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 2xqr_1_C 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 0.000 175.496 175.510 -0.024 0.000 1.280 5 N CA 0.000 53.032 53.050 -0.031 0.000 0.885 5 N CB 0.000 38.475 38.487 -0.020 0.000 1.341 6 Q N 0.989 120.765 119.800 -0.039 0.000 3.075 6 Q HA 0.395 4.734 4.340 -0.000 0.000 0.318 6 Q C -2.102 173.842 176.000 -0.094 0.000 0.907 6 Q CA -1.288 54.518 55.803 0.006 0.000 0.882 6 Q CB 1.837 30.611 28.738 0.060 0.000 1.386 6 Q HN 0.480 nan 8.270 nan 0.000 0.408 7 P HA -0.101 nan 4.420 nan 0.000 0.226 7 P C 0.377 177.530 177.300 -0.244 0.000 1.153 7 P CA 1.087 63.976 63.100 -0.351 0.000 0.777 7 P CB 0.239 31.614 31.700 -0.541 0.000 0.794 8 Y N -0.458 119.960 120.300 0.196 0.000 2.449 8 Y HA 0.252 4.802 4.550 -0.000 0.000 0.254 8 Y C 1.441 177.537 175.900 0.327 0.000 1.140 8 Y CA -0.885 57.398 58.100 0.305 0.000 1.272 8 Y CB -0.476 38.263 38.460 0.465 0.000 1.114 8 Y HN -0.186 nan 8.280 nan 0.000 0.525 9 R N 0.969 121.615 120.500 0.244 0.000 2.590 9 R HA 0.196 4.536 4.340 -0.000 0.000 0.274 9 R C 0.709 176.924 176.300 -0.142 0.000 1.061 9 R CA 0.255 56.249 56.100 -0.176 0.000 1.081 9 R CB 0.376 30.456 30.300 -0.366 0.000 0.984 9 R HN 0.158 nan 8.270 nan 0.000 0.448 10 T N -1.299 113.152 114.554 -0.172 0.000 2.904 10 T HA 0.242 4.591 4.350 -0.000 0.000 0.290 10 T C 1.233 175.922 174.700 -0.019 0.000 1.018 10 T CA -0.497 61.576 62.100 -0.044 0.000 1.075 10 T CB 1.750 70.548 68.868 -0.115 0.000 0.986 10 T HN 0.621 nan 8.240 nan 0.000 0.523 11 G N 0.152 109.026 108.800 0.124 0.000 2.545 11 G HA2 0.182 4.141 3.960 -0.000 0.000 0.212 11 G HA3 0.182 4.141 3.960 -0.000 0.000 0.212 11 G C 0.600 175.634 174.900 0.223 0.000 1.144 11 G CA 0.112 45.321 45.100 0.182 0.000 0.813 11 G HN 0.899 nan 8.290 nan 0.000 0.531 12 F N -1.314 118.719 119.950 0.139 0.000 2.899 12 F HA 0.538 5.065 4.527 -0.000 0.000 0.337 12 F C -0.013 175.810 175.800 0.038 0.000 1.129 12 F CA -1.384 56.658 58.000 0.070 0.000 1.128 12 F CB -0.257 38.749 39.000 0.010 0.000 1.154 12 F HN -0.117 nan 8.300 nan 0.000 0.531 13 H N 0.987 119.942 119.070 -0.192 0.000 2.482 13 H HA 0.350 4.905 4.556 -0.000 0.000 0.344 13 H C -0.903 174.439 175.328 0.025 0.000 1.151 13 H CA -0.728 55.291 56.048 -0.047 0.000 1.300 13 H CB 1.007 30.684 29.762 -0.142 0.000 1.494 13 H HN 0.202 nan 8.280 nan 0.000 0.542 14 F N 3.333 123.320 119.950 0.061 0.000 2.467 14 F HA 0.190 4.717 4.527 -0.000 0.000 0.362 14 F C -0.081 175.580 175.800 -0.231 0.000 1.090 14 F CA 0.050 57.968 58.000 -0.136 0.000 1.202 14 F CB 0.042 38.867 39.000 -0.293 0.000 1.113 14 F HN 0.557 nan 8.300 nan 0.000 0.541 15 Q N 6.553 125.799 119.800 -0.924 0.000 2.527 15 Q HA 0.523 4.863 4.340 -0.000 0.000 0.280 15 Q C -3.214 172.252 176.000 -0.891 0.000 0.977 15 Q CA -2.151 53.178 55.803 -0.790 0.000 0.837 15 Q CB 2.049 30.520 28.738 -0.445 0.000 1.454 15 Q HN 0.277 nan 8.270 nan 0.000 0.387 16 P HA 0.279 nan 4.420 nan 0.000 0.276 16 P C -2.105 175.023 177.300 -0.286 0.000 1.261 16 P CA -1.348 61.474 63.100 -0.464 0.000 0.800 16 P CB 0.053 31.578 31.700 -0.291 0.000 1.066 17 P HA -0.129 nan 4.420 nan 0.000 0.216 17 P C 0.110 177.396 177.300 -0.023 0.000 1.150 17 P CA 1.999 65.026 63.100 -0.122 0.000 0.843 17 P CB 0.047 31.707 31.700 -0.066 0.000 0.787 18 K N -4.280 116.202 120.400 0.137 0.000 2.556 18 K HA 0.439 4.759 4.320 -0.000 0.000 0.289 18 K C -0.964 175.908 176.600 0.453 0.000 1.040 18 K CA -1.023 55.430 56.287 0.277 0.000 0.894 18 K CB 0.857 33.503 32.500 0.244 0.000 1.547 18 K HN -0.314 nan 8.250 nan 0.000 0.417 19 N N -1.034 117.912 118.700 0.410 0.000 6.320 19 N HA -0.215 4.525 4.740 -0.000 0.000 0.402 19 N C -1.328 174.436 175.510 0.423 0.000 1.032 19 N CA 0.639 53.889 53.050 0.334 0.000 2.000 19 N CB -0.446 38.111 38.487 0.118 0.000 0.715 19 N HN 0.742 nan 8.380 nan 0.000 0.530 20 W N 2.043 123.412 121.300 0.114 0.000 2.210 20 W HA 0.441 5.101 4.660 -0.000 0.000 0.330 20 W C -0.260 176.411 176.519 0.254 0.000 1.334 20 W CA -0.057 57.380 57.345 0.154 0.000 1.227 20 W CB 0.241 29.731 29.460 0.050 0.000 1.178 20 W HN 0.568 nan 8.180 nan 0.000 0.560 21 M N 7.895 127.245 119.600 -0.418 0.000 2.393 21 M HA 0.189 4.669 4.480 -0.000 0.000 0.299 21 M C -0.229 175.459 176.300 -1.021 0.000 1.103 21 M CA -0.488 54.617 55.300 -0.326 0.000 0.910 21 M CB 1.516 34.075 32.600 -0.069 0.000 1.659 21 M HN 0.641 nan 8.290 nan 0.000 0.445 22 N N 1.915 120.113 118.700 -0.836 0.000 2.196 22 N HA 0.252 4.992 4.740 -0.000 0.000 0.115 22 N C -1.015 173.821 175.510 -1.124 0.000 1.544 22 N CA -0.309 51.709 53.050 -1.720 0.000 1.134 22 N CB -0.420 37.178 38.487 -1.482 0.000 1.116 22 N HN 0.497 nan 8.380 nan 0.000 0.315 23 D N 3.100 123.095 120.400 -0.674 0.000 2.488 23 D HA 0.199 4.839 4.640 -0.000 0.000 0.238 23 D C -2.090 174.059 176.300 -0.252 0.000 1.138 23 D CA -0.472 53.350 54.000 -0.296 0.000 0.873 23 D CB 0.138 40.834 40.800 -0.174 0.000 1.183 23 D HN 0.290 nan 8.370 nan 0.000 0.458 24 P HA 0.103 nan 4.420 nan 0.000 0.276 24 P C -0.902 176.202 177.300 -0.326 0.000 1.235 24 P CA -0.206 62.714 63.100 -0.300 0.000 0.772 24 P CB 0.659 32.215 31.700 -0.241 0.000 0.871 25 N N 0.908 119.321 118.700 -0.479 0.000 2.272 25 N HA 0.447 5.186 4.740 -0.000 0.000 0.305 25 N C 0.335 175.608 175.510 -0.395 0.000 1.103 25 N CA -0.835 51.812 53.050 -0.672 0.000 0.791 25 N CB 1.273 38.745 38.487 -1.692 0.000 1.356 25 N HN 0.533 nan 8.380 nan 0.000 0.486 26 G N 1.867 110.558 108.800 -0.182 0.000 2.379 26 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.297 26 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.297 26 G C -2.378 172.624 174.900 0.170 0.000 1.004 26 G CA -0.471 44.685 45.100 0.093 0.000 0.921 26 G HN 0.448 nan 8.290 nan 0.000 0.511 27 P HA 0.371 nan 4.420 nan 0.000 0.268 27 P C 0.334 177.442 177.300 -0.320 0.000 1.204 27 P CA 0.389 63.371 63.100 -0.196 0.000 0.768 27 P CB 0.899 32.539 31.700 -0.101 0.000 0.842 28 M N 1.795 121.124 119.600 -0.452 0.000 2.833 28 M HA 0.590 5.070 4.480 -0.000 0.000 0.270 28 M C -1.808 174.594 176.300 0.170 0.000 1.209 28 M CA -1.231 54.019 55.300 -0.084 0.000 0.826 28 M CB 1.808 34.537 32.600 0.215 0.000 1.657 28 M HN 0.103 nan 8.290 nan 0.000 0.492 29 I N 1.479 122.308 120.570 0.431 0.000 2.509 29 I HA 0.769 4.939 4.170 -0.000 0.000 0.293 29 I C -2.139 174.218 176.117 0.399 0.000 1.020 29 I CA -0.248 61.274 61.300 0.371 0.000 1.088 29 I CB 2.039 40.221 38.000 0.304 0.000 1.267 29 I HN 0.700 nan 8.210 nan 0.000 0.430 30 Y N 6.666 127.082 120.300 0.192 0.000 2.348 30 Y HA 0.336 4.886 4.550 -0.000 0.000 0.321 30 Y C -0.293 175.651 175.900 0.074 0.000 1.163 30 Y CA -1.210 56.977 58.100 0.144 0.000 1.070 30 Y CB 1.208 39.765 38.460 0.162 0.000 1.250 30 Y HN 0.684 nan 8.280 nan 0.000 0.425 31 K N 4.588 124.672 120.400 -0.526 0.000 3.077 31 K HA -0.223 4.097 4.320 -0.000 0.000 0.264 31 K C 0.846 177.308 176.600 -0.230 0.000 1.008 31 K CA 1.170 57.203 56.287 -0.422 0.000 0.740 31 K CB -1.585 30.609 32.500 -0.511 0.000 