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 2ac1_1_A DATA FIRST_RESID 5 DATA SEQUENCE NQPYRTGFHF QPPKNWMNDP NGPMIYKGIY HLFYQWNPKG AVWGNIVWAH DATA SEQUENCE STSTDLINWD PHPPAIFPSA PFDINGCWSG SATILPNGKP VILYTGIDPK DATA SEQUENCE NQQVQNIAEP KNLSDPYLRE WKKSPLNPLM APDAVNGINA SSFRDPTTAW DATA SEQUENCE LGQDKKWRVI IGSKIHRRGL AITYTSKDFL KWEKSPEPLH YDDGSGMWEC DATA SEQUENCE PDFFPVTRFG SNGVETSSFG EPNEILKHVL KISLDDTKHD YYTIGTYDRV DATA SEQUENCE KDKFVPDNGF KMDGTAPRYD YGKYYASKTF FDSAKNRRIL WGWTNESSSV DATA SEQUENCE EDDVEKGWSG IQTIPRKIWL DRSGKQLIQW PVREVERLRT KQVKNLRNKV DATA SEQUENCE LKSGSRLEVY GVTAAQADVE VLFKVRDLEK ADVIEPSWTD PQLIcSKMNV DATA SEQUENCE SVKSGLGPFG LMVLASKNLE EYTSVYFRIF KARQNSNKYV VLMcSDQSRS DATA SEQUENCE SLKEDNDKTT YGAFVDINPH QPLSLRALID HSVVESFGGK GRACITSRVY DATA SEQUENCE PKLAIGKSSH LFAFNYGYQS VDVLNLNAWS MNSAQIS 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.506 175.510 -0.006 0.000 1.280 5 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 5 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 6 Q N 0.605 120.394 119.800 -0.017 0.000 2.943 6 Q HA 0.415 4.755 4.340 0.000 0.000 0.327 6 Q C -2.202 173.761 176.000 -0.063 0.000 0.937 6 Q CA -1.304 54.512 55.803 0.021 0.000 0.914 6 Q CB 1.627 30.397 28.738 0.052 0.000 1.339 6 Q HN 0.415 nan 8.270 nan 0.000 0.417 7 P HA -0.122 nan 4.420 nan 0.000 0.221 7 P C 0.368 177.570 177.300 -0.163 0.000 1.145 7 P CA 1.293 64.223 63.100 -0.284 0.000 0.795 7 P CB 0.162 31.532 31.700 -0.550 0.000 0.775 8 Y N -1.480 118.975 120.300 0.259 0.000 2.458 8 Y HA 0.227 4.777 4.550 0.000 0.000 0.256 8 Y C 1.112 177.203 175.900 0.319 0.000 1.159 8 Y CA -0.761 57.542 58.100 0.338 0.000 1.261 8 Y CB -0.582 38.175 38.460 0.494 0.000 1.119 8 Y HN -0.212 nan 8.280 nan 0.000 0.524 9 R N 1.095 121.715 120.500 0.201 0.000 2.543 9 R HA 0.202 4.542 4.340 0.000 0.000 0.277 9 R C 0.681 176.812 176.300 -0.282 0.000 1.074 9 R CA 0.113 56.079 56.100 -0.224 0.000 1.076 9 R CB 0.475 30.552 30.300 -0.373 0.000 0.993 9 R HN 0.178 nan 8.270 nan 0.000 0.459 10 T N -1.071 113.307 114.554 -0.294 0.000 2.904 10 T HA 0.201 4.551 4.350 0.000 0.000 0.290 10 T C 1.230 175.802 174.700 -0.212 0.000 1.018 10 T CA -0.494 61.474 62.100 -0.220 0.000 1.075 10 T CB 1.689 70.439 68.868 -0.196 0.000 0.986 10 T HN 0.643 nan 8.240 nan 0.000 0.523 11 G N 0.334 109.076 108.800 -0.097 0.000 2.662 11 G HA2 0.219 4.179 3.960 0.000 0.000 0.212 11 G HA3 0.219 4.179 3.960 0.000 0.000 0.212 11 G C 0.503 175.516 174.900 0.188 0.000 1.141 11 G CA -0.029 45.096 45.100 0.042 0.000 0.797 11 G HN 0.908 nan 8.290 nan 0.000 0.531 12 F N -1.470 118.551 119.950 0.119 0.000 2.901 12 F HA 0.543 5.070 4.527 0.000 0.000 0.329 12 F C -0.262 175.559 175.800 0.034 0.000 1.185 12 F CA -1.450 56.591 58.000 0.067 0.000 1.114 12 F CB -0.328 38.688 39.000 0.026 0.000 1.199 12 F HN -0.105 nan 8.300 nan 0.000 0.513 13 H N 0.797 119.794 119.070 -0.123 0.000 2.479 13 H HA 0.418 4.974 4.556 0.000 0.000 0.335 13 H C -0.948 174.386 175.328 0.009 0.000 1.142 13 H CA -0.893 55.132 56.048 -0.039 0.000 1.234 13 H CB 1.388 31.056 29.762 -0.157 0.000 1.503 13 H HN 0.186 nan 8.280 nan 0.000 0.510 14 F N 3.201 123.189 119.950 0.063 0.000 2.495 14 F HA 0.226 4.753 4.527 0.000 0.000 0.365 14 F C -0.206 175.476 175.800 -0.196 0.000 1.090 14 F CA 0.114 58.042 58.000 -0.120 0.000 1.235 14 F CB 0.169 39.001 39.000 -0.281 0.000 1.119 14 F HN 0.584 nan 8.300 nan 0.000 0.562 15 Q N 5.394 124.478 119.800 -1.193 0.000 2.617 15 Q HA 0.444 4.784 4.340 0.000 0.000 0.270 15 Q C -3.235 172.174 176.000 -0.986 0.000 0.967 15 Q CA -2.058 53.211 55.803 -0.890 0.000 0.887 15 Q CB 1.507 29.953 28.738 -0.486 0.000 1.516 15 Q HN 0.281 nan 8.270 nan 0.000 0.395 16 P HA 0.200 nan 4.420 nan 0.000 0.273 16 P C -2.078 175.040 177.300 -0.303 0.000 1.250 16 P CA -1.082 61.742 63.100 -0.460 0.000 0.793 16 P CB 0.131 31.696 31.700 -0.225 0.000 1.011 17 P HA -0.098 nan 4.420 nan 0.000 0.222 17 P C -0.163 177.112 177.300 -0.043 0.000 1.147 17 P CA 1.563 64.579 63.100 -0.139 0.000 0.790 17 P CB 0.079 31.730 31.700 -0.080 0.000 0.780 18 K N -4.610 115.856 120.400 0.110 0.000 2.755 18 K HA 0.360 4.680 4.320 0.000 0.000 0.294 18 K C -1.145 175.744 176.600 0.481 0.000 1.060 18 K CA -0.964 55.487 56.287 0.273 0.000 0.845 18 K CB 0.504 33.154 32.500 0.250 0.000 1.539 18 K HN -0.345 nan 8.250 nan 0.000 0.379 19 N N -1.172 117.785 118.700 0.428 0.000 6.535 19 N HA -0.217 4.523 4.740 0.000 0.000 0.409 19 N C -1.399 174.364 175.510 0.422 0.000 0.975 19 N CA 0.750 54.006 53.050 0.344 0.000 1.813 19 N CB -0.517 38.036 38.487 0.109 0.000 0.751 19 N HN 0.707 nan 8.380 nan 0.000 0.467 20 W N 2.075 123.426 121.300 0.085 0.000 2.238 20 W HA 0.525 5.185 4.660 0.000 0.000 0.321 20 W C -0.312 176.344 176.519 0.228 0.000 1.293 20 W CA -0.208 57.217 57.345 0.133 0.000 1.204 20 W CB 0.236 29.707 29.460 0.018 0.000 1.167 20 W HN 0.572 nan 8.180 nan 0.000 0.553 21 M N 8.261 127.580 119.600 -0.469 0.000 2.386 21 M HA 0.234 4.714 4.480 0.000 0.000 0.293 21 M C -0.691 175.065 176.300 -0.907 0.000 1.120 21 M CA -0.440 54.700 55.300 -0.266 0.000 0.909 21 M CB 1.567 34.200 32.600 0.056 0.000 1.661 21 M HN 0.631 nan 8.290 nan 0.000 0.452 22 N N 1.542 119.787 118.700 -0.757 0.000 3.383 22 N HA 0.313 5.053 4.740 0.000 0.000 0.296 22 N C -1.252 173.571 175.510 -1.147 0.000 1.501 22 N CA -0.478 51.548 53.050 -1.706 0.000 0.768 22 N CB -0.384 37.261 38.487 -1.403 0.000 2.751 22 N HN 0.541 nan 8.380 nan 0.000 0.490 23 D N 2.918 122.848 120.400 -0.782 0.000 2.703 23 D HA 0.060 4.700 4.640 0.000 0.000 0.225 23 D C -2.015 174.133 176.300 -0.253 0.000 1.119 23 D CA 0.144 53.967 54.000 -0.295 0.000 0.845 23 D CB -0.164 40.529 40.800 -0.179 0.000 1.182 23 D HN 0.303 nan 8.370 nan 0.000 0.493 24 P HA 0.174 nan 4.420 nan 0.000 0.279 24 P C -0.839 176.263 177.300 -0.331 0.000 1.239 24 P CA -0.429 62.502 63.100 -0.282 0.000 0.789 24 P CB 0.989 32.547 31.700 -0.237 0.000 0.933 25 N N 0.006 118.430 118.700 -0.459 0.000 2.240 25 N HA 0.436 5.176 4.740 0.000 0.000 0.302 25 N C 0.155 175.488 175.510 -0.295 0.000 1.106 25 N CA -0.837 51.829 53.050 -0.641 0.000 0.778 25 N CB 1.292 38.752 38.487 -1.711 0.000 1.431 25 N HN 0.551 nan 8.380 nan 0.000 0.479 26 G N 1.471 110.216 108.800 -0.091 0.000 2.441 26 G HA2 -0.208 3.753 3.960 0.000 0.000 0.298 26 G HA3 -0.208 3.753 3.960 0.000 0.000 0.298 26 G C -2.481 172.535 174.900 0.194 0.000 0.949 26 G CA -0.500 44.696 45.100 0.159 0.000 1.072 26 G HN 0.358 nan 8.290 nan 0.000 0.512 27 P HA 0.407 nan 4.420 nan 0.000 0.265 27 P C 0.489 177.674 177.300 -0.192 0.000 1.193 27 P CA 0.412 63.435 63.100 -0.129 0.000 0.765 27 P CB 0.683 32.407 31.700 0.040 0.000 0.823 28 M N 1.646 121.022 119.600 -0.372 0.000 3.012 28 M HA 0.646 5.126 4.480 0.000 0.000 0.272 28 M C -1.867 174.416 176.300 -0.028 0.000 1.187 28 M CA -1.097 54.105 55.300 -0.164 0.000 0.813 28 M CB 1.685 34.371 32.600 0.143 0.000 1.626 28 M HN 0.061 nan 8.290 nan 0.000 0.507 29 I N 1.406 122.100 120.570 0.207 0.000 2.533 29 I HA 0.755 4.925 4.170 0.000 0.000 0.290 29 I C -2.326 173.952 176.117 0.269 0.000 1.056 29 I CA -0.268 61.151 61.300 0.198 0.000 1.057 29 I CB 2.111 40.208 38.000 0.161 0.000 1.240 29 I HN 0.683 nan 8.210 nan 0.000 0.423 30 Y N 6.750 127.103 120.300 0.087 0.000 2.401 30 Y HA 0.401 4.952 4.550 0.000 0.000 0.330 30 Y C -0.014 175.883 175.900 -0.006 0.000 1.071 30 Y CA -1.160 56.974 58.100 0.056 0.000 1.049 30 Y CB 1.447 39.946 38.460 0.064 0.000 1.239 30 Y HN 0.685 nan 8.280 nan 0.000 0.437 31 K N 4.496 124.561 120.400 -0.557 0.000 3.077 31 K HA -0.222 4.098 4.320 0.000 0.000 0.264 31 K C 0.856 177.287 176.600 -0.282 0.000 1.008 31 K CA 1.137 57.147 56.287 -0.461 0.000 0.740 31 K CB -1.532 30.647 32.500 -0.535 0.000 1.273 31 K HN 1.449 nan 8.250 nan 0.000 0.477 32 G N -0.274 108.376 108.800 -0.249 0.000 2.155 32 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 32 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 32 G C 0.152 174.844 174.900 -0.348 0.000 0.983 32 G CA 0.582 45.519 45.100 -0.272 0.000 0.676 32 G HN 0.440 nan 8.290 nan 0.000 0.528 33 I N 0.322 120.700 120.570 -0.319 0.000 2.389 33 I HA 0.404 4.574 4.170 0.000 0.000 0.288 33 I C -0.068 175.876 176.117 -0.288 0.000 0.999 33 I CA -1.299 59.792 61.300 -0.347 0.000 1.129 33 I CB 1.148 38.903 38.000 -0.409 0.000 1.288 33 I HN -0.013 nan 8.210 nan 0.000 0.444 34 Y N 5.085 125.316 120.300 -0.115 0.000 2.359 34 Y HA 0.258 4.808 4.550 0.000 0.000 0.330 34 Y C 0.529 176.401 175.900 -0.046 0.000 1.143 34 Y CA 0.126 58.227 58.100 0.002 0.000 1.318 34 Y CB 0.336 38.820 38.460 0.039 0.000 1.234 34 Y HN 0.397 nan 8.280 nan 0.000 0.522 35 H N 3.662 122.886 119.070 0.257 0.000 2.538 35 H HA 0.470 5.026 4.556 0.000 0.000 0.353 35 H C -1.387 173.930 175.328 -0.019 0.000 1.109 35 H CA -0.915 55.244 56.048 0.186 0.000 1.192 35 H CB 2.521 32.390 29.762 0.180 0.000 1.555 35 H HN 0.462 nan 8.280 nan 0.000 0.518 36 L N 3.695 124.833 121.223 -0.142 0.000 2.406 36 L HA 0.445 4.785 4.340 0.000 0.000 0.272 36 L C -1.828 174.711 176.870 -0.551 0.000 0.980 36 L CA -0.378 54.076 54.840 -0.644 0.000 0.831 36 L CB 0.863 42.019 42.059 -1.505 0.000 1.253 36 L HN 0.327 nan 8.230 nan 0.000 0.406 37 F N 4.706 124.502 119.950 -0.257 0.000 2.523 37 F HA 0.785 5.312 4.527 0.000 0.000 0.329 37 F C -0.715 174.908 175.800 -0.296 0.000 1.061 37 F CA -0.312 57.574 58.000 -0.190 0.000 0.967 37 F CB 1.882 40.763 39.000 -0.199 0.000 1.218 37 F HN 0.507 nan 8.300 nan 0.000 0.480 38 Y N -1.417 118.727 120.300 -0.259 0.000 2.565 38 Y HA 0.388 4.938 4.550 0.000 0.000 0.330 38 Y C -1.366 174.400 175.900 -0.223 0.000 1.150 38 Y CA -1.751 56.143 58.100 -0.344 0.000 1.055 38 Y CB 0.550 38.850 38.460 -0.266 0.000 1.337 38 Y HN 0.417 nan 8.280 nan 0.000 0.457 39 Q N 2.161 121.851 119.800 -0.184 0.000 2.244 39 Q HA 0.045 4.385 4.340 0.000 0.000 0.278 39 Q C -1.417 174.689 176.000 0.176 0.000 1.093 39 Q CA 0.802 56.563 55.803 -0.070 0.000 0.916 39 Q CB 0.903 29.608 28.738 -0.056 0.000 1.159 39 Q HN 0.878 nan 8.270 nan 0.000 0.384 40 W N 3.598 124.864 121.300 -0.057 0.000 2.936 40 W HA 0.291 4.951 4.660 0.000 0.000 0.338 40 W C -0.964 175.577 176.519 0.036 0.000 1.121 40 W CA -0.907 56.463 57.345 0.043 0.000 1.209 40 W CB 1.323 30.740 29.460 -0.072 0.000 1.420 40 W HN 0.389 nan 8.180 nan 0.000 0.516 41 N N 5.490 123.863 118.700 -0.545 0.000 2.501 41 N HA 0.357 5.098 4.740 0.000 0.000 0.245 41 N C -2.009 172.748 175.510 -1.254 0.000 0.974 41 N CA -2.303 50.351 53.050 -0.660 0.000 0.941 41 N CB 2.214 40.461 38.487 -0.401 0.000 1.122 41 N HN 0.056 nan 8.380 nan 0.000 0.507 42 P HA -0.093 nan 4.420 nan 0.000 0.223 42 P C -0.319 176.628 177.300 -0.590 0.000 1.144 42 P CA 1.423 63.846 63.100 -1.128 0.000 0.783 42 P CB 0.146 31.581 31.700 -0.440 0.000 0.771 43 K N -2.190 117.949 120.400 -0.434 0.000 3.054 43 K HA 0.589 4.909 4.320 0.000 0.000 0.203 43 K C 0.043 176.536 176.600 -0.178 0.000 1.126 43 K CA -0.514 55.631 56.287 -0.236 0.000 1.023 43 K CB 0.616 33.015 32.500 -0.167 0.000 0.722 43 K HN -0.051 nan 8.250 nan 0.000 0.441 44 G N -0.236 108.449 108.800 -0.192 0.000 2.632 44 G HA2 0.481 4.441 3.960 0.000 0.000 0.292 44 G HA3 0.481 4.441 3.960 0.000 0.000 0.292 44 G C -0.791 174.109 174.900 0.000 0.000 1.465 44 G CA -0.471 44.571 45.100 -0.098 0.000 0.824 44 G HN 0.061 nan 8.290 nan 0.000 0.509 45 A N -0.471 122.391 122.820 0.070 0.000 2.379 45 A HA 0.582 4.902 4.320 0.000 0.000 0.236 45 A C 0.872 178.631 177.584 0.292 0.000 1.272 45 A CA 0.862 53.017 52.037 0.198 0.000 0.886 45 A CB -0.571 18.502 19.000 0.121 0.000 0.962 45 A HN 1.953 nan 8.150 nan 0.000 0.504 46 V N -5.917 114.055 119.914 0.098 0.000 3.126 46 V HA 0.697 4.817 4.120 0.000 0.000 0.314 46 V C -0.210 175.494 176.094 -0.650 0.000 1.138 46 V CA -1.759 60.464 62.300 -0.128 0.000 1.034 46 V CB 0.878 32.622 31.823 -0.131 0.000 1.075 46 V HN 0.403 nan 8.190 nan 0.000 0.442 47 W N 1.611 121.976 121.300 -1.559 0.000 2.223 47 W HA 0.556 5.216 4.660 0.000 0.000 0.334 47 W C 0.527 176.651 176.519 -0.658 0.000 1.334 47 W CA 2.042 58.463 57.345 -1.540 0.000 1.246 47 W CB 0.231 28.961 29.460 -1.217 0.000 1.184 47 W HN 1.345 nan 8.180 nan 0.000 0.563 48 G N 4.078 112.078 108.800 -1.335 0.000 2.347 48 G HA2 0.023 3.983 3.960 0.000 0.000 0.303 48 G HA3 0.023 3.983 3.960 0.000 0.000 0.303 48 G C -0.424 173.998 174.900 -0.796 0.000 1.481 48 G CA -0.533 43.956 45.100 -1.017 0.000 0.914 48 G HN 0.753 nan 8.290 nan 0.000 0.638 49 N N -1.432 116.941 118.700 -0.546 0.000 2.696 49 N HA -0.198 4.542 4.740 0.000 0.000 0.249 49 N C 0.545 175.870 175.510 -0.309 0.000 1.090 49 N CA 1.207 54.060 53.050 -0.329 0.000 0.716 49 N CB -0.724 37.598 38.487 -0.275 0.000 1.020 49 N HN 0.823 nan 8.380 nan 0.000 0.548 50 I N 0.907 121.219 120.570 -0.430 0.000 2.821 50 I HA -0.086 4.084 4.170 0.000 0.000 0.294 50 I C 0.773 176.917 176.117 0.046 0.000 1.210 50 I CA 0.273 61.433 61.300 -0.233 0.000 1.430 50 I CB 0.520 38.362 38.000 -0.263 0.000 1.356 50 I HN 0.133 nan 8.210 nan 0.000 0.563 51 V N 4.400 124.384 119.914 0.116 0.000 3.167 51 V HA 0.582 4.702 4.120 0.000 0.000 0.310 51 V C -1.444 174.828 176.094 0.296 0.000 1.207 51 V CA -1.049 61.399 62.300 0.247 0.000 1.059 51 V CB 1.609 33.584 31.823 0.254 0.000 1.079 51 V HN 0.645 nan 8.190 nan 0.000 0.446 52 W N 1.819 123.107 121.300 -0.020 0.000 2.311 52 W HA 0.821 5.481 4.660 0.000 0.000 0.317 52 W C 0.572 177.045 176.519 -0.077 0.000 1.065 52 W CA 0.239 57.526 57.345 -0.097 0.000 1.364 52 W CB 0.771 30.092 29.460 -0.232 0.000 1.233 52 W HN 0.997 nan 8.180 nan 0.000 0.409 53 A N 2.837 125.537 122.820 -0.200 0.000 2.287 53 A HA 0.539 4.859 4.320 0.000 0.000 0.273 53 A C -1.068 176.385 177.584 -0.218 0.000 1.091 53 A CA 0.015 51.796 52.037 -0.426 0.000 0.817 53 A CB 0.579 18.812 19.000 -1.278 0.000 1.069 53 A HN 0.595 nan 8.150 nan 0.000 0.492 54 H N -0.623 118.369 119.070 -0.129 0.000 2.806 54 H HA 0.728 5.284 4.556 0.000 0.000 0.367 54 H C -1.141 174.261 175.328 0.123 0.000 1.136 54 H CA -0.528 55.487 56.048 -0.054 0.000 1.178 54 H CB 1.794 31.609 29.762 0.087 0.000 1.718 54 H HN 0.553 nan 8.280 nan 0.000 0.540 55 S N 1.719 117.443 115.700 0.040 0.000 2.556 55 S HA 0.604 5.074 4.470 0.000 0.000 0.271 55 S C -1.103 173.615 174.600 0.197 0.000 1.135 55 S CA -0.535 57.756 58.200 0.151 0.000 0.858 55 S CB 1.731 65.119 63.200 0.313 0.000 1.114 55 S HN 0.838 nan 8.310 nan 0.000 0.468 56 T N -1.048 113.712 114.554 0.344 0.000 2.916 56 T HA 0.884 5.234 4.350 0.000 0.000 0.292 56 T C -0.537 174.164 174.700 0.002 0.000 1.055 56 T CA -0.817 61.377 62.100 0.156 0.000 1.009 56 T CB 1.799 70.662 68.868 -0.008 0.000 1.118 56 T HN 0.519 nan 8.240 nan 0.000 0.497 57 S N -0.487 115.018 115.700 -0.325 0.000 2.596 57 S HA 0.631 5.101 4.470 0.000 0.000 0.270 57 S C 0.456 174.914 174.600 -0.236 0.000 1.155 57 S CA -0.057 57.801 58.200 -0.571 0.000 0.827 57 S CB 1.501 63.701 63.200 -1.666 0.000 1.130 57 S HN 1.207 nan 8.310 nan 0.000 0.467 58 T N -0.970 113.483 114.554 -0.167 0.000 3.044 58 T HA 0.271 4.621 4.350 0.000 0.000 0.260 58 T C 0.206 174.959 174.700 0.089 0.000 1.019 58 T CA 0.611 62.701 62.100 -0.016 0.000 0.921 58 T CB -0.194 68.637 68.868 -0.061 0.000 1.053 58 T HN 0.627 nan 8.240 nan 0.000 0.533 59 D N 0.468 120.827 120.400 -0.068 0.000 2.516 59 D HA 0.203 4.844 4.640 0.000 0.000 0.241 59 D C 1.053 177.193 176.300 -0.267 0.000 1.246 59 D CA -0.486 53.446 54.000 -0.114 0.000 0.808 59 D CB -0.597 40.130 40.800 -0.123 0.000 1.147 59 D HN 0.325 nan 8.370 nan 0.000 0.527 60 L N -0.168 120.803 121.223 -0.420 0.000 4.696 60 L HA -0.243 4.097 4.340 0.000 0.000 0.425 60 L C 0.425 177.292 176.870 -0.006 0.000 1.115 60 L CA 0.478 55.155 54.840 -0.272 0.000 0.996 60 L CB -1.073 40.804 42.059 -0.302 0.000 2.077 60 L HN 0.224 nan 8.230 nan 0.000 0.792 61 I N -1.838 118.623 120.570 -0.182 0.000 4.033 61 I HA 0.166 4.336 4.170 0.000 0.000 0.296 61 I C 1.085 177.212 176.117 0.016 0.000 1.210 61 I CA 0.774 62.091 61.300 0.028 0.000 1.341 61 I CB -0.065 37.911 38.000 -0.041 0.000 1.369 61 I HN 0.168 nan 8.210 nan 0.000 0.453 62 N N 1.009 119.565 118.700 -0.241 0.000 2.425 62 N HA 0.215 4.955 4.740 0.000 0.000 0.268 62 N C -1.496 173.770 175.510 -0.406 0.000 0.991 62 N CA -0.161 52.794 53.050 -0.157 0.000 0.931 62 N CB 1.351 39.767 38.487 -0.117 0.000 1.130 62 N HN 0.008 nan 8.380 nan 0.000 0.493 63 W N 0.794 122.151 121.300 0.095 0.000 2.632 63 W HA 0.354 5.014 4.660 0.000 0.000 0.328 63 W C -0.257 176.284 176.519 0.036 0.000 1.044 63 W CA -0.667 56.741 57.345 0.106 0.000 1.225 63 W CB 1.301 30.914 29.460 0.256 0.000 1.396 63 W HN 0.211 nan 8.180 nan 0.000 0.499 64 D N 3.254 123.770 120.400 0.193 0.000 2.217 64 D HA 0.320 4.960 4.640 0.000 0.000 0.243 64 D C -2.343 173.884 176.300 -0.121 0.000 1.054 64 D CA -1.513 52.487 54.000 -0.000 0.000 0.838 64 D CB 1.641 42.404 40.800 -0.061 0.000 1.162 64 D HN -0.188 nan 8.370 nan 0.000 0.472 65 P HA 0.146 nan 4.420 nan 0.000 0.270 65 P C -0.524 176.436 177.300 -0.565 0.000 1.223 65 P CA 0.269 63.227 63.100 -0.237 0.000 0.785 65 P CB 0.706 32.308 31.700 -0.163 0.000 0.923 66 H N -1.047 118.010 119.070 -0.022 0.000 3.042 66 H HA 0.316 4.872 4.556 0.000 0.000 0.346 66 H C -2.491 172.881 175.328 0.073 0.000 1.294 66 H CA -1.410 54.647 56.048 0.014 0.000 1.141 66 H CB 0.835 30.571 29.762 -0.043 0.000 1.872 66 H HN 0.226 nan 8.280 nan 0.000 0.541 67 P HA 0.148 nan 4.420 nan 0.000 0.272 67 P C -2.504 174.959 177.300 0.273 0.000 1.223 67 P CA -1.191 62.030 63.100 0.202 0.000 0.784 67 P CB -0.159 31.656 31.700 0.191 0.000 0.923 68 P HA -0.072 nan 4.420 nan 0.000 0.260 68 P C 0.229 177.784 177.300 0.424 0.000 1.172 68 P CA 0.668 63.945 63.100 0.295 0.000 0.760 68 P CB 0.283 32.136 31.700 0.255 0.000 0.773 69 A N 4.639 127.670 122.820 0.352 0.000 1.935 69 A HA 0.090 4.410 4.320 0.000 0.000 0.214 69 A C 0.817 178.354 177.584 -0.078 0.000 1.178 69 A CA 1.109 53.265 52.037 0.200 0.000 0.640 69 A CB -0.250 18.761 19.000 0.018 0.000 0.825 69 A HN 0.530 nan 8.150 nan 0.000 0.447 70 I N 0.085 120.560 120.570 -0.158 0.000 2.499 70 I HA 0.526 4.696 4.170 0.000 0.000 0.288 70 I C -1.299 174.707 176.117 -0.185 0.000 1.048 70 I CA -0.770 60.215 61.300 -0.526 0.000 1.062 70 I CB 2.054 39.336 38.000 -1.197 0.000 1.238 70 I HN 0.329 nan 8.210 nan 0.000 0.426 71 F N 4.267 124.115 119.950 -0.169 0.000 2.654 71 F HA 0.666 5.193 4.527 0.000 0.000 0.308 71 F C -3.066 172.690 175.800 -0.073 0.000 1.108 71 F CA -3.079 54.878 58.000 -0.071 0.000 0.957 71 F CB 0.450 39.445 39.000 -0.009 0.000 1.309 71 F HN 0.103 nan 8.300 nan 0.000 0.446 72 P HA 0.106 nan 4.420 nan 0.000 0.258 72 P C 0.205 177.523 177.300 0.029 0.000 1.172 72 P CA 