52.212 52.037 0.009 0.000 0.759 696 A CB 0.234 19.240 19.000 0.010 0.000 0.995 696 A HN 0.415 nan 8.150 nan 0.000 0.506 697 V N 1.498 121.419 119.914 0.011 0.000 2.823 697 V HA 0.710 4.829 4.120 -0.001 0.000 0.312 697 V C 0.290 176.389 176.094 0.009 0.000 1.072 697 V CA -0.330 61.975 62.300 0.008 0.000 0.937 697 V CB 2.301 34.131 31.823 0.012 0.000 1.013 697 V HN 1.037 nan 8.190 nan 0.000 0.430 698 S N 0.747 116.450 115.700 0.006 0.000 2.661 698 S HA 0.729 5.199 4.470 -0.001 0.000 0.285 698 S C 0.492 175.095 174.600 0.004 0.000 1.138 698 S CA 0.190 58.394 58.200 0.005 0.000 0.855 698 S CB 1.717 64.919 63.200 0.003 0.000 1.136 698 S HN 1.857 nan 8.310 nan 0.000 0.484 699 G N 1.025 109.827 108.800 0.003 0.000 2.283 699 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.280 699 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.280 699 G C -0.252 174.649 174.900 0.002 0.000 1.029 699 G CA 0.428 45.529 45.100 0.002 0.000 0.840 699 G HN 0.483 nan 8.290 nan 0.000 0.505 700 L N 0.328 121.554 121.223 0.005 0.000 2.350 700 L HA 0.611 4.950 4.340 -0.001 0.000 0.275 700 L C 1.030 177.902 176.870 0.003 0.000 1.099 700 L CA 0.020 54.864 54.840 0.006 0.000 0.808 700 L CB 1.660 43.725 42.059 0.010 0.000 1.149 700 L HN 0.275 nan 8.230 nan 0.000 0.442 701 T N 1.783 116.338 114.554 0.001 0.000 2.797 701 T HA 0.702 5.052 4.350 -0.001 0.000 0.279 701 T C -0.474 174.225 174.700 -0.001 0.000 0.991 701 T CA -0.621 61.477 62.100 -0.002 0.000 0.979 701 T CB 1.273 70.137 68.868 -0.008 0.000 0.943 701 T HN 0.663 nan 8.240 nan 0.000 0.444 702 A N 4.150 126.969 122.820 -0.002 0.000 2.258 702 A HA 0.658 4.978 4.320 -0.001 0.000 0.316 702 A C 0.199 177.781 177.584 -0.003 0.000 1.279 702 A CA -0.659 51.379 52.037 0.001 0.000 0.876 702 A CB 0.642 19.646 19.000 0.007 0.000 1.170 702 A HN 0.851 nan 8.150 nan 0.000 0.520 703 T N 2.085 116.636 114.554 -0.006 0.000 2.786 703 T HA 0.557 4.906 4.350 -0.001 0.000 0.283 703 T C -0.088 174.608 174.700 -0.007 0.000 0.992 703 T CA -0.222 61.865 62.100 -0.021 0.000 0.954 703 T CB 1.217 70.062 68.868 -0.037 0.000 0.934 703 T HN 0.796 nan 8.240 nan 0.000 0.440 704 T N 3.125 117.681 114.554 0.003 0.000 2.809 704 T HA 0.598 4.947 4.350 -0.001 0.000 0.284 704 T C -0.983 173.742 174.700 0.042 0.000 0.992 704 T CA -0.801 61.336 62.100 0.061 0.000 0.957 704 T CB 0.433 69.383 68.868 0.136 0.000 0.942 704 T HN 0.447 nan 8.240 nan 0.000 0.439 705 K N 4.359 124.773 120.400 0.024 0.000 2.443 705 K HA 0.565 4.884 4.320 -0.001 0.000 0.252 705 K C -0.807 175.773 176.600 -0.034 0.000 0.933 705 K CA -0.816 55.418 56.287 -0.089 0.000 0.792 705 K CB 2.267 34.638 32.500 -0.217 0.000 1.185 705 K HN 0.556 nan 8.250 nan 0.000 0.425 706 L N 2.969 124.155 121.223 -0.062 0.000 2.334 706 L HA 0.543 4.882 4.340 -0.001 0.000 0.275 706 L C -0.960 175.770 176.870 -0.234 0.000 1.036 706 L CA -0.997 53.848 54.840 0.007 0.000 0.807 706 L CB 0.595 42.683 42.059 0.049 0.000 1.231 706 L HN 0.530 nan 8.230 nan 0.000 0.438 707 Y N 0.276 120.709 120.300 0.222 0.000 2.421 707 Y HA 0.317 4.866 4.550 -0.001 0.000 0.339 707 Y C 0.119 176.148 175.900 0.215 0.000 0.996 707 Y CA -1.131 57.105 58.100 0.226 0.000 1.046 707 Y CB 1.511 40.186 38.460 0.358 0.000 1.226 707 Y HN 0.500 nan 8.280 nan 0.000 0.445 708 N N 1.840 120.708 118.700 0.281 0.000 2.340 708 N HA 0.100 4.839 4.740 -0.001 0.000 0.236 708 N C 0.999 176.627 175.510 0.197 0.000 1.296 708 N CA 0.025 53.202 53.050 0.211 0.000 0.896 708 N CB 0.715 39.279 38.487 0.128 0.000 1.127 708 N HN 0.740 nan 8.380 nan 0.000 0.442 709 L N 0.354 121.650 121.223 0.122 0.000 2.456 709 L HA -0.136 4.204 4.340 -0.001 0.000 0.224 709 L C 1.188 178.080 176.870 0.036 0.000 1.148 709 L CA 0.926 55.794 54.840 0.046 0.000 0.825 709 L CB -0.442 41.623 42.059 0.011 0.000 0.937 709 L HN 0.597 nan 8.230 nan 0.000 0.450 710 D N -0.777 119.664 120.400 0.068 0.000 2.349 710 D HA 0.000 4.640 4.640 -0.001 0.000 0.215 710 D C 1.438 177.785 176.300 0.078 0.000 1.016 710 D CA 0.894 54.929 54.000 0.057 0.000 0.870 710 D CB 0.347 41.181 40.800 0.056 0.000 0.917 710 D HN 0.223 nan 8.370 nan 0.000 0.524 711 G N -0.495 108.384 108.800 0.132 0.000 2.176 711 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.232 711 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.232 711 G C 0.311 175.426 174.900 0.359 0.000 0.986 711 G CA 0.156 45.375 45.100 0.199 0.000 0.643 711 G HN 0.419 nan 8.290 nan 0.000 0.522 712 T N 1.520 116.233 114.554 0.264 0.000 2.799 712 T HA 0.386 4.735 4.350 -0.001 0.000 0.296 712 T C 0.356 175.185 174.700 0.216 0.000 0.947 712 T CA 0.312 62.537 62.100 0.208 0.000 1.141 712 T CB 1.531 70.467 68.868 0.112 0.000 0.891 712 T HN 0.424 nan 8.240 nan 0.000 0.533 713 E N 2.448 122.715 120.200 0.112 0.000 2.344 713 E HA 0.064 4.414 4.350 -0.001 0.000 0.270 713 E C 0.478 176.997 176.600 -0.135 0.000 1.021 713 E CA -0.401 55.867 56.400 -0.220 0.000 0.887 713 E CB 0.381 29.915 29.700 -0.276 0.000 0.997 713 E HN 0.380 nan 8.360 nan 0.000 0.429 714 K N 3.333 123.636 120.400 -0.162 0.000 2.412 714 K HA 0.076 4.395 4.320 -0.001 0.000 0.202 714 K C -0.730 175.871 176.600 0.003 0.000 1.102 714 K CA -0.013 56.235 56.287 -0.066 0.000 1.027 714 K CB 0.777 33.239 32.500 -0.064 0.000 0.931 714 K HN 0.534 nan 8.250 nan 0.000 0.557 715 Y N -0.408 119.769 120.300 -0.204 0.000 2.521 715 Y HA 0.415 4.964 4.550 -0.001 0.000 0.332 715 Y C -1.692 174.100 175.900 -0.181 0.000 1.121 715 Y CA -0.878 57.127 58.100 -0.159 0.000 1.037 715 Y CB 1.890 40.271 38.460 -0.132 0.000 1.330 715 Y HN -0.159 nan 8.280 nan 0.000 0.452 716 S N 4.282 119.452 115.700 -0.884 0.000 2.548 716 S HA 0.630 5.099 4.470 -0.001 0.000 0.276 716 S C -2.119 171.983 174.600 -0.831 0.000 1.129 716 S CA -0.586 57.204 58.200 -0.682 0.000 0.931 716 S CB 1.210 64.193 63.200 -0.361 0.000 1.068 716 S HN 0.814 nan 8.310 nan 0.000 0.480 717 N N 1.289 119.680 118.700 -0.515 0.000 2.287 717 N HA 0.575 5.314 4.740 -0.001 0.000 0.289 717 N C -1.855 173.574 175.510 -0.135 0.000 1.066 717 N CA -0.289 52.586 53.050 -0.291 0.000 0.841 717 N CB 2.151 40.554 38.487 -0.140 0.000 1.599 717 N HN 0.432 nan 8.380 nan 0.000 0.476 718 T N 2.095 116.589 114.554 -0.100 0.000 2.847 718 T HA 0.330 4.680 4.350 -0.001 0.000 0.291 718 T C -0.932 173.745 174.700 -0.038 0.000 0.998 718 T CA -0.446 61.617 62.100 -0.061 0.000 0.967 718 T CB 0.870 69.700 68.868 -0.063 0.000 0.954 718 T HN 0.359 nan 8.240 nan 0.000 0.441 719 K N 3.334 123.722 120.400 -0.021 0.000 2.367 719 K HA 0.533 4.853 4.320 -0.001 0.000 0.263 719 K C 0.119 176.714 176.600 -0.009 0.000 1.000 719 K CA -0.475 55.805 56.287 -0.011 0.000 0.891 719 K CB 0.427 32.926 32.500 -0.001 0.000 1.117 719 K HN 0.695 nan 8.250 nan 0.000 0.443 720 T N 0.142 114.690 114.554 -0.010 0.000 2.948 720 T HA 0.607 4.957 4.350 -0.001 0.000 0.285 720 T C 0.727 175.424 174.700 -0.005 0.000 1.019 720 T CA -0.224 61.871 62.100 -0.008 0.000 1.013 720 T CB 1.442 70.303 68.868 -0.011 0.000 1.117 720 T HN 0.945 nan 8.240 nan 0.000 0.533 721 G N 0.692 109.490 108.800 -0.003 0.000 2.246 721 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.273 721 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.273 