1.273 31 K HN 1.535 nan 8.250 nan 0.000 0.477 32 G N -0.166 108.518 108.800 -0.193 0.000 2.155 32 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.257 32 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.257 32 G C 0.130 174.865 174.900 -0.276 0.000 0.983 32 G CA 0.554 45.522 45.100 -0.219 0.000 0.676 32 G HN 0.442 nan 8.290 nan 0.000 0.528 33 I N 0.327 120.767 120.570 -0.216 0.000 2.418 33 I HA 0.408 4.578 4.170 -0.000 0.000 0.287 33 I C 0.006 176.027 176.117 -0.160 0.000 1.008 33 I CA -1.326 59.862 61.300 -0.186 0.000 1.104 33 I CB 1.142 39.081 38.000 -0.101 0.000 1.264 33 I HN 0.001 nan 8.210 nan 0.000 0.438 34 Y N 4.952 125.267 120.300 0.025 0.000 2.346 34 Y HA 0.264 4.814 4.550 -0.000 0.000 0.330 34 Y C 0.534 176.454 175.900 0.034 0.000 1.178 34 Y CA 0.109 58.283 58.100 0.123 0.000 1.331 34 Y CB 0.375 38.932 38.460 0.162 0.000 1.253 34 Y HN 0.394 nan 8.280 nan 0.000 0.529 35 H N 3.352 122.637 119.070 0.358 0.000 2.529 35 H HA 0.426 4.981 4.556 -0.000 0.000 0.348 35 H C -1.443 173.870 175.328 -0.026 0.000 1.079 35 H CA -0.893 55.281 56.048 0.210 0.000 1.198 35 H CB 2.492 32.345 29.762 0.151 0.000 1.521 35 H HN 0.429 nan 8.280 nan 0.000 0.514 36 L N 4.046 125.169 121.223 -0.166 0.000 2.376 36 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 36 L C -1.543 175.004 176.870 -0.539 0.000 0.987 36 L CA -0.395 54.062 54.840 -0.639 0.000 0.828 36 L CB 0.535 41.706 42.059 -1.481 0.000 1.249 36 L HN 0.326 nan 8.230 nan 0.000 0.409 37 F N 4.734 124.535 119.950 -0.250 0.000 2.408 37 F HA 0.723 5.250 4.527 -0.000 0.000 0.325 37 F C -0.436 175.119 175.800 -0.407 0.000 1.082 37 F CA -0.280 57.551 58.000 -0.282 0.000 1.032 37 F CB 1.294 40.099 39.000 -0.324 0.000 1.259 37 F HN 0.502 nan 8.300 nan 0.000 0.503 38 Y N -1.938 118.184 120.300 -0.296 0.000 2.592 38 Y HA 0.401 4.951 4.550 -0.000 0.000 0.334 38 Y C -1.336 174.412 175.900 -0.253 0.000 1.136 38 Y CA -1.751 56.124 58.100 -0.374 0.000 1.042 38 Y CB 0.596 38.883 38.460 -0.287 0.000 1.325 38 Y HN 0.397 nan 8.280 nan 0.000 0.457 39 Q N 1.738 121.462 119.800 -0.127 0.000 2.289 39 Q HA 0.099 4.439 4.340 -0.000 0.000 0.273 39 Q C -1.545 174.617 176.000 0.270 0.000 1.029 39 Q CA 0.642 56.444 55.803 -0.001 0.000 0.896 39 Q CB 1.354 30.070 28.738 -0.036 0.000 1.182 39 Q HN 0.888 nan 8.270 nan 0.000 0.385 40 W N 3.485 124.822 121.300 0.062 0.000 3.129 40 W HA 0.244 4.903 4.660 -0.000 0.000 0.333 40 W C -1.130 175.460 176.519 0.119 0.000 1.141 40 W CA -0.864 56.567 57.345 0.143 0.000 1.224 40 W CB 1.224 30.718 29.460 0.056 0.000 1.393 40 W HN 0.409 nan 8.180 nan 0.000 0.499 41 N N 5.986 124.478 118.700 -0.346 0.000 2.439 41 N HA 0.368 5.108 4.740 -0.000 0.000 0.249 41 N C -1.987 172.821 175.510 -1.170 0.000 1.003 41 N CA -2.223 50.491 53.050 -0.560 0.000 0.942 41 N CB 2.104 40.395 38.487 -0.328 0.000 1.115 41 N HN 0.073 nan 8.380 nan 0.000 0.505 42 P HA -0.006 nan 4.420 nan 0.000 0.242 42 P C -0.471 176.466 177.300 -0.605 0.000 1.197 42 P CA 1.035 63.364 63.100 -1.284 0.000 0.765 42 P CB 0.021 31.375 31.700 -0.578 0.000 0.936 43 K N -1.929 118.212 120.400 -0.431 0.000 3.099 43 K HA 0.588 4.908 4.320 -0.000 0.000 0.197 43 K C -0.129 176.366 176.600 -0.174 0.000 1.114 43 K CA -0.587 55.562 56.287 -0.229 0.000 1.024 43 K CB 0.355 32.752 32.500 -0.172 0.000 0.711 43 K HN -0.038 nan 8.250 nan 0.000 0.432 44 G N -0.265 108.431 108.800 -0.173 0.000 2.519 44 G HA2 0.479 4.439 3.960 -0.000 0.000 0.292 44 G HA3 0.479 4.439 3.960 -0.000 0.000 0.292 44 G C -0.958 173.943 174.900 0.002 0.000 1.507 44 G CA -0.400 44.645 45.100 -0.091 0.000 0.806 44 G HN 0.101 nan 8.290 nan 0.000 0.523 45 A N -0.463 122.391 122.820 0.057 0.000 2.460 45 A HA 0.614 4.933 4.320 -0.000 0.000 0.258 45 A C 0.800 178.527 177.584 0.239 0.000 1.300 45 A CA 0.747 52.891 52.037 0.177 0.000 0.913 45 A CB -0.547 18.517 19.000 0.107 0.000 1.031 45 A HN 2.027 nan 8.150 nan 0.000 0.512 46 V N -5.751 114.198 119.914 0.059 0.000 3.126 46 V HA 0.726 4.846 4.120 -0.000 0.000 0.314 46 V C -0.211 175.481 176.094 -0.670 0.000 1.138 46 V CA -1.714 60.478 62.300 -0.179 0.000 1.034 46 V CB 0.908 32.631 31.823 -0.166 0.000 1.075 46 V HN 0.423 nan 8.190 nan 0.000 0.442 47 W N 1.561 121.916 121.300 -1.575 0.000 2.223 47 W HA 0.582 5.241 4.660 -0.001 0.000 0.334 47 W C 0.497 176.614 176.519 -0.670 0.000 1.334 47 W CA 1.944 58.353 57.345 -1.561 0.000 1.246 47 W CB 0.225 28.893 29.460 -1.321 0.000 1.184 47 W HN 1.385 nan 8.180 nan 0.000 0.563 48 G N 3.825 111.821 108.800 -1.341 0.000 2.356 48 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.300 48 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.300 48 G C -0.432 174.036 174.900 -0.720 0.000 1.331 48 G CA -0.553 43.870 45.100 -1.128 0.000 0.905 48 G HN 0.789 nan 8.290 nan 0.000 0.587 49 N N -1.433 116.982 118.700 -0.476 0.000 2.707 49 N HA -0.193 4.547 4.740 -0.000 0.000 0.253 49 N C 0.075 175.452 175.510 -0.221 0.000 0.998 49 N CA 1.250 54.135 53.050 -0.275 0.000 0.751 49 N CB -0.737 37.602 38.487 -0.246 0.000 0.920 49 N HN 0.716 nan 8.380 nan 0.000 0.539 50 I N 0.657 121.101 120.570 -0.209 0.000 2.471 50 I HA 0.117 4.287 4.170 -0.000 0.000 0.286 50 I C 0.652 176.851 176.117 0.136 0.000 1.079 50 I CA -0.374 60.875 61.300 -0.085 0.000 1.398 50 I CB 1.134 39.048 38.000 -0.143 0.000 1.403 50 I HN 0.130 nan 8.210 nan 0.000 0.530 51 V N 3.875 123.903 119.914 0.189 0.000 3.141 51 V HA 0.582 4.702 4.120 -0.000 0.000 0.312 51 V C -1.388 174.932 176.094 0.375 0.000 1.157 51 V CA -0.974 61.507 62.300 0.302 0.000 1.041 51 V CB 1.676 33.671 31.823 0.286 0.000 1.071 51 V HN 0.630 nan 8.190 nan 0.000 0.441 52 W N 2.151 123.454 121.300 0.005 0.000 2.433 52 W HA 0.775 5.435 4.660 -0.000 0.000 0.331 52 W C 0.690 177.156 176.519 -0.089 0.000 1.110 52 W CA 0.147 57.439 57.345 -0.088 0.000 1.450 52 W CB 0.258 29.582 29.460 -0.228 0.000 1.348 52 W HN 0.991 nan 8.180 nan 0.000 0.415 53 A N 3.208 125.902 122.820 -0.210 0.000 2.296 53 A HA 0.438 4.758 4.320 -0.000 0.000 0.264 53 A C -0.733 176.628 177.584 -0.372 0.000 1.097 53 A CA -0.055 51.669 52.037 -0.521 0.000 0.811 53 A CB 0.454 18.636 19.000 -1.363 0.000 1.072 53 A HN 0.722 nan 8.150 nan 0.000 0.495 54 H N -0.334 118.564 119.070 -0.286 0.000 3.042 54 H HA 0.527 5.083 4.556 -0.000 0.000 0.345 54 H C -1.453 173.908 175.328 0.055 0.000 1.052 54 H CA -0.431 55.551 56.048 -0.110 0.000 1.311 54 H CB 1.439 31.263 29.762 0.104 0.000 1.810 54 H HN 0.646 nan 8.280 nan 0.000 0.505 55 S N 2.385 118.056 115.700 -0.048 0.000 2.595 55 S HA 0.458 4.928 4.470 -0.000 0.000 0.281 55 S C -0.614 174.083 174.600 0.162 0.000 1.117 55 S CA -0.727 57.496 58.200 0.040 0.000 0.873 55 S CB 2.153 65.531 63.200 0.296 0.000 1.108 55 S HN 0.754 nan 8.310 nan 0.000 0.477 56 T N -1.507 113.222 114.554 0.292 0.000 2.916 56 T HA 0.872 5.222 4.350 -0.000 0.000 0.292 56 T C -0.609 174.154 174.700 0.105 0.000 1.055 56 T CA -0.838 61.410 62.100 0.247 0.000 1.009 56 T CB 1.781 70.753 68.868 0.174 0.000 1.118 56 T HN 0.545 nan 8.240 nan 0.000 