0.829 63.947 63.100 0.030 0.000 0.762 72 P CB 0.703 32.435 31.700 0.053 0.000 0.764 73 S N 1.606 117.235 115.700 -0.119 0.000 2.702 73 S HA 0.509 4.979 4.470 0.000 0.000 0.257 73 S C 0.066 174.527 174.600 -0.231 0.000 0.981 73 S CA 0.088 58.218 58.200 -0.118 0.000 1.414 73 S CB 0.006 63.124 63.200 -0.136 0.000 1.239 73 S HN 0.548 nan 8.310 nan 0.000 0.676 74 A N 1.379 123.954 122.820 -0.408 0.000 2.593 74 A HA 0.885 5.205 4.320 0.000 0.000 0.290 74 A C -2.662 174.574 177.584 -0.580 0.000 1.126 74 A CA -1.683 49.990 52.037 -0.605 0.000 0.695 74 A CB 0.411 18.708 19.000 -1.173 0.000 1.290 74 A HN -0.016 nan 8.150 nan 0.000 0.414 75 P HA -0.113 nan 4.420 nan 0.000 0.216 75 P C 1.043 178.234 177.300 -0.182 0.000 1.150 75 P CA 1.715 64.676 63.100 -0.231 0.000 0.837 75 P CB -0.156 31.479 31.700 -0.108 0.000 0.786 76 F N -0.352 119.568 119.950 -0.050 0.000 2.699 76 F HA 0.061 4.588 4.527 0.000 0.000 0.298 76 F C 0.278 176.032 175.800 -0.075 0.000 1.154 76 F CA 0.598 58.552 58.000 -0.076 0.000 1.457 76 F CB -1.191 37.750 39.000 -0.098 0.000 1.106 76 F HN -0.008 nan 8.300 nan 0.000 0.585 77 D N -1.310 119.034 120.400 -0.094 0.000 2.740 77 D HA 0.047 4.687 4.640 0.000 0.000 0.305 77 D C 1.061 177.322 176.300 -0.066 0.000 1.583 77 D CA -0.342 53.669 54.000 0.020 0.000 0.790 77 D CB -1.391 39.546 40.800 0.228 0.000 1.187 77 D HN 0.200 nan 8.370 nan 0.000 0.447 78 I N 0.802 121.302 120.570 -0.116 0.000 2.335 78 I HA -0.100 4.071 4.170 0.000 0.000 0.251 78 I C 0.791 176.884 176.117 -0.039 0.000 1.129 78 I CA 1.355 62.601 61.300 -0.090 0.000 1.402 78 I CB -0.103 37.840 38.000 -0.095 0.000 1.069 78 I HN 0.022 nan 8.210 nan 0.000 0.424 79 N N 0.949 119.628 118.700 -0.034 0.000 2.268 79 N HA 0.308 5.049 4.740 0.000 0.000 0.204 79 N C 0.118 175.648 175.510 0.032 0.000 1.124 79 N CA 0.806 53.853 53.050 -0.004 0.000 0.838 79 N CB 0.598 39.078 38.487 -0.011 0.000 0.994 79 N HN 0.440 nan 8.380 nan 0.000 0.489 80 G N -0.394 108.427 108.800 0.035 0.000 2.318 80 G HA2 0.023 3.983 3.960 0.000 0.000 0.302 80 G HA3 0.023 3.983 3.960 0.000 0.000 0.302 80 G C -1.460 173.538 174.900 0.164 0.000 1.633 80 G CA -0.874 44.307 45.100 0.136 0.000 0.965 80 G HN 0.124 nan 8.290 nan 0.000 0.698 81 C N 2.349 121.845 119.300 0.328 0.000 2.317 81 C HA 0.599 5.060 4.460 0.000 0.000 0.306 81 C C 0.349 175.766 174.990 0.711 0.000 1.087 81 C CA -1.136 58.105 59.018 0.371 0.000 1.529 81 C CB -1.431 26.334 27.740 0.042 0.000 1.880 81 C HN 0.559 nan 8.230 nan 0.000 0.417 82 W N 1.427 122.976 121.300 0.415 0.000 1.833 82 W HA 0.383 5.043 4.660 0.000 0.000 0.390 82 W C 0.941 177.743 176.519 0.472 0.000 1.680 82 W CA -0.723 56.845 57.345 0.373 0.000 1.828 82 W CB -0.252 29.374 29.460 0.277 0.000 1.357 82 W HN 0.427 nan 8.180 nan 0.000 0.720 83 S N 0.068 116.044 115.700 0.461 0.000 2.569 83 S HA 0.485 4.955 4.470 0.000 0.000 0.274 83 S C 0.335 175.182 174.600 0.411 0.000 1.353 83 S CA 0.606 58.945 58.200 0.232 0.000 1.023 83 S CB 0.310 63.546 63.200 0.061 0.000 0.876 83 S HN 0.675 nan 8.310 nan 0.000 0.540 84 G N 0.194 109.209 108.800 0.358 0.000 2.489 84 G HA2 0.567 4.527 3.960 0.000 0.000 0.305 84 G HA3 0.567 4.527 3.960 0.000 0.000 0.305 84 G C -1.642 173.448 174.900 0.316 0.000 1.311 84 G CA -0.652 44.694 45.100 0.411 0.000 0.813 84 G HN 0.697 nan 8.290 nan 0.000 0.480 85 S N -1.354 114.510 115.700 0.273 0.000 2.627 85 S HA 0.853 5.323 4.470 0.000 0.000 0.283 85 S C -0.247 174.460 174.600 0.179 0.000 1.127 85 S CA -0.066 58.267 58.200 0.222 0.000 0.863 85 S CB 1.786 65.117 63.200 0.219 0.000 1.121 85 S HN 1.624 nan 8.310 nan 0.000 0.479 86 A N 1.258 124.181 122.820 0.171 0.000 2.317 86 A HA 0.780 5.101 4.320 0.000 0.000 0.327 86 A C -0.321 177.375 177.584 0.187 0.000 1.178 86 A CA -0.512 51.601 52.037 0.127 0.000 0.817 86 A CB 0.577 19.647 19.000 0.116 0.000 1.189 86 A HN 0.600 nan 8.150 nan 0.000 0.489 87 T N 3.059 117.695 114.554 0.136 0.000 2.841 87 T HA 0.465 4.815 4.350 0.000 0.000 0.283 87 T C -0.372 174.361 174.700 0.054 0.000 1.000 87 T CA -0.282 61.910 62.100 0.153 0.000 0.977 87 T CB 0.835 69.784 68.868 0.134 0.000 0.979 87 T HN 0.420 nan 8.240 nan 0.000 0.446 88 I N 4.349 125.011 120.570 0.153 0.000 2.297 88 I HA 0.283 4.453 4.170 0.000 0.000 0.291 88 I C 0.477 176.670 176.117 0.127 0.000 1.033 88 I CA -0.534 60.845 61.300 0.132 0.000 1.253 88 I CB 0.303 38.443 38.000 0.234 0.000 1.396 88 I HN 0.499 nan 8.210 nan 0.000 0.476 89 L N 8.098 129.310 121.223 -0.019 0.000 2.473 89 L HA 0.136 4.476 4.340 0.000 0.000 0.268 89 L C -0.930 176.045 176.870 0.176 0.000 1.215 89 L CA -1.204 53.646 54.840 0.016 0.000 0.823 89 L CB -0.057 41.890 42.059 -0.187 0.000 1.099 89 L HN 0.301 nan 8.230 nan 0.000 0.483 90 P HA -0.193 nan 4.420 nan 0.000 0.217 90 P C 0.677 178.063 177.300 0.143 0.000 1.151 90 P CA 1.585 64.814 63.100 0.214 0.000 0.849 90 P CB -0.148 31.689 31.700 0.228 0.000 0.787 91 N N -1.747 117.020 118.700 0.110 0.000 2.501 91 N HA 0.022 4.762 4.740 0.000 0.000 0.195 91 N C 1.097 176.658 175.510 0.085 0.000 1.213 91 N CA 0.587 53.685 53.050 0.080 0.000 0.864 91 N CB -0.611 37.907 38.487 0.051 0.000 0.999 91 N HN 0.101 nan 8.380 nan 0.000 0.454 92 G N 0.946 109.813 108.800 0.112 0.000 2.179 92 G HA2 -0.366 3.594 3.960 0.000 0.000 0.260 92 G HA3 -0.366 3.594 3.960 0.000 0.000 0.260 92 G C -0.029 174.971 174.900 0.167 0.000 0.977 92 G CA 0.257 45.450 45.100 0.155 0.000 0.641 92 G HN 0.559 nan 8.290 nan 0.000 0.533 93 K N 1.853 122.282 120.400 0.048 0.000 2.297 93 K HA 0.465 4.785 4.320 0.000 0.000 0.286 93 K C -2.237 174.279 176.600 -0.141 0.000 1.053 93 K CA -1.843 54.404 56.287 -0.067 0.000 0.940 93 K CB 1.367 33.802 32.500 -0.107 0.000 1.019 93 K HN 0.121 nan 8.250 nan 0.000 0.475 94 P HA 0.101 nan 4.420 nan 0.000 0.290 94 P C -0.986 176.243 177.300 -0.118 0.000 1.276 94 P CA -0.521 62.476 63.100 -0.171 0.000 0.808 94 P CB 1.377 32.928 31.700 -0.248 0.000 0.966 95 V N 1.072 120.950 119.914 -0.061 0.000 3.040 95 V HA 0.656 4.776 4.120 0.000 0.000 0.312 95 V C -0.510 175.610 176.094 0.043 0.000 1.115 95 V CA -1.132 61.169 62.300 0.003 0.000 0.998 95 V CB 2.326 34.037 31.823 -0.186 0.000 1.042 95 V HN 0.337 nan 8.190 nan 0.000 0.433 96 I N 2.542 123.123 120.570 0.018 0.000 2.509 96 I HA 0.512 4.682 4.170 0.000 0.000 0.293 96 I C -1.000 175.066 176.117 -0.085 0.000 1.020 96 I CA -0.630 60.580 61.300 -0.151 0.000 1.088 96 I CB 2.105 39.730 38.000 -0.625 0.000 1.267 96 I HN 0.466 nan 8.210 nan 0.000 0.430 97 L N 7.342 128.540 121.223 -0.041 0.000 2.325 97 L HA 0.497 4.837 4.340 0.000 0.000 0.281 97 L C -1.108 175.739 176.870 -0.038 0.000 1.004 97 L CA -0.778 53.996 54.840 -0.110 0.000 0.823 97 L CB 1.165 43.132 42.059 -0.153 0.000 1.236 97 L HN 0.520 nan 8.230 nan 0.000 0.415 98 Y N 0.405 120.577 120.300 -0.212 0.000 2.581 98 Y HA 0.671 5.221 4.550 0.000 0.000 0.345 98 Y C -0.461 175.391 175.900 -0.081 0.000 1.036 98 Y CA -1.121 56.937 58.100 -0.069 0.000 1.042 98 Y CB 1.415 39.737 38.460 -0.231 0.000 1.289 98 Y HN 0.274 nan 8.280 nan 0.000 0.471 99 T N 2.283 116.906 114.554 0.116 0.000 2.771 99 T HA 0.615 4.965 4.350 0.000 0.000 0.291 99 T C 0.153 174.895 174.700 0.071 0.000 0.954 99 T CA -0.051 62.028 62.100 -0.034 0.000 1.045 99 T CB 0.755 69.672 68.868 0.082 0.000 0.917 99 T HN 1.018 nan 8.240 nan 0.000 0.484 100 G N 2.001 110.720 108.800 -0.134 0.000 2.473 100 G HA2 0.649 4.609 3.960 0.000 0.000 0.321 100 G HA3 0.649 4.609 3.960 0.000 0.000 0.321 100 G C -0.951 173.813 174.900 -0.225 0.000 1.200 100 G CA -0.719 44.356 45.100 -0.041 0.000 0.963 100 G HN 0.596 nan 8.290 nan 0.000 0.483 101 I N 2.229 122.645 120.570 -0.256 0.000 2.330 101 I HA 0.233 4.403 4.170 0.000 0.000 0.289 101 I C -0.190 175.849 176.117 -0.129 0.000 1.001 101 I CA -1.061 60.065 61.300 -0.290 0.000 1.193 101 I CB 0.889 38.675 38.000 -0.356 0.000 1.345 101 I HN 0.652 nan 8.210 nan 0.000 0.461 102 D N 7.810 128.154 120.400 -0.093 0.000 2.433 102 D HA 0.255 4.895 4.640 0.000 0.000 0.255 102 D C -2.136 174.137 176.300 -0.044 0.000 1.226 102 D CA -1.880 52.091 54.000 -0.048 0.000 1.015 102 D CB 0.247 41.034 40.800 -0.022 0.000 1.091 102 D HN 0.125 nan 8.370 nan 0.000 0.527 103 P HA -0.170 nan 4.420 nan 0.000 0.217 103 P C 0.639 177.928 177.300 -0.019 0.000 1.148 103 P CA 1.679 64.763 63.100 -0.027 0.000 0.834 103 P CB 0.111 31.797 31.700 -0.023 0.000 0.783 104 K N -0.971 119.417 120.400 -0.019 0.000 2.469 104 K HA 0.142 4.462 4.320 0.000 0.000 0.201 104 K C 0.143 176.734 176.600 -0.015 0.000 1.028 104 K CA -0.177 56.102 56.287 -0.013 0.000 1.170 104 K CB -0.740 31.754 32.500 -0.011 0.000 0.874 104 K HN 0.101 nan 8.250 nan 0.000 0.507 105 N N 1.578 120.262 118.700 -0.026 0.000 2.741 105 N HA -0.191 4.549 4.740 0.000 0.000 0.250 105 N C -0.695 174.779 175.510 -0.059 0.000 1.115 105 N CA 0.836 53.864 53.050 -0.036 0.000 0.724 105 N CB -1.022 37.467 38.487 0.003 0.000 1.090 105 N HN 0.494 nan 8.380 nan 0.000 0.558 106 Q N 0.379 120.143 119.800 -0.059 0.000 2.235 106 Q HA 0.316 4.657 4.340 0.000 0.000 0.250 106 Q C 0.041 175.985 176.000 -0.092 0.000 0.909 106 Q CA -0.269 55.505 55.803 -0.048 0.000 0.910 106 Q CB 1.086 29.812 28.738 -0.019 0.000 1.223 106 Q HN 0.153 nan 8.270 nan 0.000 0.432 107 Q N 1.468 121.228 119.800 -0.067 0.000 2.295 107 Q HA 0.333 4.673 4.340 0.000 0.000 0.259 107 Q C -0.518 175.484 176.000 0.003 0.000 0.976 107 Q CA -0.399 55.339 55.803 -0.108 0.000 0.923 107 Q CB 1.016 29.725 28.738 -0.048 0.000 1.185 107 Q HN 0.484 nan 8.270 nan 0.000 0.410 108 V N -0.223 119.634 119.914 -0.094 0.000 3.001 108 V HA 0.529 4.649 4.120 0.000 0.000 0.314 108 V C -1.157 174.779 176.094 -0.263 0.000 1.099 108 V CA -1.147 61.099 62.300 -0.091 0.000 0.989 108 V CB 2.345 34.125 31.823 -0.073 0.000 1.040 108 V HN 0.542 nan 8.190 nan 0.000 0.434 109 Q N 2.855 122.451 119.800 -0.339 0.000 2.347 109 Q HA 0.567 4.907 4.340 0.000 0.000 0.262 109 Q C -1.104 174.556 176.000 -0.567 0.000 0.980 109 Q CA -0.262 55.238 55.803 -0.505 0.000 0.867 109 Q CB 1.200 29.579 28.738 -0.597 0.000 1.242 109 Q HN 0.849 nan 8.270 nan 0.000 0.453 110 N N 2.219 120.448 118.700 -0.785 0.000 2.335 110 N HA 0.528 5.268 4.740 0.000 0.000 0.304 110 N C -0.593 174.510 175.510 -0.678 0.000 1.135 110 N CA -0.602 51.943 53.050 -0.841 0.000 0.817 110 N CB 2.385 40.219 38.487 -1.088 0.000 1.294 110 N HN 0.527 nan 8.380 nan 0.000 0.497 111 I N 0.430 120.751 120.570 -0.416 0.000 2.525 111 I HA 0.653 4.823 4.170 0.000 0.000 0.301 111 I C -0.827 175.246 176.117 -0.074 0.000 0.992 111 I CA -0.538 60.652 61.300 -0.182 0.000 1.162 111 I CB 1.264 39.225 38.000 -0.066 0.000 1.332 111 I HN 0.605 nan 8.210 nan 0.000 0.458 112 A N 6.415 129.236 122.820 0.001 0.000 2.515 112 A HA 0.729 5.049 4.320 0.000 0.000 0.298 112 A C -1.330 176.382 177.584 0.213 0.000 1.059 112 A CA -0.562 51.516 52.037 0.067 0.000 0.698 112 A CB 1.540 20.503 19.000 -0.062 0.000 1.289 112 A HN 0.768 nan 8.150 nan 0.000 0.404 113 E N 0.954 121.288 120.200 0.223 0.000 2.416 113 E HA 0.689 5.039 4.350 0.000 0.000 0.273 113 E C -3.087 173.285 176.600 -0.380 0.000 0.935 113 E CA -2.305 54.103 56.400 0.014 0.000 0.784 113 E CB 1.930 31.566 29.700 -0.107 0.000 1.301 113 E HN 0.255 nan 8.360 nan 0.000 0.454 114 P HA 0.080 nan 4.420 nan 0.000 0.271 114 P C -0.285 176.711 177.300 -0.506 0.000 1.218 114 P CA -0.248 62.183 63.100 -1.115 0.000 0.780 114 P CB 0.719 31.776 31.700 -1.071 0.000 0.901 115 K N 0.904 121.079 120.400 -0.374 0.000 2.262 115 K HA 0.038 4.358 4.320 0.000 0.000 0.200 115 K C 0.511 177.020 176.600 -0.153 0.000 1.049 115 K CA 0.862 57.036 56.287 -0.188 0.000 0.979 115 K CB 0.079 32.517 32.500 -0.104 0.000 0.773 115 K HN 0.337 nan 8.250 nan 0.000 0.474 116 N N 0.903 119.499 118.700 -0.174 0.000 2.576 116 N HA 0.150 4.890 4.740 0.000 0.000 0.269 116 N C 0.105 175.549 175.510 -0.110 0.000 1.058 116 N CA -0.133 52.857 53.050 -0.100 0.000 0.860 116 N CB 1.003 39.466 38.487 -0.041 0.000 1.249 116 N HN -0.064 nan 8.380 nan 0.000 0.525 117 L N 1.076 122.243 121.223 -0.094 0.000 2.465 117 L HA 0.023 4.363 4.340 0.000 0.000 0.224 117 L C 1.478 178.408 176.870 0.101 0.000 1.145 117 L CA 0.610 55.427 54.840 -0.038 0.000 0.834 117 L CB 0.029 42.072 42.059 -0.028 0.000 0.944 117 L HN 0.390 nan 8.230 nan 0.000 0.451 118 S N -1.434 114.299 115.700 0.053 0.000 2.562 118 S HA -0.045 4.426 4.470 0.000 0.000 0.221 118 S C 0.507 175.161 174.600 0.089 0.000 0.975 118 S CA 0.074 58.312 58.200 0.064 0.000 0.918 118 S CB -0.241 62.980 63.200 0.035 0.000 0.772 118 S HN 0.323 nan 8.310 nan 0.000 0.531 119 D N 2.268 122.730 120.400 0.103 0.000 2.380 119 D HA 0.191 4.832 4.640 0.000 0.000 0.230 119 D C -1.483 174.943 176.300 0.210 0.000 1.154 119 D CA -2.401 51.691 54.000 0.153 0.000 0.859 119 D CB 1.291 42.165 40.800 0.123 0.000 1.045 119 D HN 0.019 nan 8.370 nan 0.000 0.495 120 P HA -0.149 nan 4.420 nan 0.000 0.228 120 P C 0.346 177.636 177.300 -0.016 0.000 1.151 120 P CA 0.874 63.998 63.100 0.039 0.000 0.770 120 P CB -0.000 31.588 31.700 -0.187 0.000 0.786 121 Y N -0.576 119.848 120.300 0.207 0.000 2.457 121 Y HA 0.289 4.839 4.550 0.000 0.000 0.263 121 Y C 1.391 177.485 175.900 0.322 0.000 1.164 121 Y CA -0.541 57.660 58.100 0.169 0.000 1.274 121 Y CB -0.656 37.755 38.460 -0.081 0.000 1.097 121 Y HN -0.307 nan 8.280 nan 0.000 0.523 122 L N 0.714 122.153 121.223 0.360 0.000 4.035 122 L HA -0.399 3.941 4.340 0.000 0.000 0.490 122 L C 1.287 178.399 176.870 0.403 0.000 1.163 122 L CA 0.265 55.221 54.840 0.194 0.000 0.680 122 L CB -0.956 41.167 42.059 0.106 0.000 1.409 122 L HN 0.377 nan 8.230 nan 0.000 0.786 123 R N 0.288 120.952 120.500 0.274 0.000 2.090 123 R HA 0.034 4.374 4.340 0.000 0.000 0.228 123 R C 0.487 177.013 176.300 0.376 0.000 1.110 123 R CA 1.036 57.335 56.100 0.331 0.000 0.973 123 R CB 0.129 30.556 30.300 0.212 0.000 0.869 123 R HN 0.551 nan 8.270 nan 0.000 0.440 124 E N -0.717 119.599 120.200 0.195 0.000 2.171 124 E HA 0.165 4.515 4.350 0.000 0.000 0.271 124 E C -1.416 175.187 176.600 0.004 0.000 0.916 124 E CA -0.502 56.002 56.400 0.173 0.000 0.774 124 E CB 1.394 31.148 29.700 0.090 0.000 1.128 124 E HN 0.006 nan 8.360 nan 0.000 0.403 125 W N 2.638 123.913 121.300 -0.041 0.000 2.736 125 W HA 0.330 4.991 4.660 0.000 0.000 0.335 125 W C -0.325 176.116 176.519 -0.130 0.000 1.059 125 W CA -0.730 56.543 57.345 -0.120 0.000 1.226 125 W CB 1.327 30.658 29.460 -0.214 0.000 1.416 125 W HN 0.305 nan 8.180 nan 0.000 0.505 126 K N 1.307 121.749 120.400 0.071 0.000 2.208 126 K HA 0.762 5.082 4.320 0.000 0.000 0.247 126 K C -0.914 175.711 176.600 0.042 0.000 0.953 126 K CA -1.197 55.105 56.287 0.025 0.000 0.837 126 K CB 2.121 34.615 32.500 -0.011 0.000 1.131 126 K HN 0.321 nan 8.250 nan 0.000 0.431 127 K N 1.406 121.836 120.400 0.049 0.000 2.339 127 K HA 0.139 4.459 4.320 0.000 0.000 0.264 127 K C -0.573 176.057 176.600 0.049 0.000 0.986 127 K CA -0.674 55.661 56.287 0.079 0.000 0.866 127 K CB 1.896 34.536 32.500 0.232 0.000 1.103 127 K HN 0.711 nan 8.250 nan 0.000 0.441 128 S N 3.776 119.442 115.700 -0.056 0.000 2.573 128 S HA 0.012 4.482 4.470 0.000 0.000 0.297 128 S C -1.116 173.429 174.600 -0.092 0.000 1.280 128 S CA -0.939 57.213 58.200 -0.079 0.000 1.061 128 S CB 0.372 63.505 63.200 -0.112 0.000 0.812 128 S HN 0.486 nan 8.310 nan 0.000 0.500 129 P HA 0.020 nan 4.420 nan 0.000 0.242 129 P C 0.894 178.186 177.300 -0.013 0.000 1.197 129 P CA 0.586 63.716 63.100 0.050 0.000 0.765 129 P CB 0.006 31.735 31.700 0.049 0.000 0.936 130 L N -1.353 119.818 121.223 -0.087 0.000 2.558 130 L HA 0.105 4.445 4.340 0.000 0.000 0.225 130 L C 0.907 177.666 176.870 -0.186 0.000 1.128 130 L CA -0.064 54.720 54.840 -0.094 0.000 0.868 130 L CB -0.730 41.288 42.059 -0.068 0.000 1.006 130 L HN -0.084 nan 8.230 nan 0.000 0.454 131 N N 1.777 120.238 118.700 -0.398 0.000 2.441 131 N HA 0.125 4.865 4.740 0.000 0.000 0.251 131 N C -2.183 173.101 175.510 -0.377 0.000 1.242 131 N CA -0.809 51.846 53.050 -0.659 0.000 0.898 131 N CB 0.315 37.813 38.487 -1.648 0.000 1.100 131 N HN -0.009 nan 8.380 nan 0.000 0.443 132 P HA 0.166 nan 4.420 nan 0.000 0.281 132 P C 0.408 177.570 177.300 -0.230 0.000 1.249 132 P CA -0.459 62.449 63.100 -0.320 0.000 0.810 132 P CB 1.129 32.708 31.700 -0.202 0.000 1.008 133 L N 0.886 121.948 121.223 -0.268 0.000 2.270 133 L HA 0.186 4.526 4.340 0.000 0.000 0.210 133 L C 1.277 178.050 176.870 -0.161 0.000 1.104 133 L CA 1.648 56.391 54.840 -0.161 0.000 0.804 133 L CB -0.608 41.349 42.059 -0.170 0.000 0.937 133 L HN 0.434 nan 8.230 nan 0.000 0.450 134 M N -1.354 118.082 119.600 -0.274 0.000 2.271 134 M HA 0.628 5.109 4.480 0.000 0.000 0.285 134 M C -0.967 175.305 176.300 -0.046 0.000 1.059 134 M CA -0.149 54.998 55.300 -0.255 0.000 0.940 134 M CB 2.632 34.777 32.600 -0.758 0.000 1.636 134 M HN -0.114 nan 8.290 nan 0.000 0.460 135 A N 3.154 126.023 122.820 0.081 0.000 2.587 135 A HA 1.003 5.323 4.320 0.000 0.000 0.293 135 A C -3.070 174.530 177.584 0.028 0.000 1.087 135 A CA -1.557 50.546 52.037 0.110 0.000 0.692 135 A CB 1.602 20.617 19.000 0.025 0.000 1.291 135 A HN 0.459 nan 8.150 nan 0.000 0.407 136 P HA 0.474 nan 4.420 nan 0.000 0.281 136 P C -1.282 175.967 177.300 -0.085 0.000 1.252 136 P CA 0.273 63.274 63.100 -0.164 0.000 0.778 136 P CB 0.878 32.497 31.700 -0.134 0.000 0.895 137 D N 0.775 121.118 120.400 -0.095 0.000 2.677 137 D HA 0.436 5.076 4.640 0.000 0.000 0.298 137 D C 0.408 176.670 176.300 -0.064 0.000 1.250 137 D CA -0.975 52.990 54.000 -0.059 0.000 0.888 137 D CB 0.103 40.882 40.800 -0.035 0.000 1.397 137 D HN 0.097 nan 8.370 nan 0.000 0.461 138 A N -0.338 122.454 122.820 -0.047 0.000 2.067 138 A HA 0.050 4.370 4.320 0.000 0.000 0.219 138 A C 1.839 179.394 177.584 -0.048 0.000 1.158 138 A CA 1.383 53.392 52.037 -0.046 0.000 0.661 138 A CB -0.755 18.226 19.000 -0.033 0.000 0.801 138 A HN 0.353 nan 8.150 nan 0.000 0.452 139 V N 1.574 121.461 119.914 -0.045 0.000 2.323 139 V HA -0.212 3.908 4.120 0.000 0.000 0.244 139 V C 2.153 178.210 176.094 -0.061 0.000 1.041 139 V CA 2.111 64.385 62.300 -0.044 0.000 1.025 139 V CB -0.957 30.847 31.823 -0.031 0.000 0.656 139 V HN 0.894 nan 8.190 nan 0.000 0.451 140 N N 0.501 119.155 118.700 -0.077 0.000 2.373 140 N HA 0.155 4.895 4.740 0.000 0.000 0.181 140 N C 1.435 176.867 175.510 -0.129 0.000 1.082 140 N CA 0.886 53.871 53.050 -0.107 0.000 0.885 140 N CB -0.031 38.382 38.487 -0.122 0.000 0.977 140 N HN 0.411 nan 8.380 nan 0.000 0.462 141 G N 0.253 108.982 108.800 -0.118 0.000 2.187 141 G HA2 -0.319 3.641 3.960 0.000 0.000 0.261 141 G HA3 -0.319 3.641 3.960 0.000 0.000 0.261 141 G C -0.033 174.769 174.900 -0.163 0.000 1.000 141 G CA 0.473 45.499 45.100 -0.123 0.000 0.718 141 G HN 0.453 nan 8.290 nan 