721 G C -0.132 174.769 174.900 0.001 0.000 1.055 721 G CA 0.162 45.261 45.100 -0.001 0.000 0.851 721 G HN 0.872 nan 8.290 nan 0.000 0.500 722 L N 0.384 121.609 121.223 0.003 0.000 2.371 722 L HA 0.574 4.913 4.340 -0.001 0.000 0.272 722 L C 0.653 177.528 176.870 0.009 0.000 1.124 722 L CA -0.279 54.565 54.840 0.006 0.000 0.816 722 L CB 1.602 43.666 42.059 0.008 0.000 1.129 722 L HN 0.182 nan 8.230 nan 0.000 0.448 723 S N 1.727 117.433 115.700 0.010 0.000 2.513 723 S HA 0.686 5.155 4.470 -0.001 0.000 0.299 723 S C -1.053 173.558 174.600 0.017 0.000 1.087 723 S CA -0.525 57.682 58.200 0.012 0.000 1.012 723 S CB 2.339 65.544 63.200 0.009 0.000 1.044 723 S HN 0.372 nan 8.310 nan 0.000 0.485 724 V N 2.711 122.638 119.914 0.021 0.000 2.851 724 V HA 0.821 4.940 4.120 -0.001 0.000 0.307 724 V C 0.319 176.431 176.094 0.031 0.000 1.129 724 V CA -0.296 62.022 62.300 0.030 0.000 0.932 724 V CB 1.526 33.372 31.823 0.039 0.000 1.024 724 V HN 0.946 nan 8.190 nan 0.000 0.426 725 G N 3.769 112.591 108.800 0.036 0.000 2.683 725 G HA2 0.600 4.559 3.960 -0.001 0.000 0.260 725 G HA3 0.600 4.559 3.960 -0.001 0.000 0.260 725 G C 0.229 175.158 174.900 0.048 0.000 1.238 725 G CA -0.013 45.109 45.100 0.037 0.000 0.934 725 G HN 1.627 nan 8.290 nan 0.000 0.534 726 A N -1.100 121.748 122.820 0.047 0.000 2.304 726 A HA 0.588 4.908 4.320 -0.001 0.000 0.271 726 A C 0.859 178.494 177.584 0.085 0.000 1.091 726 A CA -0.368 51.698 52.037 0.049 0.000 0.812 726 A CB 0.052 19.069 19.000 0.029 0.000 1.056 726 A HN 1.488 nan 8.150 nan 0.000 0.489 727 L N -0.096 121.175 121.223 0.080 0.000 3.548 727 L HA -0.282 4.057 4.340 -0.001 0.000 0.443 727 L C 1.134 178.117 176.870 0.188 0.000 1.286 727 L CA 0.644 55.550 54.840 0.111 0.000 0.863 727 L CB -2.084 40.052 42.059 0.129 0.000 1.734 727 L HN 1.972 nan 8.230 nan 0.000 0.873 728 G N -2.096 106.803 108.800 0.164 0.000 2.179 728 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.220 728 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.220 728 G C 0.485 175.559 174.900 0.289 0.000 0.990 728 G CA 0.004 45.247 45.100 0.238 0.000 0.646 728 G HN 1.355 nan 8.290 nan 0.000 0.517 729 A N 0.168 123.104 122.820 0.193 0.000 2.475 729 A HA 0.610 4.930 4.320 -0.001 0.000 0.239 729 A C 0.664 178.315 177.584 0.112 0.000 1.087 729 A CA 1.382 53.492 52.037 0.123 0.000 0.779 729 A CB 0.250 19.297 19.000 0.079 0.000 1.036 729 A HN 1.516 nan 8.150 nan 0.000 0.506 730 K N -0.838 119.612 120.400 0.083 0.000 2.466 730 K HA 0.834 5.154 4.320 -0.001 0.000 0.260 730 K C -0.988 175.642 176.600 0.051 0.000 1.011 730 K CA -0.439 55.895 56.287 0.078 0.000 0.871 730 K CB 2.164 34.718 32.500 0.090 0.000 1.404 730 K HN 1.243 nan 8.250 nan 0.000 0.450 731 A N 0.727 123.574 122.820 0.045 0.000 2.520 731 A HA 0.558 4.877 4.320 -0.001 0.000 0.298 731 A C -1.249 176.348 177.584 0.023 0.000 1.051 731 A CA -0.789 51.265 52.037 0.028 0.000 0.690 731 A CB 1.980 20.994 19.000 0.024 0.000 1.281 731 A HN 0.599 nan 8.150 nan 0.000 0.402 732 T N 1.970 116.532 114.554 0.012 0.000 2.767 732 T HA 0.517 4.866 4.350 -0.001 0.000 0.288 732 T C 1.292 175.993 174.700 0.003 0.000 0.963 732 T CA 0.333 62.435 62.100 0.003 0.000 1.019 732 T CB 1.541 70.406 68.868 -0.006 0.000 0.923 732 T HN 1.025 nan 8.240 nan 0.000 0.468 733 A N 3.858 126.681 122.820 0.004 0.000 1.844 733 A HA 0.513 4.833 4.320 -0.001 0.000 0.212 733 A C 0.840 178.432 177.584 0.012 0.000 1.221 733 A CA 0.619 52.661 52.037 0.009 0.000 0.607 733 A CB 0.037 19.045 19.000 0.014 0.000 0.878 733 A HN 0.609 nan 8.150 nan 0.000 0.451 734 V N -1.873 118.050 119.914 0.014 0.000 3.216 734 V HA 0.505 4.625 4.120 -0.001 0.000 0.302 734 V C -1.414 174.676 176.094 -0.007 0.000 1.286 734 V CA -0.463 61.851 62.300 0.023 0.000 1.048 734 V CB 2.198 34.066 31.823 0.076 0.000 1.081 734 V HN 0.256 nan 8.190 nan 0.000 0.442 735 T N 3.153 117.696 114.554 -0.019 0.000 2.770 735 T HA 0.456 4.806 4.350 -0.001 0.000 0.297 735 T C -0.410 174.247 174.700 -0.072 0.000 0.997 735 T CA -0.188 61.873 62.100 -0.065 0.000 0.949 735 T CB 1.029 69.853 68.868 -0.072 0.000 0.941 735 T HN 0.587 nan 8.240 nan 0.000 0.457 736 V N 7.900 127.748 119.914 -0.110 0.000 2.540 736 V HA 0.149 4.268 4.120 -0.001 0.000 0.297 736 V C -1.419 174.529 176.094 -0.243 0.000 1.024 736 V CA -1.204 60.947 62.300 -0.248 0.000 1.105 736 V CB -0.161 31.548 31.823 -0.191 0.000 0.938 736 V HN 0.703 nan 8.190 nan 0.000 0.482 737 P HA 0.312 nan 4.420 nan 0.000 0.276 737 P C -0.607 176.572 177.300 -0.201 0.000 1.252 737 P CA -0.563 62.425 63.100 -0.187 0.000 0.802 737 P CB 0.872 32.497 31.700 -0.126 0.000 1.035 738 A N 1.424 124.169 122.820 -0.125 0.000 2.491 738 A HA 0.309 4.628 4.320 -0.001 0.000 0.261 738 A C 0.115 177.623 177.584 -0.128 0.000 1.101 738 A CA -0.088 51.882 52.037 -0.112 0.000 0.772 738 A CB -0.661 18.298 19.000 -0.068 0.000 1.043 738 A HN 0.340 nan 8.150 nan 0.000 0.501 739 V N 3.669 123.482 119.914 -0.168 0.000 2.398 739 V HA 0.386 4.505 4.120 -0.001 0.000 0.286 739 V C 0.878 176.895 176.094 -0.130 0.000 1.026 739 V CA -0.159 62.049 62.300 -0.152 0.000 0.868 739 V CB 1.554 33.255 31.823 -0.203 0.000 0.982 739 V HN 1.076 nan 8.190 nan 0.000 0.443 740 S N 4.040 119.691 115.700 -0.081 0.000 2.576 740 S HA 0.479 4.948 4.470 -0.001 0.000 0.276 740 S C 1.225 175.785 174.600 -0.068 0.000 1.339 740 S CA 0.571 58.733 58.200 -0.063 0.000 1.039 740 S CB 0.834 64.011 63.200 -0.038 0.000 0.902 740 S HN 2.248 nan 8.310 nan 0.000 0.516 741 G N 2.287 111.053 108.800 -0.057 0.000 2.159 741 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.256 741 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.256 741 G C 0.039 174.902 174.900 -0.061 0.000 0.977 741 G CA 0.250 45.323 45.100 -0.046 0.000 0.652 741 G HN 0.852 nan 8.290 nan 0.000 0.531 742 L N 2.052 123.205 121.223 -0.117 0.000 2.453 742 L HA 0.384 4.724 4.340 -0.001 0.000 0.272 742 L C 1.573 178.424 176.870 -0.031 0.000 1.182 742 L CA 0.194 54.938 54.840 -0.160 0.000 0.858 742 L CB 0.770 42.562 42.059 -0.445 0.000 1.120 742 L HN 0.469 nan 8.230 nan 0.000 0.474 743 S N 0.797 116.523 115.700 0.043 0.000 2.573 743 S HA 0.024 4.494 4.470 -0.001 0.000 0.277 743 S C 1.192 175.884 174.600 0.153 0.000 1.346 743 S CA -0.464 57.790 58.200 0.091 0.000 1.034 743 S CB 1.109 64.370 63.200 0.101 0.000 0.879 743 S HN 0.683 nan 8.310 nan 0.000 0.528 744 T N 1.950 116.573 114.554 0.115 0.000 2.653 744 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 744 T C 0.756 175.549 174.700 0.154 0.000 1.035 744 T CA 1.906 64.077 62.100 0.119 0.000 1.154 744 T CB -0.542 68.368 68.868 0.071 0.000 0.862 744 T HN 0.802 nan 8.240 nan 0.000 0.441 745 T N 2.095 116.718 114.554 0.116 0.000 2.771 745 T HA 0.578 4.927 4.350 -0.001 0.000 0.281 745 T C -0.794 173.987 174.700 0.135 0.000 0.982 745 T CA -0.763 61.370 62.100 0.056 0.000 0.978 745 T CB 0.713 69.575 68.868 -0.010 0.000 0.930 745 T HN 0.434 nan 8.240 nan 0.000 0.447 746 Y N 1.047 121.362 120.300 0.024 0.000 2.669 746 Y HA 0.836 5.386 4.550 -0.001 0.000 0.335 746 Y C -1.624 174.316 175.900 0.067 0.000 1.116 746 Y CA -1.875 56.251 58.100 0.043 0.000 1.081 746 Y CB 1.062 39.551 38.460 