0.497 57 S N -0.508 115.099 115.700 -0.155 0.000 2.537 57 S HA 0.544 5.013 4.470 -0.000 0.000 0.271 57 S C 0.551 175.080 174.600 -0.118 0.000 1.148 57 S CA -0.052 57.873 58.200 -0.458 0.000 0.868 57 S CB 1.504 63.772 63.200 -1.553 0.000 1.115 57 S HN 1.217 nan 8.310 nan 0.000 0.461 58 T N -0.605 113.898 114.554 -0.085 0.000 3.069 58 T HA 0.226 4.576 4.350 -0.000 0.000 0.252 58 T C 0.397 175.170 174.700 0.122 0.000 1.053 58 T CA 0.807 62.929 62.100 0.037 0.000 0.964 58 T CB -0.243 68.616 68.868 -0.015 0.000 1.005 58 T HN 0.636 nan 8.240 nan 0.000 0.532 59 D N 0.273 120.651 120.400 -0.038 0.000 2.525 59 D HA 0.175 4.815 4.640 -0.000 0.000 0.231 59 D C 1.098 177.247 176.300 -0.251 0.000 1.216 59 D CA -0.466 53.475 54.000 -0.098 0.000 0.813 59 D CB -0.614 40.113 40.800 -0.121 0.000 1.108 59 D HN 0.343 nan 8.370 nan 0.000 0.524 60 L N -0.274 120.699 121.223 -0.416 0.000 4.884 60 L HA -0.247 4.093 4.340 -0.000 0.000 0.430 60 L C 0.404 177.235 176.870 -0.065 0.000 1.087 60 L CA 0.548 55.202 54.840 -0.310 0.000 1.033 60 L CB -1.029 40.852 42.059 -0.297 0.000 2.030 60 L HN 0.228 nan 8.230 nan 0.000 0.762 61 I N -2.018 118.397 120.570 -0.258 0.000 4.033 61 I HA 0.172 4.341 4.170 -0.000 0.000 0.296 61 I C 1.074 177.169 176.117 -0.036 0.000 1.210 61 I CA 0.712 62.013 61.300 0.001 0.000 1.341 61 I CB -0.109 37.864 38.000 -0.046 0.000 1.369 61 I HN 0.142 nan 8.210 nan 0.000 0.453 62 N N 0.926 119.454 118.700 -0.285 0.000 2.426 62 N HA 0.235 4.975 4.740 -0.000 0.000 0.275 62 N C -1.485 173.783 175.510 -0.403 0.000 1.019 62 N CA -0.100 52.838 53.050 -0.187 0.000 0.941 62 N CB 1.382 39.791 38.487 -0.131 0.000 1.123 62 N HN 0.032 nan 8.380 nan 0.000 0.486 63 W N 0.611 121.947 121.300 0.061 0.000 2.785 63 W HA 0.331 4.991 4.660 -0.000 0.000 0.333 63 W C -0.470 176.021 176.519 -0.046 0.000 1.062 63 W CA -0.686 56.698 57.345 0.065 0.000 1.233 63 W CB 1.496 31.102 29.460 0.243 0.000 1.413 63 W HN 0.203 nan 8.180 nan 0.000 0.489 64 D N 4.074 124.535 120.400 0.101 0.000 2.308 64 D HA 0.278 4.917 4.640 -0.000 0.000 0.242 64 D C -2.349 173.747 176.300 -0.340 0.000 1.059 64 D CA -1.351 52.555 54.000 -0.155 0.000 0.830 64 D CB 1.847 42.483 40.800 -0.273 0.000 1.161 64 D HN -0.093 nan 8.370 nan 0.000 0.494 65 P HA 0.179 nan 4.420 nan 0.000 0.279 65 P C -0.599 176.331 177.300 -0.617 0.000 1.239 65 P CA -0.070 62.817 63.100 -0.355 0.000 0.789 65 P CB 1.385 32.953 31.700 -0.221 0.000 0.933 66 H N 0.754 119.750 119.070 -0.123 0.000 2.855 66 H HA 0.457 5.013 4.556 -0.000 0.000 0.363 66 H C -2.066 173.271 175.328 0.016 0.000 1.185 66 H CA -1.825 54.188 56.048 -0.057 0.000 1.174 66 H CB 0.664 30.382 29.762 -0.073 0.000 1.857 66 H HN 0.273 nan 8.280 nan 0.000 0.565 67 P HA 0.104 nan 4.420 nan 0.000 0.270 67 P C -2.492 174.948 177.300 0.234 0.000 1.223 67 P CA -1.134 62.067 63.100 0.169 0.000 0.785 67 P CB -0.533 31.273 31.700 0.177 0.000 0.923 68 P HA -0.038 nan 4.420 nan 0.000 0.264 68 P C 0.176 177.722 177.300 0.409 0.000 1.183 68 P CA 0.537 63.796 63.100 0.265 0.000 0.763 68 P CB 0.269 32.106 31.700 0.228 0.000 0.807 69 A N 4.298 127.324 122.820 0.342 0.000 1.943 69 A HA 0.159 4.479 4.320 -0.000 0.000 0.213 69 A C 0.801 178.327 177.584 -0.097 0.000 1.181 69 A CA 0.985 53.133 52.037 0.184 0.000 0.653 69 A CB -0.121 18.896 19.000 0.028 0.000 0.833 69 A HN 0.527 nan 8.150 nan 0.000 0.451 70 I N 0.884 121.358 120.570 -0.159 0.000 2.497 70 I HA 0.454 4.623 4.170 -0.000 0.000 0.284 70 I C -1.350 174.623 176.117 -0.240 0.000 1.060 70 I CA -0.576 60.385 61.300 -0.567 0.000 1.071 70 I CB 1.654 38.867 38.000 -1.313 0.000 1.216 70 I HN 0.362 nan 8.210 nan 0.000 0.442 71 F N 4.904 124.736 119.950 -0.196 0.000 2.662 71 F HA 0.722 5.248 4.527 -0.000 0.000 0.312 71 F C -3.010 172.738 175.800 -0.086 0.000 1.113 71 F CA -3.288 54.661 58.000 -0.085 0.000 0.951 71 F CB 0.424 39.416 39.000 -0.013 0.000 1.344 71 F HN 0.046 nan 8.300 nan 0.000 0.462 72 P HA 0.110 nan 4.420 nan 0.000 0.257 72 P C -0.016 177.305 177.300 0.036 0.000 1.189 72 P CA 0.547 63.669 63.100 0.037 0.000 0.780 72 P CB 0.503 32.234 31.700 0.053 0.000 0.772 73 S N 2.098 117.709 115.700 -0.148 0.000 3.053 73 S HA 0.645 5.115 4.470 -0.000 0.000 0.255 73 S C 0.067 174.515 174.600 -0.254 0.000 0.976 73 S CA -0.180 57.932 58.200 -0.146 0.000 1.159 73 S CB 0.199 63.273 63.200 -0.211 0.000 1.110 73 S HN 0.519 nan 8.310 nan 0.000 0.633 74 A N 1.301 123.878 122.820 -0.404 0.000 2.567 74 A HA 0.760 5.080 4.320 -0.000 0.000 0.291 74 A C -2.819 174.401 177.584 -0.607 0.000 1.048 74 A CA -1.152 50.524 52.037 -0.601 0.000 0.661 74 A CB 0.019 18.344 19.000 -1.126 0.000 1.288 74 A HN -0.033 nan 8.150 nan 0.000 0.424 75 P HA -0.147 nan 4.420 nan 0.000 0.215 75 P C 1.268 178.435 177.300 -0.222 0.000 1.157 75 P CA 2.274 65.233 63.100 -0.236 0.000 0.874 75 P CB -0.266 31.376 31.700 -0.097 0.000 0.790 76 F N 0.023 119.935 119.950 -0.063 0.000 2.408 76 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 76 F C 0.703 176.441 175.800 -0.103 0.000 1.090 76 F CA 1.001 58.945 58.000 -0.093 0.000 1.427 76 F CB -1.333 37.600 39.000 -0.113 0.000 1.070 76 F HN 0.011 nan 8.300 nan 0.000 0.549 77 D N -1.009 119.278 120.400 -0.187 0.000 2.636 77 D HA 0.050 4.690 4.640 -0.000 0.000 0.270 77 D C 1.247 177.482 176.300 -0.108 0.000 1.430 77 D CA -0.298 53.670 54.000 -0.053 0.000 0.796 77 D CB -1.145 39.739 40.800 0.141 0.000 1.117 77 D HN 0.242 nan 8.370 nan 0.000 0.480 78 I N 1.047 121.524 120.570 -0.155 0.000 2.454 78 I HA -0.097 4.073 4.170 -0.000 0.000 0.254 78 I C 0.775 176.851 176.117 -0.069 0.000 1.156 78 I CA 1.117 62.345 61.300 -0.119 0.000 1.433 78 I CB -0.280 37.648 38.000 -0.121 0.000 1.082 78 I HN -0.006 nan 8.210 nan 0.000 0.432 79 N N 0.952 119.608 118.700 -0.074 0.000 2.235 79 N HA 0.324 5.064 4.740 -0.000 0.000 0.209 79 N C 0.187 175.676 175.510 -0.036 0.000 1.122 79 N CA 0.779 53.794 53.050 -0.057 0.000 0.845 79 N CB 0.588 39.032 38.487 -0.071 0.000 1.004 79 N HN 0.401 nan 8.380 nan 0.000 0.499 80 G N -0.462 108.331 108.800 -0.011 0.000 2.312 80 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.347 80 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.347 80 G C -1.491 173.494 174.900 0.141 0.000 1.564 80 G CA -0.882 44.279 45.100 0.103 0.000 0.981 80 G HN 0.123 nan 8.290 nan 0.000 0.678 81 C N 2.104 121.594 119.300 0.317 0.000 2.317 81 C HA 0.621 5.081 4.460 -0.000 0.000 0.306 81 C C 0.382 175.793 174.990 0.702 0.000 1.087 81 C CA -0.979 58.251 59.018 0.352 0.000 1.529 81 C CB -1.402 26.349 27.740 0.018 0.000 1.880 81 C HN 0.549 nan 8.230 nan 0.000 0.417 82 W N 1.387 122.912 121.300 0.374 0.000 1.870 82 W HA 0.415 5.075 4.660 -0.000 0.000 0.428 82 W C 0.937 177.766 176.519 0.516 0.000 1.853 82 W CA -0.725 56.846 57.345 0.377 0.000 2.054 82 W CB -0.342 29.283 29.460 0.274 0.000 1.431 82 W HN 0.381 nan 8.180 nan 0.000 0.739 83 S N -0.148 115.875 115.700 0.538 0.000 2.584 83 S HA 0.598 5.068 4.470 -0.000 0.000 0.270 83 S C 0.265 175.139 174.600 0.456 0.000 1.346 83 S CA 0.381 