0.000 0.519 142 I N 0.457 120.895 120.570 -0.221 0.000 2.692 142 I HA 0.041 4.212 4.170 0.000 0.000 0.284 142 I C 0.960 176.944 176.117 -0.222 0.000 1.159 142 I CA -0.554 60.568 61.300 -0.297 0.000 1.423 142 I CB 0.502 38.145 38.000 -0.595 0.000 1.380 142 I HN 0.100 nan 8.210 nan 0.000 0.580 143 N N 4.610 123.212 118.700 -0.165 0.000 2.416 143 N HA 0.059 4.799 4.740 0.000 0.000 0.265 143 N C 0.673 176.164 175.510 -0.031 0.000 1.195 143 N CA 0.117 53.116 53.050 -0.085 0.000 0.943 143 N CB 1.408 39.863 38.487 -0.053 0.000 1.115 143 N HN 0.763 nan 8.380 nan 0.000 0.481 144 A N 3.062 125.866 122.820 -0.026 0.000 2.125 144 A HA -0.076 4.244 4.320 0.000 0.000 0.219 144 A C 1.857 179.477 177.584 0.060 0.000 1.156 144 A CA 1.173 53.219 52.037 0.016 0.000 0.671 144 A CB 0.027 19.023 19.000 -0.007 0.000 0.794 144 A HN 0.645 nan 8.150 nan 0.000 0.459 145 S N -0.819 114.919 115.700 0.063 0.000 2.540 145 S HA 0.186 4.656 4.470 0.000 0.000 0.218 145 S C 0.358 175.043 174.600 0.143 0.000 0.977 145 S CA 0.173 58.428 58.200 0.091 0.000 0.918 145 S CB 0.274 63.516 63.200 0.070 0.000 0.806 145 S HN 0.361 nan 8.310 nan 0.000 0.496 146 S N 1.464 117.255 115.700 0.153 0.000 2.359 146 S HA 0.443 4.913 4.470 0.000 0.000 0.148 146 S C -1.217 173.553 174.600 0.283 0.000 1.610 146 S CA -0.429 57.884 58.200 0.189 0.000 1.274 146 S CB 0.281 63.554 63.200 0.122 0.000 1.380 146 S HN 0.348 nan 8.310 nan 0.000 0.380 147 F N 3.766 123.766 119.950 0.084 0.000 3.228 147 F HA 0.471 4.998 4.527 0.000 0.000 0.390 147 F C -0.495 175.353 175.800 0.081 0.000 1.235 147 F CA -0.465 57.575 58.000 0.065 0.000 1.236 147 F CB 0.438 39.451 39.000 0.022 0.000 1.855 147 F HN 0.422 nan 8.300 nan 0.000 0.647 148 R N 1.931 122.410 120.500 -0.035 0.000 2.766 148 R HA 0.594 4.935 4.340 0.000 0.000 0.270 148 R C -1.567 174.734 176.300 0.002 0.000 1.035 148 R CA -0.862 55.214 56.100 -0.039 0.000 0.911 148 R CB 1.089 31.534 30.300 0.242 0.000 1.243 148 R HN 0.179 nan 8.270 nan 0.000 0.460 149 D N 0.028 120.461 120.400 0.055 0.000 2.872 149 D HA -0.071 4.569 4.640 0.000 0.000 0.248 149 D C -2.339 173.983 176.300 0.037 0.000 1.104 149 D CA 0.477 54.530 54.000 0.088 0.000 0.784 149 D CB -0.923 39.949 40.800 0.120 0.000 1.036 149 D HN 0.503 nan 8.370 nan 0.000 0.426 150 P HA 0.021 nan 4.420 nan 0.000 0.268 150 P C 0.705 178.045 177.300 0.066 0.000 1.205 150 P CA 0.136 63.197 63.100 -0.064 0.000 0.771 150 P CB 0.828 32.409 31.700 -0.198 0.000 0.858 151 T N -0.006 114.625 114.554 0.128 0.000 2.814 151 T HA 0.249 4.599 4.350 0.000 0.000 0.284 151 T C 0.423 175.290 174.700 0.278 0.000 0.998 151 T CA -0.414 61.832 62.100 0.244 0.000 0.935 151 T CB -0.237 68.850 68.868 0.366 0.000 1.167 151 T HN 0.254 nan 8.240 nan 0.000 0.545 152 T N 1.409 116.185 114.554 0.371 0.000 2.918 152 T HA 0.544 4.894 4.350 0.000 0.000 0.302 152 T C 0.420 175.455 174.700 0.558 0.000 1.045 152 T CA -0.162 62.186 62.100 0.414 0.000 1.114 152 T CB 0.344 69.468 68.868 0.427 0.000 0.965 152 T HN 0.939 nan 8.240 nan 0.000 0.540 153 A N 2.366 125.535 122.820 0.581 0.000 2.264 153 A HA 0.764 5.084 4.320 0.000 0.000 0.304 153 A C -0.849 177.294 177.584 0.932 0.000 1.100 153 A CA -0.902 51.532 52.037 0.661 0.000 0.839 153 A CB 0.502 19.956 19.000 0.756 0.000 1.121 153 A HN 0.956 nan 8.150 nan 0.000 0.496 154 W N 0.188 121.882 121.300 0.655 0.000 3.032 154 W HA 0.622 5.282 4.660 0.000 0.000 0.335 154 W C -1.651 174.921 176.519 0.088 0.000 1.154 154 W CA -1.175 56.391 57.345 0.367 0.000 1.204 154 W CB 0.790 30.402 29.460 0.253 0.000 1.416 154 W HN 0.525 nan 8.180 nan 0.000 0.521 155 L N 3.848 124.945 121.223 -0.210 0.000 2.305 155 L HA 0.754 5.094 4.340 0.000 0.000 0.281 155 L C 0.530 177.359 176.870 -0.067 0.000 1.085 155 L CA 0.157 54.651 54.840 -0.577 0.000 0.813 155 L CB 0.662 42.217 42.059 -0.839 0.000 1.157 155 L HN 0.780 nan 8.230 nan 0.000 0.436 156 G N 3.112 111.913 108.800 0.002 0.000 2.528 156 G HA2 0.286 4.246 3.960 0.000 0.000 0.289 156 G HA3 0.286 4.246 3.960 0.000 0.000 0.289 156 G C 0.371 175.477 174.900 0.343 0.000 1.192 156 G CA -0.090 45.175 45.100 0.274 0.000 0.921 156 G HN 0.724 nan 8.290 nan 0.000 0.512 157 Q N 0.331 120.371 119.800 0.399 0.000 2.181 157 Q HA -0.153 4.187 4.340 0.000 0.000 0.205 157 Q C 0.986 176.989 176.000 0.005 0.000 0.980 157 Q CA 1.901 57.726 55.803 0.036 0.000 0.862 157 Q CB -0.523 28.076 28.738 -0.232 0.000 0.905 157 Q HN 0.629 nan 8.270 nan 0.000 0.429 158 D N 0.670 121.088 120.400 0.030 0.000 2.323 158 D HA 0.035 4.675 4.640 0.000 0.000 0.239 158 D C -0.134 176.165 176.300 -0.001 0.000 1.129 158 D CA 0.062 54.066 54.000 0.005 0.000 0.865 158 D CB -0.143 40.663 40.800 0.011 0.000 0.913 158 D HN 0.343 nan 8.370 nan 0.000 0.517 159 K N -0.932 119.465 120.400 -0.006 0.000 3.274 159 K HA -0.212 4.108 4.320 0.000 0.000 0.300 159 K C -0.488 176.062 176.600 -0.083 0.000 1.230 159 K CA 0.768 57.027 56.287 -0.047 0.000 0.884 159 K CB -1.406 31.087 32.500 -0.011 0.000 1.242 159 K HN 0.344 nan 8.250 nan 0.000 0.467 160 K N 0.251 120.607 120.400 -0.073 0.000 2.206 160 K HA 0.279 4.599 4.320 0.000 0.000 0.264 160 K C -0.317 176.219 176.600 -0.107 0.000 0.967 160 K CA -0.741 55.513 56.287 -0.056 0.000 0.844 160 K CB 0.786 33.278 32.500 -0.014 0.000 1.099 160 K HN 0.000 nan 8.250 nan 0.000 0.441 161 W N 1.703 122.955 121.300 -0.081 0.000 2.170 161 W HA 0.206 4.866 4.660 0.000 0.000 0.336 161 W C 0.504 176.957 176.519 -0.110 0.000 1.283 161 W CA -0.024 57.284 57.345 -0.061 0.000 1.224 161 W CB 0.521 29.959 29.460 -0.037 0.000 1.132 161 W HN 0.287 nan 8.180 nan 0.000 0.571 162 R N 1.057 121.530 120.500 -0.046 0.000 2.740 162 R HA 0.808 5.148 4.340 0.000 0.000 0.282 162 R C -1.473 174.493 176.300 -0.557 0.000 0.969 162 R CA -1.070 54.808 56.100 -0.369 0.000 0.918 162 R CB 2.091 31.832 30.300 -0.931 0.000 1.175 162 R HN 0.314 nan 8.270 nan 0.000 0.464 163 V N 3.968 123.685 119.914 -0.328 0.000 3.077 163 V HA 0.635 4.755 4.120 0.000 0.000 0.299 163 V C -1.474 174.591 176.094 -0.049 0.000 1.276 163 V CA -0.698 61.445 62.300 -0.263 0.000 0.993 163 V CB 2.074 33.682 31.823 -0.359 0.000 1.076 163 V HN 0.737 nan 8.190 nan 0.000 0.434 164 I N 2.893 123.532 120.570 0.114 0.000 2.740 164 I HA 0.790 4.960 4.170 0.000 0.000 0.303 164 I C -1.323 174.865 176.117 0.119 0.000 1.044 164 I CA -0.934 60.478 61.300 0.187 0.000 1.064 164 I CB 2.173 40.341 38.000 0.280 0.000 1.249 164 I HN 0.451 nan 8.210 nan 0.000 0.433 165 I N 2.731 123.380 120.570 0.131 0.000 2.545 165 I HA 0.569 4.739 4.170 0.000 0.000 0.292 165 I C 0.640 176.856 176.117 0.165 0.000 1.040 165 I CA -0.226 61.085 61.300 0.019 0.000 1.068 165 I CB 2.016 39.836 38.000 -0.299 0.000 1.251 165 I HN 0.781 nan 8.210 nan 0.000 0.424 166 G N 2.520 111.415 108.800 0.160 0.000 2.406 166 G HA2 0.503 4.463 3.960 0.000 0.000 0.251 166 G HA3 0.503 4.463 3.960 0.000 0.000 0.251 166 G C -0.285 174.780 174.900 0.275 0.000 1.271 166 G CA 0.145 45.407 45.100 0.270 0.000 0.859 166 G HN 0.617 nan 8.290 nan 0.000 0.540 167 S N 0.657 116.515 115.700 0.264 0.000 2.800 167 S HA 0.832 5.302 4.470 0.000 0.000 0.293 167 S C -1.207 173.425 174.600 0.054 0.000 1.209 167 S CA -0.369 57.955 58.200 0.208 0.000 0.884 167 S CB 1.430 64.790 63.200 0.266 0.000 1.244 167 S HN 1.264 nan 8.310 nan 0.000 0.540 168 K N 0.159 120.554 120.400 -0.008 0.000 2.703 168 K HA 0.534 4.854 4.320 0.000 0.000 0.285 168 K C -2.174 174.354 176.600 -0.121 0.000 1.014 168 K CA -0.869 55.359 56.287 -0.099 0.000 0.858 168 K CB 0.446 32.913 32.500 -0.056 0.000 1.467 168 K HN 0.396 nan 8.250 nan 0.000 0.383 169 I N 3.872 124.345 120.570 -0.161 0.000 2.476 169 I HA 0.322 4.492 4.170 0.000 0.000 0.281 169 I C 0.368 176.375 176.117 -0.183 0.000 1.040 169 I CA 0.297 61.438 61.300 -0.264 0.000 1.094 169 I CB 0.107 37.954 38.000 -0.256 0.000 1.219 169 I HN 0.870 nan 8.210 nan 0.000 0.450 170 H N 4.682 123.729 119.070 -0.039 0.000 1.452 170 H HA -0.220 4.336 4.556 0.000 0.000 0.090 170 H C 0.939 176.253 175.328 -0.023 0.000 0.623 170 H CA 1.040 57.072 56.048 -0.027 0.000 1.901 170 H CB -0.590 29.154 29.762 -0.031 0.000 2.257 170 H HN 0.508 nan 8.280 nan 0.000 0.961 171 R N 2.261 122.847 120.500 0.144 0.000 2.362 171 R HA 0.159 4.499 4.340 0.000 0.000 0.227 171 R C 0.830 177.140 176.300 0.017 0.000 0.905 171 R CA 0.038 56.176 56.100 0.063 0.000 1.067 171 R CB 0.156 30.488 30.300 0.053 0.000 1.078 171 R HN 0.303 nan 8.270 nan 0.000 0.516 172 R N 0.884 121.375 120.500 -0.014 0.000 2.202 172 R HA 0.261 4.601 4.340 0.000 0.000 0.334 172 R C -0.083 176.058 176.300 -0.265 0.000 1.036 172 R CA -0.083 55.962 56.100 -0.092 0.000 0.878 172 R CB 0.779 31.037 30.300 -0.070 0.000 1.067 172 R HN 0.015 nan 8.270 nan 0.000 0.457 173 G N 4.494 113.009 108.800 -0.475 0.000 2.442 173 G HA2 0.371 4.331 3.960 0.000 0.000 0.249 173 G HA3 0.371 4.331 3.960 0.000 0.000 0.249 173 G C -0.677 173.341 174.900 -1.471 0.000 1.263 173 G CA -0.455 43.931 45.100 -1.189 0.000 0.846 173 G HN 0.516 nan 8.290 nan 0.000 0.555 174 L N 0.762 121.347 121.223 -1.062 0.000 2.409 174 L HA 0.646 4.986 4.340 0.000 0.000 0.262 174 L C 0.077 176.924 176.870 -0.038 0.000 0.992 174 L CA -1.158 53.358 54.840 -0.541 0.000 0.817 174 L CB 2.613 44.544 42.059 -0.215 0.000 1.350 174 L HN 0.590 nan 8.230 nan 0.000 0.411 175 A N 3.737 126.667 122.820 0.182 0.000 2.644 175 A HA 0.582 4.902 4.320 0.000 0.000 0.343 175 A C -0.270 177.461 177.584 0.246 0.000 1.324 175 A CA -0.361 51.901 52.037 0.375 0.000 0.846 175 A CB -0.256 19.032 19.000 0.480 0.000 1.128 175 A HN 0.626 nan 8.150 nan 0.000 0.484 176 I N 2.399 123.114 120.570 0.242 0.000 2.517 176 I HA 0.065 4.235 4.170 0.000 0.000 0.285 176 I C 0.356 176.634 176.117 0.269 0.000 1.106 176 I CA 0.564 62.005 61.300 0.236 0.000 1.402 176 I CB 0.884 39.091 38.000 0.346 0.000 1.399 176 I HN 0.436 nan 8.210 nan 0.000 0.535 177 T N 5.825 120.487 114.554 0.180 0.000 2.875 177 T HA 0.475 4.825 4.350 0.000 0.000 0.284 177 T C -0.731 174.053 174.700 0.140 0.000 0.995 177 T CA -0.278 61.931 62.100 0.182 0.000 1.060 177 T CB 0.850 69.808 68.868 0.151 0.000 0.967 177 T HN 0.199 nan 8.240 nan 0.000 0.476 178 Y N 1.008 121.367 120.300 0.097 0.000 2.536 178 Y HA 0.588 5.138 4.550 0.000 0.000 0.347 178 Y C 0.685 176.787 175.900 0.336 0.000 1.000 178 Y CA -0.794 57.425 58.100 0.199 0.000 1.051 178 Y CB 2.315 40.872 38.460 0.162 0.000 1.259 178 Y HN 0.771 nan 8.280 nan 0.000 0.468 179 T N -1.350 113.487 114.554 0.471 0.000 2.906 179 T HA 0.816 5.166 4.350 0.000 0.000 0.295 179 T C -0.822 173.831 174.700 -0.079 0.000 1.075 179 T CA -0.909 61.323 62.100 0.220 0.000 1.005 179 T CB 1.871 70.792 68.868 0.088 0.000 1.136 179 T HN 0.594 nan 8.240 nan 0.000 0.498 180 S N -0.414 115.029 115.700 -0.428 0.000 2.543 180 S HA 0.410 4.880 4.470 0.000 0.000 0.274 180 S C -0.162 174.266 174.600 -0.286 0.000 1.149 180 S CA -0.832 56.973 58.200 -0.658 0.000 0.866 180 S CB 1.642 63.754 63.200 -1.813 0.000 1.111 180 S HN 0.829 nan 8.310 nan 0.000 0.457 181 K N 0.906 121.205 120.400 -0.169 0.000 2.323 181 K HA 0.113 4.434 4.320 0.000 0.000 0.197 181 K C 0.216 176.855 176.600 0.065 0.000 1.043 181 K CA 0.903 57.191 56.287 0.002 0.000 0.997 181 K CB 0.098 32.590 32.500 -0.014 0.000 0.807 181 K HN 0.691 nan 8.250 nan 0.000 0.497 182 D N -1.262 119.105 120.400 -0.055 0.000 2.469 182 D HA 0.001 4.641 4.640 0.000 0.000 0.213 182 D C 0.345 176.640 176.300 -0.009 0.000 1.135 182 D CA -0.630 53.367 54.000 -0.006 0.000 0.834 182 D CB -0.200 40.584 40.800 -0.026 0.000 1.009 182 D HN 0.060 nan 8.370 nan 0.000 0.507 183 F N -0.052 119.637 119.950 -0.435 0.000 2.840 183 F HA -0.295 4.232 4.527 0.000 0.000 0.310 183 F C 0.198 175.918 175.800 -0.132 0.000 0.688 183 F CA 0.640 58.367 58.000 -0.455 0.000 1.286 183 F CB -1.207 37.565 39.000 -0.380 0.000 1.612 183 F HN 0.116 nan 8.300 nan 0.000 0.335 184 L N -1.244 119.884 121.223 -0.158 0.000 2.586 184 L HA 0.162 4.502 4.340 0.000 0.000 0.204 184 L C 0.597 177.463 176.870 -0.006 0.000 1.053 184 L CA 0.119 54.970 54.840 0.017 0.000 0.856 184 L CB 0.058 42.123 42.059 0.009 0.000 1.192 184 L HN -0.191 nan 8.230 nan 0.000 0.484 185 K N 0.682 120.987 120.400 -0.159 0.000 2.263 185 K HA 0.196 4.516 4.320 0.000 0.000 0.282 185 K C -1.607 174.882 176.600 -0.186 0.000 1.089 185 K CA -0.037 56.202 56.287 -0.081 0.000 0.907 185 K CB 0.433 32.889 32.500 -0.073 0.000 1.148 185 K HN -0.048 nan 8.250 nan 0.000 0.470 186 W N 1.998 123.295 121.300 -0.005 0.000 2.529 186 W HA 0.261 4.921 4.660 0.000 0.000 0.321 186 W C 0.029 176.669 176.519 0.201 0.000 1.047 186 W CA -0.603 56.785 57.345 0.071 0.000 1.216 186 W CB 1.240 30.703 29.460 0.006 0.000 1.357 186 W HN 0.459 nan 8.180 nan 0.000 0.489 187 E N 3.871 124.288 120.200 0.362 0.000 2.151 187 E HA 0.182 4.532 4.350 0.000 0.000 0.275 187 E C -0.410 176.169 176.600 -0.034 0.000 0.936 187 E CA -0.770 55.730 56.400 0.166 0.000 0.777 187 E CB 0.958 30.691 29.700 0.056 0.000 1.108 187 E HN 0.380 nan 8.360 nan 0.000 0.401 188 K N 2.593 122.777 120.400 -0.360 0.000 2.401 188 K HA 0.102 4.422 4.320 0.000 0.000 0.278 188 K C -0.651 175.730 176.600 -0.365 0.000 1.018 188 K CA -0.090 55.674 56.287 -0.873 0.000 0.981 188 K CB 0.720 32.762 32.500 -0.764 0.000 0.933 188 K HN 0.377 nan 8.250 nan 0.000 0.477 189 S N 4.973 120.498 115.700 -0.292 0.000 2.601 189 S HA 0.140 4.611 4.470 0.000 0.000 0.271 189 S C -1.773 172.763 174.600 -0.105 0.000 1.305 189 S CA -1.372 56.759 58.200 -0.115 0.000 1.022 189 S CB 1.411 64.595 63.200 -0.026 0.000 0.940 189 S HN 0.591 nan 8.310 nan 0.000 0.525 190 P HA -0.018 nan 4.420 nan 0.000 0.217 190 P C -0.019 177.253 177.300 -0.047 0.000 1.150 190 P CA 1.111 64.177 63.100 -0.056 0.000 0.832 190 P CB 0.241 31.921 31.700 -0.033 0.000 0.787 191 E N -0.755 119.438 120.200 -0.011 0.000 2.207 191 E HA 0.377 4.727 4.350 0.000 0.000 0.270 191 E C -2.460 174.169 176.600 0.049 0.000 0.927 191 E CA -2.436 53.971 56.400 0.011 0.000 0.799 191 E CB 0.748 30.480 29.700 0.053 0.000 1.172 191 E HN 0.015 nan 8.360 nan 0.000 0.404 192 P HA 0.097 nan 4.420 nan 0.000 0.276 192 P C 0.751 178.174 177.300 0.206 0.000 1.252 192 P CA -0.538 62.635 63.100 0.122 0.000 0.802 192 P CB 0.704 32.466 31.700 0.104 0.000 1.035 193 L N 0.220 121.573 121.223 0.218 0.000 2.201 193 L HA 0.001 4.341 4.340 0.000 0.000 0.212 193 L C 0.670 177.752 176.870 0.353 0.000 1.105 193 L CA 1.854 56.819 54.840 0.208 0.000 0.775 193 L CB -0.708 41.383 42.059 0.052 0.000 0.913 193 L HN 0.456 nan 8.230 nan 0.000 0.440 194 H N -3.115 116.123 119.070 0.279 0.000 2.935 194 H HA 0.335 4.891 4.556 0.000 0.000 0.297 194 H C -1.748 173.809 175.328 0.380 0.000 1.423 194 H CA -0.266 55.997 56.048 0.359 0.000 1.161 194 H CB 1.118 31.130 29.762 0.417 0.000 1.841 194 H HN -0.071 nan 8.280 nan 0.000 0.506 195 Y N 0.116 120.157 120.300 -0.431 0.000 2.788 195 Y HA 0.515 5.065 4.550 0.000 0.000 0.335 195 Y C -2.228 173.394 175.900 -0.464 0.000 1.287 195 Y CA -0.896 56.843 58.100 -0.601 0.000 1.068 195 Y CB 1.632 39.856 38.460 -0.393 0.000 1.340 195 Y HN 0.541 nan 8.280 nan 0.000 0.449 196 D N 0.945 121.187 120.400 -0.262 0.000 2.726 196 D HA 0.112 4.753 4.640 0.000 0.000 0.203 196 D C -1.944 174.369 176.300 0.021 0.000 1.297 196 D CA -0.362 53.593 54.000 -0.075 0.000 0.863 196 D CB 2.100 43.014 40.800 0.191 0.000 1.669 196 D HN 0.730 nan 8.370 nan 0.000 0.561 197 D N 1.599 122.044 120.400 0.074 0.000 2.348 197 D HA 0.419 5.059 4.640 0.000 0.000 0.253 197 D C 1.360 177.692 176.300 0.053 0.000 1.161 197 D CA 1.072 55.112 54.000 0.066 0.000 0.876 197 D CB 1.546 42.396 40.800 0.083 0.000 1.160 197 D HN 0.776 nan 8.370 nan 0.000 0.459 198 G N 1.997 110.824 108.800 0.045 0.000 2.234 198 G HA2 -0.370 3.590 3.960 0.000 0.000 0.235 198 G HA3 -0.370 3.590 3.960 0.000 0.000 0.235 198 G C 1.270 176.210 174.900 0.066 0.000 0.997 198 G CA 0.621 45.751 45.100 0.049 0.000 0.623 198 G HN 0.539 nan 8.290 nan 0.000 0.514 199 S N 0.411 116.169 115.700 0.097 0.000 2.406 199 S HA 0.427 4.898 4.470 0.000 0.000 0.228 199 S C 2.061 176.758 174.600 0.162 0.000 1.020 199 S CA 1.562 59.857 58.200 0.159 0.000 0.965 199 S CB -0.052 63.363 63.200 0.358 0.000 0.798 199 S HN 2.630 nan 8.310 nan 0.000 0.488 200 G N 1.103 109.969 108.800 0.109 0.000 2.627 200 G HA2 -0.110 3.850 3.960 0.000 0.000 0.214 200 G HA3 -0.110 3.850 3.960 0.000 0.000 0.214 200 G C -0.406 174.575 174.900 0.136 0.000 1.331 200 G CA -0.337 44.825 45.100 0.103 0.000 0.891 200 G HN 0.788 nan 8.290 nan 0.000 0.539 201 M N -0.292 119.399 119.600 0.153 0.000 2.248 201 M HA 0.461 4.941 4.480 0.000 0.000 0.343 201 M C -0.577 175.968 176.300 0.409 0.000 1.243 201 M CA -0.426 54.995 55.300 0.201 0.000 1.025 201 M CB -0.156 32.551 32.600 0.179 0.000 1.759 201 M HN 0.493 nan 8.290 nan 0.000 0.452 202 W N 5.891 127.258 121.300 0.113 0.000 2.291 202 W HA 0.450 5.111 4.660 0.000 0.000 0.312 202 W C -0.172 176.422 176.519 0.124 0.000 1.061 202 W CA -0.686 56.729 57.345 0.116 0.000 1.296 202 W CB 0.214 29.738 29.460 0.106 0.000 1.223 202 W HN 0.662 nan 8.180 nan 0.000 0.421 203 E N 0.963 121.342 120.200 0.298 0.000 2.243 203 E HA 0.324 4.674 4.350 0.000 0.000 0.260 203 E C 0.055 176.720 176.600 0.108 0.000 0.985 203 E CA -0.772 55.749 56.400 0.203 0.000 0.858 203 E CB 1.480 31.300 29.700 0.201 0.000 1.210 203 E HN 0.301 nan 8.360 nan 0.000 0.411 204 C N 1.366 120.720 119.300 0.089 0.000 3.267 204 C HA -0.107 4.353 4.460 0.000 0.000 0.260 204 C C -2.100 172.941 174.990 0.085 0.000 1.396 204 C CA -0.848 58.208 59.018 0.063 0.000 2.176 204 C CB -2.879 24.849 27.740 -0.019 0.000 1.417 204 C HN 0.487 nan 8.230 nan 0.000 0.517 205 P HA 0.402 nan 4.420 nan 0.000 0.271 205 P C 0.023 177.429 177.300 0.176 0.000 1.233 205 P CA 0.649 63.825 63.100 0.126 0.000 0.789 205 P CB 0.553 32.362 31.700 0.181 0.000 0.951 206 D N 0.089 120.600 120.400 0.185 0.000 2.886 206 D HA 0.483 5.123 4.640 0.000 0.000 0.216 206 D C -2.147 174.301 176.300 0.246 0.000 1.256 206 D CA -0.300 53.880 54.000 0.300 0.000 0.844 206 D CB 0.859 41.904 40.800 0.408 0.000 1.669 206 D HN 0.061 nan 8.370 nan 0.000 0.513 207 F N 5.019 124.992 119.950 0.039 0.000 2.617 207 F HA 0.643 5.171 4.527 0.000 0.000 0.325 207 F C -1.879 173.794 175.800 -0.211 0.000 1.179 207 F CA -0.790 57.015 58.000 -0.324 0.000 0.965 207 F CB 0.685 39.379 39.000 -0.511 0.000 1.232 207 F HN 0.252 nan 8.300 nan 0.000 0.461 208 F N 4.192 123.778 119.950 -0.606 0.000 2.668 208 F HA 0.908 5.435 4.527 0.000 0.000 0.309 208 F C -3.342 172.097 175.800 -0.602 0.000 1.117 208 F CA -2.915 54.774 58.000 -0.519 0.000 0.951 208 F CB 1.155 40.025 39.000 -0.216 0.000 1.323 208 F HN 0.109 nan 8.300 nan 0.000 0.451 209 P HA 0.550 nan 4.420 nan 0.000 0.284 209 P C -1.240 