0.047 0.000 1.297 746 Y HN 0.388 nan 8.280 nan 0.000 0.484 747 L N 2.183 123.559 121.223 0.254 0.000 2.325 747 L HA 0.869 5.208 4.340 -0.001 0.000 0.278 747 L C -0.485 176.601 176.870 0.359 0.000 1.023 747 L CA -1.327 53.664 54.840 0.251 0.000 0.811 747 L CB 1.949 44.220 42.059 0.354 0.000 1.249 747 L HN 0.896 nan 8.230 nan 0.000 0.431 748 A N 3.069 126.019 122.820 0.217 0.000 2.304 748 A HA 0.503 4.822 4.320 -0.001 0.000 0.314 748 A C -0.693 177.031 177.584 0.233 0.000 1.187 748 A CA -0.585 51.539 52.037 0.146 0.000 0.810 748 A CB 0.947 19.808 19.000 -0.231 0.000 1.183 748 A HN 0.664 nan 8.150 nan 0.000 0.487 749 K N 3.353 123.872 120.400 0.198 0.000 2.293 749 K HA 0.304 4.623 4.320 -0.001 0.000 0.267 749 K C -1.036 175.603 176.600 0.065 0.000 1.010 749 K CA -0.242 56.097 56.287 0.088 0.000 0.875 749 K CB 0.466 32.816 32.500 -0.250 0.000 1.106 749 K HN 0.863 nan 8.250 nan 0.000 0.450 750 N N 2.946 121.714 118.700 0.114 0.000 2.392 750 N HA 0.321 5.061 4.740 -0.001 0.000 0.283 750 N C -1.475 174.069 175.510 0.058 0.000 1.003 750 N CA -0.785 52.319 53.050 0.090 0.000 0.892 750 N CB 2.153 40.723 38.487 0.138 0.000 1.193 750 N HN 0.121 nan 8.380 nan 0.000 0.487 751 V N 2.922 122.849 119.914 0.023 0.000 2.577 751 V HA 0.375 4.494 4.120 -0.001 0.000 0.303 751 V C -0.682 175.417 176.094 0.008 0.000 1.042 751 V CA -0.744 61.563 62.300 0.013 0.000 0.872 751 V CB 1.837 33.656 31.823 -0.007 0.000 0.998 751 V HN 0.466 nan 8.190 nan 0.000 0.423 752 L N 5.239 126.469 121.223 0.012 0.000 2.307 752 L HA 0.914 5.253 4.340 -0.001 0.000 0.284 752 L C 0.168 177.046 176.870 0.013 0.000 1.023 752 L CA 0.416 55.261 54.840 0.010 0.000 0.810 752 L CB 2.031 44.095 42.059 0.008 0.000 1.231 752 L HN 0.913 nan 8.230 nan 0.000 0.423 753 T N 0.220 114.780 114.554 0.009 0.000 2.886 753 T HA 0.621 4.970 4.350 -0.001 0.000 0.292 753 T C -0.626 174.078 174.700 0.008 0.000 1.012 753 T CA -0.896 61.209 62.100 0.009 0.000 0.982 753 T CB 1.433 70.303 68.868 0.004 0.000 1.018 753 T HN 0.625 nan 8.240 nan 0.000 0.451 754 D N 1.219 121.625 120.400 0.009 0.000 2.433 754 D HA 0.239 4.878 4.640 -0.001 0.000 0.255 754 D C 1.569 177.872 176.300 0.004 0.000 1.226 754 D CA -0.304 53.701 54.000 0.007 0.000 1.015 754 D CB 0.329 41.133 40.800 0.008 0.000 1.091 754 D HN 0.494 nan 8.370 nan 0.000 0.527 755 S N -1.200 114.502 115.700 0.003 0.000 2.469 755 S HA -0.182 4.287 4.470 -0.001 0.000 0.238 755 S C 1.695 176.295 174.600 0.000 0.000 0.998 755 S CA 0.886 59.087 58.200 0.001 0.000 0.957 755 S CB -0.864 62.336 63.200 -0.000 0.000 0.764 755 S HN 0.594 nan 8.310 nan 0.000 0.514 756 S N 0.412 116.113 115.700 0.001 0.000 2.558 756 S HA 0.432 4.901 4.470 -0.001 0.000 0.217 756 S C 1.649 176.250 174.600 0.002 0.000 0.975 756 S CA 0.570 58.770 58.200 0.001 0.000 0.912 756 S CB -0.483 62.718 63.200 0.001 0.000 0.776 756 S HN 1.343 nan 8.310 nan 0.000 0.526 757 G N 1.238 110.040 108.800 0.003 0.000 2.195 757 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.246 757 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.246 757 G C 0.013 174.917 174.900 0.006 0.000 0.984 757 G CA 0.186 45.287 45.100 0.003 0.000 0.633 757 G HN 0.709 nan 8.290 nan 0.000 0.525 758 K N 1.424 121.829 120.400 0.008 0.000 2.484 758 K HA 0.186 4.505 4.320 -0.001 0.000 0.280 758 K C 0.391 177.000 176.600 0.014 0.000 1.013 758 K CA 0.023 56.317 56.287 0.011 0.000 1.029 758 K CB 0.235 32.742 32.500 0.010 0.000 0.902 758 K HN 0.418 nan 8.250 nan 0.000 0.481 759 E N 3.656 123.867 120.200 0.018 0.000 2.265 759 E HA 0.002 4.351 4.350 -0.001 0.000 0.272 759 E C 0.676 177.292 176.600 0.028 0.000 1.067 759 E CA -0.339 56.075 56.400 0.023 0.000 0.900 759 E CB 0.641 30.357 29.700 0.026 0.000 1.017 759 E HN 0.522 nan 8.360 nan 0.000 0.431 760 V N 0.913 120.846 119.914 0.030 0.000 3.621 760 V HA 0.286 4.405 4.120 -0.001 0.000 0.263 760 V C 0.414 176.541 176.094 0.054 0.000 1.272 760 V CA 0.143 62.465 62.300 0.037 0.000 1.080 760 V CB 0.948 32.790 31.823 0.032 0.000 0.816 760 V HN 0.359 nan 8.190 nan 0.000 0.451 761 S N 0.554 116.286 115.700 0.054 0.000 2.603 761 S HA 0.625 5.094 4.470 -0.001 0.000 0.274 761 S C -0.953 173.687 174.600 0.067 0.000 1.168 761 S CA -0.706 57.540 58.200 0.075 0.000 0.963 761 S CB 1.827 65.073 63.200 0.077 0.000 1.078 761 S HN 0.643 nan 8.310 nan 0.000 0.477 762 R N 3.355 123.910 120.500 0.092 0.000 2.480 762 R HA 0.559 4.899 4.340 -0.001 0.000 0.306 762 R C -1.589 174.799 176.300 0.146 0.000 0.958 762 R CA -0.554 55.606 56.100 0.101 0.000 0.861 762 R CB 0.949 31.308 30.300 0.098 0.000 1.171 762 R HN 0.582 nan 8.270 nan 0.000 0.445 763 N N 3.439 122.239 118.700 0.166 0.000 2.480 763 N HA 0.272 5.012 4.740 -0.001 0.000 0.289 763 N C -1.820 173.849 175.510 0.264 0.000 1.073 763 N CA -0.352 52.826 53.050 0.214 0.000 0.885 763 N CB 2.178 40.818 38.487 0.255 0.000 1.421 763 N HN 0.271 nan 8.380 nan 0.000 0.503 764 V N 4.640 124.690 119.914 0.226 0.000 2.384 764 V HA 0.456 4.575 4.120 -0.001 0.000 0.287 764 V C -0.848 175.358 176.094 0.187 0.000 1.020 764 V CA -0.524 61.980 62.300 0.339 0.000 0.850 764 V CB 0.649 32.774 31.823 0.504 0.000 0.987 764 V HN 0.489 nan 8.190 nan 0.000 0.436 765 Y N 3.056 123.421 120.300 0.108 0.000 2.352 765 Y HA 0.509 5.059 4.550 -0.001 0.000 0.339 765 Y C -0.048 175.832 175.900 -0.034 0.000 0.992 765 Y CA -0.815 57.194 58.100 -0.151 0.000 1.100 765 Y CB 1.464 39.720 38.460 -0.339 0.000 1.192 765 Y HN 0.790 nan 8.280 nan 0.000 0.458 766 W N 4.198 125.534 121.300 0.061 0.000 2.335 766 W HA 0.767 5.427 4.660 -0.001 0.000 0.307 766 W C -1.950 174.474 176.519 -0.158 0.000 1.117 766 W CA -0.869 56.394 57.345 -0.136 0.000 1.228 766 W CB 0.165 29.506 29.460 -0.199 0.000 1.240 766 W HN 0.216 nan 8.180 nan 0.000 0.468 767 L N 3.371 124.393 121.223 -0.335 0.000 2.309 767 L HA 0.695 5.035 4.340 -0.001 0.000 0.261 767 L C 0.047 176.626 176.870 -0.484 0.000 1.021 767 L CA -1.167 53.375 54.840 -0.497 0.000 0.823 767 L CB 2.168 43.721 42.059 -0.843 0.000 1.366 767 L HN 0.567 nan 8.230 nan 0.000 0.423 768 S N -1.565 114.016 115.700 -0.198 0.000 2.566 768 S HA 0.351 4.821 4.470 -0.001 0.000 0.298 768 S C 0.682 175.395 174.600 0.188 0.000 1.083 768 S CA -0.128 58.075 58.200 0.006 0.000 0.978 768 S CB 1.675 64.887 63.200 0.020 0.000 1.073 768 S HN 0.758 nan 8.310 nan 0.000 0.491 769 T N 0.449 115.149 114.554 0.242 0.000 3.072 769 T HA 0.151 4.500 4.350 -0.001 0.000 0.266 769 T C 0.580 175.347 174.700 0.111 0.000 1.127 769 T CA 0.641 62.855 62.100 0.190 0.000 1.107 769 T CB -0.235 68.708 68.868 0.125 0.000 0.910 769 T HN 0.439 nan 8.240 nan 0.000 0.513 770 K N 1.685 122.142 120.400 0.094 0.000 2.234 770 K HA 0.622 4.941 4.320 -0.001 0.000 0.277 770 K C -0.340 176.301 176.600 0.068 0.000 1.038 770 K CA -0.671 55.659 56.287 0.072 0.000 0.888 770 K CB 0.959 33.500 32.500 0.068 0.000 1.091 770 K HN 0.281 nan 8.250 nan 0.000 0.467 771 A N 4.104 126.958 122.820 0.056 0.000 2.425 771 A HA 0.120 4.439 4.320 -0.001 0.000 0.249 771 A C -0.436 177.161 177.584 0.021 0.000 1.084 771 A CA -0.359 51.705 52.037 0.045 0.000 0.781 771 A CB 0.262 19.283 19.000 0.034 0.000 1.019 771 A HN 0.778 nan 8.150 nan 0.000 