58.781 58.200 0.333 0.000 1.018 83 S CB 0.607 63.885 63.200 0.130 0.000 0.899 83 S HN 0.638 nan 8.310 nan 0.000 0.542 84 G N 0.153 109.208 108.800 0.425 0.000 2.489 84 G HA2 0.578 4.538 3.960 -0.000 0.000 0.305 84 G HA3 0.578 4.538 3.960 -0.000 0.000 0.305 84 G C -1.713 173.379 174.900 0.320 0.000 1.311 84 G CA -0.613 44.756 45.100 0.448 0.000 0.813 84 G HN 0.684 nan 8.290 nan 0.000 0.480 85 S N -1.344 114.523 115.700 0.277 0.000 2.564 85 S HA 0.812 5.281 4.470 -0.000 0.000 0.274 85 S C -0.210 174.496 174.600 0.177 0.000 1.124 85 S CA -0.040 58.284 58.200 0.207 0.000 0.869 85 S CB 1.753 65.073 63.200 0.201 0.000 1.105 85 S HN 1.610 nan 8.310 nan 0.000 0.472 86 A N 1.435 124.360 122.820 0.176 0.000 2.301 86 A HA 0.749 5.069 4.320 -0.000 0.000 0.312 86 A C -0.190 177.516 177.584 0.203 0.000 1.182 86 A CA -0.420 51.710 52.037 0.156 0.000 0.826 86 A CB 0.371 19.472 19.000 0.169 0.000 1.134 86 A HN 0.598 nan 8.150 nan 0.000 0.501 87 T N 3.330 117.977 114.554 0.156 0.000 2.807 87 T HA 0.432 4.781 4.350 -0.000 0.000 0.279 87 T C -0.251 174.496 174.700 0.079 0.000 0.993 87 T CA -0.234 61.957 62.100 0.152 0.000 0.970 87 T CB 0.633 69.561 68.868 0.100 0.000 0.950 87 T HN 0.418 nan 8.240 nan 0.000 0.441 88 I N 4.819 125.495 120.570 0.177 0.000 2.301 88 I HA 0.266 4.435 4.170 -0.000 0.000 0.292 88 I C 0.484 176.702 176.117 0.168 0.000 1.046 88 I CA -0.413 60.989 61.300 0.171 0.000 1.282 88 I CB 0.276 38.436 38.000 0.267 0.000 1.409 88 I HN 0.487 nan 8.210 nan 0.000 0.484 89 L N 8.220 129.480 121.223 0.061 0.000 2.466 89 L HA 0.197 4.537 4.340 -0.000 0.000 0.257 89 L C -0.941 176.054 176.870 0.208 0.000 1.189 89 L CA -1.338 53.574 54.840 0.121 0.000 0.813 89 L CB -0.041 41.979 42.059 -0.065 0.000 1.118 89 L HN 0.293 nan 8.230 nan 0.000 0.471 90 P HA -0.180 nan 4.420 nan 0.000 0.216 90 P C 0.889 178.273 177.300 0.139 0.000 1.150 90 P CA 1.323 64.538 63.100 0.191 0.000 0.843 90 P CB -0.097 31.711 31.700 0.180 0.000 0.787 91 N N -1.088 117.684 118.700 0.120 0.000 2.550 91 N HA -0.031 4.708 4.740 -0.000 0.000 0.186 91 N C 1.302 176.873 175.510 0.101 0.000 1.110 91 N CA 1.449 54.554 53.050 0.091 0.000 0.912 91 N CB -0.924 37.603 38.487 0.068 0.000 0.968 91 N HN 0.258 nan 8.380 nan 0.000 0.448 92 G N -0.306 108.570 108.800 0.128 0.000 2.195 92 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.224 92 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.224 92 G C -0.146 174.886 174.900 0.219 0.000 0.990 92 G CA 0.104 45.310 45.100 0.177 0.000 0.639 92 G HN 0.604 nan 8.290 nan 0.000 0.514 93 K N 2.228 122.687 120.400 0.098 0.000 2.339 93 K HA 0.451 4.771 4.320 -0.000 0.000 0.286 93 K C -2.217 174.323 176.600 -0.100 0.000 1.050 93 K CA -1.552 54.723 56.287 -0.020 0.000 0.956 93 K CB 1.147 33.603 32.500 -0.072 0.000 0.990 93 K HN 0.139 nan 8.250 nan 0.000 0.475 94 P HA 0.099 nan 4.420 nan 0.000 0.284 94 P C -1.125 176.112 177.300 -0.105 0.000 1.253 94 P CA -0.508 62.501 63.100 -0.151 0.000 0.800 94 P CB 1.297 32.850 31.700 -0.245 0.000 0.961 95 V N 1.057 120.959 119.914 -0.019 0.000 2.925 95 V HA 0.623 4.742 4.120 -0.000 0.000 0.311 95 V C -0.574 175.576 176.094 0.094 0.000 1.104 95 V CA -1.040 61.285 62.300 0.043 0.000 0.954 95 V CB 2.134 33.875 31.823 -0.136 0.000 1.022 95 V HN 0.326 nan 8.190 nan 0.000 0.427 96 I N 3.741 124.358 120.570 0.079 0.000 2.441 96 I HA 0.503 4.673 4.170 -0.000 0.000 0.295 96 I C -0.728 175.374 176.117 -0.025 0.000 0.994 96 I CA -0.648 60.600 61.300 -0.086 0.000 1.144 96 I CB 1.945 39.635 38.000 -0.518 0.000 1.314 96 I HN 0.471 nan 8.210 nan 0.000 0.445 97 L N 7.470 128.693 121.223 -0.001 0.000 2.305 97 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 97 L C -1.101 175.764 176.870 -0.007 0.000 1.013 97 L CA -0.772 54.018 54.840 -0.083 0.000 0.819 97 L CB 1.101 43.055 42.059 -0.176 0.000 1.227 97 L HN 0.533 nan 8.230 nan 0.000 0.417 98 Y N 0.280 120.444 120.300 -0.227 0.000 2.581 98 Y HA 0.598 5.148 4.550 -0.000 0.000 0.345 98 Y C -0.457 175.373 175.900 -0.117 0.000 1.036 98 Y CA -1.125 56.902 58.100 -0.121 0.000 1.042 98 Y CB 1.346 39.607 38.460 -0.332 0.000 1.289 98 Y HN 0.282 nan 8.280 nan 0.000 0.471 99 T N 2.588 117.172 114.554 0.051 0.000 2.794 99 T HA 0.555 4.905 4.350 -0.000 0.000 0.296 99 T C 0.244 174.961 174.700 0.028 0.000 0.949 99 T CA 0.067 62.133 62.100 -0.057 0.000 1.101 99 T CB 0.557 69.473 68.868 0.080 0.000 0.905 99 T HN 0.991 nan 8.240 nan 0.000 0.516 100 G N 2.305 111.005 108.800 -0.166 0.000 2.432 100 G HA2 0.617 4.577 3.960 -0.000 0.000 0.331 100 G HA3 0.617 4.577 3.960 -0.000 0.000 0.331 100 G C -0.727 174.035 174.900 -0.231 0.000 1.170 100 G CA -0.710 44.338 45.100 -0.087 0.000 0.943 100 G HN 0.601 nan 8.290 nan 0.000 0.483 101 I N 2.650 123.042 120.570 -0.297 0.000 2.304 101 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 101 I C 0.049 176.066 176.117 -0.167 0.000 1.018 101 I CA -0.957 60.145 61.300 -0.331 0.000 1.260 101 I CB 0.828 38.554 38.000 -0.457 0.000 1.390 101 I HN 0.642 nan 8.210 nan 0.000 0.475 102 D N 8.454 128.781 120.400 -0.121 0.000 2.433 102 D HA 0.249 4.889 4.640 -0.000 0.000 0.255 102 D C -2.217 174.043 176.300 -0.067 0.000 1.226 102 D CA -1.862 52.096 54.000 -0.069 0.000 1.015 102 D CB 0.462 41.242 40.800 -0.034 0.000 1.091 102 D HN 0.126 nan 8.370 nan 0.000 0.527 103 P HA -0.066 nan 4.420 nan 0.000 0.222 103 P C 0.423 177.701 177.300 -0.037 0.000 1.147 103 P CA 1.467 64.540 63.100 -0.046 0.000 0.790 103 P CB 0.105 31.782 31.700 -0.038 0.000 0.780 104 K N -0.364 120.015 120.400 -0.034 0.000 2.500 104 K HA 0.134 4.454 4.320 -0.000 0.000 0.206 104 K C -0.094 176.486 176.600 -0.032 0.000 1.034 104 K CA -0.206 56.064 56.287 -0.028 0.000 1.179 104 K CB -0.464 32.022 32.500 -0.023 0.000 0.884 104 K HN 0.027 nan 8.250 nan 0.000 0.493 105 N N 2.594 121.266 118.700 -0.046 0.000 2.714 105 N HA -0.204 4.536 4.740 -0.000 0.000 0.252 105 N C -0.975 174.496 175.510 -0.065 0.000 1.014 105 N CA 1.108 54.122 53.050 -0.059 0.000 0.735 105 N CB -0.945 37.528 38.487 -0.024 0.000 0.924 105 N HN 0.515 nan 8.380 nan 0.000 0.540 106 Q N 0.275 120.033 119.800 -0.070 0.000 2.293 106 Q HA 0.306 4.645 4.340 -0.000 0.000 0.261 106 Q C -0.118 175.837 176.000 -0.076 0.000 0.960 106 Q CA -0.500 55.272 55.803 -0.052 0.000 0.882 106 Q CB 1.539 30.259 28.738 -0.030 0.000 1.275 106 Q HN 0.174 nan 8.270 nan 0.000 0.445 107 Q N 1.658 121.430 119.800 -0.046 0.000 2.293 107 Q HA 0.292 4.632 4.340 -0.000 0.000 0.263 107 Q C -0.383 175.660 176.000 0.072 0.000 1.002 107 Q CA -0.277 55.491 55.803 -0.059 0.000 0.910 107 Q CB 0.705 29.440 28.738 -0.005 0.000 1.185 107 Q HN 0.457 nan 8.270 nan 0.000 0.401 108 V N -0.359 119.530 119.914 -0.041 0.000 3.040 108 V HA 0.513 4.633 4.120 -0.000 0.000 0.312 108 V C -1.113 174.856 176.094 -0.209 0.000 1.115 108 V CA -1.227 61.057 62.300 -0.026 0.000 0.998 108 V CB 2.368 34.166 31.823 -0.042 0.000 1.042 108 V HN 0.517 nan 8.190 nan 0.000 0.433 109 Q N 2.781 122.420 119.800 -0.268 0.000 2.325 109 Q HA 0.587 4.927 4.340 -0.000 0.000 0.262 109 Q C -1.143 174.542 176.000 -0.525 0.000 0.968 109 Q CA -0.280 55.248 55.803 -0.459 0.000 0.877 109 Q CB 1.477 29.887 28.738 -0.546 0.000 1.253 109 Q HN 0.864 nan 8.270 nan 0.000 0.448 110 N N 1.990 120.255 118.700 -0.724 0.000 2.328 110 N HA 0.557 5.297 4.740 -0.000 0.000 0.299 110 N C -0.707 174.430 175.510 -0.622 0.000 1.179 110 N CA -0.627 51.963 53.050 -0.766 0.000 0.793 110 N CB 2.319 40.233 38.487 -0.954 0.000 1.366 110 N HN 0.513 nan 8.380 nan 0.000 0.493 111 I N 0.351 120.696 120.570 -0.376 0.000 2.493 111 I HA 0.666 4.836 4.170 -0.000 0.000 0.298 111 I C -0.964 175.143 176.117 -0.016 0.000 0.998 111 I CA -0.630 60.586 61.300 -0.139 0.000 1.137 111 I CB 1.304 39.276 38.000 -0.047 0.000 1.310 111 I HN 0.614 nan 8.210 nan 0.000 0.445 112 A N 6.843 129.697 122.820 0.056 0.000 2.414 112 A HA 0.737 5.056 4.320 -0.000 0.000 0.306 112 A C -1.173 176.543 177.584 0.221 0.000 1.054 112 A CA -0.559 51.539 52.037 0.102 0.000 0.724 112 A CB 1.443 20.435 19.000 -0.013 0.000 1.267 112 A HN 0.760 nan 8.150 nan 0.000 0.418 113 E N 1.279 121.592 120.200 0.188 0.000 2.392 113 E HA 0.691 5.041 4.350 -0.000 0.000 0.269 113 E C -3.029 173.379 176.600 -0.319 0.000 0.924 113 E CA -2.352 54.056 56.400 0.014 0.000 0.784 113 E CB 1.805 31.452 29.700 -0.089 0.000 1.292 113 E HN 0.258 nan 8.360 nan 0.000 0.447 114 P HA 0.042 nan 4.420 nan 0.000 0.271 114 P C -0.098 176.914 177.300 -0.479 0.000 1.218 114 P CA -0.166 62.308 63.100 -1.043 0.000 0.780 114 P CB 0.777 31.855 31.700 -1.036 0.000 0.901 115 K N 1.656 121.833 120.400 -0.372 0.000 2.305 115 K HA -0.023 4.297 4.320 -0.000 0.000 0.199 115 K C 0.227 176.737 176.600 -0.150 0.000 1.047 115 K CA 0.794 56.971 56.287 -0.183 0.000 0.976 115 K CB 0.116 32.553 32.500 -0.104 0.000 0.765 115 K HN 0.328 nan 8.250 nan 0.000 0.474 116 N N 0.374 118.965 118.700 -0.183 0.000 2.594 116 N HA 0.083 4.822 4.740 -0.000 0.000 0.280 116 N C -0.077 175.362 175.510 -0.118 0.000 1.156 116 N CA -0.177 52.806 53.050 -0.112 0.000 0.831 116 N CB 0.960 39.412 38.487 -0.058 0.000 1.379 116 N HN -0.025 nan 8.380 nan 0.000 0.536 117 L N 1.121 122.287 121.223 -0.095 0.000 2.362 117 L HA -0.005 4.335 4.340 -0.000 0.000 0.219 117 L C 1.644 178.562 176.870 0.079 0.000 1.134 117 L CA 0.773 55.596 54.840 -0.028 0.000 0.807 117 L CB -0.001 42.055 42.059 -0.004 0.000 0.927 117 L HN 0.432 nan 8.230 nan 0.000 0.447 118 S N -1.447 114.266 115.700 0.022 0.000 2.461 118 S HA -0.082 4.387 4.470 -0.000 0.000 0.228 118 S C 0.670 175.275 174.600 0.008 0.000 1.005 118 S CA 0.157 58.366 58.200 0.014 0.000 0.942 118 S CB -0.264 62.935 63.200 -0.003 0.000 0.776 118 S HN 0.344 nan 8.310 nan 0.000 0.514 119 D N 2.183 122.591 120.400 0.014 0.000 2.363 119 D HA 0.114 4.754 4.640 -0.000 0.000 0.263 119 D C -1.791 174.524 176.300 0.026 0.000 1.258 119 D CA -2.046 51.964 54.000 0.016 0.000 0.907 119 D CB 1.187 42.008 40.800 0.036 0.000 1.107 119 D HN 0.053 nan 8.370 nan 0.000 0.495 120 P HA -0.085 nan 4.420 nan 0.000 0.221 120 P C 0.583 177.838 177.300 -0.074 0.000 1.150 120 P CA 1.002 63.996 63.100 -0.176 0.000 0.800 120 P CB -0.024 31.382 31.700 -0.490 0.000 0.787 121 Y N -0.887 119.517 120.300 0.174 0.000 2.511 121 Y HA 0.219 4.769 4.550 -0.000 0.000 0.279 121 Y C 1.048 177.144 175.900 0.325 0.000 1.157 121 Y CA -0.555 57.630 58.100 0.140 0.000 1.300 121 Y CB -0.554 37.825 38.460 -0.136 0.000 1.052 121 Y HN -0.332 nan 8.280 nan 0.000 0.529 122 L N 0.888 122.313 121.223 0.337 0.000 3.879 122 L HA -0.385 3.954 4.340 -0.000 0.000 0.481 122 L C 1.216 178.306 176.870 0.367 0.000 1.232 122 L CA 0.203 55.146 54.840 0.171 0.000 0.736 122 L CB -1.057 41.053 42.059 0.086 0.000 1.511 122 L HN 0.410 nan 8.230 nan 0.000 0.830 123 R N 0.193 120.849 120.500 0.259 0.000 2.090 123 R HA 0.042 4.382 4.340 -0.000 0.000 0.228 123 R C 0.509 177.039 176.300 0.383 0.000 1.110 123 R CA 1.009 57.306 56.100 0.329 0.000 0.973 123 R CB 0.140 30.560 30.300 0.200 0.000 0.869 123 R HN 0.537 nan 8.270 nan 0.000 0.440 124 E N -0.700 119.621 120.200 0.203 0.000 2.179 124 E HA 0.167 4.517 4.350 -0.000 0.000 0.275 124 E C -1.441 175.176 176.600 0.028 0.000 0.945 124 E CA -0.499 56.012 56.400 0.186 0.000 0.792 124 E CB 1.393 31.151 29.700 0.097 0.000 1.125 124 E HN 0.006 nan 8.360 nan 0.000 0.397 125 W N 3.091 124.357 121.300 -0.057 0.000 2.785 125 W HA 0.293 4.953 4.660 -0.001 0.000 0.333 125 W C -0.262 176.175 176.519 -0.138 0.000 1.062 125 W CA -0.776 56.492 57.345 -0.129 0.000 1.233 125 W CB 1.270 30.596 29.460 -0.222 0.000 1.413 125 W HN 0.312 nan 8.180 nan 0.000 0.489 126 K N 2.057 122.491 120.400 0.057 0.000 2.156 126 K HA 0.783 5.102 4.320 -0.000 0.000 0.250 126 K C -0.715 175.912 176.600 0.045 0.000 0.955 126 K CA -0.971 55.330 56.287 0.023 0.000 0.855 126 K CB 2.049 34.542 32.500 -0.011 0.000 1.101 126 K HN 0.396 nan 8.250 nan 0.000 0.434 127 K N 0.853 121.285 120.400 0.054 0.000 2.318 127 K HA 0.187 4.507 4.320 -0.000 0.000 0.249 127 K C -0.809 175.814 176.600 0.039 0.000 0.942 127 K CA -0.924 55.409 56.287 0.077 0.000 0.808 127 K CB 2.137 34.766 32.500 0.215 0.000 1.189 127 K HN 0.671 nan 8.250 nan 0.000 0.428 128 S N 1.843 117.503 115.700 -0.067 0.000 2.549 128 S HA 0.127 4.597 4.470 -0.000 0.000 0.279 128 S C -1.726 172.810 174.600 -0.108 0.000 1.321 128 S CA -1.255 56.891 58.200 -0.091 0.000 1.054 128 S CB 0.424 63.550 63.200 -0.124 0.000 0.899 128 S HN 0.313 nan 8.310 nan 0.000 0.497 129 P HA 0.035 nan 4.420 nan 0.000 0.230 129 P C 0.780 178.055 177.300 -0.042 0.000 1.158 129 P CA 0.746 63.854 63.100 0.013 0.000 0.769 129 P CB 0.024 31.738 31.700 0.024 0.000 0.807 130 L N -2.040 119.123 121.223 -0.100 0.000 2.492 130 L HA 0.044 4.384 4.340 -0.000 0.000 0.223 130 L C 0.736 177.483 176.870 -0.205 0.000 1.132 130 L CA 0.075 54.851 54.840 -0.106 0.000 0.850 130 L CB -0.747 41.270 42.059 -0.071 0.000 0.966 130 L HN -0.049 nan 8.230 nan 0.000 0.454 131 N N 1.704 120.145 118.700 -0.433 0.000 2.412 131 N HA 0.081 4.821 4.740 -0.000 0.000 0.254 131 N C -2.222 173.025 175.510 -0.439 0.000 1.232 131 N CA -0.737 51.873 53.050 -0.732 0.000 0.880 131 N CB 0.280 37.676 38.487 -1.819 0.000 1.076 131 N HN -0.025 nan 8.380 nan 0.000 0.458 132 P HA 0.126 nan 4.420 nan 0.000 0.277 132 P C 0.557 177.726 177.300 -0.218 0.000 1.240 132 P CA -0.472 62.453 63.100 -0.293 0.000 0.798 132 P CB 0.898 32.502 31.700 -0.160 0.000 0.979 133 L N 0.990 122.065 121.223 -0.247 0.000 2.162 133 L HA 0.193 4.532 4.340 -0.000 0.000 0.205 133 L C 1.270 178.076 176.870 -0.108 0.000 1.086 133 L CA 1.683 56.443 54.840 -0.134 0.000 0.778 133 L CB -0.884 41.086 42.059 -0.148 0.000 0.928 133 L HN 0.425 nan 8.230 nan 0.000 0.446 134 M N -1.331 118.129 119.600 -0.234 0.000 2.326 134 M HA 0.648 5.128 4.480 -0.000 0.000 0.306 134 M C -0.836 175.437 176.300 -0.044 0.000 1.054 134 M CA -0.200 54.966 55.300 -0.224 0.000 0.922 134 M CB 2.711 34.885 32.600 -0.709 0.000 1.632 134 M HN -0.062 nan 8.290 nan 0.000 0.436 135 A N 2.916 125.753 122.820 0.029 0.000 