175.930 177.300 -0.217 0.000 1.258 209 P CA -0.635 62.089 63.100 -0.626 0.000 0.824 209 P CB 1.787 33.149 31.700 -0.563 0.000 1.038 210 V N -1.848 117.918 119.914 -0.247 0.000 2.888 210 V HA 0.575 4.695 4.120 0.000 0.000 0.309 210 V C -0.248 175.789 176.094 -0.096 0.000 1.114 210 V CA -0.660 61.599 62.300 -0.069 0.000 0.940 210 V CB 1.456 33.281 31.823 0.003 0.000 1.021 210 V HN 0.461 nan 8.190 nan 0.000 0.426 211 T N 2.022 116.555 114.554 -0.035 0.000 2.919 211 T HA 0.258 4.608 4.350 0.000 0.000 0.302 211 T C 1.079 175.730 174.700 -0.082 0.000 1.031 211 T CA 0.242 62.319 62.100 -0.039 0.000 1.127 211 T CB 0.917 69.792 68.868 0.011 0.000 0.952 211 T HN 0.942 nan 8.240 nan 0.000 0.540 212 R N 3.314 123.709 120.500 -0.174 0.000 2.083 212 R HA 0.046 4.386 4.340 0.000 0.000 0.237 212 R C -0.302 175.590 176.300 -0.680 0.000 1.137 212 R CA 1.664 57.479 56.100 -0.474 0.000 0.951 212 R CB -0.305 29.627 30.300 -0.613 0.000 0.851 212 R HN 0.654 nan 8.270 nan 0.000 0.434 213 F N -0.623 119.358 119.950 0.051 0.000 2.553 213 F HA 0.595 5.122 4.527 0.000 0.000 0.335 213 F C 0.319 176.132 175.800 0.022 0.000 1.148 213 F CA -0.011 58.018 58.000 0.048 0.000 0.963 213 F CB 2.381 41.401 39.000 0.033 0.000 1.217 213 F HN 0.268 nan 8.300 nan 0.000 0.441 214 G N 0.830 109.725 108.800 0.158 0.000 2.326 214 G HA2 0.221 4.181 3.960 0.000 0.000 0.413 214 G HA3 0.221 4.181 3.960 0.000 0.000 0.413 214 G C -0.087 174.751 174.900 -0.103 0.000 1.444 214 G CA -0.331 44.778 45.100 0.014 0.000 1.002 214 G HN 0.782 nan 8.290 nan 0.000 0.649 215 S N -0.870 114.615 115.700 -0.358 0.000 2.540 215 S HA 0.213 4.683 4.470 0.000 0.000 0.218 215 S C 0.578 175.000 174.600 -0.297 0.000 0.977 215 S CA 0.218 57.980 58.200 -0.730 0.000 0.918 215 S CB -0.068 62.205 63.200 -1.546 0.000 0.806 215 S HN 0.653 nan 8.310 nan 0.000 0.496 216 N N 1.425 120.037 118.700 -0.147 0.000 2.479 216 N HA 0.404 5.144 4.740 0.000 0.000 0.257 216 N C 0.482 176.025 175.510 0.056 0.000 1.232 216 N CA 0.169 53.194 53.050 -0.042 0.000 0.920 216 N CB 0.427 38.910 38.487 -0.007 0.000 1.105 216 N HN 0.464 nan 8.380 nan 0.000 0.444 217 G N 0.065 108.939 108.800 0.123 0.000 2.562 217 G HA2 0.447 4.407 3.960 0.000 0.000 0.275 217 G HA3 0.447 4.407 3.960 0.000 0.000 0.275 217 G C -0.737 174.323 174.900 0.267 0.000 1.196 217 G CA -0.376 44.858 45.100 0.223 0.000 0.908 217 G HN 0.348 nan 8.290 nan 0.000 0.524 218 V N 0.545 120.513 119.914 0.091 0.000 2.638 218 V HA 0.261 4.381 4.120 0.000 0.000 0.306 218 V C 0.007 175.686 176.094 -0.691 0.000 1.052 218 V CA -1.011 61.158 62.300 -0.218 0.000 0.885 218 V CB 1.751 33.486 31.823 -0.147 0.000 0.999 218 V HN 0.807 nan 8.190 nan 0.000 0.424 219 E N 2.095 121.594 120.200 -1.167 0.000 2.529 219 E HA -0.034 4.316 4.350 0.000 0.000 0.259 219 E C 1.149 177.478 176.600 -0.452 0.000 0.966 219 E CA 0.493 56.196 56.400 -1.162 0.000 0.937 219 E CB 1.276 30.578 29.700 -0.662 0.000 0.923 219 E HN 0.816 nan 8.360 nan 0.000 0.468 220 T N 2.737 117.156 114.554 -0.224 0.000 2.760 220 T HA -0.143 4.207 4.350 0.000 0.000 0.269 220 T C 1.510 176.189 174.700 -0.034 0.000 1.047 220 T CA 1.719 63.798 62.100 -0.035 0.000 1.139 220 T CB 0.057 69.031 68.868 0.177 0.000 0.855 220 T HN 0.272 nan 8.240 nan 0.000 0.471 221 S N 0.703 116.387 115.700 -0.026 0.000 2.548 221 S HA 0.185 4.656 4.470 0.000 0.000 0.215 221 S C 0.910 175.310 174.600 -0.334 0.000 0.976 221 S CA -0.301 57.844 58.200 -0.092 0.000 0.908 221 S CB 0.071 63.248 63.200 -0.038 0.000 0.781 221 S HN 0.377 nan 8.310 nan 0.000 0.519 222 S N 2.300 117.858 115.700 -0.236 0.000 2.573 222 S HA 0.121 4.591 4.470 0.000 0.000 0.297 222 S C -0.193 174.282 174.600 -0.209 0.000 1.280 222 S CA 0.333 58.423 58.200 -0.183 0.000 1.061 222 S CB -0.060 63.058 63.200 -0.138 0.000 0.812 222 S HN 0.231 nan 8.310 nan 0.000 0.500 223 F N 0.909 120.895 119.950 0.059 0.000 2.403 223 F HA 0.539 5.066 4.527 0.000 0.000 0.326 223 F C 1.262 177.100 175.800 0.063 0.000 1.081 223 F CA -0.632 57.417 58.000 0.082 0.000 1.041 223 F CB 0.613 39.647 39.000 0.057 0.000 1.234 223 F HN 0.607 nan 8.300 nan 0.000 0.503 224 G N 0.967 109.948 108.800 0.301 0.000 2.442 224 G HA2 0.390 4.350 3.960 0.000 0.000 0.249 224 G HA3 0.390 4.350 3.960 0.000 0.000 0.249 224 G C -1.062 173.922 174.900 0.140 0.000 1.263 224 G CA -0.175 45.031 45.100 0.177 0.000 0.846 224 G HN 0.571 nan 8.290 nan 0.000 0.555 225 E N 1.520 121.779 120.200 0.099 0.000 2.207 225 E HA 0.407 4.757 4.350 0.000 0.000 0.270 225 E C -1.615 175.023 176.600 0.063 0.000 0.927 225 E CA -1.954 54.491 56.400 0.076 0.000 0.799 225 E CB 2.455 32.196 29.700 0.069 0.000 1.172 225 E HN 0.138 nan 8.360 nan 0.000 0.404 226 P HA -0.162 nan 4.420 nan 0.000 0.218 226 P C 0.253 177.584 177.300 0.051 0.000 1.146 226 P CA 1.220 64.347 63.100 0.045 0.000 0.813 226 P CB 0.199 31.918 31.700 0.032 0.000 0.778 227 N N -1.582 117.150 118.700 0.053 0.000 2.184 227 N HA 0.006 4.746 4.740 0.000 0.000 0.206 227 N C -0.162 175.392 175.510 0.072 0.000 1.151 227 N CA 0.261 53.345 53.050 0.057 0.000 0.878 227 N CB 0.188 38.702 38.487 0.045 0.000 1.014 227 N HN 0.132 nan 8.380 nan 0.000 0.512 228 E N 1.383 121.626 120.200 0.072 0.000 2.331 228 E HA 0.371 4.721 4.350 0.000 0.000 0.243 228 E C -0.704 175.938 176.600 0.069 0.000 0.925 228 E CA -0.399 56.046 56.400 0.075 0.000 0.760 228 E CB 1.657 31.395 29.700 0.063 0.000 1.254 228 E HN 0.197 nan 8.360 nan 0.000 0.419 229 I N 3.880 124.493 120.570 0.072 0.000 2.416 229 I HA 0.185 4.355 4.170 0.000 0.000 0.288 229 I C -0.156 175.959 176.117 -0.004 0.000 1.051 229 I CA -0.182 61.144 61.300 0.044 0.000 1.375 229 I CB 0.395 38.420 38.000 0.042 0.000 1.407 229 I HN 0.330 nan 8.210 nan 0.000 0.516 230 L N 7.088 128.311 121.223 -0.000 0.000 2.346 230 L HA 0.522 4.862 4.340 0.000 0.000 0.276 230 L C -0.155 176.672 176.870 -0.071 0.000 1.006 230 L CA -0.991 53.807 54.840 -0.070 0.000 0.817 230 L CB 1.599 43.601 42.059 -0.095 0.000 1.272 230 L HN 0.485 nan 8.230 nan 0.000 0.421 231 K N 0.885 121.196 120.400 -0.147 0.000 2.168 231 K HA 0.582 4.902 4.320 0.000 0.000 0.239 231 K C -1.044 175.393 176.600 -0.272 0.000 0.999 231 K CA -0.906 55.327 56.287 -0.091 0.000 0.900 231 K CB 1.649 34.096 32.500 -0.088 0.000 1.111 231 K HN 0.445 nan 8.250 nan 0.000 0.452 232 H N -1.013 118.000 119.070 -0.096 0.000 2.600 232 H HA 0.398 4.954 4.556 0.000 0.000 0.357 232 H C -0.943 174.220 175.328 -0.274 0.000 1.106 232 H CA -0.623 55.257 56.048 -0.280 0.000 1.193 232 H CB 1.685 31.282 29.762 -0.275 0.000 1.594 232 H HN 0.051 nan 8.280 nan 0.000 0.526 233 V N 3.963 123.504 119.914 -0.622 0.000 2.398 233 V HA 0.198 4.318 4.120 0.000 0.000 0.286 233 V C -0.683 174.948 176.094 -0.772 0.000 1.026 233 V CA -0.725 61.152 62.300 -0.706 0.000 0.868 233 V CB 1.398 32.566 31.823 -1.091 0.000 0.982 233 V HN 0.447 nan 8.190 nan 0.000 0.443 234 L N 6.282 127.119 121.223 -0.643 0.000 2.305 234 L HA 0.636 4.976 4.340 0.000 0.000 0.284 234 L C -0.406 176.268 176.870 -0.327 0.000 1.013 234 L CA 0.048 54.541 54.840 -0.579 0.000 0.819 234 L CB 1.063 42.461 42.059 -1.102 0.000 1.227 234 L HN 0.577 nan 8.230 nan 0.000 0.417 235 K N 5.947 126.240 120.400 -0.179 0.000 2.324 235 K HA 0.639 4.959 4.320 0.000 0.000 0.253 235 K C -1.472 175.060 176.600 -0.114 0.000 0.932 235 K CA -0.577 55.655 56.287 -0.092 0.000 0.799 235 K CB 1.619 34.173 32.500 0.090 0.000 1.154 235 K HN 0.687 nan 8.250 nan 0.000 0.425 236 I N -0.978 119.483 120.570 -0.183 0.000 2.865 236 I HA 0.425 4.595 4.170 0.000 0.000 0.302 236 I C -0.724 175.349 176.117 -0.075 0.000 1.140 236 I CA -0.529 60.645 61.300 -0.209 0.000 1.021 236 I CB 2.248 39.866 38.000 -0.637 0.000 1.233 236 I HN 0.284 nan 8.210 nan 0.000 0.427 237 S N 4.782 120.454 115.700 -0.046 0.000 2.422 237 S HA 0.583 5.053 4.470 0.000 0.000 0.308 237 S C -0.238 174.489 174.600 0.211 0.000 1.097 237 S CA -0.527 57.651 58.200 -0.037 0.000 1.099 237 S CB 0.398 63.271 63.200 -0.545 0.000 0.976 237 S HN 0.496 nan 8.310 nan 0.000 0.471 238 L N 3.482 124.932 121.223 0.379 0.000 2.325 238 L HA 0.157 4.498 4.340 0.000 0.000 0.284 238 L C 1.422 178.509 176.870 0.362 0.000 1.089 238 L CA -0.401 54.644 54.840 0.342 0.000 0.836 238 L CB 0.515 42.739 42.059 0.275 0.000 1.184 238 L HN 0.630 nan 8.230 nan 0.000 0.444 239 D N 1.686 122.275 120.400 0.315 0.000 2.149 239 D HA -0.209 4.431 4.640 0.000 0.000 0.198 239 D C 1.290 177.640 176.300 0.084 0.000 0.990 239 D CA 1.385 55.516 54.000 0.217 0.000 0.839 239 D CB 0.388 41.305 40.800 0.194 0.000 0.948 239 D HN 0.528 nan 8.370 nan 0.000 0.460 240 D N -1.253 119.206 120.400 0.098 0.000 2.219 240 D HA -0.078 4.562 4.640 0.000 0.000 0.205 240 D C 1.895 178.192 176.300 -0.004 0.000 0.970 240 D CA 1.606 55.633 54.000 0.046 0.000 0.851 240 D CB -0.102 40.739 40.800 0.067 0.000 0.943 240 D HN 0.433 nan 8.370 nan 0.000 0.488 241 T N -3.545 111.003 114.554 -0.008 0.000 2.975 241 T HA 0.183 4.533 4.350 0.000 0.000 0.257 241 T C 0.735 175.139 174.700 -0.493 0.000 1.003 241 T CA -0.258 61.756 62.100 -0.144 0.000 0.932 241 T CB 0.660 69.555 68.868 0.045 0.000 1.087 241 T HN -0.265 nan 8.240 nan 0.000 0.512 242 K N 1.040 121.249 120.400 -0.320 0.000 3.192 242 K HA -0.134 4.186 4.320 0.000 0.000 0.278 242 K C -0.727 175.689 176.600 -0.307 0.000 1.164 242 K CA 0.628 56.577 56.287 -0.563 0.000 0.816 242 K CB -2.615 29.541 32.500 -0.573 0.000 1.256 242 K HN 0.887 nan 8.250 nan 0.000 0.497 243 H N -1.352 117.876 119.070 0.264 0.000 2.797 243 H HA 0.486 5.042 4.556 0.000 0.000 0.372 243 H C -0.768 174.607 175.328 0.078 0.000 1.168 243 H CA -1.406 54.688 56.048 0.076 0.000 1.163 243 H CB 1.723 31.327 29.762 -0.264 0.000 1.778 243 H HN -0.120 nan 8.280 nan 0.000 0.551 244 D N 1.088 121.467 120.400 -0.035 0.000 2.193 244 D HA 0.244 4.884 4.640 0.000 0.000 0.244 244 D C -0.985 175.089 176.300 -0.377 0.000 1.064 244 D CA -0.089 53.873 54.000 -0.063 0.000 0.845 244 D CB 0.989 41.863 40.800 0.123 0.000 1.148 244 D HN 0.285 nan 8.370 nan 0.000 0.464 245 Y N 0.896 121.112 120.300 -0.140 0.000 2.602 245 Y HA 0.573 5.123 4.550 0.000 0.000 0.342 245 Y C -0.388 175.367 175.900 -0.243 0.000 1.029 245 Y CA -1.268 56.703 58.100 -0.214 0.000 1.080 245 Y CB 1.426 39.789 38.460 -0.163 0.000 1.284 245 Y HN 0.358 nan 8.280 nan 0.000 0.485 246 Y N -1.842 118.369 120.300 -0.148 0.000 2.609 246 Y HA 0.840 5.390 4.550 0.000 0.000 0.336 246 Y C -1.159 174.686 175.900 -0.091 0.000 1.129 246 Y CA -1.343 56.621 58.100 -0.226 0.000 1.040 246 Y CB 1.574 39.804 38.460 -0.383 0.000 1.310 246 Y HN 0.601 nan 8.280 nan 0.000 0.460 247 T N 0.406 114.945 114.554 -0.025 0.000 2.909 247 T HA 0.748 5.098 4.350 0.000 0.000 0.299 247 T C -1.070 173.503 174.700 -0.211 0.000 1.073 247 T CA -0.700 61.297 62.100 -0.172 0.000 0.999 247 T CB 1.671 70.581 68.868 0.069 0.000 1.098 247 T HN 0.774 nan 8.240 nan 0.000 0.477 248 I N 1.603 121.691 120.570 -0.803 0.000 2.392 248 I HA 0.735 4.905 4.170 0.000 0.000 0.295 248 I C 0.885 176.827 176.117 -0.291 0.000 0.985 248 I CA -0.288 60.748 61.300 -0.440 0.000 1.221 248 I CB 1.548 39.254 38.000 -0.490 0.000 1.366 248 I HN 1.107 nan 8.210 nan 0.000 0.467 249 G N 3.179 111.973 108.800 -0.009 0.000 2.494 249 G HA2 0.546 4.506 3.960 0.000 0.000 0.308 249 G HA3 0.546 4.506 3.960 0.000 0.000 0.308 249 G C -1.063 173.819 174.900 -0.030 0.000 1.263 249 G CA -0.285 44.707 45.100 -0.180 0.000 0.840 249 G HN 0.543 nan 8.290 nan 0.000 0.479 250 T N -2.664 111.796 114.554 -0.156 0.000 2.940 250 T HA 0.636 4.986 4.350 0.000 0.000 0.288 250 T C -1.483 173.291 174.700 0.124 0.000 1.045 250 T CA -0.697 61.434 62.100 0.053 0.000 1.018 250 T CB 2.306 71.187 68.868 0.021 0.000 1.151 250 T HN 0.909 nan 8.240 nan 0.000 0.529 251 Y N 1.808 122.116 120.300 0.013 0.000 2.388 251 Y HA 0.426 4.976 4.550 0.000 0.000 0.328 251 Y C -0.750 175.172 175.900 0.036 0.000 0.963 251 Y CA -2.198 55.908 58.100 0.010 0.000 1.240 251 Y CB 0.824 39.099 38.460 -0.308 0.000 1.118 251 Y HN 0.840 nan 8.280 nan 0.000 0.484 252 D N 5.377 125.903 120.400 0.210 0.000 2.435 252 D HA 0.148 4.788 4.640 0.000 0.000 0.230 252 D C 0.746 176.987 176.300 -0.099 0.000 1.215 252 D CA 0.079 54.098 54.000 0.032 0.000 0.947 252 D CB 0.500 41.347 40.800 0.078 0.000 1.048 252 D HN 0.708 nan 8.370 nan 0.000 0.512 253 R N 2.099 122.401 120.500 -0.331 0.000 2.237 253 R HA -0.036 4.304 4.340 0.000 0.000 0.219 253 R C 1.812 178.062 176.300 -0.084 0.000 1.080 253 R CA 0.469 56.355 56.100 -0.356 0.000 0.995 253 R CB 0.182 30.291 30.300 -0.319 0.000 0.875 253 R HN 0.318 nan 8.270 nan 0.000 0.462 254 V N 1.103 120.992 119.914 -0.042 0.000 2.283 254 V HA -0.208 3.912 4.120 0.000 0.000 0.243 254 V C 1.800 177.914 176.094 0.033 0.000 1.039 254 V CA 1.676 63.976 62.300 -0.000 0.000 1.016 254 V CB -0.220 31.604 31.823 0.002 0.000 0.650 254 V HN 0.239 nan 8.190 nan 0.000 0.449 255 K N -0.728 119.704 120.400 0.054 0.000 2.444 255 K HA 0.041 4.361 4.320 0.000 0.000 0.193 255 K C 0.250 176.928 176.600 0.131 0.000 1.024 255 K CA 0.324 56.660 56.287 0.083 0.000 1.077 255 K CB 0.063 32.615 32.500 0.087 0.000 0.833 255 K HN 0.336 nan 8.250 nan 0.000 0.517 256 D N 1.848 122.342 120.400 0.156 0.000 2.705 256 D HA -0.151 4.489 4.640 0.000 0.000 0.240 256 D C -1.162 175.353 176.300 0.359 0.000 1.137 256 D CA 1.161 55.339 54.000 0.296 0.000 0.677 256 D CB -0.739 40.214 40.800 0.255 0.000 1.049 256 D HN 0.221 nan 8.370 nan 0.000 0.427 257 K N 0.337 120.956 120.400 0.365 0.000 2.469 257 K HA 0.446 4.766 4.320 0.000 0.000 0.254 257 K C -0.315 176.494 176.600 0.348 0.000 0.939 257 K CA -0.983 55.493 56.287 0.314 0.000 0.812 257 K CB 1.582 34.222 32.500 0.233 0.000 1.301 257 K HN 0.029 nan 8.250 nan 0.000 0.433 258 F N 2.118 122.103 119.950 0.059 0.000 2.396 258 F HA 0.347 4.874 4.527 0.000 0.000 0.343 258 F C -0.660 175.088 175.800 -0.087 0.000 1.104 258 F CA -0.523 57.447 58.000 -0.050 0.000 1.161 258 F CB 0.961 39.808 39.000 -0.256 0.000 1.146 258 F HN 0.105 nan 8.300 nan 0.000 0.522 259 V N 7.674 127.061 119.914 -0.878 0.000 2.349 259 V HA 0.321 4.441 4.120 0.000 0.000 0.284 259 V C -2.301 173.204 176.094 -0.981 0.000 1.014 259 V CA -1.925 59.957 62.300 -0.696 0.000 0.826 259 V CB 1.070 32.730 31.823 -0.271 0.000 1.009 259 V HN 0.667 nan 8.190 nan 0.000 0.431 260 P HA 0.147 nan 4.420 nan 0.000 0.269 260 P C -0.450 176.756 177.300 -0.157 0.000 1.209 260 P CA -0.073 62.750 63.100 -0.462 0.000 0.776 260 P CB 0.591 32.236 31.700 -0.092 0.000 0.876 261 D N 0.957 121.349 120.400 -0.013 0.000 2.344 261 D HA 0.014 4.654 4.640 0.000 0.000 0.244 261 D C 0.597 177.064 176.300 0.279 0.000 1.134 261 D CA -0.037 54.047 54.000 0.141 0.000 0.930 261 D CB 0.162 41.086 40.800 0.205 0.000 1.175 261 D HN 0.324 nan 8.370 nan 0.000 0.437 262 N N 0.370 119.166 118.700 0.160 0.000 2.357 262 N HA -0.051 4.689 4.740 0.000 0.000 0.257 262 N C 0.879 176.418 175.510 0.049 0.000 1.250 262 N CA 1.354 54.461 53.050 0.095 0.000 0.862 262 N CB 0.449 38.968 38.487 0.053 0.000 1.066 262 N HN 0.631 nan 8.380 nan 0.000 0.468 263 G N 2.495 111.279 108.800 -0.027 0.000 2.157 263 G HA2 -0.242 3.718 3.960 0.000 0.000 0.239 263 G HA3 -0.242 3.718 3.960 0.000 0.000 0.239 263 G C -0.306 174.380 174.900 -0.358 0.000 0.982 263 G CA -0.082 44.902 45.100 -0.193 0.000 0.650 263 G HN 0.548 nan 8.290 nan 0.000 0.527 264 F N 0.272 120.231 119.950 0.015 0.000 2.495 264 F HA 0.729 5.256 4.527 0.000 0.000 0.327 264 F C 0.338 176.161 175.800 0.039 0.000 1.103 264 F CA -0.798 57.215 58.000 0.021 0.000 0.949 264 F CB 2.365 41.383 39.000 0.031 0.000 1.142 264 F HN 0.012 nan 8.300 nan 0.000 0.457 265 K N 3.367 123.910 120.400 0.239 0.000 2.565 265 K HA 0.406 4.726 4.320 0.000 0.000 0.249 265 K C -1.020 175.686 176.600 0.177 0.000 0.958 265 K CA -0.935 55.465 56.287 0.187 0.000 0.806 265 K CB 1.516 34.080 32.500 0.105 0.000 1.194 265 K HN 0.613 nan 8.250 nan 0.000 0.434 266 M N 5.279 125.030 119.600 0.253 0.000 3.282 266 M HA 0.070 4.550 4.480 0.000 0.000 0.242 266 M C -1.189 175.158 176.300 0.079 0.000 1.568 266 M CA 0.676 56.070 55.300 0.157 0.000 1.668 266 M CB -0.990 31.783 32.600 0.289 0.000 1.236 266 M HN 0.654 nan 8.290 nan 0.000 0.527 267 D N -0.106 120.258 120.400 -0.060 0.000 2.851 267 D HA 0.302 4.942 4.640 0.000 0.000 0.339 267 D C 0.782 176.814 176.300 -0.447 0.000 1.347 267 D CA -0.212 53.696 54.000 -0.154 0.000 0.888 267 D CB -0.219 40.575 40.800 -0.009 0.000 1.431 267 D HN 0.118 nan 8.370 nan 0.000 0.509 268 G N -1.080 107.456 108.800 -0.439 0.000 2.564 268 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 268 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 268 G C 1.114 175.952 174.900 -0.103 0.000 1.124 268 G CA 1.741 46.552 45.100 -0.482 0.000 0.764 268 G HN 0.735 nan 8.290 nan 0.000 0.550 269 T N -2.708 111.812 114.554 -0.057 0.000 3.044 269 T HA 0.591 4.941 4.350 0.000 0.000 0.250 269 T C 1.347 176.095 174.700 0.079 0.000 1.081 269 T CA 0.559 62.688 62.100 0.049 0.000 1.040 269 T CB 0.259 69.146 68.868 0.032 0.000 0.962 269 T HN 0.342 nan 8.240 nan 0.000 0.506 270 A N 3.256 126.113 122.820 0.062 0.000 2.366 270 A HA 0.587 4.907 4.320 0.000 0.000 0.250 270 A C -1.967 175.695 177.584 0.131 0.000 1.099 270 A CA -1.438 50.656 52.037 0.095 0.000 0.794 270 A CB -0.183 18.855 19.000 0.064 0.000 1.056 270 A HN 0.380 nan 8.150 nan 0.000 0.499 271 P HA 0.317 nan 4.420 nan 0.000 0.274 271 P C -0.886 176.235 177.300 -0.299 0.000 1.246 271 P CA -0.104 62.927 63.100 -0.115 0.000 0.795 271 P CB 0.692 32.242 31.700 -0.250 0.000 1.006 272 R N 0.006 120.319 120.500 -0.313 0.000 2.832 272 R HA 0.352 4.693 4.340 0.000 0.000 0.271 272 R C 0.864 177.051 176.300 -0.188 0.000 0.996 272 R CA -0.612 55.160 56.100 -0.545 0.000 0.977 272 R CB 0.560 30.158 30.300 -1.171 0.000 1.168 272 R HN 0.380 nan 8.270 nan 0.000 0.482 273 Y N -0.078 120.152 120.300 -0.116 0.000 2.220 273 Y HA -0.024 4.526 4.550 0.000 0.000 0.291 273 Y C 0.748 176.416 175.900 -0.386 0.000 1.129 273 Y CA 1.095 59.109 58.100 -0.144 0.000 1.161 273 Y CB 0.331 38.681 38.460 -0.184 0.000 0.997 273 Y HN 0.440 nan 8.280 nan 0.000 0.522 274 D N -2.084 118.050 120.400 -0.442 0.000 2.896 274 D HA 0.108 4.748 4.640 0.000 0.000 0.241 274 D C -1.030 174.906 176.300 -0.606 0.000 1.188 274 D CA -0.566 53.116 54.000 -0.531 0.000 0.879 274 D CB 1.137 41.427 40.800 -0.849 0.000 1.553 274 D HN 0.022 nan 8.370 nan 0.000 0.515 275 Y N 1.200 121.298 120.300 -0.337 0.000 2.470 275 Y HA 0.279 4.829 4.550 0.000 0.000 0.284 275 Y C 1.448 176.999 175.900 -0.583 0.000 1.188 275 Y CA -0.120 57.750 58.100 -0.382 0.000 1.269 275 Y CB 1.170 39.472 38.460 -0.262 0.000 1.094 275 Y HN 0.406 nan 8.280 nan 0.000 0.518 276 G N -0.180 108.237 108.800 -0.638 0.000 3.310 276 