0.490 772 D N 1.339 121.746 120.400 0.011 0.000 2.390 772 D HA 0.344 4.983 4.640 -0.001 0.000 0.249 772 D C 0.297 176.541 176.300 -0.094 0.000 1.144 772 D CA 0.939 54.906 54.000 -0.054 0.000 0.880 772 D CB 1.193 41.971 40.800 -0.036 0.000 1.182 772 D HN 0.605 nan 8.370 nan 0.000 0.451 773 T N 0.627 115.075 114.554 -0.178 0.000 2.900 773 T HA 0.566 4.915 4.350 -0.001 0.000 0.295 773 T C -0.597 173.905 174.700 -0.330 0.000 1.044 773 T CA -0.837 61.149 62.100 -0.191 0.000 0.995 773 T CB 0.955 69.755 68.868 -0.112 0.000 1.072 773 T HN 0.134 nan 8.240 nan 0.000 0.473 774 L N 3.840 124.796 121.223 -0.445 0.000 2.312 774 L HA 0.491 4.831 4.340 -0.001 0.000 0.281 774 L C 0.769 177.274 176.870 -0.607 0.000 1.070 774 L CA -0.815 53.583 54.840 -0.736 0.000 0.805 774 L CB 1.035 42.191 42.059 -1.504 0.000 1.174 774 L HN 0.648 nan 8.230 nan 0.000 0.434 775 N N 1.988 120.412 118.700 -0.461 0.000 2.767 775 N HA 0.054 4.793 4.740 -0.001 0.000 0.238 775 N C 0.465 175.848 175.510 -0.212 0.000 1.083 775 N CA -0.093 52.804 53.050 -0.255 0.000 0.964 775 N CB 0.306 38.700 38.487 -0.153 0.000 1.252 775 N HN 0.558 nan 8.380 nan 0.000 0.512 776 W N 1.944 123.202 121.300 -0.070 0.000 2.342 776 W HA -0.030 4.629 4.660 -0.001 0.000 0.297 776 W C 2.228 178.707 176.519 -0.066 0.000 1.213 776 W CA 0.695 57.998 57.345 -0.069 0.000 1.251 776 W CB -0.041 29.385 29.460 -0.057 0.000 1.136 776 W HN 0.533 nan 8.180 nan 0.000 0.526 777 G N -0.204 108.692 108.800 0.159 0.000 2.509 777 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.218 777 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.218 777 G C 1.546 176.465 174.900 0.031 0.000 1.124 777 G CA 0.803 45.953 45.100 0.085 0.000 0.776 777 G HN 0.376 nan 8.290 nan 0.000 0.547 778 G N 0.123 108.910 108.800 -0.021 0.000 2.985 778 G HA2 0.251 4.211 3.960 -0.001 0.000 0.209 778 G HA3 0.251 4.211 3.960 -0.001 0.000 0.209 778 G C 0.656 175.449 174.900 -0.178 0.000 1.165 778 G CA -0.017 45.038 45.100 -0.075 0.000 0.776 778 G HN 0.306 nan 8.290 nan 0.000 0.541 779 S N 0.764 116.382 115.700 -0.136 0.000 2.549 779 S HA 0.220 4.689 4.470 -0.001 0.000 0.286 779 S C -0.122 174.393 174.600 -0.143 0.000 1.314 779 S CA -0.137 57.941 58.200 -0.203 0.000 1.062 779 S CB 1.499 64.707 63.200 0.013 0.000 0.865 779 S HN 0.346 nan 8.310 nan 0.000 0.498 780 D N 0.623 120.868 120.400 -0.258 0.000 2.616 780 D HA 0.283 4.922 4.640 -0.001 0.000 0.260 780 D C 1.191 177.515 176.300 0.039 0.000 1.158 780 D CA -0.832 53.135 54.000 -0.055 0.000 1.085 780 D CB 0.522 41.261 40.800 -0.100 0.000 1.222 780 D HN 0.693 nan 8.370 nan 0.000 0.626 781 W N 0.934 122.344 121.300 0.183 0.000 2.465 781 W HA -0.145 4.514 4.660 -0.001 0.000 0.268 781 W C 0.857 177.623 176.519 0.413 0.000 1.242 781 W CA 0.658 58.171 57.345 0.280 0.000 1.248 781 W CB -0.906 28.744 29.460 0.317 0.000 1.118 781 W HN 0.427 nan 8.180 nan 0.000 0.587 782 Y N -0.881 119.241 120.300 -0.297 0.000 2.445 782 Y HA 0.403 4.952 4.550 -0.001 0.000 0.247 782 Y C -0.082 175.900 175.900 0.137 0.000 1.129 782 Y CA -0.950 57.055 58.100 -0.159 0.000 1.251 782 Y CB -0.824 37.226 38.460 -0.683 0.000 1.176 782 Y HN 0.023 nan 8.280 nan 0.000 0.522 783 Y N -1.846 118.140 120.300 -0.523 0.000 2.741 783 Y HA 0.716 5.266 4.550 -0.001 0.000 0.339 783 Y C -1.724 173.983 175.900 -0.321 0.000 1.226 783 Y CA -1.449 56.407 58.100 -0.407 0.000 1.072 783 Y CB 1.215 39.460 38.460 -0.358 0.000 1.331 783 Y HN -0.188 nan 8.280 nan 0.000 0.453 784 T N 4.570 118.768 114.554 -0.593 0.000 2.840 784 T HA 0.457 4.806 4.350 -0.001 0.000 0.287 784 T C -2.932 171.398 174.700 -0.617 0.000 0.991 784 T CA -1.444 60.269 62.100 -0.644 0.000 0.964 784 T CB 1.655 70.353 68.868 -0.283 0.000 0.954 784 T HN 0.458 nan 8.240 nan 0.000 0.438 785 P HA 0.213 nan 4.420 nan 0.000 0.274 785 P C -0.720 176.425 177.300 -0.258 0.000 1.246 785 P CA -0.560 62.411 63.100 -0.216 0.000 0.795 785 P CB 0.844 32.478 31.700 -0.110 0.000 1.006 786 Q N -0.169 119.502 119.800 -0.215 0.000 2.245 786 Q HA 0.250 4.590 4.340 -0.001 0.000 0.256 786 Q C 0.961 176.761 176.000 -0.334 0.000 0.942 786 Q CA -0.389 55.149 55.803 -0.441 0.000 0.896 786 Q CB 1.285 29.481 28.738 -0.904 0.000 1.272 786 Q HN 0.464 nan 8.270 nan 0.000 0.442 787 S N 0.122 115.642 115.700 -0.301 0.000 2.503 787 S HA 0.403 4.873 4.470 -0.001 0.000 0.217 787 S C 0.401 174.932 174.600 -0.114 0.000 0.999 787 S CA 0.107 58.217 58.200 -0.150 0.000 0.914 787 S CB 0.558 63.687 63.200 -0.118 0.000 0.782 787 S HN 0.596 nan 8.310 nan 0.000 0.520 788 A N 0.350 123.020 122.820 -0.251 0.000 2.589 788 A HA 0.705 5.025 4.320 -0.001 0.000 0.296 788 A C -1.782 175.625 177.584 -0.296 0.000 1.062 788 A CA -0.767 51.204 52.037 -0.110 0.000 0.686 788 A CB 0.710 19.699 19.000 -0.017 0.000 1.282 788 A HN 0.223 nan 8.150 nan 0.000 0.404 789 F N 1.078 121.034 119.950 0.009 0.000 2.495 789 F HA 0.683 5.209 4.527 -0.001 0.000 0.327 789 F C 0.924 176.727 175.800 0.005 0.000 1.103 789 F CA -0.104 57.904 58.000 0.013 0.000 0.949 789 F CB 2.113 41.118 39.000 0.007 0.000 1.142 789 F HN 0.858 nan 8.300 nan 0.000 0.457 790 A N 1.291 124.204 122.820 0.156 0.000 2.466 790 A HA 0.251 4.571 4.320 -0.001 0.000 0.238 790 A C -0.395 177.224 177.584 0.059 0.000 1.074 790 A CA -0.015 52.074 52.037 0.086 0.000 0.774 790 A CB 0.025 19.055 19.000 0.049 0.000 1.015 790 A HN 0.683 nan 8.150 nan 0.000 0.498 791 D N 1.534 121.948 120.400 0.024 0.000 2.464 791 D HA 0.433 5.072 4.640 -0.001 0.000 0.243 791 D C 0.045 176.316 176.300 -0.048 0.000 1.104 791 D CA -0.185 53.811 54.000 -0.006 0.000 0.883 791 D CB 0.355 41.170 40.800 0.025 0.000 1.050 791 D HN 0.347 nan 8.370 nan 0.000 0.524 792 L N 2.397 123.536 121.223 -0.141 0.000 2.728 792 L HA 0.087 4.426 4.340 -0.001 0.000 0.238 792 L C 2.049 178.843 176.870 -0.126 0.000 1.143 792 L CA -0.050 54.681 54.840 -0.182 0.000 0.937 792 L CB 0.097 41.925 42.059 -0.385 0.000 1.225 792 L HN 0.282 nan 8.230 nan 0.000 0.507 793 S N -0.335 115.331 115.700 -0.057 0.000 2.474 793 S HA -0.103 4.366 4.470 -0.001 0.000 0.235 793 S C 2.059 176.690 174.600 0.052 0.000 0.997 793 S CA 0.862 59.078 58.200 0.027 0.000 0.949 793 S CB -0.545 62.675 63.200 0.033 0.000 0.766 793 S HN 0.450 nan 8.310 nan 0.000 0.517 794 G N 2.265 111.079 108.800 0.023 0.000 2.462 794 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.220 794 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.220 794 G C 1.326 176.249 174.900 0.040 0.000 1.121 794 G CA 0.917 46.036 45.100 0.031 0.000 0.758 794 G HN 0.559 nan 8.290 nan 0.000 0.559 795 L N 0.185 121.414 121.223 0.010 0.000 2.129 795 L HA -0.170 4.169 4.340 -0.001 0.000 0.212 795 L C 2.594 179.688 176.870 0.373 0.000 1.087 795 L CA 1.306 56.163 54.840 0.030 0.000 0.757 795 L CB -0.588 41.309 42.059 -0.270 0.000 0.896 795 L HN 0.243 nan 8.230 nan 0.000 0.434 796 N N 0.076 118.965 118.700 0.315 0.000 2.192 796 N HA -0.175 4.564 4.740 -0.001 0.000 0.188 796 N C 1.062 176.661 175.510 0.149 0.000 1.013 796 N CA 1.225 54.428 53.050 0.255 0.000 0.863 796 N CB -0.039 38.541 38.487 0.154 0.000 0.990 796 N HN 0.376 nan 8.380 nan 0.000 0.430 797 N N 0.128 118.902 118.700 0.123 0.000 2.200 797 N HA 0.053 