2.604 135 A HA 0.948 5.268 4.320 -0.000 0.000 0.295 135 A C -3.072 174.433 177.584 -0.132 0.000 1.067 135 A CA -1.415 50.633 52.037 0.019 0.000 0.683 135 A CB 1.395 20.389 19.000 -0.011 0.000 1.281 135 A HN 0.463 nan 8.150 nan 0.000 0.407 136 P HA 0.493 nan 4.420 nan 0.000 0.275 136 P C -1.146 176.074 177.300 -0.133 0.000 1.227 136 P CA 0.291 63.230 63.100 -0.269 0.000 0.781 136 P CB 0.781 32.327 31.700 -0.256 0.000 0.906 137 D N 0.031 120.360 120.400 -0.119 0.000 2.692 137 D HA 0.459 5.098 4.640 -0.000 0.000 0.303 137 D C 0.619 176.876 176.300 -0.072 0.000 1.278 137 D CA -0.937 53.018 54.000 -0.075 0.000 0.852 137 D CB -0.003 40.766 40.800 -0.051 0.000 1.375 137 D HN 0.119 nan 8.370 nan 0.000 0.453 138 A N -0.287 122.502 122.820 -0.053 0.000 1.972 138 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 138 A C 1.905 179.459 177.584 -0.050 0.000 1.169 138 A CA 1.922 53.931 52.037 -0.048 0.000 0.635 138 A CB -0.899 18.080 19.000 -0.035 0.000 0.810 138 A HN 0.362 nan 8.150 nan 0.000 0.446 139 V N 1.751 121.636 119.914 -0.049 0.000 2.239 139 V HA -0.249 3.871 4.120 -0.000 0.000 0.242 139 V C 2.433 178.489 176.094 -0.063 0.000 1.038 139 V CA 2.202 64.473 62.300 -0.048 0.000 1.002 139 V CB -1.245 30.554 31.823 -0.040 0.000 0.641 139 V HN 0.884 nan 8.190 nan 0.000 0.449 140 N N 1.441 120.096 118.700 -0.075 0.000 2.223 140 N HA -0.014 4.725 4.740 -0.000 0.000 0.185 140 N C 1.479 176.923 175.510 -0.110 0.000 1.016 140 N CA 1.478 54.469 53.050 -0.098 0.000 0.863 140 N CB -0.711 37.711 38.487 -0.108 0.000 0.983 140 N HN 0.595 nan 8.380 nan 0.000 0.429 141 G N -0.320 108.413 108.800 -0.111 0.000 2.160 141 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.251 141 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.251 141 G C -0.098 174.718 174.900 -0.140 0.000 1.008 141 G CA 0.312 45.346 45.100 -0.110 0.000 0.724 141 G HN 0.462 nan 8.290 nan 0.000 0.514 142 I N 0.429 120.882 120.570 -0.195 0.000 2.692 142 I HA 0.066 4.236 4.170 -0.000 0.000 0.284 142 I C 0.832 176.827 176.117 -0.203 0.000 1.159 142 I CA -0.191 60.957 61.300 -0.253 0.000 1.423 142 I CB 0.407 38.095 38.000 -0.520 0.000 1.380 142 I HN 0.150 nan 8.210 nan 0.000 0.580 143 N N 4.590 123.210 118.700 -0.133 0.000 2.405 143 N HA 0.169 4.909 4.740 -0.000 0.000 0.260 143 N C 0.873 176.369 175.510 -0.023 0.000 1.152 143 N CA -0.085 52.921 53.050 -0.072 0.000 0.948 143 N CB 1.189 39.646 38.487 -0.049 0.000 1.111 143 N HN 0.735 nan 8.380 nan 0.000 0.485 144 A N 1.832 124.634 122.820 -0.031 0.000 2.070 144 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 144 A C 1.675 179.292 177.584 0.055 0.000 1.159 144 A CA 1.187 53.226 52.037 0.002 0.000 0.656 144 A CB -0.014 18.973 19.000 -0.021 0.000 0.800 144 A HN 0.575 nan 8.150 nan 0.000 0.453 145 S N -0.601 115.134 115.700 0.059 0.000 2.556 145 S HA 0.180 4.649 4.470 -0.000 0.000 0.216 145 S C 0.366 175.049 174.600 0.138 0.000 0.970 145 S CA 0.182 58.434 58.200 0.088 0.000 0.912 145 S CB 0.319 63.563 63.200 0.073 0.000 0.790 145 S HN 0.348 nan 8.310 nan 0.000 0.504 146 S N 1.605 117.395 115.700 0.149 0.000 2.204 146 S HA 0.472 4.942 4.470 -0.000 0.000 0.147 146 S C -1.127 173.634 174.600 0.268 0.000 1.711 146 S CA -0.462 57.846 58.200 0.180 0.000 1.274 146 S CB 0.188 63.460 63.200 0.120 0.000 1.257 146 S HN 0.376 nan 8.310 nan 0.000 0.404 147 F N 3.630 123.623 119.950 0.072 0.000 3.358 147 F HA 0.438 4.965 4.527 -0.000 0.000 0.396 147 F C -0.581 175.253 175.800 0.057 0.000 1.225 147 F CA -0.388 57.640 58.000 0.047 0.000 1.280 147 F CB 0.451 39.453 39.000 0.004 0.000 2.012 147 F HN 0.438 nan 8.300 nan 0.000 0.685 148 R N 1.920 122.325 120.500 -0.159 0.000 2.747 148 R HA 0.620 4.959 4.340 -0.000 0.000 0.272 148 R C -1.690 174.580 176.300 -0.049 0.000 1.032 148 R CA -0.873 55.161 56.100 -0.109 0.000 0.896 148 R CB 1.194 31.600 30.300 0.177 0.000 1.253 148 R HN 0.167 nan 8.270 nan 0.000 0.461 149 D N -0.504 119.906 120.400 0.016 0.000 3.061 149 D HA -0.065 4.575 4.640 -0.000 0.000 0.252 149 D C -2.465 173.845 176.300 0.017 0.000 1.080 149 D CA 0.284 54.327 54.000 0.072 0.000 0.871 149 D CB -0.930 39.942 40.800 0.119 0.000 1.018 149 D HN 0.432 nan 8.370 nan 0.000 0.425 150 P HA 0.098 nan 4.420 nan 0.000 0.269 150 P C 0.732 178.063 177.300 0.052 0.000 1.209 150 P CA -0.015 63.039 63.100 -0.078 0.000 0.776 150 P CB 0.632 32.219 31.700 -0.188 0.000 0.876 151 T N -0.808 113.810 114.554 0.106 0.000 2.810 151 T HA 0.278 4.628 4.350 -0.000 0.000 0.277 151 T C 0.187 175.034 174.700 0.245 0.000 0.973 151 T CA -0.552 61.685 62.100 0.229 0.000 0.949 151 T CB -0.287 68.802 68.868 0.367 0.000 1.075 151 T HN 0.209 nan 8.240 nan 0.000 0.537 152 T N 1.833 116.589 114.554 0.337 0.000 2.940 152 T HA 0.470 4.819 4.350 -0.000 0.000 0.309 152 T C 0.481 175.483 174.700 0.503 0.000 1.056 152 T CA -0.107 62.224 62.100 0.385 0.000 1.137 152 T CB 0.054 69.172 68.868 0.417 0.000 0.976 152 T HN 0.944 nan 8.240 nan 0.000 0.547 153 A N 3.051 126.150 122.820 0.466 0.000 2.293 153 A HA 0.701 5.021 4.320 -0.000 0.000 0.302 153 A C -0.589 177.493 177.584 0.830 0.000 1.119 153 A CA -0.953 51.381 52.037 0.494 0.000 0.823 153 A CB 0.428 19.690 19.000 0.436 0.000 1.097 153 A HN 0.959 nan 8.150 nan 0.000 0.491 154 W N 0.944 122.666 121.300 0.703 0.000 2.819 154 W HA 0.619 5.279 4.660 -0.000 0.000 0.337 154 W C -1.535 175.217 176.519 0.388 0.000 1.077 154 W CA -1.276 56.396 57.345 0.546 0.000 1.226 154 W CB 0.898 30.575 29.460 0.361 0.000 1.419 154 W HN 0.493 nan 8.180 nan 0.000 0.502 155 L N 4.400 125.657 121.223 0.056 0.000 2.260 155 L HA 0.689 5.029 4.340 -0.000 0.000 0.289 155 L C 0.529 177.389 176.870 -0.017 0.000 1.057 155 L CA -0.024 54.519 54.840 -0.494 0.000 0.811 155 L CB 0.340 41.818 42.059 -0.968 0.000 1.184 155 L HN 0.767 nan 8.230 nan 0.000 0.429 156 G N 3.551 112.397 108.800 0.077 0.000 2.539 156 G HA2 0.229 4.189 3.960 -0.000 0.000 0.258 156 G HA3 0.229 4.189 3.960 -0.000 0.000 0.258 156 G C 0.576 175.656 174.900 0.299 0.000 1.202 156 G CA -0.051 45.234 45.100 0.307 0.000 0.851 156 G HN 0.764 nan 8.290 nan 0.000 0.556 157 Q N 1.017 121.085 119.800 0.447 0.000 2.197 157 Q HA -0.230 4.110 4.340 -0.000 0.000 0.211 157 Q C 1.209 177.237 176.000 0.045 0.000 0.993 157 Q CA 2.243 58.134 55.803 0.148 0.000 0.883 157 Q CB -0.768 27.864 28.738 -0.176 0.000 0.916 157 Q HN 0.707 nan 8.270 nan 0.000 0.418 158 D N -0.042 120.387 120.400 0.048 0.000 2.352 158 D HA 0.037 4.677 4.640 -0.000 0.000 0.232 158 D C -0.116 176.181 176.300 -0.006 0.000 1.055 158 D CA 0.326 54.334 54.000 0.013 0.000 0.891 158 D CB -0.077 40.734 40.800 0.017 0.000 0.897 158 D HN 0.403 nan 8.370 nan 0.000 0.529 159 K N -1.465 118.923 120.400 -0.020 0.000 3.341 159 K HA -0.216 4.103 4.320 -0.000 0.000 0.305 159 K C -0.525 176.001 176.600 -0.124 0.000 1.270 159 K CA 0.732 56.968 56.287 -0.084 0.000 0.897 159 K CB -1.413 31.060 32.500 -0.044 0.000 1.264 159 K HN 0.291 nan 8.250 nan 0.000 0.468 160 K N 0.117 120.460 120.400 -0.096 0.000 2.182 160 K HA 0.299 