G HA2 0.219 4.180 3.960 0.000 0.000 0.176 276 G HA3 0.219 4.180 3.960 0.000 0.000 0.176 276 G C -0.897 173.434 174.900 -0.948 0.000 1.307 276 G CA -0.629 43.657 45.100 -1.358 0.000 0.935 276 G HN -0.086 nan 8.290 nan 0.000 0.628 277 K N -0.030 120.031 120.400 -0.567 0.000 2.250 277 K HA 0.525 4.845 4.320 0.000 0.000 0.280 277 K C -2.020 174.530 176.600 -0.084 0.000 1.098 277 K CA -0.476 55.666 56.287 -0.242 0.000 0.916 277 K CB -0.164 32.258 32.500 -0.130 0.000 1.209 277 K HN 0.396 nan 8.250 nan 0.000 0.461 278 Y N 3.854 124.033 120.300 -0.202 0.000 2.390 278 Y HA 0.398 4.948 4.550 0.000 0.000 0.324 278 Y C -2.120 173.812 175.900 0.053 0.000 1.151 278 Y CA -0.860 57.176 58.100 -0.107 0.000 1.053 278 Y CB 1.036 39.431 38.460 -0.107 0.000 1.277 278 Y HN 0.595 nan 8.280 nan 0.000 0.432 279 Y N 3.471 123.576 120.300 -0.325 0.000 2.656 279 Y HA 0.548 5.098 4.550 0.000 0.000 0.334 279 Y C 0.173 176.110 175.900 0.061 0.000 1.179 279 Y CA -0.459 57.588 58.100 -0.089 0.000 1.050 279 Y CB 2.015 40.410 38.460 -0.108 0.000 1.308 279 Y HN 0.955 nan 8.280 nan 0.000 0.456 280 A N 1.541 124.058 122.820 -0.506 0.000 2.826 280 A HA -0.182 4.139 4.320 0.000 0.000 0.274 280 A C 0.333 177.890 177.584 -0.045 0.000 1.443 280 A CA 1.030 52.942 52.037 -0.209 0.000 0.833 280 A CB -2.555 16.516 19.000 0.118 0.000 1.023 280 A HN 1.547 nan 8.150 nan 0.000 0.600 281 S N -0.779 114.895 115.700 -0.045 0.000 2.573 281 S HA 0.525 4.995 4.470 0.000 0.000 0.277 281 S C -0.149 174.552 174.600 0.168 0.000 1.346 281 S CA 0.574 58.813 58.200 0.065 0.000 1.034 281 S CB 1.535 64.876 63.200 0.236 0.000 0.879 281 S HN 1.161 nan 8.310 nan 0.000 0.528 282 K N 0.604 121.121 120.400 0.194 0.000 2.543 282 K HA 0.403 4.723 4.320 0.000 0.000 0.255 282 K C -0.766 175.975 176.600 0.236 0.000 0.934 282 K CA -0.473 55.944 56.287 0.217 0.000 0.810 282 K CB 1.897 34.508 32.500 0.184 0.000 1.315 282 K HN 0.939 nan 8.250 nan 0.000 0.433 283 T N -0.182 114.463 114.554 0.151 0.000 2.948 283 T HA 0.793 5.143 4.350 0.000 0.000 0.285 283 T C -0.357 174.494 174.700 0.251 0.000 1.019 283 T CA -0.664 61.464 62.100 0.045 0.000 1.013 283 T CB 0.710 69.326 68.868 -0.420 0.000 1.117 283 T HN 0.498 nan 8.240 nan 0.000 0.533 284 F N -0.942 119.054 119.950 0.077 0.000 2.668 284 F HA 0.733 5.260 4.527 0.000 0.000 0.309 284 F C -1.870 174.048 175.800 0.197 0.000 1.117 284 F CA -2.121 55.990 58.000 0.185 0.000 0.951 284 F CB 1.177 40.338 39.000 0.268 0.000 1.323 284 F HN 0.625 nan 8.300 nan 0.000 0.451 285 F N 3.147 123.158 119.950 0.102 0.000 2.404 285 F HA 0.361 4.888 4.527 0.000 0.000 0.358 285 F C -0.006 175.848 175.800 0.089 0.000 1.120 285 F CA -0.789 57.196 58.000 -0.024 0.000 1.144 285 F CB 0.471 39.522 39.000 0.085 0.000 1.133 285 F HN 0.631 nan 8.300 nan 0.000 0.495 286 D N 3.729 123.726 120.400 -0.672 0.000 2.494 286 D HA 0.074 4.714 4.640 0.000 0.000 0.217 286 D C 1.010 176.888 176.300 -0.703 0.000 1.153 286 D CA 0.091 53.895 54.000 -0.327 0.000 0.954 286 D CB 0.491 41.196 40.800 -0.157 0.000 1.034 286 D HN 0.494 nan 8.370 nan 0.000 0.518 287 S N 2.092 117.404 115.700 -0.647 0.000 2.500 287 S HA -0.147 4.323 4.470 0.000 0.000 0.239 287 S C 1.941 176.428 174.600 -0.188 0.000 0.989 287 S CA 0.495 58.415 58.200 -0.467 0.000 0.951 287 S CB -0.100 63.106 63.200 0.010 0.000 0.759 287 S HN 0.422 nan 8.310 nan 0.000 0.523 288 A N 2.118 124.857 122.820 -0.134 0.000 1.968 288 A HA 0.097 4.417 4.320 0.000 0.000 0.217 288 A C 1.900 179.450 177.584 -0.057 0.000 1.169 288 A CA 0.975 52.971 52.037 -0.069 0.000 0.638 288 A CB -0.153 18.815 19.000 -0.053 0.000 0.812 288 A HN 0.596 nan 8.150 nan 0.000 0.446 289 K N -0.739 119.610 120.400 -0.085 0.000 2.619 289 K HA 0.147 4.467 4.320 0.000 0.000 0.201 289 K C -0.692 175.846 176.600 -0.104 0.000 1.090 289 K CA -0.286 55.958 56.287 -0.072 0.000 1.063 289 K CB 0.503 32.977 32.500 -0.043 0.000 0.810 289 K HN 0.335 nan 8.250 nan 0.000 0.506 290 N N 2.661 121.265 118.700 -0.160 0.000 2.714 290 N HA -0.203 4.537 4.740 0.000 0.000 0.253 290 N C -0.947 174.527 175.510 -0.061 0.000 1.024 290 N CA 1.219 54.219 53.050 -0.082 0.000 0.726 290 N CB -0.970 37.537 38.487 0.034 0.000 0.908 290 N HN 0.555 nan 8.380 nan 0.000 0.542 291 R N -1.416 118.970 120.500 -0.191 0.000 2.774 291 R HA 0.624 4.965 4.340 0.000 0.000 0.272 291 R C -0.688 175.505 176.300 -0.177 0.000 1.000 291 R CA -1.107 54.926 56.100 -0.111 0.000 0.906 291 R CB 2.037 32.264 30.300 -0.123 0.000 1.227 291 R HN 0.120 nan 8.270 nan 0.000 0.468 292 R N 1.929 122.365 120.500 -0.107 0.000 2.295 292 R HA 0.385 4.725 4.340 0.000 0.000 0.324 292 R C -1.100 174.994 176.300 -0.343 0.000 0.968 292 R CA -0.631 55.332 56.100 -0.228 0.000 0.837 292 R CB 0.900 31.086 30.300 -0.190 0.000 1.133 292 R HN 0.558 nan 8.270 nan 0.000 0.450 293 I N 4.992 125.219 120.570 -0.572 0.000 2.359 293 I HA 0.250 4.420 4.170 0.000 0.000 0.294 293 I C -0.660 175.251 176.117 -0.342 0.000 0.987 293 I CA -0.660 60.344 61.300 -0.493 0.000 1.225 293 I CB 1.602 39.248 38.000 -0.590 0.000 1.366 293 I HN 0.500 nan 8.210 nan 0.000 0.466 294 L N 6.783 127.823 121.223 -0.305 0.000 2.296 294 L HA 0.542 4.883 4.340 0.000 0.000 0.286 294 L C -1.578 175.196 176.870 -0.161 0.000 1.023 294 L CA -0.160 54.552 54.840 -0.214 0.000 0.812 294 L CB 0.738 42.589 42.059 -0.348 0.000 1.223 294 L HN 0.492 nan 8.230 nan 0.000 0.421 295 W N 3.964 125.280 121.300 0.026 0.000 2.520 295 W HA 0.736 5.396 4.660 0.000 0.000 0.323 295 W C 0.328 176.826 176.519 -0.036 0.000 1.062 295 W CA -0.444 56.914 57.345 0.022 0.000 1.215 295 W CB 2.263 31.729 29.460 0.009 0.000 1.340 295 W HN 0.761 nan 8.180 nan 0.000 0.516 296 G N 2.209 111.114 108.800 0.174 0.000 2.701 296 G HA2 0.400 4.360 3.960 0.000 0.000 0.300 296 G HA3 0.400 4.360 3.960 0.000 0.000 0.300 296 G C -2.484 172.332 174.900 -0.139 0.000 1.410 296 G CA -0.841 44.050 45.100 -0.349 0.000 1.014 296 G HN 0.453 nan 8.290 nan 0.000 0.509 297 W N 2.788 123.898 121.300 -0.318 0.000 2.351 297 W HA 0.675 5.335 4.660 0.000 0.000 0.311 297 W C -0.613 175.837 176.519 -0.116 0.000 1.168 297 W CA -0.804 56.457 57.345 -0.140 0.000 1.200 297 W CB 1.587 31.001 29.460 -0.077 0.000 1.221 297 W HN 0.381 nan 8.180 nan 0.000 0.519 298 T N 7.861 122.219 114.554 -0.326 0.000 2.842 298 T HA 0.138 4.488 4.350 0.000 0.000 0.308 298 T C 0.264 174.664 174.700 -0.499 0.000 1.041 298 T CA -0.758 61.075 62.100 -0.445 0.000 0.964 298 T CB 0.077 68.866 68.868 -0.132 0.000 0.972 298 T HN 0.520 nan 8.240 nan 0.000 0.460 299 N N 2.813 121.027 118.700 -0.809 0.000 2.317 299 N HA 0.089 4.829 4.740 0.000 0.000 0.245 299 N C -0.203 175.254 175.510 -0.089 0.000 1.294 299 N CA -0.443 52.398 53.050 -0.349 0.000 0.924 299 N CB 0.501 38.766 38.487 -0.370 0.000 1.186 299 N HN 0.299 nan 8.380 nan 0.000 0.495 300 E N -0.556 119.659 120.200 0.025 0.000 2.366 300 E HA 0.123 4.473 4.350 0.000 0.000 0.266 300 E C -0.118 176.528 176.600 0.077 0.000 1.051 300 E CA -0.149 56.306 56.400 0.092 0.000 0.884 300 E CB 0.672 30.370 29.700 -0.003 0.000 1.006 300 E HN 0.595 nan 8.360 nan 0.000 0.417 301 S N 0.457 116.279 115.700 0.204 0.000 2.557 301 S HA 0.028 4.498 4.470 0.000 0.000 0.223 301 S C 0.635 175.254 174.600 0.033 0.000 0.969 301 S CA -0.221 58.069 58.200 0.149 0.000 0.927 301 S CB 0.223 63.542 63.200 0.198 0.000 0.806 301 S HN 0.519 nan 8.310 nan 0.000 0.489 302 S N 1.685 117.229 115.700 -0.260 0.000 2.707 302 S HA 0.561 5.031 4.470 0.000 0.000 0.276 302 S C 0.412 174.836 174.600 -0.294 0.000 1.179 302 S CA -0.738 57.118 58.200 -0.573 0.000 0.992 302 S CB 0.899 63.338 63.200 -1.268 0.000 1.030 302 S HN 0.324 nan 8.310 nan 0.000 0.554 303 S N -0.079 115.467 115.700 -0.256 0.000 2.584 303 S HA 0.140 4.610 4.470 0.000 0.000 0.270 303 S C 1.057 175.576 174.600 -0.134 0.000 1.346 303 S CA -0.292 57.818 58.200 -0.150 0.000 1.018 303 S CB 0.853 63.979 63.200 -0.123 0.000 0.899 303 S HN 1.114 nan 8.310 nan 0.000 0.542 304 V N 1.351 121.222 119.914 -0.072 0.000 2.515 304 V HA -0.125 3.995 4.120 0.000 0.000 0.250 304 V C 2.191 178.248 176.094 -0.062 0.000 1.058 304 V CA 2.357 64.632 62.300 -0.041 0.000 1.064 304 V CB -1.146 30.670 31.823 -0.011 0.000 0.675 304 V HN 0.945 nan 8.190 nan 0.000 0.461 305 E N 0.320 120.478 120.200 -0.070 0.000 2.051 305 E HA -0.206 4.144 4.350 0.000 0.000 0.192 305 E C 1.953 178.500 176.600 -0.089 0.000 0.991 305 E CA 1.808 58.169 56.400 -0.065 0.000 0.799 305 E CB -0.376 29.290 29.700 -0.057 0.000 0.748 305 E HN 0.636 nan 8.360 nan 0.000 0.449 306 D N 0.410 120.731 120.400 -0.131 0.000 2.144 306 D HA -0.136 4.504 4.640 0.000 0.000 0.199 306 D C 1.339 177.512 176.300 -0.212 0.000 0.984 306 D CA 1.081 54.979 54.000 -0.170 0.000 0.834 306 D CB -0.302 40.343 40.800 -0.258 0.000 0.955 306 D HN 0.131 nan 8.370 nan 0.000 0.465 307 D N -0.191 120.076 120.400 -0.222 0.000 2.092 307 D HA -0.112 4.528 4.640 0.000 0.000 0.193 307 D C 2.286 178.495 176.300 -0.152 0.000 0.994 307 D CA 0.604 54.458 54.000 -0.243 0.000 0.828 307 D CB -0.467 40.267 40.800 -0.110 0.000 0.963 307 D HN 0.039 nan 8.370 nan 0.000 0.450 308 V N 0.765 120.635 119.914 -0.073 0.000 2.332 308 V HA -0.252 3.868 4.120 0.000 0.000 0.248 308 V C 2.384 178.457 176.094 -0.036 0.000 1.055 308 V CA 1.871 64.151 62.300 -0.034 0.000 1.038 308 V CB -0.495 31.314 31.823 -0.025 0.000 0.651 308 V HN 0.142 nan 8.190 nan 0.000 0.450 309 E N 1.564 121.731 120.200 -0.056 0.000 2.051 309 E HA -0.240 4.110 4.350 0.000 0.000 0.192 309 E C 2.189 178.776 176.600 -0.022 0.000 0.991 309 E CA 1.902 58.282 56.400 -0.034 0.000 0.799 309 E CB -0.370 29.308 29.700 -0.037 0.000 0.748 309 E HN 0.742 nan 8.360 nan 0.000 0.449 310 K N -1.253 119.098 120.400 -0.081 0.000 2.365 310 K HA 0.061 4.381 4.320 0.000 0.000 0.199 310 K C 1.211 177.862 176.600 0.084 0.000 1.045 310 K CA 0.942 57.207 56.287 -0.038 0.000 0.962 310 K CB -0.060 32.301 32.500 -0.230 0.000 0.759 310 K HN 0.237 nan 8.250 nan 0.000 0.469 311 G N 1.316 110.134 108.800 0.030 0.000 2.141 311 G HA2 -0.205 3.755 3.960 0.000 0.000 0.242 311 G HA3 -0.205 3.755 3.960 0.000 0.000 0.242 311 G C -0.289 174.795 174.900 0.307 0.000 0.982 311 G CA 0.378 45.575 45.100 0.160 0.000 0.662 311 G HN 0.532 nan 8.290 nan 0.000 0.527 312 W N -1.999 119.364 121.300 0.104 0.000 2.923 312 W HA 0.790 5.450 4.660 0.000 0.000 0.373 312 W C -0.582 176.018 176.519 0.134 0.000 1.205 312 W CA -0.792 56.629 57.345 0.125 0.000 1.180 312 W CB 1.029 30.549 29.460 0.099 0.000 1.477 312 W HN 0.871 nan 8.180 nan 0.000 0.581 313 S N 0.736 116.695 115.700 0.432 0.000 2.586 313 S HA 0.531 5.001 4.470 0.000 0.000 0.296 313 S C -0.609 174.074 174.600 0.139 0.000 1.120 313 S CA 0.705 59.021 58.200 0.193 0.000 0.927 313 S CB 0.202 63.533 63.200 0.219 0.000 1.114 313 S HN 2.240 nan 8.310 nan 0.000 0.453 314 G N 3.144 112.079 108.800 0.226 0.000 2.907 314 G HA2 0.207 4.167 3.960 0.000 0.000 0.686 314 G HA3 0.207 4.167 3.960 0.000 0.000 0.686 314 G C -0.861 174.180 174.900 0.234 0.000 1.115 314 G CA -0.315 44.914 45.100 0.216 0.000 0.760 314 G HN 1.829 nan 8.290 nan 0.000 0.620 315 I N -2.104 118.613 120.570 0.245 0.000 3.102 315 I HA 0.836 5.006 4.170 0.000 0.000 0.310 315 I C -0.676 175.587 176.117 0.242 0.000 1.246 315 I CA -1.438 59.953 61.300 0.152 0.000 0.979 315 I CB 2.216 40.258 38.000 0.069 0.000 1.267 315 I HN 0.490 nan 8.210 nan 0.000 0.451 316 Q N 2.312 122.267 119.800 0.258 0.000 2.266 316 Q HA 0.410 4.750 4.340 0.000 0.000 0.261 316 Q C -0.162 176.045 176.000 0.345 0.000 0.985 316 Q CA -0.516 55.481 55.803 0.323 0.000 0.873 316 Q CB 2.168 31.156 28.738 0.416 0.000 1.306 316 Q HN 0.897 nan 8.270 nan 0.000 0.447 317 T N -2.053 112.686 114.554 0.307 0.000 2.698 317 T HA 0.344 4.694 4.350 0.000 0.000 0.295 317 T C 0.779 175.614 174.700 0.225 0.000 1.007 317 T CA -0.715 61.592 62.100 0.344 0.000 0.980 317 T CB 0.429 69.492 68.868 0.324 0.000 1.036 317 T HN 0.353 nan 8.240 nan 0.000 0.526 318 I N 3.239 123.873 120.570 0.107 0.000 2.556 318 I HA 0.222 4.392 4.170 0.000 0.000 0.284 318 I C -1.646 174.360 176.117 -0.186 0.000 1.114 318 I CA -2.574 58.675 61.300 -0.085 0.000 1.418 318 I CB -0.010 37.931 38.000 -0.098 0.000 1.394 318 I HN 0.588 nan 8.210 nan 0.000 0.552 319 P HA 0.077 nan 4.420 nan 0.000 0.266 319 P C -0.710 176.363 177.300 -0.378 0.000 1.193 319 P CA 0.003 62.693 63.100 -0.683 0.000 0.770 319 P CB 0.554 31.591 31.700 -1.104 0.000 0.836 320 R N 0.565 120.875 120.500 -0.317 0.000 2.725 320 R HA 0.498 4.838 4.340 0.000 0.000 0.277 320 R C -0.592 175.603 176.300 -0.175 0.000 0.987 320 R CA -1.209 54.766 56.100 -0.209 0.000 0.901 320 R CB 1.573 31.792 30.300 -0.135 0.000 1.207 320 R HN 0.337 nan 8.270 nan 0.000 0.463 321 K N 3.154 123.522 120.400 -0.054 0.000 2.322 321 K HA 0.310 4.630 4.320 0.000 0.000 0.283 321 K C -0.272 176.395 176.600 0.111 0.000 1.042 321 K CA -0.459 55.861 56.287 0.055 0.000 0.958 321 K CB 0.530 33.148 32.500 0.198 0.000 0.984 321 K HN 0.650 nan 8.250 nan 0.000 0.473 322 I N 1.304 121.910 120.570 0.061 0.000 2.689 322 I HA 0.800 4.970 4.170 0.000 0.000 0.299 322 I C -1.269 174.965 176.117 0.195 0.000 1.059 322 I CA -0.848 60.410 61.300 -0.071 0.000 1.055 322 I CB 1.342 39.215 38.000 -0.212 0.000 1.243 322 I HN 0.890 nan 8.210 nan 0.000 0.425 323 W N 3.630 124.918 121.300 -0.020 0.000 2.937 323 W HA 0.621 5.281 4.660 0.000 0.000 0.360 323 W C -2.567 173.961 176.519 0.015 0.000 1.215 323 W CA -1.201 56.142 57.345 -0.002 0.000 1.183 323 W CB 0.549 30.005 29.460 -0.008 0.000 1.458 323 W HN 0.552 nan 8.180 nan 0.000 0.574 324 L N 3.528 124.894 121.223 0.238 0.000 2.349 324 L HA 0.174 4.514 4.340 0.000 0.000 0.275 324 L C 0.504 177.500 176.870 0.210 0.000 1.115 324 L CA -0.208 54.704 54.840 0.119 0.000 0.820 324 L CB 0.473 42.571 42.059 0.065 0.000 1.135 324 L HN 0.626 nan 8.230 nan 0.000 0.445 325 D N 3.982 124.451 120.400 0.115 0.000 2.354 325 D HA -0.005 4.635 4.640 0.000 0.000 0.247 325 D C 0.796 177.204 176.300 0.180 0.000 1.138 325 D CA -0.465 53.637 54.000 0.170 0.000 0.958 325 D CB 1.022 41.892 40.800 0.117 0.000 1.144 325 D HN 0.470 nan 8.370 nan 0.000 0.458 326 R N 0.201 120.828 120.500 0.212 0.000 2.091 326 R HA -0.184 4.157 4.340 0.000 0.000 0.238 326 R C 2.282 178.704 176.300 0.204 0.000 1.136 326 R CA 2.076 58.320 56.100 0.241 0.000 0.959 326 R CB -0.319 30.119 30.300 0.229 0.000 0.856 326 R HN 0.640 nan 8.270 nan 0.000 0.437 327 S N -1.097 114.700 115.700 0.162 0.000 2.442 327 S HA -0.031 4.440 4.470 0.000 0.000 0.236 327 S C 1.542 176.220 174.600 0.130 0.000 1.007 327 S CA 1.019 59.304 58.200 0.142 0.000 0.965 327 S CB -0.260 63.017 63.200 0.127 0.000 0.773 327 S HN 0.643 nan 8.310 nan 0.000 0.504 328 G N 1.108 109.977 108.800 0.114 0.000 2.148 328 G HA2 -0.294 3.666 3.960 0.000 0.000 0.254 328 G HA3 -0.294 3.666 3.960 0.000 0.000 0.254 328 G C 0.653 175.653 174.900 0.167 0.000 0.981 328 G CA 0.641 45.792 45.100 0.085 0.000 0.670 328 G HN 0.597 nan 8.290 nan 0.000 0.528 329 K N -0.287 120.242 120.400 0.215 0.000 2.353 329 K HA 0.230 4.550 4.320 0.000 0.000 0.195 329 K C 1.072 177.932 176.600 0.432 0.000 1.031 329 K CA 1.005 57.497 56.287 0.341 0.000 1.079 329 K CB 0.341 32.966 32.500 0.209 0.000 0.857 329 K HN 0.810 nan 8.250 nan 0.000 0.535 330 Q N -0.515 119.474 119.800 0.315 0.000 2.630 330 Q HA 0.389 4.729 4.340 0.000 0.000 0.295 330 Q C -1.431 174.703 176.000 0.224 0.000 0.944 330 Q CA -0.935 55.091 55.803 0.372 0.000 0.766 330 Q CB 0.953 29.887 28.738 0.326 0.000 1.471 330 Q HN -0.096 nan 8.270 nan 0.000 0.416 331 L N 1.082 122.424 121.223 0.197 0.000 2.344 331 L HA 0.572 4.912 4.340 0.000 0.000 0.272 331 L C -0.497 176.281 176.870 -0.154 0.000 1.035 331 L CA -1.249 53.545 54.840 -0.078 0.000 0.807 331 L CB 1.341 43.242 42.059 -0.264 0.000 1.237 331 L HN 0.560 nan 8.230 nan 0.000 0.442 332 I N 1.642 121.921 120.570 -0.486 0.000 2.562 332 I HA 0.451 4.621 4.170 0.000 0.000 0.301 332 I C -0.298 175.326 176.117 -0.821 0.000 1.003 332 I CA -0.544 60.372 61.300 -0.641 0.000 1.127 332 I CB 1.703 39.137 38.000 -0.944 0.000 1.304 332 I HN 0.656 nan 8.210 nan 0.000 0.446 333 Q N 4.412 123.965 119.800 -0.412 0.000 2.397 333 Q HA 0.531 4.871 4.340 0.000 0.000 0.275 333 Q C -1.608 174.445 176.000 0.088 0.000 1.090 333 Q CA -0.678 54.994 55.803 -0.217 0.000 0.809 333 Q CB 3.445 32.149 28.738 -0.057 0.000 1.362 333 Q HN 0.657 nan 8.270 nan 0.000 0.431 334 W N 3.643 124.821 121.300 -0.204 0.000 3.624 334 W HA 0.284 4.944 4.660 0.000 0.000 0.312 334 W C -2.952 173.410 176.519 -0.261 0.000 1.203 334 W CA -1.821 55.368 57.345 -0.261 0.000 1.225 334 W CB 1.789 31.233 29.460 -0.026 0.000 1.321 334 W HN 0.467 nan 8.180 nan 0.000 0.506 335 P HA -0.044 nan 4.420 nan 0.000 0.266 335 P C 0.222 177.341 177.300 -0.302 0.000 1.195 335 P CA 0.418 63.221 63.100 -0.496 0.000 0.768 335 P CB 0.729 32.063 31.700 -0.609 0.000 0.838 336 V N 1.663 121.445 119.914 -0.220 0.000 2.720 336 V HA -0.038 4.082 4.120 0.000 0.000 0.307 336 V C 1.839 177.840 176.094 -0.154 0.000 1.071 336 V CA 0.060 62.263 62.300 -0.161 0.000 1.199 336 V CB -0.505 31.195 31.823 -0.204 0.000 0.900 336 V HN 0.479 nan 8.190 nan 0.000 0.494 337 R N 1.997 122.442 120.500 -0.091 0.000 2.200 337 R HA -0.158 4.182 4.340 0.000 0.000 0.234 337 R C 1.864 178.081 176.300 -0.138 0.000 1.127 337 R CA 1.802 57.847 56.100 -0.091 0.000 0.989 337 R CB -0.137 30.131 30.300 -0.054 0.000 0.869 337 R HN 0.885 nan 8.270 nan 0.000 0.459 338 E N 0.383 120.499 120.200 -0.140 0.000 2.204 338 E HA -0.129 4.221 4.350 0.000 0.000 0.195 338 E C 1.816 178.315 176.600 -0.169 0.000 0.990 338 E CA 0.633 56.947 56.400 -0.143 0.000 0.821 338 E CB -0.147 29.469 29.700 -0.140 0.000 0.750 338 E HN 0.042 nan 8.360 nan 0.000 0.477 339 V N 0.795 120.593 119.914 -0.193 0.000 2.626 339 V HA -0.249 3.871 4.120 0.000 0.000 0.252 339 V C 1.446 177.364 176.094 -0.295 0.000 1.067 339 V CA 1.745 63.906 62.300 -0.232 0.000 1.081 339 V CB -0.159 31.520 31.823 -0.240 0.000 0.686 339 V HN 0.257 nan 8.190 nan 0.000 0.468 340 E N -0.385 119.645 120.200 -0.284 0.000 2.338 340 E HA -0.169 4.181 4.350 0.000 0.000 0.197 340 E C 2.151 178.571 176.600 -0.299 0.000 1.007 340 E CA 0.590 56.786 56.400 -0.341 0.000 0.849 340 E CB -0.090 29.415 29.700 -0.324 0.000 0.774 340 E HN 0.590 nan 8.360 nan 0.000 0.506 341 R N 0.102 120.466 120.500 -0.226 0.000 2.316 341 R HA -0.012 4.328 4.340 0.000 0.000 0.202 341 R C 1.714 177.911 176.300 -0.172 0.000 1.029 341 R CA 0.491 56.486 56.100 -0.175 0.000 1.018 341 R CB 0.015 30.233 30.300 -0.136 0.000 0.888 341 R HN 0.207 nan 8.270 nan 0.000 0.471 342 L N 0.093 121.180 121.223 -0.226 0.000 2.477 342 L HA 0.091 4.431 4.340 0.000 0.000 0.220 342 L C 0.588 177.341 176.870 -0.194 0.000 1.106 342 