4.792 4.740 -0.001 0.000 0.224 797 N C -0.577 174.974 175.510 0.068 0.000 1.179 797 N CA -0.269 52.824 53.050 0.071 0.000 0.877 797 N CB 0.451 38.968 38.487 0.049 0.000 1.072 797 N HN 0.131 nan 8.380 nan 0.000 0.519 798 L N 2.321 123.608 121.223 0.107 0.000 2.584 798 L HA 0.160 4.500 4.340 -0.001 0.000 0.272 798 L C 0.995 177.901 176.870 0.060 0.000 1.195 798 L CA -0.064 54.821 54.840 0.074 0.000 0.920 798 L CB -0.225 41.899 42.059 0.107 0.000 1.173 798 L HN 0.119 nan 8.230 nan 0.000 0.489 799 G N 4.598 113.410 108.800 0.020 0.000 2.559 799 G HA2 0.050 4.010 3.960 -0.001 0.000 0.235 799 G HA3 0.050 4.010 3.960 -0.001 0.000 0.235 799 G C -0.210 174.690 174.900 0.001 0.000 1.266 799 G CA -0.614 44.489 45.100 0.005 0.000 0.847 799 G HN 0.715 nan 8.290 nan 0.000 0.583 800 Q N -0.191 119.601 119.800 -0.012 0.000 2.337 800 Q HA 0.231 4.570 4.340 -0.001 0.000 0.270 800 Q C 0.489 176.472 176.000 -0.028 0.000 1.002 800 Q CA 0.120 55.910 55.803 -0.020 0.000 0.888 800 Q CB 1.474 30.193 28.738 -0.032 0.000 1.222 800 Q HN 0.469 nan 8.270 nan 0.000 0.400 801 S N 0.082 115.763 115.700 -0.033 0.000 2.788 801 S HA 0.895 5.364 4.470 -0.001 0.000 0.291 801 S C -1.446 173.129 174.600 -0.042 0.000 1.061 801 S CA -0.017 58.154 58.200 -0.048 0.000 0.923 801 S CB 1.365 64.520 63.200 -0.075 0.000 1.339 801 S HN 0.686 nan 8.310 nan 0.000 0.591 802 A N 0.100 122.893 122.820 -0.044 0.000 2.574 802 A HA 0.717 5.037 4.320 -0.001 0.000 0.297 802 A C -1.544 176.017 177.584 -0.038 0.000 1.062 802 A CA -0.453 51.561 52.037 -0.038 0.000 0.686 802 A CB 1.454 20.436 19.000 -0.030 0.000 1.285 802 A HN 1.085 nan 8.150 nan 0.000 0.403 803 V N 1.251 121.143 119.914 -0.037 0.000 2.733 803 V HA 0.735 4.854 4.120 -0.001 0.000 0.306 803 V C 0.507 176.584 176.094 -0.028 0.000 1.084 803 V CA 1.092 63.371 62.300 -0.035 0.000 0.905 803 V CB 1.452 33.246 31.823 -0.049 0.000 1.010 803 V HN 2.761 nan 8.190 nan 0.000 0.424 804 G N 4.535 113.323 108.800 -0.019 0.000 2.167 804 G HA2 0.258 4.218 3.960 -0.001 0.000 0.194 804 G HA3 0.258 4.218 3.960 -0.001 0.000 0.194 804 G C 0.014 174.908 174.900 -0.010 0.000 1.027 804 G CA 0.073 45.165 45.100 -0.014 0.000 0.717 804 G HN 1.992 nan 8.290 nan 0.000 0.501 805 A N -0.399 122.416 122.820 -0.008 0.000 2.355 805 A HA 0.932 5.251 4.320 -0.001 0.000 0.317 805 A C -0.118 177.471 177.584 0.009 0.000 1.094 805 A CA 0.061 52.097 52.037 -0.000 0.000 0.764 805 A CB 2.069 21.066 19.000 -0.005 0.000 1.230 805 A HN 0.824 nan 8.150 nan 0.000 0.448 806 T N 1.019 115.583 114.554 0.018 0.000 2.921 806 T HA 0.683 5.032 4.350 -0.001 0.000 0.297 806 T C -0.614 174.107 174.700 0.034 0.000 1.013 806 T CA 0.158 62.271 62.100 0.021 0.000 0.990 806 T CB 1.302 70.180 68.868 0.016 0.000 1.023 806 T HN 1.442 nan 8.240 nan 0.000 0.447 807 A N 3.989 126.830 122.820 0.035 0.000 2.386 807 A HA 0.849 5.169 4.320 -0.001 0.000 0.311 807 A C -0.648 176.956 177.584 0.033 0.000 1.068 807 A CA -0.767 51.298 52.037 0.046 0.000 0.743 807 A CB 1.293 20.331 19.000 0.063 0.000 1.258 807 A HN 0.792 nan 8.150 nan 0.000 0.429 808 N N 0.250 118.968 118.700 0.030 0.000 2.416 808 N HA 0.634 5.374 4.740 -0.001 0.000 0.276 808 N C -1.363 174.154 175.510 0.011 0.000 1.261 808 N CA -0.327 52.733 53.050 0.017 0.000 0.790 808 N CB 1.990 40.482 38.487 0.009 0.000 1.554 808 N HN 0.531 nan 8.380 nan 0.000 0.481 809 S N 0.573 116.275 115.700 0.003 0.000 2.542 809 S HA 0.531 5.000 4.470 -0.001 0.000 0.293 809 S C -1.008 173.571 174.600 -0.035 0.000 1.089 809 S CA -0.562 57.631 58.200 -0.013 0.000 0.961 809 S CB 2.019 65.230 63.200 0.018 0.000 1.062 809 S HN 0.316 nan 8.310 nan 0.000 0.483 810 V N 2.222 122.094 119.914 -0.069 0.000 2.409 810 V HA 0.589 4.708 4.120 -0.001 0.000 0.290 810 V C 0.119 176.149 176.094 -0.106 0.000 1.017 810 V CA -0.881 61.375 62.300 -0.073 0.000 0.841 810 V CB 1.141 32.924 31.823 -0.067 0.000 1.003 810 V HN 1.038 nan 8.190 nan 0.000 0.426 811 A N 4.049 126.818 122.820 -0.086 0.000 2.444 811 A HA 0.640 4.959 4.320 -0.001 0.000 0.273 811 A C 0.831 178.365 177.584 -0.083 0.000 1.136 811 A CA 0.518 52.499 52.037 -0.094 0.000 0.799 811 A CB 0.011 18.976 19.000 -0.059 0.000 1.081 811 A HN 1.029 nan 8.150 nan 0.000 0.509 812 G N 0.355 109.094 108.800 -0.101 0.000 2.477 812 G HA2 0.503 4.462 3.960 -0.001 0.000 0.304 812 G HA3 0.503 4.462 3.960 -0.001 0.000 0.304 812 G C 0.960 175.823 174.900 -0.062 0.000 1.175 812 G CA 0.031 45.083 45.100 -0.080 0.000 0.907 812 G HN 1.207 nan 8.290 nan 0.000 0.509 813 A N 0.133 122.924 122.820 -0.048 0.000 2.066 813 A HA 0.014 4.334 4.320 -0.001 0.000 0.218 813 A C 1.741 179.304 177.584 -0.036 0.000 1.157 813 A CA 1.786 53.801 52.037 -0.037 0.000 0.670 813 A CB -0.203 18.779 19.000 -0.029 0.000 0.804 813 A HN 0.629 nan 8.150 nan 0.000 0.453 814 D N -1.439 118.935 120.400 -0.044 0.000 2.338 814 D HA 0.230 4.869 4.640 -0.001 0.000 0.239 814 D C 1.135 177.407 176.300 -0.047 0.000 1.095 814 D CA 0.737 54.712 54.000 -0.042 0.000 0.888 814 D CB -0.839 39.934 40.800 -0.044 0.000 0.899 814 D HN 0.670 nan 8.370 nan 0.000 0.525 815 G N 0.161 108.930 108.800 -0.051 0.000 2.184 815 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.264 815 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.264 815 G C 0.444 175.296 174.900 -0.080 0.000 0.975 815 G CA 0.754 45.823 45.100 -0.052 0.000 0.642 815 G HN 0.855 nan 8.290 nan 0.000 0.536 816 T N -1.642 112.844 114.554 -0.113 0.000 2.902 816 T HA 0.683 5.032 4.350 -0.001 0.000 0.283 816 T C -0.069 174.469 174.700 -0.270 0.000 1.009 816 T CA 0.261 62.248 62.100 -0.188 0.000 1.051 816 T CB 2.365 71.126 68.868 -0.178 0.000 0.999 816 T HN 0.262 nan 8.240 nan 0.000 0.474 817 T N 2.690 116.947 114.554 -0.495 0.000 2.829 817 T HA 0.530 4.880 4.350 -0.001 0.000 0.282 817 T C -0.245 174.040 174.700 -0.692 0.000 0.990 817 T CA -0.484 61.260 62.100 -0.593 0.000 1.028 817 T CB 1.236 69.694 68.868 -0.684 0.000 0.951 817 T HN 0.770 nan 8.240 nan 0.000 0.460 818 T N 3.323 117.645 114.554 -0.386 0.000 2.772 818 T HA 0.397 4.747 4.350 -0.001 0.000 0.288 818 T C 0.041 174.632 174.700 -0.181 0.000 0.994 818 T CA -0.513 61.415 62.100 -0.287 0.000 0.951 818 T CB 0.847 69.606 68.868 -0.181 0.000 0.933 818 T HN 0.480 nan 8.240 nan 0.000 0.447 819 T N 3.815 118.296 114.554 -0.122 0.000 2.744 819 T HA 0.401 4.750 4.350 -0.001 0.000 0.291 819 T C 0.285 174.951 174.700 -0.056 0.000 0.957 819 T CA -0.402 61.680 62.100 -0.030 0.000 1.002 819 T CB 0.700 69.611 68.868 0.073 0.000 0.919 819 T HN 0.452 nan 8.240 nan 0.000 0.468 820 T N 3.103 117.653 114.554 -0.006 0.000 2.795 820 T HA 0.529 4.879 4.350 -0.001 0.000 0.282 820 T C -0.537 174.209 174.700 0.075 0.000 0.980 820 T CA -0.533 61.586 62.100 0.031 0.000 1.012 820 T CB 1.372 70.249 68.868 0.016 0.000 0.936 820 T HN 0.431 nan 8.240 nan 0.000 0.457 821 V N 4.170 124.163 119.914 0.132 0.000 2.531 821 V HA 0.602 4.721 4.120 -0.001 0.000 0.301 821 V C -0.535 175.615 176.094 0.093 0.000 1.034 821 V CA -0.349 62.029 62.300 0.130 0.000 0.865 821 V CB 1.901 33.846 31.823 0.203 0.000 0.995 821 V HN 0.959 nan 8.190 nan 0.000 0.424 822 T N 8.646 123.234 114.554 0.056 0.000 2.749 822 T HA 0.616 4.966 4.350 -0.001 0.000 0.287 822 T C -0.412 174.302 174.700 0.023 0.000 0.970 822 T CA -0.170 61.952 62.100 0.037 0.000 0.980 822 T CB 0.814 69.699 68.868 0.029 0.000 0.924 822 T HN 0.558 nan 8.240 nan 0.000 0.456 823 L N 3.309 124.539 121.223 0.012 0.000 2.329 823 L HA 0.663 5.003 4.340 -0.001 0.000 0.279 823 L C 0.023 176.893 176.870 -0.001 0.000 1.014 823 L CA -0.857 53.979 54.840 -0.006 0.000 0.814 823 L CB 1.778 43.818 42.059 -0.032 0.000 1.257 823 L HN 0.441 nan 8.230 nan 0.000 0.424 824 K N 2.075 122.473 120.400 -0.003 0.000 2.422 824 K HA 0.301 4.621 4.320 -0.001 0.000 0.251 824 K C -1.075 175.523 176.600 -0.004 0.000 0.933 824 K CA -0.797 55.492 56.287 0.004 0.000 0.798 824 K CB 1.898 34.404 32.500 0.010 0.000 1.238 824 K HN 0.491 nan 8.250 nan 0.000 0.428 825 N N 2.361 121.062 118.700 0.002 0.000 2.405 825 N HA 0.002 4.741 4.740 -0.001 0.000 0.260 825 N C -0.003 175.505 175.510 -0.003 0.000 1.152 825 N CA 0.217 53.261 53.050 -0.010 0.000 0.948 825 N CB 1.031 39.510 38.487 -0.013 0.000 1.111 825 N HN 0.695 nan 8.380 nan 0.000 0.485 826 T N -0.745 113.803 114.554 -0.011 0.000 3.092 826 T HA 0.105 4.454 4.350 -0.001 0.000 0.258 826 T C 0.784 175.479 174.700 -0.008 0.000 1.031 826 T CA -0.470 61.627 62.100 -0.006 0.000 0.925 826 T CB -0.425 68.439 68.868 -0.007 0.000 1.036 826 T HN 0.394 nan 8.240 nan 0.000 0.544 827 S N 0.314 116.005 115.700 -0.015 0.000 2.584 827 S HA 0.481 4.950 4.470 -0.001 0.000 0.270 827 S C 1.408 176.004 174.600 -0.006 0.000 1.346 827 S CA -0.103 58.087 58.200 -0.017 0.000 1.018 827 S CB 0.973 64.154 63.200 -0.031 0.000 0.899 827 S HN 0.386 nan 8.310 nan 0.000 0.542 828 G N 0.343 109.140 108.800 -0.005 0.000 3.088 828 G HA2 0.493 4.452 3.960 -0.001 0.000 0.217 828 G HA3 0.493 4.452 3.960 -0.001 0.000 0.217 828 G C 0.504 175.409 174.900 0.007 0.000 1.159 828 G CA 0.020 45.122 45.100 0.003 0.000 0.760 828 G HN 0.991 nan 8.290 nan 0.000 0.550 829 G N -0.349 108.452 108.800 0.002 0.000 2.890 829 G HA2 0.426 4.385 3.960 -0.001 0.000 0.189 829 G HA3 0.426 4.385 3.960 -0.001 0.000 0.189 829 G C 0.495 175.403 174.900 0.014 0.000 1.342 829 G CA -0.681 44.423 45.100 0.007 0.000 1.026 829 G HN 0.119 nan 8.290 nan 0.000 0.579 830 R N -1.105 119.405 120.500 0.016 0.000 2.397 830 R HA 0.296 4.635 4.340 -0.001 0.000 0.241 830 R C 0.069 176.348 176.300 -0.035 0.000 0.914 830 R CA -0.189 55.934 56.100 0.039 0.000 1.071 830 R CB 0.031 30.379 30.300 0.080 0.000 1.116 830 R HN 0.202 nan 8.270 nan 0.000 0.524 831 L N 3.363 124.532 121.223 -0.091 0.000 2.305 831 L HA 0.298 4.637 4.340 -0.001 0.000 0.281 831 L C -2.022 174.634 176.870 -0.356 0.000 1.085 831 L CA -2.077 52.648 54.840 -0.191 0.000 0.813 831 L CB 0.697 42.685 42.059 -0.119 0.000 1.157 831 L HN -0.201 nan 8.230 nan 0.000 0.436 832 P HA 0.078 nan 4.420 nan 0.000 0.272 832 P C -0.890 176.158 177.300 -0.420 0.000 1.223 832 P CA -0.502 62.049 63.100 -0.914 0.000 0.784 832 P CB 0.902 31.540 31.700 -1.770 0.000 0.923 833 A N 3.357 126.003 122.820 -0.289 0.000 2.376 833 A HA 0.349 4.668 4.320 -0.001 0.000 0.298 833 A C -0.594 176.944 177.584 -0.077 0.000 1.271 833 A CA -0.306 51.654 52.037 -0.127 0.000 0.926 833 A CB -1.142 17.801 19.000 -0.095 0.000 1.141 833 A HN 0.496 nan 8.150 nan 0.000 0.539 834 F N 3.215 123.065 119.950 -0.166 0.000 2.415 834 F HA 0.478 5.005 4.527 -0.001 0.000 0.348 834 F C -0.112 175.683 175.800 -0.008 0.000 1.119 834 F CA -0.973 56.943 58.000 -0.139 0.000 1.069 834 F CB 0.478 39.364 39.000 -0.189 0.000 1.124 834 F HN 0.654 nan 8.300 nan 0.000 0.472 835 Y N 4.129 123.899 120.300 -0.882 0.000 2.994 835 Y HA -0.146 4.403 4.550 -0.001 0.000 0.168 835 Y C -1.413 174.212 175.900 -0.458 0.000 1.648 835 Y CA 0.289 57.852 58.100 -0.895 0.000 0.924 835 Y CB -1.109 36.479 38.460 -1.453 0.000 1.415 835 Y HN 0.413 nan 8.280 nan 0.000 0.391 836 V N 3.976 123.590 119.914 -0.499 0.000 2.350 836 V HA 0.307 4.426 4.120 -0.001 0.000 0.276 836 V C 0.047 175.845 176.094 -0.493 0.000 1.028 836 V CA -0.461 61.619 62.300 -0.366 0.000 0.860 836 V CB 1.638 33.311 31.823 -0.250 0.000 0.990 836 V HN 0.463 nan 8.190 nan 0.000 0.453 837 D N 3.299 123.453 120.400 -0.409 0.000 2.344 837 D HA 0.445 5.084 4.640 -0.001 0.000 0.239 837 D C -0.522 175.572 176.300 -0.343 0.000 1.064 837 D CA -0.067 53.670 54.000 -0.440 0.000 0.829 837 D CB 1.895 42.538 40.800 -0.262 0.000 1.129 837 D HN 0.464 nan 8.370 nan 0.000 0.506 838 S N 3.365 118.765 115.700 -0.500 0.000 2.454 838 S HA 0.520 4.989 4.470 -0.001 0.000 0.306 838 S C -0.410 174.012 174.600 -0.296 0.000 1.100 838 S CA -0.847 57.113 58.200 -0.400 0.000 1.087 838 S CB 1.362 64.224 63.200 -0.563 0.000 1.019 838 S HN 0.271 nan 8.310 nan 0.000 0.480 839 K N 2.065 122.480 120.400 0.025 0.000 2.507 839 K HA 0.360 4.680 4.320 -0.001 0.000 0.252 839 K C -1.072 175.663 176.600 0.224 0.000 0.943 839 K CA -0.713 55.688 56.287 0.190 0.000 0.808 839 K CB 2.082 34.627 32.500 0.076 0.000 1.142 839 K HN 0.361 nan 8.250 nan 0.000 0.426 840 V N 3.772 123.849 119.914 0.272 0.000 2.493 840 V HA 0.028 4.147 4.120 -0.001 0.000 0.292 840 V C 0.507 176.558 176.094 -0.071 0.000 1.016 840 V CA -0.167 62.135 62.300 0.003 0.000 1.097 840 V CB 0.233 31.878 31.823 -0.298 0.000 0.947 840 V HN 0.559 nan 8.190 nan 0.000 0.479 841 V N 1.714 121.590 119.914 -0.064 0.000 3.074 841 V HA 0.823 4.943 4.120 -0.001 0.000 0.314 841 V C -0.387 175.665 176.094 -0.071 0.000 1.117 841 V CA -1.075 61.187 62.300 -0.064 0.000 1.014 841 V CB 2.138 33.943 31.823 -0.030 0.000 1.057 841 V HN 0.756 nan 8.190 nan 0.000 0.438 842 D N 0.963 121.325 120.400 -0.063 0.000 2.478 842 D HA 0.268 4.908 4.640 -0.001 0.000 0.274 842 D C 1.470 177.752 176.300 -0.031 0.000 1.234 842 D CA 0.248 54.220 54.000 -0.046 0.000 1.069 842 D CB 0.471 41.244 40.800 -0.045 0.000 1.113 842 D HN 0.809 nan 8.370 nan 0.000 0.571 843 S N -1.468 114.218 115.700 -0.023 0.000 2.423 843 S HA -0.075 4.395 4.470 -0.001 0.000 0.231 843 S C 1.801 176.388 174.600 -0.022 0.000 1.014 843 S CA 0.630 58.819 58.200 -0.018 0.000 0.965 843 S CB -0.804 62.388 63.200 -0.014 0.000 0.785 843 S HN 0.654 nan 8.310 nan 0.000 0.495 844 A N 0.620 123.424 122.820 -0.027 0.000 2.251 844 A HA 0.574 4.893 4.320 -0.001 0.000 0.209 844 A C 1.718 179.283 177.584 -0.032 0.000 1.187 844 A CA 0.461 52.480 52.037 -0.029 0.000 0.823 844 A CB -1.178 17.802 19.000 -0.033 0.000 0.846 844 A HN 1.520 nan 8.150 nan 0.000 0.486 845 G N -0.342 108.439 108.800 -0.032 0.000 2.148 845 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.254 845 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.254 845 G C 0.202 175.080 174.900 -0.037 0.000 0.981 845 G CA 0.653 45.734 45.100 -0.031 0.000 0.670 845 G HN 0.841 nan 8.290 nan 0.000 0.528 846 K N 1.025 121.398 120.400 -0.045 0.000 2.234 846 K HA 0.557 4.877 4.320 -0.001 0.000 0.282 846 K C -2.335 174.230 176.600 -0.057 0.000 1.039 846 K CA -2.061 54.194 56.287 -0.055 0.000 0.928 846 K CB 1.077 33.538 32.500 -0.066 0.000 1.039 846 K HN -0.001 nan 8.250 nan 0.000 0.470 847 P HA -0.057 nan 4.420 nan 0.000 0.268 847 P C -1.080 176.176 177.300 -0.074 0.000 1.204 847 P CA -0.319 62.753 63.100 -0.047 0.000 0.768 847 P CB 0.690 