4.619 4.320 -0.000 0.000 0.262 160 K C -0.410 176.129 176.600 -0.100 0.000 0.957 160 K CA -0.751 55.490 56.287 -0.078 0.000 0.842 160 K CB 0.772 33.259 32.500 -0.022 0.000 1.099 160 K HN 0.024 nan 8.250 nan 0.000 0.438 161 W N 1.675 122.929 121.300 -0.076 0.000 2.150 161 W HA 0.216 4.876 4.660 -0.001 0.000 0.341 161 W C 0.473 176.914 176.519 -0.131 0.000 1.276 161 W CA -0.121 57.186 57.345 -0.063 0.000 1.238 161 W CB 0.551 29.989 29.460 -0.037 0.000 1.128 161 W HN 0.264 nan 8.180 nan 0.000 0.581 162 R N 1.042 121.497 120.500 -0.075 0.000 2.740 162 R HA 0.775 5.115 4.340 -0.000 0.000 0.282 162 R C -1.354 174.594 176.300 -0.588 0.000 0.969 162 R CA -1.013 54.843 56.100 -0.407 0.000 0.918 162 R CB 1.987 31.765 30.300 -0.870 0.000 1.175 162 R HN 0.318 nan 8.270 nan 0.000 0.464 163 V N 3.972 123.702 119.914 -0.306 0.000 3.087 163 V HA 0.670 4.790 4.120 -0.000 0.000 0.306 163 V C -1.309 174.735 176.094 -0.083 0.000 1.187 163 V CA -0.758 61.370 62.300 -0.287 0.000 0.999 163 V CB 2.093 33.676 31.823 -0.400 0.000 1.049 163 V HN 0.740 nan 8.190 nan 0.000 0.431 164 I N 3.022 123.631 120.570 0.064 0.000 2.740 164 I HA 0.749 4.918 4.170 -0.000 0.000 0.303 164 I C -1.234 174.934 176.117 0.086 0.000 1.044 164 I CA -0.923 60.465 61.300 0.147 0.000 1.064 164 I CB 2.276 40.419 38.000 0.238 0.000 1.249 164 I HN 0.498 nan 8.210 nan 0.000 0.433 165 I N 2.723 123.349 120.570 0.092 0.000 2.582 165 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 165 I C 0.565 176.741 176.117 0.098 0.000 1.066 165 I CA -0.727 60.561 61.300 -0.020 0.000 1.053 165 I CB 2.113 39.949 38.000 -0.274 0.000 1.241 165 I HN 0.817 nan 8.210 nan 0.000 0.421 166 G N 2.589 111.448 108.800 0.099 0.000 2.441 166 G HA2 0.475 4.435 3.960 -0.000 0.000 0.243 166 G HA3 0.475 4.435 3.960 -0.000 0.000 0.243 166 G C -0.393 174.622 174.900 0.192 0.000 1.281 166 G CA 0.133 45.358 45.100 0.207 0.000 0.854 166 G HN 0.594 nan 8.290 nan 0.000 0.560 167 S N 0.041 115.862 115.700 0.201 0.000 2.655 167 S HA 0.722 5.191 4.470 -0.000 0.000 0.266 167 S C -1.379 173.247 174.600 0.043 0.000 1.149 167 S CA -0.659 57.641 58.200 0.167 0.000 0.818 167 S CB 1.421 64.760 63.200 0.231 0.000 1.130 167 S HN 1.213 nan 8.310 nan 0.000 0.476 168 K N 0.974 121.384 120.400 0.018 0.000 2.562 168 K HA 0.652 4.972 4.320 -0.000 0.000 0.267 168 K C -1.801 174.755 176.600 -0.074 0.000 0.938 168 K CA -0.912 55.341 56.287 -0.057 0.000 0.840 168 K CB 0.994 33.484 32.500 -0.016 0.000 1.390 168 K HN 0.402 nan 8.250 nan 0.000 0.428 169 I N 4.402 124.907 120.570 -0.107 0.000 2.389 169 I HA 0.289 4.458 4.170 -0.000 0.000 0.288 169 I C 0.715 176.779 176.117 -0.088 0.000 0.999 169 I CA 0.003 61.201 61.300 -0.171 0.000 1.129 169 I CB 0.466 38.375 38.000 -0.152 0.000 1.288 169 I HN 0.848 nan 8.210 nan 0.000 0.444 170 H N 5.321 124.381 119.070 -0.017 0.000 1.452 170 H HA -0.253 4.302 4.556 -0.000 0.000 0.090 170 H C 0.950 176.281 175.328 0.004 0.000 0.670 170 H CA 1.430 57.474 56.048 -0.005 0.000 1.901 170 H CB -0.532 29.224 29.762 -0.010 0.000 2.257 170 H HN 0.553 nan 8.280 nan 0.000 0.961 171 R N 2.417 123.016 120.500 0.165 0.000 2.362 171 R HA 0.159 4.499 4.340 -0.000 0.000 0.227 171 R C 0.974 177.313 176.300 0.065 0.000 0.905 171 R CA -0.040 56.117 56.100 0.095 0.000 1.067 171 R CB 0.352 30.701 30.300 0.081 0.000 1.078 171 R HN 0.312 nan 8.270 nan 0.000 0.516 172 R N 0.814 121.335 120.500 0.035 0.000 2.254 172 R HA 0.301 4.641 4.340 -0.000 0.000 0.318 172 R C -0.247 175.950 176.300 -0.172 0.000 1.031 172 R CA -0.152 55.931 56.100 -0.027 0.000 0.905 172 R CB 1.023 31.311 30.300 -0.021 0.000 1.050 172 R HN 0.010 nan 8.270 nan 0.000 0.456 173 G N 4.413 113.004 108.800 -0.347 0.000 2.415 173 G HA2 0.461 4.421 3.960 -0.000 0.000 0.269 173 G HA3 0.461 4.421 3.960 -0.000 0.000 0.269 173 G C -0.770 173.290 174.900 -1.400 0.000 1.209 173 G CA -0.612 43.864 45.100 -1.040 0.000 0.835 173 G HN 0.498 nan 8.290 nan 0.000 0.534 174 L N 0.737 121.290 121.223 -1.117 0.000 2.422 174 L HA 0.644 4.983 4.340 -0.000 0.000 0.264 174 L C 0.057 176.815 176.870 -0.185 0.000 0.984 174 L CA -1.142 53.342 54.840 -0.594 0.000 0.819 174 L CB 2.627 44.551 42.059 -0.225 0.000 1.330 174 L HN 0.598 nan 8.230 nan 0.000 0.410 175 A N 4.015 126.872 122.820 0.063 0.000 2.654 175 A HA 0.591 4.911 4.320 -0.000 0.000 0.345 175 A C -0.279 177.430 177.584 0.209 0.000 1.368 175 A CA -0.362 51.855 52.037 0.300 0.000 0.895 175 A CB -0.259 19.013 19.000 0.453 0.000 1.143 175 A HN 0.623 nan 8.150 nan 0.000 0.490 176 I N 2.210 122.905 120.570 0.207 0.000 2.533 176 I HA 0.084 4.254 4.170 -0.000 0.000 0.284 176 I C 0.386 176.661 176.117 0.263 0.000 1.109 176 I CA 0.497 61.932 61.300 0.225 0.000 1.412 176 I CB 1.048 39.250 38.000 0.338 0.000 1.396 176 I HN 0.429 nan 8.210 nan 0.000 0.543 177 T N 5.816 120.486 114.554 0.194 0.000 2.837 177 T HA 0.456 4.805 4.350 -0.000 0.000 0.285 177 T C -0.733 174.073 174.700 0.178 0.000 0.984 177 T CA -0.248 61.968 62.100 0.193 0.000 1.049 177 T CB 0.699 69.657 68.868 0.149 0.000 0.947 177 T HN 0.179 nan 8.240 nan 0.000 0.472 178 Y N 1.262 121.620 120.300 0.097 0.000 2.485 178 Y HA 0.582 5.131 4.550 -0.000 0.000 0.345 178 Y C 0.773 176.849 175.900 0.293 0.000 0.998 178 Y CA -0.887 57.327 58.100 0.191 0.000 1.059 178 Y CB 2.157 40.734 38.460 0.195 0.000 1.234 178 Y HN 0.733 nan 8.280 nan 0.000 0.461 179 T N -1.286 113.491 114.554 0.371 0.000 2.907 179 T HA 0.792 5.142 4.350 -0.000 0.000 0.292 179 T C -0.779 173.871 174.700 -0.084 0.000 1.043 179 T CA -0.893 61.309 62.100 0.169 0.000 1.003 179 T CB 1.835 70.746 68.868 0.071 0.000 1.084 179 T HN 0.570 nan 8.240 nan 0.000 0.483 180 S N -0.011 115.470 115.700 -0.366 0.000 2.533 180 S HA 0.413 4.883 4.470 -0.000 0.000 0.271 180 S C 0.242 174.695 174.600 -0.245 0.000 1.143 180 S CA -0.851 56.973 58.200 -0.628 0.000 0.891 180 S CB 1.686 63.775 63.200 -1.851 0.000 1.105 180 S HN 0.816 nan 8.310 nan 0.000 0.468 181 K N 1.267 121.570 120.400 -0.162 0.000 2.098 181 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 181 K C 0.366 177.014 176.600 0.079 0.000 1.051 181 K CA 1.314 57.590 56.287 -0.018 0.000 0.957 181 K CB -0.035 32.446 32.500 -0.031 0.000 0.738 181 K HN 0.743 nan 8.250 nan 0.000 0.447 182 D N -1.313 119.083 120.400 -0.007 0.000 2.469 182 D HA 0.011 4.651 4.640 -0.000 0.000 0.213 182 D C 0.359 176.715 176.300 0.093 0.000 1.135 182 D CA -0.580 53.459 54.000 0.065 0.000 0.834 182 D CB -0.198 40.613 40.800 0.018 0.000 1.009 182 D HN 0.119 nan 8.370 nan 0.000 0.507 183 F N -0.042 119.713 119.950 -0.324 0.000 2.794 183 F HA -0.305 4.221 4.527 -0.000 0.000 0.335 183 F C 0.190 175.941 175.800 -0.081 0.000 0.653 183 F CA 0.677 58.454 58.000 -0.372 0.000 1.266 183 F CB -1.145 37.674 39.000 -0.302 0.000 1.666 183 F HN 0.096 nan 8.300 nan 0.000 0.314 184 L N -1.301 119.870 121.223 -0.087 0.000 2.588 184 L HA 0.153 4.492 4.340 -0.000 0.000 0.194 184 L C 0.901 177.772 176.870 0.001 0.000 1.070 184 L CA 0.041 54.912 54.840 0.051 0.000 0.852 184 L CB -0.115 