L CA 0.081 54.789 54.840 -0.219 0.000 0.851 342 L CB -0.030 41.825 42.059 -0.340 0.000 0.994 342 L HN 0.004 nan 8.230 nan 0.000 0.462 343 R N 0.896 121.258 120.500 -0.230 0.000 2.522 343 R HA 0.073 4.413 4.340 0.000 0.000 0.284 343 R C 0.169 176.456 176.300 -0.023 0.000 1.032 343 R CA 0.002 56.009 56.100 -0.155 0.000 1.049 343 R CB 0.110 30.140 30.300 -0.449 0.000 0.956 343 R HN -0.007 nan 8.270 nan 0.000 0.422 344 T N 4.205 118.811 114.554 0.086 0.000 2.937 344 T HA -0.028 4.322 4.350 0.000 0.000 0.316 344 T C 1.474 176.248 174.700 0.123 0.000 1.079 344 T CA -0.344 61.808 62.100 0.087 0.000 1.131 344 T CB 0.577 69.499 68.868 0.091 0.000 1.000 344 T HN 0.504 nan 8.240 nan 0.000 0.549 345 K N 2.526 122.968 120.400 0.070 0.000 2.074 345 K HA -0.137 4.183 4.320 0.000 0.000 0.209 345 K C 0.581 177.239 176.600 0.097 0.000 1.048 345 K CA 1.418 57.746 56.287 0.069 0.000 0.926 345 K CB -0.200 32.321 32.500 0.036 0.000 0.713 345 K HN 0.660 nan 8.250 nan 0.000 0.444 346 Q N 1.679 121.526 119.800 0.079 0.000 2.360 346 Q HA 0.348 4.688 4.340 0.000 0.000 0.254 346 Q C -0.853 175.174 176.000 0.044 0.000 0.975 346 Q CA -0.463 55.373 55.803 0.054 0.000 0.912 346 Q CB 2.131 30.884 28.738 0.025 0.000 1.212 346 Q HN -0.021 nan 8.270 nan 0.000 0.452 347 V N 2.793 122.710 119.914 0.004 0.000 2.617 347 V HA 0.366 4.486 4.120 0.000 0.000 0.298 347 V C -0.626 175.339 176.094 -0.214 0.000 1.048 347 V CA -0.615 61.570 62.300 -0.192 0.000 0.964 347 V CB 1.783 33.346 31.823 -0.433 0.000 1.004 347 V HN 0.595 nan 8.190 nan 0.000 0.466 348 K N 4.799 125.033 120.400 -0.277 0.000 2.227 348 K HA 0.407 4.727 4.320 0.000 0.000 0.280 348 K C -0.517 175.935 176.600 -0.248 0.000 1.041 348 K CA 0.163 56.333 56.287 -0.195 0.000 0.905 348 K CB 0.634 33.046 32.500 -0.147 0.000 1.068 348 K HN 0.847 nan 8.250 nan 0.000 0.470 349 N N 3.344 121.943 118.700 -0.168 0.000 2.362 349 N HA 0.638 5.378 4.740 0.000 0.000 0.299 349 N C -1.721 173.730 175.510 -0.099 0.000 1.170 349 N CA -0.693 52.262 53.050 -0.158 0.000 0.825 349 N CB 0.846 39.258 38.487 -0.126 0.000 1.299 349 N HN 0.476 nan 8.380 nan 0.000 0.502 350 L N 2.070 123.237 121.223 -0.094 0.000 2.580 350 L HA 0.473 4.813 4.340 0.000 0.000 0.266 350 L C -0.900 175.936 176.870 -0.058 0.000 0.955 350 L CA -0.764 54.041 54.840 -0.058 0.000 0.886 350 L CB 1.823 43.852 42.059 -0.049 0.000 1.263 350 L HN 0.662 nan 8.230 nan 0.000 0.406 351 R N 1.854 122.331 120.500 -0.039 0.000 2.803 351 R HA 0.569 4.909 4.340 0.000 0.000 0.276 351 R C -0.522 175.764 176.300 -0.023 0.000 0.978 351 R CA -0.925 55.154 56.100 -0.036 0.000 0.939 351 R CB 1.179 31.460 30.300 -0.031 0.000 1.179 351 R HN 0.542 nan 8.270 nan 0.000 0.472 352 N N 1.396 120.083 118.700 -0.022 0.000 2.686 352 N HA -0.145 4.595 4.740 0.000 0.000 0.261 352 N C -1.164 174.343 175.510 -0.005 0.000 1.001 352 N CA 1.078 54.120 53.050 -0.013 0.000 0.764 352 N CB -0.386 38.095 38.487 -0.010 0.000 0.898 352 N HN 0.573 nan 8.380 nan 0.000 0.544 353 K N 0.683 121.082 120.400 -0.001 0.000 2.316 353 K HA 0.350 4.670 4.320 0.000 0.000 0.267 353 K C 0.032 176.644 176.600 0.021 0.000 1.025 353 K CA -0.598 55.697 56.287 0.014 0.000 0.896 353 K CB 1.767 34.280 32.500 0.022 0.000 1.124 353 K HN -0.079 nan 8.250 nan 0.000 0.451 354 V N 5.322 125.247 119.914 0.017 0.000 2.427 354 V HA 0.154 4.274 4.120 0.000 0.000 0.268 354 V C 0.567 176.673 176.094 0.021 0.000 1.046 354 V CA -0.491 61.815 62.300 0.011 0.000 0.970 354 V CB 0.229 32.053 31.823 0.002 0.000 1.001 354 V HN 0.509 nan 8.190 nan 0.000 0.476 355 L N 6.170 127.403 121.223 0.016 0.000 2.261 355 L HA 0.386 4.726 4.340 0.000 0.000 0.289 355 L C 0.311 177.180 176.870 -0.001 0.000 1.059 355 L CA -0.488 54.366 54.840 0.024 0.000 0.816 355 L CB 0.701 42.777 42.059 0.029 0.000 1.191 355 L HN 0.593 nan 8.230 nan 0.000 0.431 356 K N 1.631 122.045 120.400 0.023 0.000 2.126 356 K HA 0.183 4.503 4.320 0.000 0.000 0.257 356 K C 0.360 176.985 176.600 0.042 0.000 1.007 356 K CA -0.385 55.916 56.287 0.023 0.000 0.928 356 K CB 0.866 33.385 32.500 0.032 0.000 1.013 356 K HN 0.387 nan 8.250 nan 0.000 0.473 357 S N 1.215 116.941 115.700 0.043 0.000 2.784 357 S HA 0.133 4.603 4.470 0.000 0.000 0.322 357 S C 1.108 175.766 174.600 0.097 0.000 1.234 357 S CA 1.084 59.325 58.200 0.069 0.000 1.064 357 S CB -1.044 62.211 63.200 0.091 0.000 0.787 357 S HN 0.859 nan 8.310 nan 0.000 0.506 358 G N 3.269 112.168 108.800 0.166 0.000 2.148 358 G HA2 -0.254 3.706 3.960 0.000 0.000 0.254 358 G HA3 -0.254 3.706 3.960 0.000 0.000 0.254 358 G C 0.128 175.165 174.900 0.227 0.000 0.981 358 G CA 0.435 45.654 45.100 0.199 0.000 0.670 358 G HN 1.651 nan 8.290 nan 0.000 0.528 359 S N -0.860 114.967 115.700 0.213 0.000 2.722 359 S HA 0.910 5.380 4.470 0.000 0.000 0.292 359 S C -0.073 174.651 174.600 0.206 0.000 1.135 359 S CA 0.034 58.336 58.200 0.170 0.000 1.003 359 S CB 2.074 65.338 63.200 0.107 0.000 1.067 359 S HN 1.376 nan 8.310 nan 0.000 0.546 360 R N -0.202 120.399 120.500 0.169 0.000 2.668 360 R HA 0.773 5.113 4.340 0.000 0.000 0.272 360 R C -2.076 174.342 176.300 0.198 0.000 1.019 360 R CA -1.037 55.175 56.100 0.186 0.000 0.894 360 R CB 0.984 31.356 30.300 0.121 0.000 1.228 360 R HN 0.536 nan 8.270 nan 0.000 0.460 361 L N 1.314 122.679 121.223 0.237 0.000 2.356 361 L HA 0.451 4.791 4.340 0.000 0.000 0.277 361 L C -0.693 176.306 176.870 0.215 0.000 0.996 361 L CA -0.399 54.563 54.840 0.205 0.000 0.822 361 L CB 1.928 44.071 42.059 0.139 0.000 1.256 361 L HN 0.878 nan 8.230 nan 0.000 0.413 362 E N 3.451 123.726 120.200 0.125 0.000 2.283 362 E HA 0.449 4.799 4.350 0.000 0.000 0.278 362 E C -1.399 174.925 176.600 -0.459 0.000 1.027 362 E CA -0.686 55.530 56.400 -0.308 0.000 0.843 362 E CB 1.298 30.699 29.700 -0.497 0.000 1.062 362 E HN 0.501 nan 8.360 nan 0.000 0.401 363 V N 6.199 125.800 119.914 -0.522 0.000 2.334 363 V HA 0.191 4.311 4.120 0.000 0.000 0.267 363 V C -0.679 175.172 176.094 -0.404 0.000 1.040 363 V CA -0.438 61.663 62.300 -0.330 0.000 0.866 363 V CB -0.564 31.130 31.823 -0.214 0.000 1.019 363 V HN 0.604 nan 8.190 nan 0.000 0.468 364 Y N 1.462 121.702 120.300 -0.100 0.000 2.392 364 Y HA 0.604 5.154 4.550 0.000 0.000 0.323 364 Y C 1.413 177.263 175.900 -0.082 0.000 1.291 364 Y CA 0.214 58.262 58.100 -0.087 0.000 1.345 364 Y CB 0.866 39.296 38.460 -0.051 0.000 1.320 364 Y HN 0.751 nan 8.280 nan 0.000 0.518 365 G N 0.063 108.931 108.800 0.113 0.000 2.324 365 G HA2 -0.033 3.927 3.960 0.000 0.000 0.292 365 G HA3 -0.033 3.927 3.960 0.000 0.000 0.292 365 G C -1.008 173.887 174.900 -0.009 0.000 1.079 365 G CA 0.286 45.408 45.100 0.037 0.000 1.026 365 G HN 0.927 nan 8.290 nan 0.000 0.506 366 V N -0.398 119.498 119.914 -0.029 0.000 3.036 366 V HA 0.706 4.827 4.120 0.000 0.000 0.288 366 V C 0.358 176.421 176.094 -0.052 0.000 1.407 366 V CA 0.163 62.441 62.300 -0.038 0.000 0.983 366 V CB 2.113 33.901 31.823 -0.057 0.000 1.128 366 V HN 1.390 nan 8.190 nan 0.000 0.439 367 T N 3.635 118.174 114.554 -0.024 0.000 2.961 367 T HA 0.410 4.760 4.350 0.000 0.000 0.270 367 T C 1.255 175.924 174.700 -0.052 0.000 0.926 367 T CA 0.305 62.386 62.100 -0.032 0.000 1.112 367 T CB 0.879 69.753 68.868 0.010 0.000 0.926 367 T HN 1.524 nan 8.240 nan 0.000 0.612 368 A N 2.893 125.654 122.820 -0.099 0.000 2.186 368 A HA 0.214 4.534 4.320 0.000 0.000 0.219 368 A C 2.379 179.911 177.584 -0.087 0.000 1.159 368 A CA 1.150 53.128 52.037 -0.098 0.000 0.680 368 A CB -0.695 18.216 19.000 -0.148 0.000 0.787 368 A HN 1.086 nan 8.150 nan 0.000 0.467 369 A N -2.118 120.617 122.820 -0.141 0.000 2.267 369 A HA 0.309 4.629 4.320 0.000 0.000 0.213 369 A C 0.996 178.338 177.584 -0.405 0.000 1.192 369 A CA 0.673 52.540 52.037 -0.283 0.000 0.851 369 A CB 0.047 18.825 19.000 -0.369 0.000 0.881 369 A HN 0.492 nan 8.150 nan 0.000 0.494 370 Q N -0.486 119.237 119.800 -0.130 0.000 3.550 370 Q HA 0.572 4.912 4.340 0.000 0.000 0.206 370 Q C -1.070 175.054 176.000 0.207 0.000 0.891 370 Q CA -0.036 55.840 55.803 0.121 0.000 0.737 370 Q CB 0.795 29.674 28.738 0.235 0.000 1.417 370 Q HN 0.486 nan 8.270 nan 0.000 0.460 371 A N 1.646 124.602 122.820 0.226 0.000 2.568 371 A HA 0.769 5.089 4.320 0.000 0.000 0.291 371 A C -1.905 175.799 177.584 0.199 0.000 1.159 371 A CA -0.601 51.536 52.037 0.167 0.000 0.679 371 A CB 1.994 21.054 19.000 0.099 0.000 1.285 371 A HN 0.463 nan 8.150 nan 0.000 0.428 372 D N -0.294 120.221 120.400 0.191 0.000 2.757 372 D HA 0.517 5.157 4.640 0.000 0.000 0.249 372 D C -1.076 175.409 176.300 0.309 0.000 1.168 372 D CA 0.033 54.166 54.000 0.222 0.000 0.870 372 D CB 1.806 42.685 40.800 0.131 0.000 1.411 372 D HN 1.105 nan 8.370 nan 0.000 0.525 373 V N 0.492 120.548 119.914 0.238 0.000 2.735 373 V HA 0.786 4.906 4.120 0.000 0.000 0.310 373 V C -0.757 175.467 176.094 0.216 0.000 1.061 373 V CA -0.695 61.714 62.300 0.182 0.000 0.913 373 V CB 1.956 33.835 31.823 0.094 0.000 1.005 373 V HN 0.503 nan 8.190 nan 0.000 0.428 374 E N 3.256 123.568 120.200 0.187 0.000 2.244 374 E HA 0.620 4.970 4.350 0.000 0.000 0.260 374 E C -1.021 175.621 176.600 0.070 0.000 0.884 374 E CA -0.738 55.789 56.400 0.211 0.000 0.777 374 E CB 2.573 32.486 29.700 0.355 0.000 1.197 374 E HN 0.931 nan 8.360 nan 0.000 0.416 375 V N 0.690 120.623 119.914 0.031 0.000 2.815 375 V HA 0.620 4.740 4.120 0.000 0.000 0.314 375 V C -0.436 175.551 176.094 -0.179 0.000 1.064 375 V CA -0.983 61.218 62.300 -0.165 0.000 0.952 375 V CB 1.842 33.439 31.823 -0.377 0.000 1.020 375 V HN 0.608 nan 8.190 nan 0.000 0.439 376 L N 3.583 124.637 121.223 -0.282 0.000 2.342 376 L HA 0.595 4.935 4.340 0.000 0.000 0.276 376 L C -1.357 175.363 176.870 -0.249 0.000 0.997 376 L CA -0.208 54.541 54.840 -0.152 0.000 0.838 376 L CB 1.536 43.561 42.059 -0.057 0.000 1.224 376 L HN 0.640 nan 8.230 nan 0.000 0.416 377 F N 3.167 123.195 119.950 0.130 0.000 2.422 377 F HA 0.421 4.948 4.527 0.000 0.000 0.333 377 F C 0.361 176.158 175.800 -0.006 0.000 1.095 377 F CA -0.631 57.423 58.000 0.090 0.000 1.038 377 F CB 1.462 40.642 39.000 0.300 0.000 1.156 377 F HN 0.232 nan 8.300 nan 0.000 0.483 378 K N 3.886 124.358 120.400 0.120 0.000 2.559 378 K HA 0.529 4.849 4.320 0.000 0.000 0.249 378 K C -1.134 175.410 176.600 -0.093 0.000 0.958 378 K CA -0.617 55.674 56.287 0.007 0.000 0.901 378 K CB 1.037 33.535 32.500 -0.003 0.000 1.124 378 K HN 0.561 nan 8.250 nan 0.000 0.437 379 V N 1.377 121.205 119.914 -0.144 0.000 2.924 379 V HA 0.496 4.616 4.120 0.000 0.000 0.305 379 V C -0.069 175.926 176.094 -0.166 0.000 1.073 379 V CA -0.607 61.553 62.300 -0.233 0.000 1.098 379 V CB 0.938 32.617 31.823 -0.240 0.000 1.000 379 V HN 0.641 nan 8.190 nan 0.000 0.484 380 R N 1.907 122.306 120.500 -0.168 0.000 2.494 380 R HA 0.333 4.673 4.340 0.000 0.000 0.305 380 R C -0.677 175.561 176.300 -0.104 0.000 0.959 380 R CA 0.019 56.053 56.100 -0.111 0.000 0.864 380 R CB 1.090 31.337 30.300 -0.089 0.000 1.159 380 R HN 1.251 nan 8.270 nan 0.000 0.446 381 D N 1.230 121.583 120.400 -0.078 0.000 3.301 381 D HA -0.199 4.441 4.640 0.000 0.000 0.220 381 D C 0.503 176.743 176.300 -0.099 0.000 1.173 381 D CA 0.338 54.302 54.000 -0.060 0.000 0.974 381 D CB -1.028 39.757 40.800 -0.025 0.000 0.853 381 D HN 0.547 nan 8.370 nan 0.000 0.396 382 L N 0.513 121.621 121.223 -0.192 0.000 2.191 382 L HA -0.185 4.155 4.340 0.000 0.000 0.212 382 L C 2.199 178.999 176.870 -0.117 0.000 1.103 382 L CA 1.609 56.229 54.840 -0.367 0.000 0.769 382 L CB -0.366 41.144 42.059 -0.915 0.000 0.908 382 L HN 0.335 nan 8.230 nan 0.000 0.438 383 E N -0.119 120.107 120.200 0.044 0.000 2.267 383 E HA -0.199 4.151 4.350 0.000 0.000 0.197 383 E C 1.721 178.393 176.600 0.119 0.000 0.998 383 E CA 0.772 57.266 56.400 0.156 0.000 0.830 383 E CB -0.234 29.534 29.700 0.114 0.000 0.751 383 E HN 0.269 nan 8.360 nan 0.000 0.491 384 K N 0.546 120.983 120.400 0.062 0.000 2.432 384 K HA 0.174 4.494 4.320 0.000 0.000 0.196 384 K C 0.613 177.268 176.600 0.092 0.000 1.038 384 K CA 0.535 56.860 56.287 0.063 0.000 0.986 384 K CB -0.110 32.411 32.500 0.035 0.000 0.782 384 K HN 0.170 nan 8.250 nan 0.000 0.485 385 A N 2.355 125.238 122.820 0.106 0.000 2.477 385 A HA 0.025 4.345 4.320 0.000 0.000 0.246 385 A C 0.000 177.702 177.584 0.197 0.000 1.078 385 A CA -0.202 51.916 52.037 0.137 0.000 0.770 385 A CB 0.156 19.254 19.000 0.163 0.000 1.011 385 A HN 0.140 nan 8.150 nan 0.000 0.494 386 D N 0.830 121.354 120.400 0.207 0.000 2.400 386 D HA 0.163 4.803 4.640 0.000 0.000 0.238 386 D C -0.053 176.434 176.300 0.311 0.000 1.157 386 D CA 0.385 54.541 54.000 0.259 0.000 0.889 386 D CB 0.894 41.897 40.800 0.338 0.000 1.199 386 D HN 0.206 nan 8.370 nan 0.000 0.436 387 V N 3.496 123.515 119.914 0.176 0.000 2.408 387 V HA 0.098 4.218 4.120 0.000 0.000 0.267 387 V C 0.914 176.987 176.094 -0.036 0.000 1.047 387 V CA -0.446 61.900 62.300 0.077 0.000 0.937 387 V CB 0.845 32.663 31.823 -0.008 0.000 0.999 387 V HN 0.402 nan 8.190 nan 0.000 0.472 388 I N 4.023 124.536 120.570 -0.095 0.000 2.892 388 I HA 0.120 4.290 4.170 0.000 0.000 0.287 388 I C 0.720 176.491 176.117 -0.576 0.000 1.205 388 I CA -0.200 60.786 61.300 -0.524 0.000 1.409 388 I CB 0.596 38.322 38.000 -0.456 0.000 1.367 388 I HN 0.591 nan 8.210 nan 0.000 0.597 389 E N 7.497 127.068 120.200 -1.047 0.000 2.316 389 E HA 0.133 4.483 4.350 0.000 0.000 0.275 389 E C -1.821 174.460 176.600 -0.531 0.000 1.029 389 E CA -1.610 54.215 56.400 -0.959 0.000 0.871 389 E CB 0.664 29.316 29.700 -1.747 0.000 1.022 389 E HN 0.464 nan 8.360 nan 0.000 0.418 390 P HA -0.211 nan 4.420 nan 0.000 0.217 390 P C 1.375 178.629 177.300 -0.077 0.000 1.151 390 P CA 1.707 64.710 63.100 -0.160 0.000 0.849 390 P CB 0.246 31.871 31.700 -0.125 0.000 0.787 391 S N -3.571 112.099 115.700 -0.049 0.000 2.470 391 S HA -0.069 4.401 4.470 0.000 0.000 0.225 391 S C 0.479 175.218 174.600 0.232 0.000 1.006 391 S CA -0.214 58.034 58.200 0.080 0.000 0.934 391 S CB -0.980 62.281 63.200 0.102 0.000 0.778 391 S HN 0.015 nan 8.310 nan 0.000 0.517 392 W N 3.847 125.133 121.300 -0.024 0.000 2.607 392 W HA 0.307 4.967 4.660 0.000 0.000 0.336 392 W C 1.395 177.958 176.519 0.073 0.000 1.439 392 W CA 0.155 57.506 57.345 0.010 0.000 1.346 392 W CB -0.692 28.746 29.460 -0.036 0.000 1.425 392 W HN 0.472 nan 8.180 nan 0.000 0.565 393 T N -2.450 112.278 114.554 0.289 0.000 2.969 393 T HA -0.001 4.349 4.350 0.000 0.000 0.258 393 T C -0.012 174.862 174.700 0.290 0.000 0.962 393 T CA -0.173 62.097 62.100 0.284 0.000 0.903 393 T CB 0.255 69.225 68.868 0.170 0.000 1.177 393 T HN 0.179 nan 8.240 nan 0.000 0.511 394 D N 3.069 123.545 120.400 0.126 0.000 2.380 394 D HA 0.330 4.970 4.640 0.000 0.000 0.230 394 D C -1.811 174.388 176.300 -0.168 0.000 1.154 394 D CA -2.264 51.735 54.000 -0.003 0.000 0.859 394 D CB 2.021 42.806 40.800 -0.025 0.000 1.045 394 D HN 0.006 nan 8.370 nan 0.000 0.495 395 P HA -0.159 nan 4.420 nan 0.000 0.216 395 P C 1.298 178.378 177.300 -0.367 0.000 1.150 395 P CA 1.041 63.725 63.100 -0.692 0.000 0.837 395 P CB 0.332 31.441 31.700 -0.984 0.000 0.786 396 Q N -0.286 119.374 119.800 -0.233 0.000 2.046 396 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 396 Q C 2.048 177.962 176.000 -0.144 0.000 0.975 396 Q CA 1.323 57.044 55.803 -0.137 0.000 0.836 396 Q CB -0.618 28.096 28.738 -0.041 0.000 0.896 396 Q HN 0.187 nan 8.270 nan 0.000 0.428 397 L N 0.359 121.487 121.223 -0.158 0.000 2.093 397 L HA -0.174 4.166 4.340 0.000 0.000 0.208 397 L C 2.378 179.086 176.870 -0.270 0.000 1.085 397 L CA 0.779 55.508 54.840 -0.185 0.000 0.755 397 L CB -0.369 41.579 42.059 -0.186 0.000 0.904 397 L HN 0.344 nan 8.230 nan 0.000 0.435 398 I N -0.841 119.530 120.570 -0.331 0.000 2.226 398 I HA -0.307 3.863 4.170 0.000 0.000 0.245 398 I C 2.537 178.560 176.117 -0.157 0.000 1.100 398 I CA 1.035 62.110 61.300 -0.375 0.000 1.374 398 I CB -0.430 37.411 38.000 -0.266 0.000 1.057 398 I HN 0.369 nan 8.210 nan 0.000 0.413 399 c N 0.057 118.581 118.600 -0.126 0.000 2.432 399 c HA -0.078 4.492 4.570 0.000 0.000 0.280 399 c C 3.141 177.207 174.090 -0.041 0.000 1.353 399 c CA 0.907 57.200 56.329 -0.061 0.000 1.766 399 c CB -0.854 41.576 42.510 -0.133 0.000 1.924 399 c HN 0.482 nan 8.230 nan 0.000 0.509 400 S N 0.665 116.313 115.700 -0.088 0.000 2.362 400 S HA -0.095 4.375 4.470 0.000 0.000 0.221 400 S C 1.851 176.417 174.600 -0.056 0.000 1.032 400 S CA 1.034 59.190 58.200 -0.074 0.000 0.973 400 S CB -0.159 62.988 63.200 -0.088 0.000 0.849 400 S HN 0.656 nan 8.310 nan 0.000 0.465 401 K N 0.387 120.734 120.400 -0.088 0.000 2.228 401 K HA 0.184 4.504 4.320 0.000 0.000 0.202 401 K C 0.353 176.950 176.600 -0.006 0.000 1.051 401 K CA 0.692 56.941 56.287 -0.064 0.000 0.960 401 K CB 0.004 32.430 32.500 -0.123 0.000 0.743 401 K HN 0.312 nan 8.250 nan 0.000 0.458 402 M N 2.554 122.162 119.600 0.014 0.000 2.999 402 M HA 0.106 4.586 4.480 0.000 0.000 0.206 402 M C -0.720 175.652 176.300 0.119 0.000 1.111 402 M CA -0.728 54.629 55.300 0.096 0.000 0.946 402 M CB 0.550 33.257 32.600 0.180 0.000 1.330 402 M HN 0.095 nan 8.290 nan 0.000 0.533 403 N N -0.214 118.539 118.700 0.087 0.000 2.255 403 N HA 0.083 4.823 4.740 0.000 0.000 0.253 403 N C 1.040 176.612 175.510 0.103 0.000 1.313 403 N CA -0.538 52.580 53.050 0.114 0.000 0.912 403 N CB 0.207 38.731 38.487 0.062 0.000 1.145 403 N HN 0.164 nan 8.380 nan 0.000 0.511 404 V N -3.191 116.781 119.914 0.097 0.000 2.568 404 V HA -0.227 3.893 4.120 0.000 0.000 0.253 404 V C 2.038 178.155 176.094 0.038 0.000 1.072 404 V CA 1.932 64.223 62.300 -0.016 0.000 1.084 404 V CB -1.729 30.126 31.823 0.054 0.000 0.676 404 V HN 0.826 nan 8.190 nan 0.000 0.469 405 S N -0.528 115.193 115.700 0.036 0.000 2.561 405 S HA 0.134 4.605 4.470 0.000 0.000 0.225 405 S C 0.659 175.252 174.600 -0.012 0.000 0.977 405 S CA 0.098 58.296 58.200 -0.003 0.000 0.926 405 S CB -0.451 62.746 63.200 -0.005 0.000 0.769 405 S HN 0.385 nan 8.310 nan 0.000 0.533 406 V N 2.930 122.849 119.914 0.008 0.000 2.364 406 V HA 0.336 4.456 4.120 0.000 0.000 0.272 406 V C 0.169 176.245 176.094 -0.031 0.000 1.036 406 V CA -0.793 61.517 62.300 0.016 0.000 0.880 406 V CB 0.997 32.859 31.823 0.065 0.000 0.991 406 V HN 0.333 nan 8.190 nan 0.000 0.460 407 K N 3.017 123.357 120.400 -0.101 0.000 2.107 407 K HA 0.704 5.024 4.320 0.000 0.000 0.251 407 K C 0.245 176.694 176.600 -0.252 0.000 1.012 407 K CA -0.252 55.853 56.287 -0.304 0.000 0.920 407 K CB 1.324 33.412 32.500 -0.685 0.000 1.033 407 K HN 0.872 nan 8.250 nan 0.000 0.478 408 S N -1.559 113.937 115.700 -0.341 0.000 2.672 408 S HA 0.354 4.824 4.470 0.000 0.000 0.271 408 S C 0.962 175.563 174.600 0.001 0.000 1.171 408 S CA -0.526 57.643 58.200 -0.052 0.000 0.817 408 S CB 0.868 64.063 63.200 -0.009 0.000 1.150 408 S HN 0.623 nan 8.310 