32.381 31.700 -0.016 0.000 0.842 848 V N 5.655 125.494 119.914 -0.125 0.000 2.455 848 V HA 0.260 4.379 4.120 -0.001 0.000 0.273 848 V C 0.454 176.465 176.094 -0.138 0.000 1.045 848 V CA 0.243 62.434 62.300 -0.183 0.000 0.976 848 V CB -0.240 31.343 31.823 -0.401 0.000 0.993 848 V HN 0.373 nan 8.190 nan 0.000 0.475 849 L N 6.778 127.964 121.223 -0.062 0.000 2.434 849 L HA 0.565 4.904 4.340 -0.001 0.000 0.260 849 L C -2.370 174.502 176.870 0.004 0.000 0.983 849 L CA -1.734 53.107 54.840 0.002 0.000 0.820 849 L CB 3.050 45.130 42.059 0.034 0.000 1.361 849 L HN 0.423 nan 8.230 nan 0.000 0.410 850 P HA 0.217 nan 4.420 nan 0.000 0.272 850 P C -1.127 176.254 177.300 0.136 0.000 1.240 850 P CA -0.235 62.900 63.100 0.058 0.000 0.791 850 P CB 2.120 33.751 31.700 -0.116 0.000 0.978 851 V N 0.175 120.225 119.914 0.227 0.000 3.049 851 V HA 0.389 4.508 4.120 -0.001 0.000 0.309 851 V C -1.308 174.834 176.094 0.080 0.000 1.148 851 V CA -0.640 61.722 62.300 0.104 0.000 0.990 851 V CB 2.387 34.206 31.823 -0.007 0.000 1.039 851 V HN 0.575 nan 8.190 nan 0.000 0.430 852 E N 4.337 124.526 120.200 -0.020 0.000 2.244 852 E HA 0.344 4.694 4.350 -0.001 0.000 0.260 852 E C -1.914 174.635 176.600 -0.087 0.000 0.884 852 E CA -0.309 56.085 56.400 -0.009 0.000 0.777 852 E CB 1.901 31.621 29.700 0.033 0.000 1.197 852 E HN 0.625 nan 8.360 nan 0.000 0.416 853 W N 2.975 124.293 121.300 0.029 0.000 2.512 853 W HA 0.180 4.840 4.660 -0.001 0.000 0.335 853 W C 1.711 178.243 176.519 0.022 0.000 1.088 853 W CA -0.534 56.829 57.345 0.030 0.000 1.236 853 W CB 0.719 30.194 29.460 0.026 0.000 1.307 853 W HN 0.515 nan 8.180 nan 0.000 0.567 854 N N 0.667 119.520 118.700 0.254 0.000 2.188 854 N HA -0.103 4.637 4.740 -0.001 0.000 0.184 854 N C 0.015 175.610 175.510 0.141 0.000 1.018 854 N CA 1.855 54.996 53.050 0.151 0.000 0.858 854 N CB -0.429 38.122 38.487 0.107 0.000 0.989 854 N HN 0.542 nan 8.380 nan 0.000 0.426 855 D N -1.274 119.226 120.400 0.168 0.000 2.615 855 D HA 0.598 5.237 4.640 -0.001 0.000 0.267 855 D C -1.292 174.960 176.300 -0.080 0.000 1.236 855 D CA -0.617 53.412 54.000 0.049 0.000 0.839 855 D CB 1.756 42.566 40.800 0.016 0.000 1.380 855 D HN 0.222 nan 8.370 nan 0.000 0.433 856 N N -1.750 116.769 118.700 -0.301 0.000 3.356 856 N HA 0.600 5.340 4.740 -0.001 0.000 0.246 856 N C -0.757 174.304 175.510 -0.748 0.000 1.480 856 N CA 0.708 53.346 53.050 -0.687 0.000 0.877 856 N CB 1.480 39.316 38.487 -1.086 0.000 1.431 856 N HN 1.913 nan 8.380 nan 0.000 0.500 857 A N -0.052 122.170 122.820 -0.997 0.000 2.466 857 A HA -0.111 4.208 4.320 -0.001 0.000 0.295 857 A C 0.312 177.498 177.584 -0.664 0.000 1.465 857 A CA 1.099 52.514 52.037 -1.036 0.000 0.744 857 A CB -2.402 15.894 19.000 -1.174 0.000 1.098 857 A HN 1.155 nan 8.150 nan 0.000 0.402 858 V N -1.931 117.697 119.914 -0.477 0.000 2.837 858 V HA 0.931 5.051 4.120 -0.001 0.000 0.310 858 V C 0.402 176.391 176.094 -0.175 0.000 1.059 858 V CA -0.151 62.007 62.300 -0.237 0.000 1.004 858 V CB 2.106 33.829 31.823 -0.166 0.000 1.045 858 V HN 1.039 nan 8.190 nan 0.000 0.465 859 S N 3.609 119.310 115.700 0.002 0.000 2.561 859 S HA 0.761 5.231 4.470 -0.001 0.000 0.303 859 S C -0.712 174.005 174.600 0.196 0.000 1.110 859 S CA -0.501 57.752 58.200 0.089 0.000 1.034 859 S CB 1.081 64.447 63.200 0.276 0.000 1.010 859 S HN 0.714 nan 8.310 nan 0.000 0.482 860 L N 2.524 123.801 121.223 0.090 0.000 2.356 860 L HA 0.529 4.868 4.340 -0.001 0.000 0.277 860 L C -0.378 176.557 176.870 0.108 0.000 0.996 860 L CA -0.591 54.346 54.840 0.162 0.000 0.822 860 L CB 1.210 43.305 42.059 0.060 0.000 1.256 860 L HN 0.546 nan 8.230 nan 0.000 0.413 861 W N 2.575 123.853 121.300 -0.037 0.000 2.141 861 W HA 0.263 4.923 4.660 -0.001 0.000 0.354 861 W C -2.062 174.438 176.519 -0.031 0.000 1.297 861 W CA -1.496 55.810 57.345 -0.065 0.000 1.380 861 W CB 1.133 30.533 29.460 -0.100 0.000 1.168 861 W HN 0.139 nan 8.180 nan 0.000 0.639 862 P HA 0.034 nan 4.420 nan 0.000 0.264 862 P C 0.504 177.854 177.300 0.084 0.000 1.193 862 P CA 1.826 64.963 63.100 0.061 0.000 0.763 862 P CB 0.224 31.953 31.700 0.048 0.000 0.810 863 G N 1.965 110.798 108.800 0.055 0.000 2.253 863 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.251 863 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.251 863 G C 0.139 175.073 174.900 0.057 0.000 0.998 863 G CA -0.277 44.854 45.100 0.051 0.000 0.621 863 G HN 0.548 nan 8.290 nan 0.000 0.524 864 E N 1.077 121.325 120.200 0.080 0.000 2.373 864 E HA 0.469 4.819 4.350 -0.001 0.000 0.267 864 E C -0.184 176.450 176.600 0.057 0.000 1.032 864 E CA 0.538 56.987 56.400 0.082 0.000 0.889 864 E CB 0.689 30.466 29.700 0.129 0.000 0.984 864 E HN 0.192 nan 8.360 nan 0.000 0.425 865 T N 1.499 116.081 114.554 0.048 0.000 2.863 865 T HA 0.395 4.744 4.350 -0.001 0.000 0.285 865 T C -0.465 174.255 174.700 0.034 0.000 1.009 865 T CA -0.540 61.580 62.100 0.034 0.000 0.989 865 T CB 1.902 70.787 68.868 0.028 0.000 1.004 865 T HN 0.303 nan 8.240 nan 0.000 0.455 866 T N 1.346 115.915 114.554 0.025 0.000 2.903 866 T HA 0.619 4.968 4.350 -0.001 0.000 0.299 866 T C -1.071 173.646 174.700 0.029 0.000 1.093 866 T CA -0.420 61.695 62.100 0.025 0.000 1.002 866 T CB 1.429 70.308 68.868 0.017 0.000 1.127 866 T HN 0.541 nan 8.240 nan 0.000 0.488 867 T N 4.484 119.061 114.554 0.039 0.000 2.770 867 T HA 0.633 4.982 4.350 -0.001 0.000 0.283 867 T C -0.588 174.160 174.700 0.081 0.000 0.988 867 T CA -0.505 61.627 62.100 0.054 0.000 0.957 867 T CB 0.430 69.324 68.868 0.044 0.000 0.930 867 T HN 0.383 nan 8.240 nan 0.000 0.443 868 L N 2.300 123.601 121.223 0.130 0.000 2.333 868 L HA 0.701 5.040 4.340 -0.001 0.000 0.269 868 L C 0.138 177.162 176.870 0.257 0.000 1.010 868 L CA -0.902 54.078 54.840 0.233 0.000 0.818 868 L CB 2.125 44.365 42.059 0.301 0.000 1.306 868 L HN 0.512 nan 8.230 nan 0.000 0.430 869 T N 1.503 116.195 114.554 0.230 0.000 2.840 869 T HA 0.637 4.986 4.350 -0.001 0.000 0.287 869 T C -0.569 174.023 174.700 -0.180 0.000 0.991 869 T CA -0.449 61.663 62.100 0.020 0.000 0.964 869 T CB 1.663 70.535 68.868 0.007 0.000 0.954 869 T HN 0.654 nan 8.240 nan 0.000 0.438 870 A N 3.920 126.397 122.820 -0.572 0.000 2.330 870 A HA 0.798 5.117 4.320 -0.001 0.000 0.327 870 A C -0.269 177.097 177.584 -0.362 0.000 1.155 870 A CA -0.737 50.766 52.037 -0.889 0.000 0.803 870 A CB 0.914 18.879 19.000 -1.725 0.000 1.208 870 A HN 0.697 nan 8.150 nan 0.000 0.477 871 K N 0.913 121.169 120.400 -0.241 0.000 2.316 871 K HA 0.685 5.005 4.320 -0.001 0.000 0.251 871 K C -1.646 174.941 176.600 -0.022 0.000 0.934 871 K CA -0.460 55.709 56.287 -0.197 0.000 0.802 871 K CB 2.120 34.529 32.500 -0.151 0.000 1.171 871 K HN 0.801 nan 8.250 nan 0.000 0.426 872 Y N -2.100 118.124 120.300 -0.128 0.000 2.713 872 Y HA 0.394 4.944 4.550 -0.001 0.000 0.335 872 Y C -1.015 174.845 175.900 -0.067 0.000 1.222 872 Y CA -1.518 56.530 58.100 -0.088 0.000 1.061 872 Y CB 0.610 39.013 38.460 -0.096 0.000 1.314 872 Y HN 0.291 nan 8.280 nan 0.000 0.453 873 R N 1.096 121.657 120.500 0.102 0.000 2.421 873 R HA 0.165 4.504 4.340 -0.001 0.000 0.305 873 R C 0.537 176.895 176.300 0.096 0.000 1.039 873 R CA 0.659 56.780 56.100 0.035 0.000 