nan 0.000 0.478 409 G N 0.302 109.199 108.800 0.162 0.000 2.545 409 G HA2 0.050 4.010 3.960 0.000 0.000 0.217 409 G HA3 0.050 4.010 3.960 0.000 0.000 0.217 409 G C 0.140 175.075 174.900 0.059 0.000 1.218 409 G CA 0.846 46.047 45.100 0.168 0.000 0.787 409 G HN 0.580 nan 8.290 nan 0.000 0.571 410 L N 1.267 122.496 121.223 0.011 0.000 2.294 410 L HA 0.612 4.952 4.340 0.000 0.000 0.283 410 L C 0.688 177.622 176.870 0.108 0.000 1.015 410 L CA 0.664 55.523 54.840 0.032 0.000 0.831 410 L CB -0.083 41.989 42.059 0.022 0.000 1.217 410 L HN 0.704 nan 8.230 nan 0.000 0.420 411 G N 5.390 114.305 108.800 0.192 0.000 2.663 411 G HA2 -0.092 3.868 3.960 0.000 0.000 0.686 411 G HA3 -0.092 3.868 3.960 0.000 0.000 0.686 411 G C -3.179 171.668 174.900 -0.089 0.000 1.288 411 G CA -1.210 43.961 45.100 0.118 0.000 0.836 411 G HN 0.328 nan 8.290 nan 0.000 0.584 412 P HA 0.518 nan 4.420 nan 0.000 0.271 412 P C -0.386 176.595 177.300 -0.531 0.000 1.226 412 P CA 0.220 63.024 63.100 -0.493 0.000 0.765 412 P CB 0.074 31.229 31.700 -0.908 0.000 0.835 413 F N 1.399 120.920 119.950 -0.716 0.000 2.581 413 F HA 0.875 5.402 4.527 0.000 0.000 0.311 413 F C 0.228 175.382 175.800 -1.077 0.000 1.113 413 F CA -0.564 56.760 58.000 -1.127 0.000 0.935 413 F CB 1.426 39.945 39.000 -0.802 0.000 1.232 413 F HN 0.570 nan 8.300 nan 0.000 0.445 414 G N 2.767 110.894 108.800 -1.122 0.000 2.563 414 G HA2 0.338 4.298 3.960 0.000 0.000 0.068 414 G HA3 0.338 4.298 3.960 0.000 0.000 0.068 414 G C -2.083 172.909 174.900 0.153 0.000 1.001 414 G CA -0.604 44.286 45.100 -0.350 0.000 1.188 414 G HN 0.776 nan 8.290 nan 0.000 0.512 415 L N 0.821 122.260 121.223 0.360 0.000 2.370 415 L HA 0.729 5.069 4.340 0.000 0.000 0.266 415 L C -0.630 176.492 176.870 0.421 0.000 1.002 415 L CA -0.947 54.147 54.840 0.423 0.000 0.818 415 L CB 2.229 44.446 42.059 0.264 0.000 1.325 415 L HN 0.307 nan 8.230 nan 0.000 0.418 416 M N 4.041 123.827 119.600 0.311 0.000 2.044 416 M HA 0.377 4.857 4.480 0.000 0.000 0.333 416 M C -0.437 176.002 176.300 0.232 0.000 1.004 416 M CA -0.566 54.833 55.300 0.165 0.000 0.954 416 M CB 1.210 33.816 32.600 0.010 0.000 1.468 416 M HN 0.366 nan 8.290 nan 0.000 0.414 417 V N 1.557 121.581 119.914 0.183 0.000 2.975 417 V HA 0.619 4.740 4.120 0.000 0.000 0.318 417 V C 0.836 177.013 176.094 0.139 0.000 1.077 417 V CA -1.028 61.356 62.300 0.139 0.000 1.000 417 V CB 1.644 33.525 31.823 0.096 0.000 1.066 417 V HN 0.871 nan 8.190 nan 0.000 0.452 418 L N 0.205 121.488 121.223 0.100 0.000 3.833 418 L HA -0.191 4.149 4.340 0.000 0.000 0.447 418 L C 0.637 177.601 176.870 0.157 0.000 1.213 418 L CA 0.780 55.677 54.840 0.094 0.000 0.801 418 L CB -1.621 40.466 42.059 0.048 0.000 1.676 418 L HN 1.138 nan 8.230 nan 0.000 0.883 419 A N -0.158 122.805 122.820 0.238 0.000 2.306 419 A HA 0.787 5.107 4.320 0.000 0.000 0.330 419 A C 0.577 178.353 177.584 0.320 0.000 1.146 419 A CA 0.226 52.447 52.037 0.307 0.000 0.827 419 A CB 1.147 20.396 19.000 0.415 0.000 1.178 419 A HN 0.419 nan 8.150 nan 0.000 0.490 420 S N 1.045 116.878 115.700 0.222 0.000 2.681 420 S HA 0.304 4.774 4.470 0.000 0.000 0.270 420 S C 1.097 175.664 174.600 -0.054 0.000 1.209 420 S CA -0.541 57.748 58.200 0.149 0.000 0.988 420 S CB 0.867 64.125 63.200 0.097 0.000 1.006 420 S HN 0.642 nan 8.310 nan 0.000 0.558 421 K N 1.184 121.430 120.400 -0.256 0.000 2.015 421 K HA -0.110 4.210 4.320 0.000 0.000 0.216 421 K C 0.549 177.041 176.600 -0.180 0.000 1.052 421 K CA 1.714 57.730 56.287 -0.451 0.000 0.937 421 K CB -0.840 31.555 32.500 -0.175 0.000 0.719 421 K HN 0.706 nan 8.250 nan 0.000 0.446 422 N N 1.116 119.760 118.700 -0.094 0.000 2.378 422 N HA 0.021 4.761 4.740 0.000 0.000 0.243 422 N C -0.044 175.416 175.510 -0.084 0.000 1.137 422 N CA -0.111 52.889 53.050 -0.083 0.000 0.862 422 N CB 0.341 38.803 38.487 -0.042 0.000 1.116 422 N HN 0.036 nan 8.380 nan 0.000 0.499 423 L N 0.138 121.304 121.223 -0.094 0.000 3.858 423 L HA -0.264 4.076 4.340 0.000 0.000 0.425 423 L C 1.115 178.068 176.870 0.139 0.000 1.177 423 L CA 0.770 55.606 54.840 -0.007 0.000 0.943 423 L CB -1.522 40.408 42.059 -0.214 0.000 1.861 423 L HN 0.166 nan 8.230 nan 0.000 0.985 424 E N -0.314 119.927 120.200 0.069 0.000 2.204 424 E HA -0.024 4.326 4.350 0.000 0.000 0.194 424 E C 0.491 177.106 176.600 0.025 0.000 0.989 424 E CA 1.417 57.843 56.400 0.044 0.000 0.824 424 E CB 0.106 29.820 29.700 0.024 0.000 0.756 424 E HN 0.659 nan 8.360 nan 0.000 0.477 425 E N -1.060 119.177 120.200 0.062 0.000 2.340 425 E HA 0.481 4.831 4.350 0.000 0.000 0.273 425 E C -1.344 175.316 176.600 0.100 0.000 0.891 425 E CA -1.001 55.385 56.400 -0.023 0.000 0.757 425 E CB 2.152 31.859 29.700 0.013 0.000 1.231 425 E HN 0.023 nan 8.360 nan 0.000 0.439 426 Y N -2.568 117.724 120.300 -0.014 0.000 2.661 426 Y HA 0.370 4.920 4.550 0.000 0.000 0.339 426 Y C -1.527 174.357 175.900 -0.028 0.000 1.186 426 Y CA -1.048 57.045 58.100 -0.012 0.000 1.137 426 Y CB 0.750 39.178 38.460 -0.054 0.000 1.354 426 Y HN 0.245 nan 8.280 nan 0.000 0.469 427 T N 2.564 117.228 114.554 0.182 0.000 2.786 427 T HA 0.510 4.860 4.350 0.000 0.000 0.283 427 T C -0.831 173.983 174.700 0.188 0.000 0.992 427 T CA -0.654 61.505 62.100 0.099 0.000 0.954 427 T CB 1.254 70.141 68.868 0.033 0.000 0.934 427 T HN 0.719 nan 8.240 nan 0.000 0.440 428 S N 2.977 118.802 115.700 0.209 0.000 2.429 428 S HA 0.563 5.033 4.470 0.000 0.000 0.302 428 S C -0.399 174.344 174.600 0.237 0.000 1.115 428 S CA -0.583 57.765 58.200 0.246 0.000 1.095 428 S CB 0.258 63.619 63.200 0.268 0.000 0.987 428 S HN 0.480 nan 8.310 nan 0.000 0.474 429 V N 7.786 127.832 119.914 0.221 0.000 2.350 429 V HA 0.568 4.688 4.120 0.000 0.000 0.285 429 V C -0.731 175.381 176.094 0.031 0.000 1.014 429 V CA -0.526 61.789 62.300 0.024 0.000 0.831 429 V CB 0.168 31.985 31.823 -0.010 0.000 1.000 429 V HN 0.879 nan 8.190 nan 0.000 0.433 430 Y N 3.160 123.301 120.300 -0.264 0.000 2.728 430 Y HA 0.875 5.425 4.550 0.000 0.000 0.330 430 Y C -1.742 173.730 175.900 -0.715 0.000 1.234 430 Y CA -1.931 55.871 58.100 -0.497 0.000 1.070 430 Y CB 1.272 39.542 38.460 -0.317 0.000 1.300 430 Y HN 0.292 nan 8.280 nan 0.000 0.467 431 F N 0.907 120.562 119.950 -0.491 0.000 2.556 431 F HA 0.775 5.302 4.527 0.000 0.000 0.327 431 F C -0.160 175.337 175.800 -0.503 0.000 1.059 431 F CA -1.037 56.600 58.000 -0.605 0.000 0.953 431 F CB 2.290 40.756 39.000 -0.890 0.000 1.227 431 F HN 0.545 nan 8.300 nan 0.000 0.478 432 R N 2.543 123.014 120.500 -0.049 0.000 2.522 432 R HA 0.540 4.880 4.340 0.000 0.000 0.283 432 R C -1.979 174.222 176.300 -0.165 0.000 1.074 432 R CA -0.557 55.476 56.100 -0.112 0.000 0.925 432 R CB 1.297 31.567 30.300 -0.050 0.000 1.205 432 R HN 0.491 nan 8.270 nan 0.000 0.436 433 I N 4.818 125.279 120.570 -0.182 0.000 2.359 433 I HA 0.424 4.594 4.170 0.000 0.000 0.294 433 I C -0.412 175.582 176.117 -0.205 0.000 0.987 433 I CA -0.528 60.712 61.300 -0.101 0.000 1.225 433 I CB 0.875 38.863 38.000 -0.021 0.000 1.366 433 I HN 0.479 nan 8.210 nan 0.000 0.466 434 F N 3.812 123.895 119.950 0.221 0.000 2.561 434 F HA 0.472 4.999 4.527 0.000 0.000 0.321 434 F C 0.502 176.454 175.800 0.253 0.000 1.065 434 F CA -0.953 57.175 58.000 0.212 0.000 0.934 434 F CB 1.672 40.786 39.000 0.191 0.000 1.215 434 F HN 0.286 nan 8.300 nan 0.000 0.471 435 K N 1.271 121.904 120.400 0.388 0.000 2.211 435 K HA 0.590 4.911 4.320 0.000 0.000 0.275 435 K C 0.710 177.302 176.600 -0.013 0.000 1.024 435 K CA -0.123 56.234 56.287 0.118 0.000 0.887 435 K CB 1.518 34.071 32.500 0.088 0.000 1.084 435 K HN 0.788 nan 8.250 nan 0.000 0.463 436 A N 4.163 126.894 122.820 -0.147 0.000 1.903 436 A HA -0.193 4.127 4.320 0.000 0.000 0.219 436 A C 0.980 178.497 177.584 -0.112 0.000 1.191 436 A CA 1.664 53.629 52.037 -0.120 0.000 0.638 436 A CB -0.163 18.747 19.000 -0.150 0.000 0.823 436 A HN 0.741 nan 8.150 nan 0.000 0.451 437 R N -2.294 118.132 120.500 -0.123 0.000 2.752 437 R HA 0.405 4.745 4.340 0.000 0.000 0.271 437 R C -0.829 175.423 176.300 -0.079 0.000 1.026 437 R CA -0.512 55.531 56.100 -0.095 0.000 0.901 437 R CB 0.499 30.746 30.300 -0.088 0.000 1.243 437 R HN 0.384 nan 8.270 nan 0.000 0.463 438 Q N 1.707 121.473 119.800 -0.057 0.000 2.300 438 Q HA 0.065 4.405 4.340 0.000 0.000 0.280 438 Q C -0.495 175.484 176.000 -0.034 0.000 1.033 438 Q CA 1.533 57.315 55.803 -0.035 0.000 0.903 438 Q CB 0.022 28.744 28.738 -0.028 0.000 1.195 438 Q HN 0.759 nan 8.270 nan 0.000 0.386 439 N N 0.822 119.511 118.700 -0.019 0.000 2.900 439 N HA -0.258 4.482 4.740 0.000 0.000 0.240 439 N C -0.541 174.948 175.510 -0.035 0.000 0.953 439 N CA 0.550 53.593 53.050 -0.011 0.000 0.950 439 N CB -0.801 37.681 38.487 -0.008 0.000 1.102 439 N HN 0.563 nan 8.380 nan 0.000 0.593 440 S N 0.053 115.703 115.700 -0.084 0.000 2.600 440 S HA 0.213 4.683 4.470 0.000 0.000 0.265 440 S C 0.880 175.364 174.600 -0.194 0.000 1.325 440 S CA 0.037 58.157 58.200 -0.132 0.000 1.002 440 S CB 1.231 64.325 63.200 -0.177 0.000 0.921 440 S HN 0.351 nan 8.310 nan 0.000 0.554 441 N N 1.019 119.626 118.700 -0.155 0.000 2.220 441 N HA 0.177 4.917 4.740 0.000 0.000 0.195 441 N C -0.599 174.806 175.510 -0.173 0.000 1.123 441 N CA 0.092 53.101 53.050 -0.069 0.000 0.874 441 N CB 0.178 38.711 38.487 0.076 0.000 0.995 441 N HN 0.492 nan 8.380 nan 0.000 0.498 442 K N 0.361 120.581 120.400 -0.299 0.000 2.205 442 K HA 0.217 4.537 4.320 0.000 0.000 0.279 442 K C -1.147 175.169 176.600 -0.474 0.000 1.027 442 K CA -0.235 55.926 56.287 -0.210 0.000 0.932 442 K CB 0.971 33.403 32.500 -0.114 0.000 1.032 442 K HN 0.045 nan 8.250 nan 0.000 0.466 443 Y N -0.003 120.320 120.300 0.039 0.000 2.499 443 Y HA 0.329 4.879 4.550 0.000 0.000 0.347 443 Y C -0.240 175.688 175.900 0.046 0.000 0.987 443 Y CA -1.131 56.991 58.100 0.038 0.000 1.044 443 Y CB 1.753 40.211 38.460 -0.005 0.000 1.245 443 Y HN 0.142 nan 8.280 nan 0.000 0.461 444 V N 3.713 123.777 119.914 0.250 0.000 2.398 444 V HA 0.409 4.529 4.120 0.000 0.000 0.286 444 V C -0.626 175.640 176.094 0.287 0.000 1.026 444 V CA -0.856 61.564 62.300 0.200 0.000 0.868 444 V CB 1.331 33.254 31.823 0.167 0.000 0.982 444 V HN 0.520 nan 8.190 nan 0.000 0.443 445 V N 6.539 126.593 119.914 0.235 0.000 2.347 445 V HA 0.440 4.560 4.120 0.000 0.000 0.280 445 V C -0.254 176.042 176.094 0.337 0.000 1.021 445 V CA -0.496 61.929 62.300 0.208 0.000 0.847 445 V CB 1.462 33.324 31.823 0.065 0.000 0.990 445 V HN 0.674 nan 8.190 nan 0.000 0.444 446 L N 5.923 127.344 121.223 0.329 0.000 2.317 446 L HA 0.699 5.039 4.340 0.000 0.000 0.281 446 L C -0.409 176.533 176.870 0.121 0.000 1.024 446 L CA -0.192 54.805 54.840 0.261 0.000 0.810 446 L CB 1.492 43.733 42.059 0.303 0.000 1.240 446 L HN 0.759 nan 8.230 nan 0.000 0.427 447 M N 5.294 124.873 119.600 -0.036 0.000 2.227 447 M HA 0.503 4.983 4.480 0.000 0.000 0.335 447 M C -1.665 174.401 176.300 -0.390 0.000 1.053 447 M CA -0.252 54.917 55.300 -0.219 0.000 0.973 447 M CB 0.979 33.497 32.600 -0.137 0.000 1.623 447 M HN 0.734 nan 8.290 nan 0.000 0.434 448 c N 1.887 120.091 118.600 -0.659 0.000 2.493 448 c HA 0.713 5.284 4.570 0.000 0.000 0.326 448 c C -0.033 173.736 174.090 -0.535 0.000 1.200 448 c CA -0.709 55.221 56.329 -0.665 0.000 1.739 448 c CB 1.790 43.678 42.510 -1.038 0.000 2.300 448 c HN 0.830 nan 8.230 nan 0.000 0.500 449 S N 1.649 117.183 115.700 -0.277 0.000 2.653 449 S HA 0.300 4.770 4.470 0.000 0.000 0.272 449 S C -1.263 173.260 174.600 -0.128 0.000 1.221 449 S CA -0.208 57.907 58.200 -0.142 0.000 1.149 449 S CB 0.028 63.215 63.200 -0.023 0.000 1.029 449 S HN 0.820 nan 8.310 nan 0.000 0.481 450 D N 3.205 123.574 120.400 -0.052 0.000 2.329 450 D HA 0.262 4.903 4.640 0.000 0.000 0.232 450 D C 0.264 176.530 176.300 -0.056 0.000 1.088 450 D CA -0.301 53.681 54.000 -0.030 0.000 0.835 450 D CB 1.185 42.066 40.800 0.135 0.000 1.078 450 D HN 0.594 nan 8.370 nan 0.000 0.495 451 Q N 1.993 121.707 119.800 -0.142 0.000 2.165 451 Q HA 0.072 4.412 4.340 0.000 0.000 0.245 451 Q C 1.028 176.926 176.000 -0.170 0.000 0.841 451 Q CA -0.184 55.527 55.803 -0.152 0.000 1.078 451 Q CB 0.033 28.674 28.738 -0.161 0.000 1.169 451 Q HN 0.378 nan 8.270 nan 0.000 0.475 452 S N 1.093 116.698 115.700 -0.158 0.000 2.419 452 S HA -0.066 4.404 4.470 0.000 0.000 0.233 452 S C 1.433 175.914 174.600 -0.199 0.000 1.016 452 S CA 0.557 58.667 58.200 -0.150 0.000 0.974 452 S CB -0.132 63.003 63.200 -0.108 0.000 0.786 452 S HN 0.384 nan 8.310 nan 0.000 0.492 453 R N 1.029 121.336 120.500 -0.322 0.000 2.662 453 R HA 0.279 4.619 4.340 0.000 0.000 0.396 453 R C 1.310 177.342 176.300 -0.447 0.000 1.096 453 R CA 0.547 56.374 56.100 -0.454 0.000 1.081 453 R CB 0.372 30.191 30.300 -0.801 0.000 1.382 453 R HN 0.610 nan 8.270 nan 0.000 0.580 454 S N -0.834 114.703 115.700 -0.272 0.000 2.453 454 S HA 0.002 4.472 4.470 0.000 0.000 0.231 454 S C 0.903 175.441 174.600 -0.103 0.000 1.005 454 S CA 0.226 58.321 58.200 -0.175 0.000 0.949 454 S CB 0.296 63.418 63.200 -0.129 0.000 0.774 454 S HN 0.115 nan 8.310 nan 0.000 0.510 455 S N -1.100 114.545 115.700 -0.092 0.000 2.537 455 S HA 0.553 5.023 4.470 0.000 0.000 0.271 455 S C 0.185 174.762 174.600 -0.038 0.000 1.148 455 S CA -0.842 57.338 58.200 -0.034 0.000 0.868 455 S CB 0.893 64.095 63.200 0.002 0.000 1.115 455 S HN 0.253 nan 8.310 nan 0.000 0.461 456 L N 1.835 123.053 121.223 -0.009 0.000 2.217 456 L HA 0.188 4.528 4.340 0.000 0.000 0.211 456 L C 1.357 178.221 176.870 -0.010 0.000 1.107 456 L CA 0.746 55.579 54.840 -0.011 0.000 0.783 456 L CB -0.234 41.830 42.059 0.008 0.000 0.919 456 L HN 0.554 nan 8.230 nan 0.000 0.442 457 K N 1.232 121.632 120.400 0.000 0.000 2.379 457 K HA -0.007 4.313 4.320 0.000 0.000 0.284 457 K C 0.729 177.312 176.600 -0.029 0.000 1.044 457 K CA 0.019 56.300 56.287 -0.009 0.000 0.974 457 K CB 0.725 33.223 32.500 -0.003 0.000 0.962 457 K HN 0.147 nan 8.250 nan 0.000 0.474 458 E N 2.475 122.655 120.200 -0.033 0.000 2.299 458 E HA -0.110 4.240 4.350 0.000 0.000 0.193 458 E C 0.335 176.906 176.600 -0.047 0.000 0.998 458 E CA 0.439 56.815 56.400 -0.040 0.000 0.851 458 E CB 0.240 29.919 29.700 -0.035 0.000 0.795 458 E HN 0.615 nan 8.360 nan 0.000 0.492 459 D N 1.161 121.529 120.400 -0.053 0.000 2.350 459 D HA -0.035 4.605 4.640 0.000 0.000 0.216 459 D C -0.029 176.222 176.300 -0.081 0.000 0.968 459 D CA 0.494 54.455 54.000 -0.065 0.000 0.894 459 D CB -0.275 40.481 40.800 -0.073 0.000 0.909 459 D HN 0.125 nan 8.370 nan 0.000 0.520 460 N N 0.893 119.546 118.700 -0.078 0.000 2.518 460 N HA 0.049 4.789 4.740 0.000 0.000 0.266 460 N C -0.305 175.179 175.510 -0.042 0.000 1.196 460 N CA -0.297 52.712 53.050 -0.068 0.000 0.947 460 N CB 0.734 39.215 38.487 -0.011 0.000 1.098 460 N HN -0.106 nan 8.380 nan 0.000 0.450 461 D N 1.436 121.821 120.400 -0.025 0.000 2.344 461 D HA 0.028 4.668 4.640 0.000 0.000 0.253 461 D C -0.485 175.789 176.300 -0.043 0.000 1.255 461 D CA 0.036 54.020 54.000 -0.027 0.000 0.894 461 D CB 0.381 41.177 40.800 -0.006 0.000 1.067 461 D HN 0.368 nan 8.370 nan 0.000 0.492 462 K N 2.360 122.714 120.400 -0.078 0.000 2.675 462 K HA 0.133 4.453 4.320 0.000 0.000 0.213 462 K C 0.201 176.686 176.600 -0.192 0.000 1.074 462 K CA -0.359 55.854 56.287 -0.124 0.000 1.172 462 K CB 0.344 32.777 32.500 -0.112 0.000 0.927 462 K HN 0.311 nan 8.250 nan 0.000 0.471 463 T N 1.865 116.293 114.554 -0.210 0.000 2.946 463 T HA -0.034 4.317 4.350 0.000 0.000 0.312 463 T C 0.460 174.810 174.700 -0.583 0.000 1.066 463 T CA 0.578 62.504 62.100 -0.291 0.000 1.138 463 T CB 0.627 69.375 68.868 -0.199 0.000 1.014 463 T HN 0.100 nan 8.240 nan 0.000 0.544 464 T N 3.265 117.544 114.554 -0.457 0.000 2.875 464 T HA 0.502 4.852 4.350 0.000 0.000 0.284 464 T C -0.778 173.644 174.700 -0.463 0.000 0.995 464 T CA -0.369 61.442 62.100 -0.482 0.000 1.060 464 T CB 0.304 69.036 68.868 -0.226 0.000 0.967 464 T HN 0.365 nan 8.240 nan 0.000 0.476 465 Y N 0.298 120.533 120.300 -0.109 0.000 2.528 465 Y HA 0.745 5.296 4.550 0.000 0.000 0.335 465 Y C 0.697 176.486 175.900 -0.184 0.000 1.093 465 Y CA -1.292 56.731 58.100 -0.128 0.000 1.134 465 Y CB 1.899 40.291 38.460 -0.114 0.000 1.253 465 Y HN 0.839 nan 8.280 nan 0.000 0.478 466 G N -0.323 108.463 108.800 -0.025 0.000 2.718 466 G HA2 0.772 4.732 3.960 0.000 0.000 0.295 466 G HA3 0.772 4.732 3.960 0.000 0.000 0.295 466 G C -2.025 172.657 174.900 -0.364 0.000 1.421 466 G CA -0.599 44.372 45.100 -0.216 0.000 0.902 466 G HN 0.880 nan 8.290 nan 0.000 0.501 467 A N 0.337 122.864 122.820 -0.487 0.000 2.589 467 A HA 0.760 5.080 4.320 0.000 0.000 0.296 467 A C -1.232 176.066 177.584 -0.477 0.000 1.062 467 A CA -0.773 50.831 52.037 -0.722 0.000 0.686 467 A CB 0.785 19.264 19.000 -0.868 0.000 1.282 467 A HN 0.682 nan 8.150 nan 0.000 0.404 468 F N 0.745 120.550 119.950 -0.242 0.000 2.410 468 F HA 0.493 5.020 4.527 0.000 0.000 0.334 468 F C 0.451 176.227 175.800 -0.040 0.000 1.134 468 F CA -0.235 57.721 58.000 -0.074 0.000 1.227 468 F CB 1.531 40.508 39.000 -0.038 0.000 1.194 468 F HN 0.286 nan 8.300 nan 0.000 0.571 469 V N 1.253 121.319 119.914 0.253 0.000 2.444 469 V HA 0.109 4.230 4.120 0.000 0.000 0.294 469 V C -0.642 175.541 176.094 0.150 0.000 1.022 469 V CA -0.892 61.518 62.300 0.184 0.000 0.850 469 V CB 1.538 33.487 31.823 0.210 0.000 0.992 469 V HN 0.630 nan 8.190 nan 0.000 0.426 470 D N 5.737 126.217 120.400 0.132 0.000 2.600 470 D HA 0.355 4.995 4.640 0.000 0.000 0.226 470 D C -0.148 176.208 176.300 0.093 0.000 1.119 470 D CA 0.153 54.216 54.000 0.105 0.000 1.051 470 D CB -0.265 40.599 40.800 0.107 0.000 1.106 470 D HN 0.623 nan 8.370 nan 0.000 0.491 471 I N -1.602 119.015 120.570 0.079 0.000 2.894 471 I HA 0.473 4.644 4.170 0.000 0.000 0.302 471 I C -0.876 175.275 176.117 0.057 0.000 1.188 471 I CA -1.299 60.037 61.300 0.061 0.000 1.014 471 I CB 1.936 39.955 38.000 0.032 0.000 1.242 471 I HN -0.185 nan 8.210 nan 0.000 0.430 472 N N 4.386 123.127 118.700 0.068 0.000 2.414 472 N HA 0.378 5.118 4.740 0.000 0.000 0.256 472 N C -2.010 173.525 175.510 0.043 0.000 1.029 472 N CA -2.073 51.036 53.050 0.098 0.000 0.948 472 N CB 1.658 40.235 38.487 0.150 0.000 1.102 472 N HN 0.426 nan 8.380 nan 0.000 0.496 473 P HA -0.116 nan 4.420 nan 0.000 0.221 473 P C 0.858 178.055 177.300 -0.172 0.000 1.145 473 P CA 1.078 64.087 63.100 -0.151 0.000 0.795 473 P CB 0.120 31.654 31.700 -0.278 0.000 0.775 474 H N -1.197 117.849 119.070 -0.040 0.000 2.489 474 H HA -0.009 4.548 4.556 0.000 0.000 0.295 474 H C 0.664 175.980 175.328 -0.021 0.000 1.082 474 H CA 1.096 57.125 56.048 -0.031 0.000 1.295 474 H CB -0.021 29.748 29.762 0.012 0.000 1.380 474 H HN 0.290 nan 8.280 nan 0.000 0.548 475 Q N -0.106 119.746 119.800 0.087 0.000 2.248 475 Q HA 0.321 4.661 4.340 0.000 0.000 0.263 475 Q C -2.404 173.610 176.000 0.022 0.000 1.007 475 Q CA -2.084 53.751 55.803 0.053 0.000 0.877 475 Q CB 1.027 29.797 28.738 0.054 0.000 1.315 475 Q HN 0.016 nan 8.270 nan 0.000 0.454 476 P HA -0.020 nan 4.420 nan 0.000 0.264 476 P C -1.167 176.160 177.300 0.044 0.000 1.193 476 P CA 0.011 63.134 63.100 0.038 0.000 0.763 476 P CB 0.380 32.101 31.700 0.036 0.000 0.810 477 L N 2.656 123.920 121.223 0.068 0.000 2.290 477 L HA 0.287 4.627 4.340 0.000 0.000 0.284 477 L C 0.931 177.907 176.870 0.177 0.000 1.078 477 L CA 0.474 55.314 54.840 -0.000 0.000 0.815 477 L CB 0.638 42.544 42.059 -0.254 0.000 1.162 477 L HN 0.272 nan 8.230 nan 0.000 0.435 478 S N 3.425 119.235 115.700 0.182 0.000 2.525 478 S HA 0.776 5.246 4.470 0.000 0.000 0.278 478 S C -0.800 174.091 174.600 0.484 0.000 1.234 478 S CA -0.492 57.875 58.200 0.279 0.000 1.058 478 S CB 0.653 63.976 63.200 0.204 0.000 0.983 478 S HN 0.465 nan 8.310 nan 0.000 0.495 479 L N 4.840 126.329 121.223 0.443 0.000 2.493 479 L HA 0.675 5.015 4.340 0.000 0.000 0.265 479 L C -0.819 176.248 176.870 0.328 0.000 0.954 479 L CA -0.299 54.798 54.840 0.429 0.000 0.844 479 L CB 1.985 44.305 42.059 0.435 0.000 1.302 479 L HN 0.808 nan 8.230 nan 0.000 0.405 480 R N 3.848 124.554 120.500 0.342 0.000 2.686 480 R HA 0.967 5.307 4.340 0.000 0.000 0.283 480 R C -1.871 174.596 176.300 0.280 0.000 0.978 480 R CA -0.375 55.910 56.100 0.308 0.000 0.897 480 R CB 2.087 32.567 30.300 0.299 0.000 1.192 480 R HN 0.867 nan 8.270 nan 0.000 0.457 481 A N 4.890 127.844 122.820 0.223 0.000 2.408 481 A HA 0.470 4.790 4.320 0.000 0.000 0.295 481 A C -1.477 176.228 177.584 0.202 0.000 1.040 481 A CA -0.691 51.456 52.037 0.184 0.000 0.707 481 A CB 1.321 20.394 19.000 0.121 0.000 1.235 481 A HN 0.636 nan 8.150 nan 0.000 0.418 482 L N 3.370 124.735 121.223 0.237 0.000 2.265 482 L HA 0.487 4.827 4.340 0.000 0.000 0.289 482 L C -0.717 176.311 176.870 0.264 0.000 1.033 482 L CA -0.244 54.779 54.840 0.305 0.000 0.814 482 L CB 1.121 43.418 42.059 0.398 0.000 1.203 482 L HN 0.595 nan 8.230 nan 0.000 0.423 483 I N 3.344 124.070 120.570 0.260 0.000 2.354 483 I HA 0.275 4.445 4.170 0.000 0.000 0.292 483 I C -0.483 175.723 176.117 0.149 0.000 0.989 483 I CA -0.073 61.313 61.300 0.145 0.000 1.188 483 I CB 1.557 39.612 38.000 0.092 0.000 1.342 483 I HN 0.482 nan 8.210 nan 0.000 0.457 484 D N 4.994 125.395 120.400 0.002 0.000 2.714 484 D HA 0.239 4.880 4.640 0.000 0.000 0.264 484 D C 0.309 176.650 176.300 0.068 0.000 1.231 484 D CA -0.192 53.786 54.000 -0.036 0.000 0.802 484 D CB 0.096 40.682 40.800 -0.357 0.000 1.319 484 D HN 0.676 nan 8.370 nan 0.000 0.528 485 H N -0.068 118.993 119.070 -0.015 0.000 5.009 485 H HA -0.303 4.253 4.556 0.000 0.000 0.059 485 H C 1.258 176.603 175.328 0.029 0.000 0.567 485 H CA 2.634 58.702 56.048 0.035 0.000 0.993 485 H CB -1.248 28.547 29.762 0.056 0.000 0.557 485 H HN 0.360 nan 8.280 nan 0.000 0.791 486 S N -0.231 115.514 115.700 0.076 0.000 2.780 486 S HA 0.534 5.004 4.470 0.000 0.000 0.248 486 S C -0.028 174.407 174.600 -0.275 0.000 1.036 486 S CA 0.191 58.294 58.200 -0.161 0.000 1.061 486 S CB 1.327 64.441 63.200 -0.144 0.000 1.037 486 S HN 0.436 nan 8.310 nan 0.000 0.584 487 V N 1.137 120.924 119.914 -0.212 0.000 2.841 487 V HA 0.784 4.904 4.120 0.000 0.000 0.310 487 V C -1.674 174.320 176.094 -0.167 0.000 1.090 487 V CA -0.591 61.562 62.300 -0.246 0.000 0.930 487 V CB 2.093 33.666 31.823 -0.416 0.000 1.014 487 V HN 0.216 nan 8.190 nan 0.000 0.425 488 V N 5.857 125.706 119.914 -0.110 0.000 2.577 488 V HA 0.571 4.691 4.120 0.000 0.000 0.303 488 V C -0.534 175.528 176.094 -0.055 0.000 1.042 488 V CA -0.562 61.711 62.300 -0.044 0.000 0.872 488 V CB 1.929 33.734 31.823 -0.031 0.000 0.998 488 V HN 0.948 nan 8.190 nan 0.000 0.423 489 E N 2.707 122.896 120.200 -0.019 0.000 2.141 489 E HA 0.479 4.830 4.350 0.000 0.000 0.259 489 E C -0.927 175.497 176.600 -0.292 0.000 0.883 489 E CA -0.341 55.965 56.400 -0.158 0.000 0.744 489 E CB 1.807 31.520 29.700 0.023 0.000 1.150 489 E HN 0.620 nan 8.360 nan 0.000 0.420 490 S N 2.756 118.187 115.700 -0.447 0.000 2.462 490 S HA 0.501 4.971 4.470 0.000 0.000 0.294 490 S C -0.682 173.560 174.600 -0.596 0.000 1.144 490 S CA -0.612 57.383 58.200 -0.341 0.000 1.088 490 S CB 0.402 63.485 63.200 -0.195 0.000 1.009 490 S HN 0.293 nan 8.310 nan 0.000 0.484 491 F N 1.348 121.310 119.950 0.020 0.000 2.460 491 F HA 0.569 5.096 4.527 0.000 0.000 0.341 491 F C 0.799 176.722 175.800 0.204 0.000 1.130 491 F CA -0.664 57.395 58.000 0.098 0.000 0.962 491 F CB 1.578 40.623 39.000 0.076 0.000 1.171 491 F HN 0.669 nan 8.300 nan 0.000 0.436 492 G N 0.551 109.554 108.800 0.339 0.000 2.389 492 G HA2 0.462 4.422 3.960 0.000 0.000 0.328 492 G HA3 0.462 4.422 3.960 0.000 0.000 0.328 492 G C 0.520 175.663 174.900 0.405 0.000 1.133 492 G CA -0.480 44.874 45.100 0.423 0.000 0.891 492 G HN 1.163 nan 8.290 nan 0.000 0.485 493 G N 1.316 110.351 108.800 0.392 0.000 2.366 493 G HA2 -0.229 3.731 3.960 0.000 0.000 0.299 493 G HA3 -0.229 3.731 3.960 0.000 0.000 0.299 493 G C 0.680 175.706 174.900 0.211 0.000 1.020 493 G CA 0.486 45.730 45.100 0.240 0.000 1.026 493 G HN 1.199 nan 8.290 nan 0.000 0.512 494 K N -2.458 118.092 120.400 0.250 0.000 3.071 494 K HA -0.236 4.084 4.320 0.000 0.000 0.265 494 K C 1.560 178.277 176.600 0.194 0.000 1.060 494 K CA 1.846 58.176 56.287 0.072 0.000 0.767 494 K CB -1.936 30.485 32.500 -0.131 0.000 1.241 494 K HN 2.427 nan 8.250 nan 0.000 0.486 495 G N -0.395 108.705 108.800 0.499 0.000 2.144 495 G HA2 -0.329 3.631 3.960 0.000 0.000 0.218 495 G HA3 -0.329 3.631 3.960 0.000 0.000 0.218 495 G C 0.751 175.794 174.900 0.238 0.000 0.988 495 G CA 0.376 45.760 45.100 0.474 0.000 0.659 495 G HN 0.403 nan 8.290 nan 0.000 0.522 496 R N 0.098 120.725 120.500 0.211 0.000 2.275 496 R HA 0.502 4.843 4.340 0.000 0.000 0.199 496 R C 1.060 177.473 176.300 0.187 0.000 0.989 496 R CA 1.119 57.315 56.100 0.160 0.000 1.016 496 R CB 0.333 30.721 30.300 0.147 0.000 0.918 496 R HN 0.784 nan 8.270 nan 0.000 0.473 497 A N 0.259 123.203 122.820 0.207 0.000 2.429 497 A HA 0.483 4.803 4.320 0.000 0.000 0.289 497 A C -1.073 176.579 177.584 0.114 0.000 1.043 497 A CA -0.744 51.389 52.037 0.161 0.000 0.722 497 A CB 1.049 20.112 19.000 0.105 0.000 1.243 497 A HN 0.159 nan 8.150 nan 0.000 0.415 498 C N 2.229 121.567 119.300 0.063 0.000 2.455 498 C HA 0.812 5.272 4.460 0.000 0.000 0.320 498 C C -0.212 174.657 174.990 -0.201 0.000 1.226 498 C CA -0.504 58.406 59.018 -0.180 0.000 1.569 498 C CB 0.316 27.925 27.740 -0.218 0.000 2.200 498 C HN 0.704 nan 8.230 nan 0.000 0.491 499 I N 2.270 122.643 120.570 -0.328 0.000 2.534 499 I HA 0.299 4.469 4.170 0.000 0.000 0.286 499 I C -0.339 175.618 176.117 -0.267 0.000 1.094 499 I CA 0.134 61.288 61.300 -0.243 0.000 1.055 499 I CB 1.975 39.894 38.000 -0.136 0.000 1.225 499 I HN 0.572 nan 8.210 nan 0.000 0.435 500 T N 4.128 118.529 114.554 -0.254 0.000 2.794 500 T HA 0.590 4.940 4.350 0.000 0.000 0.280 500 T C -0.144 174.498 174.700 -0.097 0.000 0.987 500 T CA -0.603 61.399 62.100 -0.163 0.000 0.993 500 T CB 1.431 70.247 68.868 -0.086 0.000 0.939 500 T HN 0.706 nan 8.240 nan 0.000 0.449 501 S N 3.016 118.709 115.700 -0.010 0.000 2.595 501 S HA 0.784 5.254 4.470 0.000 0.000 0.281 501 S C -1.248 173.336 174.600 -0.027 0.000 1.117 501 S CA -1.285 56.980 58.200 0.108 0.000 0.873 501 S CB 1.796 65.113 63.200 0.195 0.000 1.108 501 S HN 0.413 nan 8.310 nan 0.000 0.477 502 R N 1.168 121.645 120.500 -0.038 0.000 2.437 502 R HA 0.730 5.070 4.340 0.000 0.000 0.310 502 R C -0.685 175.425 176.300 -0.317 0.000 0.955 502 R CA -0.681 55.296 56.100 -0.204 0.000 0.851 502 R CB 1.282 31.518 30.300 -0.107 0.000 1.161 502 R HN 0.869 nan 8.270 nan 0.000 0.446 503 V N 0.012 119.589 119.914 -0.562 0.000 2.962 503 V HA 0.635 4.755 4.120 0.000 0.000 0.313 503 V C -1.143 174.415 176.094 -0.893 0.000 1.099 503 V CA -0.972 61.035 62.300 -0.489 0.000 0.971 503 V CB 2.307 33.995 31.823 -0.223 0.000 1.028 503 V HN 0.692 nan 8.190 nan 0.000 0.430 504 Y N 2.968 123.101 120.300 -0.277 0.000 2.511 504 Y HA 0.482 5.032 4.550 0.000 0.000 0.356 504 Y C -2.497 173.299 175.900 -0.174 0.000 1.002 504 Y CA -2.298 55.453 58.100 -0.582 0.000 1.127 504 Y CB 1.164 39.043 38.460 -0.969 0.000 1.137 504 Y HN 0.512 nan 8.280 nan 0.000 0.652 505 P HA 0.025 nan 4.420 nan 0.000 0.268 505 P C 0.295 177.757 177.300 0.270 0.000 1.205 505 P CA -0.043 63.152 63.100 0.159 0.000 0.771 505 P CB 1.853 33.629 31.700 0.127 0.000 0.858 506 K N 1.753 122.261 120.400 0.180 0.000 2.262 506 K HA 0.140 4.460 4.320 0.000 0.000 0.200 506 K C 1.696 178.375 176.600 0.132 0.000 1.049 506 K CA 1.187 57.577 56.287 0.173 0.000 0.979 506 K CB -0.223 32.345 32.500 0.113 0.000 0.773 506 K HN 0.416 nan 8.250 nan 0.000 0.474 507 L N -1.396 119.898 121.223 0.119 0.000 2.433 507 L HA 0.319 4.659 4.340 0.000 0.000 0.200 507 L C 0.857 177.806 176.870 0.130 0.000 1.059 507 L CA 0.099 55.004 54.840 0.108 0.000 0.835 507 L CB -0.178 41.935 42.059 0.091 0.000 1.076 507 L HN -0.137 nan 8.230 nan 0.000 0.481 508 A N 1.779 124.685 122.820 0.143 0.000 3.052 508 A HA 0.409 4.729 4.320 0.000 0.000 0.266 508 A C 0.020 177.687 177.584 0.138 0.000 1.855 508 A CA 0.240 52.371 52.037 0.158 0.000 1.473 508 A CB -1.415 17.681 19.000 0.159 0.000 1.038 508 A HN 0.267 nan 8.150 nan 0.000 0.619 509 I N 0.058 120.701 120.570 0.122 0.000 2.569 509 I HA 0.547 4.717 4.170 0.000 0.000 0.296 509 I C 1.315 177.478 176.117 0.078 0.000 1.028 509 I CA -0.110 61.256 61.300 0.110 0.000 1.082 509 I CB 1.888 39.941 38.000 0.088 0.000 1.264 509 I HN 0.661 nan 8.210 nan 0.000 0.429 510 G N 5.027 113.881 108.800 0.090 0.000 2.685 510 G HA2 -0.389 3.571 3.960 0.000 0.000 0.329 510 G HA3 -0.389 3.571 3.960 0.000 0.000 0.329 510 G C 0.820 175.727 174.900 0.012 0.000 1.271 510 G CA 0.949 46.095 45.100 0.076 0.000 1.003 510 G HN 0.696 nan 8.290 nan 0.000 0.549 511 K N 0.579 120.988 120.400 0.014 0.000 2.288 511 K HA 0.174 4.494 4.320 0.000 0.000 0.201 511 K C 2.566 179.133 176.600 -0.055 0.000 1.048 511 K CA 1.205 57.478 56.287 -0.023 0.000 0.956 511 K CB -0.057 32.443 32.500 0.000 0.000 0.746 511 K HN 0.234 nan 8.250 nan 0.000 0.461 512 S N 0.951 116.658 115.700 0.011 0.000 2.650 512 S HA 0.003 4.473 4.470 0.000 0.000 0.219 512 S C 0.379 175.055 174.600 0.127 0.000 0.960 512 S CA -0.094 58.156 58.200 0.084 0.000 0.925 512 S CB -0.110 63.167 63.200 0.128 0.000 0.775 512 S HN 0.328 nan 8.310 nan 0.000 0.525 513 S N 1.186 116.881 115.700 -0.007 0.000 2.616 513 S HA 0.623 5.093 4.470 0.000 0.000 0.277 513 S C -0.719 173.795 174.600 -0.144 0.000 1.234 513 S CA -0.672 57.568 58.200 0.067 0.000 1.028 513 S CB 0.893 64.100 63.200 0.012 0.000 0.988 513 S HN 0.366 nan 8.310 nan 0.000 0.522 514 H N -0.108 118.963 119.070 0.001 0.000 2.894 514 H HA 0.761 5.317 4.556 0.000 0.000 0.368 514 H C -1.068 174.127 175.328 -0.221 0.000 1.181 514 H CA -0.820 55.131 56.048 -0.160 0.000 1.146 514 H CB 1.302 30.974 29.762 -0.150 0.000 1.839 514 H HN 0.620 nan 8.280 nan 0.000 0.557 515 L N 1.666 122.646 121.223 -0.405 0.000 2.365 515 L HA 0.629 4.969 4.340 0.000 0.000 0.273 515 L C -1.854 174.641 176.870 -0.625 0.000 1.000 515 L CA -0.360 54.298 54.840 -0.304 0.000 0.819 515 L CB 0.580 42.521 42.059 -0.196 0.000 1.284 515 L HN 0.516 nan 8.230 nan 0.000 0.418 516 F N 3.014 122.976 119.950 0.019 0.000 2.599 516 F HA 0.834 5.361 4.527 0.000 0.000 0.311 516 F C -0.009 175.863 175.800 0.120 0.000 1.076 516 F CA -0.540 57.477 58.000 0.027 0.000 0.937 516 F CB 2.137 41.133 39.000 -0.006 0.000 1.282 516 F HN 0.607 nan 8.300 nan 0.000 0.460 517 A N 2.394 125.417 122.820 0.339 0.000 2.318 517 A HA 0.885 5.205 4.320 0.000 0.000 0.324 517 A C -1.367 176.423 177.584 0.343 0.000 1.170 517 A CA -0.479 51.753 52.037 0.325 0.000 0.810 517 A CB 0.578 19.713 19.000 0.226 0.000 1.198 517 A HN 0.778 nan 8.150 nan 0.000 0.484 518 F N 0.594 120.571 119.950 0.044 0.000 2.662 518 F HA 0.829 5.356 4.527 0.000 0.000 0.312 518 F C -1.055 174.628 175.800 -0.196 0.000 1.113 518 F CA -1.118 56.789 58.000 -0.154 0.000 0.951 518 F CB 1.889 40.600 39.000 -0.483 0.000 1.344 518 F HN 0.428 nan 8.300 nan 0.000 0.462 519 N N 1.154 119.678 118.700 -0.293 0.000 2.629 519 N HA 0.270 5.010 4.740 0.000 0.000 0.277 519 N C -1.775 173.756 175.510 0.035 0.000 1.188 519 N CA -0.601 52.283 53.050 -0.277 0.000 0.835 519 N CB 0.461 38.852 38.487 -0.159 0.000 1.420 519 N HN 0.812 nan 8.380 nan 0.000 0.542 520 Y N 0.861 121.160 120.300 -0.002 0.000 2.571 520 Y HA 0.356 4.906 4.550 0.000 0.000 0.275 520 Y C 1.603 177.411 175.900 -0.154 0.000 1.179 520 Y CA -0.841 57.242 58.100 -0.028 0.000 1.242 520 Y CB 0.899 39.362 38.460 0.005 0.000 1.126 520 Y HN 0.482 nan 8.280 nan 0.000 0.524 521 G N -0.957 107.831 108.800 -0.020 0.000 2.528 521 G HA2 0.083 4.043 3.960 0.000 0.000 0.289 521 G HA3 0.083 4.043 3.960 0.000 0.000 0.289 521 G C -0.045 174.785 174.900 -0.117 0.000 1.192 521 G CA -0.359 44.655 45.100 -0.143 0.000 0.921 521 G HN 0.355 nan 8.290 nan 0.000 0.512 522 Y N -0.577 119.737 120.300 0.023 0.000 2.200 522 Y HA -0.056 4.494 4.550 0.000 0.000 0.290 522 Y C 1.742 177.637 175.900 -0.008 0.000 1.137 522 Y CA 0.569 58.677 58.100 0.012 0.000 1.163 522 Y CB 0.233 38.702 38.460 0.014 0.000 0.988 522 Y HN 0.170 nan 8.280 nan 0.000 0.518 523 Q N 1.412 121.283 119.800 0.119 0.000 2.267 523 Q HA 0.150 4.490 4.340 0.000 0.000 0.255 523 Q C 0.090 176.062 176.000 -0.047 0.000 0.923 523 Q CA -0.284 55.535 55.803 0.026 0.000 0.925 523 Q CB 1.397 30.130 28.738 -0.008 0.000 1.195 523 Q HN 0.237 nan 8.270 nan 0.000 0.417 524 S N 0.692 116.364 115.700 -0.047 0.000 2.579 524 S HA 0.456 4.926 4.470 0.000 0.000 0.275 524 S C 0.462 174.965 174.600 -0.160 0.000 1.345 524 S CA -0.748 57.404 58.200 -0.080 0.000 1.031 524 S CB 0.777 63.954 63.200 -0.039 0.000 0.892 524 S HN 0.439 nan 8.310 nan 0.000 0.529 525 V N -1.132 118.652 119.914 -0.217 0.000 2.919 525 V HA 0.674 4.794 4.120 0.000 0.000 0.316 525 V C -1.004 175.010 176.094 -0.133 0.000 1.077 525 V CA -1.062 61.055 62.300 -0.305 0.000 0.977 525 V CB 1.811 33.221 31.823 -0.688 0.000 1.039 525 V HN 0.885 nan 8.190 nan 0.000 0.441 526 D N 1.740 122.089 120.400 -0.084 0.000 2.308 526 D HA 0.428 5.068 4.640 0.000 0.000 0.242 526 D C -0.683 175.649 176.300 0.053 0.000 1.059 526 D CA -0.199 53.795 54.000 -0.010 0.000 0.830 526 D CB 2.374 43.160 40.800 -0.024 0.000 1.161 526 D HN 0.467 nan 8.370 nan 0.000 0.494 527 V N 4.236 124.179 119.914 0.048 0.000 2.299 527 V HA 0.045 4.165 4.120 0.000 0.000 0.255 527 V C 1.837 177.898 176.094 -0.054 0.000 1.100 527 V CA -0.126 62.163 62.300 -0.018 0.000 0.938 527 V CB 0.314 32.124 31.823 -0.021 0.000 1.139 527 V HN 0.505 nan 8.190 nan 0.000 0.490 528 L N 2.685 123.873 121.223 -0.059 0.000 2.012 528 L HA -0.088 4.252 4.340 0.000 0.000 0.210 528 L C 1.084 177.918 176.870 -0.059 0.000 1.073 528 L CA 1.645 56.458 54.840 -0.045 0.000 0.748 528 L CB -0.103 41.937 42.059 -0.031 0.000 0.891 528 L HN 0.740 nan 8.230 nan 0.000 0.431 529 N N -1.448 117.196 118.700 -0.093 0.000 2.598 529 N HA 0.516 5.256 4.740 0.000 0.000 0.263 529 N C -1.921 173.511 175.510 -0.130 0.000 1.254 529 N CA -0.577 52.420 53.050 -0.089 0.000 0.863 529 N CB 1.734 40.188 38.487 -0.056 0.000 1.586 529 N HN -0.107 nan 8.380 nan 0.000 0.491 530 L N 1.752 122.898 121.223 -0.129 0.000 2.543 530 L HA 0.611 4.952 4.340 0.000 0.000 0.265 530 L C -1.789 174.954 176.870 -0.211 0.000 0.945 530 L CA -0.328 54.420 54.840 -0.153 0.000 0.869 530 L CB 1.632 43.606 42.059 -0.140 0.000 1.294 530 L HN 0.729 nan 8.230 nan 0.000 0.405 531 N N 3.813 122.337 118.700 -0.293 0.000 2.399 531 N HA 0.832 5.572 4.740 0.000 0.000 0.280 531 N C -1.130 173.991 175.510 -0.648 0.000 1.008 531 N CA -0.530 52.142 53.050 -0.629 0.000 0.894 531 N CB 2.028 39.905 38.487 -1.016 0.000 1.273 531 N HN 0.820 nan 8.380 nan 0.000 0.486 532 A N 2.711 125.184 122.820 -0.578 0.000 2.287 532 A HA 0.460 4.780 4.320 0.000 0.000 0.317 532 A C -1.256 176.113 177.584 -0.358 0.000 1.220 532 A CA -0.580 51.267 52.037 -0.316 0.000 0.835 532 A CB 0.668 19.560 19.000 -0.179 0.000 1.180 532 A HN 0.645 nan 8.150 nan 0.000 0.500 533 W N 2.453 123.739 121.300 -0.022 0.000 2.417 533 W HA 0.356 5.016 4.660 0.000 0.000 0.315 533 W C -0.169 176.325 176.519 -0.041 0.000 1.045 533 W CA -0.673 56.651 57.345 -0.036 0.000 1.221 533 W CB 1.992 31.421 29.460 -0.052 0.000 1.309 533 W HN 0.629 nan 8.180 nan 0.000 0.453 534 S N 3.805 119.597 115.700 0.154 0.000 2.562 534 S HA 0.281 4.751 4.470 0.000 0.000 0.281 534 S C 0.355 175.000 174.600 0.075 0.000 1.333 534 S CA -0.156 58.099 58.200 0.091 0.000 1.052 534 S CB 0.447 63.682 63.200 0.059 0.000 0.884 534 S HN 0.193 nan 8.310 nan 0.000 0.506 535 M N 3.865 123.490 119.600 0.041 0.000 2.149 535 M HA 0.314 4.794 4.480 0.000 0.000 0.342 535 M C -0.140 176.157 176.300 -0.006 0.000 1.068 535 M CA -0.618 54.632 55.300 -0.084 0.000 0.991 535 M CB 0.946 33.357 32.600 -0.316 0.000 1.596 535 M HN 0.487 nan 8.290 nan 0.000 0.439 536 N N 1.246 119.920 118.700 -0.043 0.000 2.508 536 N HA 0.189 4.929 4.740 0.000 0.000 0.264 536 N C -0.255 175.289 175.510 0.057 0.000 1.216 536 N CA 0.098 53.157 53.050 0.014 0.000 0.943 536 N CB 0.836 39.316 38.487 -0.011 0.000 1.113 536 N HN 0.492 nan 8.380 nan 0.000 0.447 537 S N 0.464 116.228 115.700 0.108 0.000 2.572 537 S HA 0.364 4.834 4.470 0.000 0.000 0.279 537 S C 0.329 174.990 174.600 0.101 0.000 1.341 537 S CA -0.706 57.584 58.200 0.150 0.000 1.043 537 S CB 0.832 64.093 63.200 0.101 0.000 0.887 537 S HN 0.653 nan 8.310 nan 0.000 0.516 538 A N 1.633 124.535 122.820 0.137 0.000 2.294 538 A HA 0.610 4.930 4.320 0.000 0.000 0.330 538 A C -0.252 177.378 177.584 0.076 0.000 1.133 538 A CA -0.684 51.412 52.037 0.098 0.000 0.836 538 A CB 0.652 19.742 19.000 0.149 0.000 1.190 538 A HN 0.610 nan 8.150 nan 0.000 0.492 539 Q N 1.215 121.046 119.800 0.053 0.000 2.423 539 Q HA 0.516 4.856 4.340 0.000 0.000 0.235 539 Q C -1.369 174.682 176.000 0.085 0.000 1.100 539 Q CA 0.578 56.403 55.803 0.037 0.000 0.908 539 Q CB -0.454 28.290 28.738 0.010 0.000 1.312 539 Q HN 0.493 nan 8.270 nan 0.000 0.497 540 I N 2.638 123.256 120.570 0.079 0.000 2.406 540 I HA 0.306 4.476 4.170 0.000 0.000 0.290 540 I C 0.408 176.519 176.117 -0.010 0.000 0.999 540 I CA -0.910 60.471 61.300 0.135 0.000 1.124 540 I CB 1.686 39.749 38.000 0.105 0.000 1.289 540 I HN 0.691 nan 8.210 nan 0.000 0.441 541 S N 0.000 115.741 115.700 0.068 0.000 2.498 541 S HA 0.000 4.470 4.470 0.000 0.000 0.327 541 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 541 S CB 0.000 63.149 63.200 -0.085 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517