1.003 873 R CB 0.762 31.084 30.300 0.037 0.000 0.959 873 R HN 0.942 nan 8.270 nan 0.000 0.427 874 T N 2.495 117.037 114.554 -0.021 0.000 2.680 874 T HA -0.306 4.044 4.350 -0.001 0.000 0.268 874 T C 1.840 176.580 174.700 0.067 0.000 1.033 874 T CA 2.056 64.168 62.100 0.019 0.000 1.152 874 T CB -0.067 68.779 68.868 -0.037 0.000 0.859 874 T HN 0.773 nan 8.240 nan 0.000 0.452 875 A N 1.348 124.193 122.820 0.041 0.000 2.067 875 A HA -0.087 4.233 4.320 -0.001 0.000 0.219 875 A C 1.896 179.504 177.584 0.039 0.000 1.158 875 A CA 1.265 53.321 52.037 0.032 0.000 0.661 875 A CB -0.315 18.694 19.000 0.016 0.000 0.801 875 A HN 0.343 nan 8.150 nan 0.000 0.452 876 D N -0.552 119.887 120.400 0.065 0.000 2.349 876 D HA 0.004 4.643 4.640 -0.001 0.000 0.224 876 D C 1.287 177.602 176.300 0.025 0.000 1.029 876 D CA 0.192 54.218 54.000 0.043 0.000 0.879 876 D CB 0.158 40.988 40.800 0.051 0.000 0.906 876 D HN 0.229 nan 8.370 nan 0.000 0.528 877 L N 0.840 122.098 121.223 0.058 0.000 2.291 877 L HA -0.012 4.327 4.340 -0.001 0.000 0.214 877 L C 0.861 177.737 176.870 0.010 0.000 1.120 877 L CA 0.918 55.777 54.840 0.031 0.000 0.799 877 L CB -0.541 41.568 42.059 0.082 0.000 0.925 877 L HN 0.013 nan 8.230 nan 0.000 0.446 878 K N -0.221 120.187 120.400 0.013 0.000 3.035 878 K HA -0.258 4.061 4.320 -0.001 0.000 0.262 878 K C 1.044 177.645 176.600 0.003 0.000 1.024 878 K CA 0.343 56.633 56.287 0.004 0.000 0.748 878 K CB -2.175 30.321 32.500 -0.007 0.000 1.247 878 K HN 0.516 nan 8.250 nan 0.000 0.482 879 G N -0.650 108.156 108.800 0.010 0.000 2.176 879 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.253 879 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.253 879 G C 0.078 174.982 174.900 0.006 0.000 0.979 879 G CA 0.360 45.465 45.100 0.007 0.000 0.641 879 G HN 0.617 nan 8.290 nan 0.000 0.530 880 S N 0.241 115.945 115.700 0.006 0.000 2.601 880 S HA 0.593 5.062 4.470 -0.001 0.000 0.271 880 S C 0.759 175.367 174.600 0.013 0.000 1.305 880 S CA -0.168 58.034 58.200 0.003 0.000 1.022 880 S CB 0.550 63.745 63.200 -0.008 0.000 0.940 880 S HN 0.415 nan 8.310 nan 0.000 0.525 881 K N 3.244 123.650 120.400 0.010 0.000 2.237 881 K HA 0.334 4.654 4.320 -0.001 0.000 0.270 881 K C -2.444 174.168 176.600 0.019 0.000 1.015 881 K CA -1.596 54.702 56.287 0.018 0.000 0.949 881 K CB 0.028 32.535 32.500 0.012 0.000 0.976 881 K HN 0.491 nan 8.250 nan 0.000 0.472 882 P HA 0.141 nan 4.420 nan 0.000 0.279 882 P C -0.836 176.476 177.300 0.021 0.000 1.239 882 P CA -0.347 62.772 63.100 0.031 0.000 0.789 882 P CB 1.336 33.096 31.700 0.100 0.000 0.933 883 S N 0.464 116.167 115.700 0.004 0.000 2.709 883 S HA 0.652 5.121 4.470 -0.001 0.000 0.302 883 S C -0.779 173.837 174.600 0.027 0.000 1.127 883 S CA -0.647 57.561 58.200 0.014 0.000 0.905 883 S CB 1.454 64.656 63.200 0.004 0.000 1.151 883 S HN 0.208 nan 8.310 nan 0.000 0.510 884 V N 1.859 121.799 119.914 0.043 0.000 2.482 884 V HA 0.472 4.592 4.120 -0.001 0.000 0.295 884 V C -0.272 175.846 176.094 0.040 0.000 1.026 884 V CA -0.665 61.681 62.300 0.077 0.000 0.856 884 V CB 1.428 33.326 31.823 0.126 0.000 1.001 884 V HN 0.731 nan 8.190 nan 0.000 0.424 885 R N 4.824 125.342 120.500 0.029 0.000 2.221 885 R HA 0.661 5.001 4.340 -0.001 0.000 0.327 885 R C -1.179 175.105 176.300 -0.026 0.000 1.033 885 R CA -0.361 55.737 56.100 -0.003 0.000 0.887 885 R CB 0.681 30.976 30.300 -0.008 0.000 1.057 885 R HN 0.700 nan 8.270 nan 0.000 0.455 886 I N 3.290 123.834 120.570 -0.043 0.000 2.382 886 I HA 0.243 4.413 4.170 -0.001 0.000 0.286 886 I C -0.642 175.428 176.117 -0.078 0.000 1.002 886 I CA -0.315 60.939 61.300 -0.077 0.000 1.135 886 I CB 2.128 40.087 38.000 -0.069 0.000 1.288 886 I HN 0.542 nan 8.210 nan 0.000 0.448 887 S N 3.583 119.226 115.700 -0.095 0.000 2.521 887 S HA 0.849 5.318 4.470 -0.001 0.000 0.295 887 S C -0.097 174.447 174.600 -0.093 0.000 1.098 887 S CA -0.789 57.362 58.200 -0.082 0.000 0.999 887 S CB 2.084 65.246 63.200 -0.064 0.000 1.034 887 S HN 0.785 nan 8.310 nan 0.000 0.483 888 G N 0.474 109.232 108.800 -0.071 0.000 2.574 888 G HA2 0.456 4.415 3.960 -0.001 0.000 0.299 888 G HA3 0.456 4.415 3.960 -0.001 0.000 0.299 888 G C 0.191 175.104 174.900 0.023 0.000 1.298 888 G CA -0.862 44.212 45.100 -0.043 0.000 0.952 888 G HN 0.738 nan 8.290 nan 0.000 0.477 889 W N 1.700 122.936 121.300 -0.107 0.000 2.302 889 W HA -0.171 4.489 4.660 -0.001 0.000 0.320 889 W C 1.040 177.542 176.519 -0.029 0.000 1.241 889 W CA 2.140 59.443 57.345 -0.071 0.000 1.264 889 W CB 0.189 29.617 29.460 -0.053 0.000 1.154 889 W HN 0.640 nan 8.180 nan 0.000 0.483 890 N N -0.431 118.392 118.700 0.205 0.000 2.275 890 N HA -0.020 4.719 4.740 -0.001 0.000 0.236 890 N C 0.456 175.968 175.510 0.003 0.000 1.154 890 N CA 0.963 54.056 53.050 0.073 0.000 0.866 890 N CB -0.550 38.041 38.487 0.173 0.000 1.093 890 N HN 0.098 nan 8.380 nan 0.000 0.515 891 T N -4.428 110.113 114.554 -0.022 0.000 3.091 891 T HA 0.464 4.813 4.350 -0.001 0.000 0.277 891 T C 0.884 175.549 174.700 -0.059 0.000 0.996 891 T CA 0.235 62.310 62.100 -0.042 0.000 0.897 891 T CB 0.156 68.998 68.868 -0.044 0.000 1.109 891 T HN 0.394 nan 8.240 nan 0.000 0.534 892 G N 1.210 109.963 108.800 -0.077 0.000 2.697 892 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.240 892 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.240 892 G C -0.483 174.372 174.900 -0.075 0.000 1.346 892 G CA -0.261 44.789 45.100 -0.083 0.000 0.887 892 G HN 0.747 nan 8.290 nan 0.000 0.569 893 T N 1.360 115.873 114.554 -0.068 0.000 2.841 893 T HA 0.640 4.990 4.350 -0.001 0.000 0.285 893 T C 0.065 174.735 174.700 -0.048 0.000 0.991 893 T CA 0.181 62.245 62.100 -0.060 0.000 0.966 893 T CB 1.572 70.403 68.868 -0.060 0.000 0.962 893 T HN 0.940 nan 8.240 nan 0.000 0.438 894 Q N 0.782 120.556 119.800 -0.043 0.000 2.456 894 Q HA 0.774 5.113 4.340 -0.001 0.000 0.283 894 Q C -1.224 174.760 176.000 -0.026 0.000 1.084 894 Q CA -0.999 54.784 55.803 -0.033 0.000 0.801 894 Q CB 2.312 31.031 28.738 -0.031 0.000 1.434 894 Q HN 0.550 nan 8.270 nan 0.000 0.419 895 T N -0.216 114.327 114.554 -0.019 0.000 2.861 895 T HA 0.623 4.973 4.350 -0.001 0.000 0.287 895 T C -0.694 174.004 174.700 -0.005 0.000 1.003 895 T CA -0.345 61.749 62.100 -0.010 0.000 0.977 895 T CB 1.421 70.282 68.868 -0.010 0.000 0.996 895 T HN 0.827 nan 8.240 nan 0.000 0.448 896 V N 2.526 122.443 119.914 0.005 0.000 2.628 896 V HA 0.847 4.967 4.120 -0.001 0.000 0.306 896 V C -2.703 173.400 176.094 0.015 0.000 1.045 896 V CA -2.822 59.483 62.300 0.009 0.000 0.905 896 V CB 1.402 33.233 31.823 0.012 0.000 0.997 896 V HN 0.812 nan 8.190 nan 0.000 0.436 897 P HA 0.258 nan 4.420 nan 0.000 0.268 897 P C 0.096 177.410 177.300 0.022 0.000 1.205 897 P CA 0.173 63.281 63.100 0.013 0.000 0.771 897 P CB 1.607 33.312 31.700 0.009 0.000 0.858 898 A N 0.296 123.132 122.820 0.027 0.000 2.545 898 A HA 0.559 4.878 4.320 -0.001 0.000 0.263 898 A C 0.545 178.147 177.584 0.030 0.000 1.202 898 A CA 0.913 52.971 52.037 0.035 0.000 0.959 898 A CB -0.252 18.779 19.000 0.052 0.000 1.124 898 A HN 0.707 nan 8.150 nan 0.000 0.543 899 D N 0.000 120.414 120.400 0.023 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