41.968 42.059 0.040 0.000 1.199 184 L HN -0.199 nan 8.230 nan 0.000 0.486 185 K N 0.971 121.286 120.400 -0.141 0.000 2.310 185 K HA 0.127 4.447 4.320 -0.000 0.000 0.290 185 K C -1.564 174.892 176.600 -0.240 0.000 1.077 185 K CA -0.023 56.205 56.287 -0.098 0.000 0.922 185 K CB 0.435 32.888 32.500 -0.078 0.000 1.057 185 K HN -0.012 nan 8.250 nan 0.000 0.479 186 W N 2.529 123.829 121.300 0.000 0.000 2.532 186 W HA 0.250 4.910 4.660 -0.000 0.000 0.321 186 W C 0.121 176.752 176.519 0.187 0.000 1.037 186 W CA -0.571 56.817 57.345 0.071 0.000 1.220 186 W CB 1.193 30.661 29.460 0.013 0.000 1.361 186 W HN 0.475 nan 8.180 nan 0.000 0.468 187 E N 3.370 123.761 120.200 0.319 0.000 2.195 187 E HA 0.287 4.637 4.350 -0.000 0.000 0.271 187 E C -0.767 175.768 176.600 -0.108 0.000 0.923 187 E CA -0.882 55.591 56.400 0.122 0.000 0.790 187 E CB 1.331 31.047 29.700 0.026 0.000 1.155 187 E HN 0.351 nan 8.360 nan 0.000 0.402 188 K N 2.058 122.191 120.400 -0.445 0.000 2.249 188 K HA 0.195 4.515 4.320 -0.000 0.000 0.280 188 K C -0.783 175.605 176.600 -0.354 0.000 1.033 188 K CA -0.330 55.441 56.287 -0.860 0.000 0.946 188 K CB 0.932 32.944 32.500 -0.814 0.000 1.005 188 K HN 0.413 nan 8.250 nan 0.000 0.469 189 S N 5.204 120.746 115.700 -0.264 0.000 2.565 189 S HA 0.102 4.572 4.470 -0.000 0.000 0.276 189 S C -1.739 172.802 174.600 -0.098 0.000 1.326 189 S CA -1.354 56.783 58.200 -0.105 0.000 1.045 189 S CB 1.223 64.411 63.200 -0.019 0.000 0.918 189 S HN 0.592 nan 8.310 nan 0.000 0.505 190 P HA -0.060 nan 4.420 nan 0.000 0.214 190 P C 0.110 177.384 177.300 -0.044 0.000 1.163 190 P CA 1.158 64.225 63.100 -0.055 0.000 0.883 190 P CB 0.187 31.867 31.700 -0.033 0.000 0.788 191 E N -0.215 119.980 120.200 -0.008 0.000 2.231 191 E HA 0.268 4.618 4.350 -0.000 0.000 0.277 191 E C -2.149 174.483 176.600 0.053 0.000 0.999 191 E CA -2.303 54.105 56.400 0.014 0.000 0.827 191 E CB 0.380 30.110 29.700 0.051 0.000 1.101 191 E HN 0.159 nan 8.360 nan 0.000 0.393 192 P HA 0.080 nan 4.420 nan 0.000 0.276 192 P C 0.904 178.331 177.300 0.212 0.000 1.252 192 P CA -0.488 62.685 63.100 0.122 0.000 0.802 192 P CB 1.051 32.806 31.700 0.091 0.000 1.035 193 L N 0.344 121.703 121.223 0.227 0.000 2.042 193 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 193 L C 1.187 178.304 176.870 0.411 0.000 1.076 193 L CA 1.946 56.937 54.840 0.252 0.000 0.749 193 L CB -0.626 41.487 42.059 0.091 0.000 0.893 193 L HN 0.549 nan 8.230 nan 0.000 0.432 194 H N -3.580 115.679 119.070 0.315 0.000 2.932 194 H HA 0.370 4.926 4.556 -0.000 0.000 0.307 194 H C -1.655 173.907 175.328 0.390 0.000 1.391 194 H CA -0.274 56.011 56.048 0.395 0.000 1.130 194 H CB 1.533 31.584 29.762 0.483 0.000 1.836 194 H HN -0.021 nan 8.280 nan 0.000 0.522 195 Y N -0.050 119.997 120.300 -0.422 0.000 2.764 195 Y HA 0.544 5.094 4.550 -0.000 0.000 0.331 195 Y C -2.094 173.596 175.900 -0.350 0.000 1.280 195 Y CA -0.958 56.826 58.100 -0.527 0.000 1.065 195 Y CB 1.676 39.912 38.460 -0.373 0.000 1.319 195 Y HN 0.631 nan 8.280 nan 0.000 0.453 196 D N -0.072 120.251 120.400 -0.127 0.000 2.878 196 D HA 0.237 4.876 4.640 -0.000 0.000 0.211 196 D C -2.251 174.108 176.300 0.097 0.000 1.271 196 D CA -0.401 53.613 54.000 0.022 0.000 0.845 196 D CB 1.592 42.571 40.800 0.297 0.000 1.679 196 D HN 0.590 nan 8.370 nan 0.000 0.536 197 D N 2.322 122.787 120.400 0.108 0.000 2.325 197 D HA 0.475 5.115 4.640 -0.000 0.000 0.251 197 D C 1.289 177.642 176.300 0.088 0.000 1.196 197 D CA 1.046 55.107 54.000 0.101 0.000 0.866 197 D CB 1.436 42.295 40.800 0.100 0.000 1.101 197 D HN 0.725 nan 8.370 nan 0.000 0.476 198 G N 1.981 110.832 108.800 0.086 0.000 2.238 198 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.217 198 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.217 198 G C 1.310 176.274 174.900 0.106 0.000 0.996 198 G CA 0.570 45.720 45.100 0.083 0.000 0.632 198 G HN 0.526 nan 8.290 nan 0.000 0.503 199 S N 0.643 116.436 115.700 0.154 0.000 2.423 199 S HA 0.394 4.864 4.470 -0.000 0.000 0.231 199 S C 2.164 176.902 174.600 0.231 0.000 1.014 199 S CA 1.614 59.947 58.200 0.221 0.000 0.965 199 S CB -0.227 63.236 63.200 0.438 0.000 0.785 199 S HN 2.630 nan 8.310 nan 0.000 0.495 200 G N 1.165 110.074 108.800 0.182 0.000 2.681 200 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 200 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 200 G C -0.335 174.695 174.900 0.217 0.000 1.353 200 G CA -0.255 44.942 45.100 0.162 0.000 0.872 200 G HN 0.862 nan 8.290 nan 0.000 0.557 201 M N -0.312 119.411 119.600 0.206 0.000 2.261 201 M HA 0.436 4.916 4.480 -0.000 0.000 0.350 201 M C -0.501 176.066 176.300 0.444 0.000 1.343 201 M CA -0.292 55.152 55.300 0.241 0.000 1.003 201 M CB -0.101 32.621 32.600 0.203 0.000 1.848 201 M HN 0.480 nan 8.290 nan 0.000 0.456 202 W N 6.241 127.618 121.300 0.128 0.000 2.316 202 W HA 0.390 5.050 4.660 -0.000 0.000 0.339 202 W C -0.032 176.561 176.519 0.123 0.000 1.002 202 W CA -0.730 56.692 57.345 0.128 0.000 1.465 202 W CB -0.296 29.239 29.460 0.125 0.000 1.300 202 W HN 0.658 nan 8.180 nan 0.000 0.378 203 E N 0.753 121.131 120.200 0.297 0.000 2.312 203 E HA 0.190 4.539 4.350 -0.000 0.000 0.259 203 E C 0.338 177.016 176.600 0.130 0.000 1.122 203 E CA -0.519 56.006 56.400 0.208 0.000 0.922 203 E CB 0.992 30.819 29.700 0.212 0.000 1.109 203 E HN 0.246 nan 8.360 nan 0.000 0.442 204 C N 2.202 121.570 119.300 0.113 0.000 2.769 204 C HA -0.099 4.360 4.460 -0.000 0.000 0.222 204 C C -1.901 173.150 174.990 0.101 0.000 1.371 204 C CA -0.755 58.316 59.018 0.090 0.000 2.390 204 C CB -2.644 25.116 27.740 0.034 0.000 1.523 204 C HN 0.449 nan 8.230 nan 0.000 0.394 205 P HA 0.400 nan 4.420 nan 0.000 0.272 205 P C -0.245 177.170 177.300 0.191 0.000 1.223 205 P CA 0.608 63.800 63.100 0.152 0.000 0.784 205 P CB 0.955 32.782 31.700 0.210 0.000 0.923 206 D N 0.602 121.123 120.400 0.202 0.000 2.756 206 D HA 0.568 5.208 4.640 -0.000 0.000 0.226 206 D C -2.004 174.456 176.300 0.265 0.000 1.186 206 D CA -0.447 53.735 54.000 0.303 0.000 0.845 206 D CB 1.320 42.356 40.800 0.393 0.000 1.610 206 D HN 0.145 nan 8.370 nan 0.000 0.465 207 F N 4.484 124.487 119.950 0.088 0.000 2.915 207 F HA 0.501 5.028 4.527 -0.000 0.000 0.350 207 F C -1.908 173.802 175.800 -0.150 0.000 1.248 207 F CA -0.711 57.147 58.000 -0.235 0.000 1.084 207 F CB 0.541 39.327 39.000 -0.358 0.000 1.391 207 F HN 0.242 nan 8.300 nan 0.000 0.548 208 F N 5.005 124.590 119.950 -0.608 0.000 2.626 208 F HA 0.923 5.450 4.527 -0.000 0.000 0.311 208 F C -3.182 172.200 175.800 -0.696 0.000 1.088 208 F CA -2.791 54.913 58.000 -0.494 0.000 0.949 208 F CB 1.325 40.202 39.000 -0.206 0.000 1.322 208 F HN 0.085 nan 8.300 nan 0.000 0.461 209 P HA 0.505 nan 4.420 nan 0.000 0.282 209 P C -1.251 175.948 177.300 -0.168 0.000 1.259 209 P CA -0.515 62.149 63.100 -0.727 0.000 0.826 209 P CB 2.269 33.570 31.700 -0.664 0.000 1.064 210 V N -2.339 117.484 119.914 -0.152 0.000 2.925 210 V HA 0.567 4.687 4.120 -0.000 0.000 0.311 210 V C 0.011 176.113 176.094 0.012 0.000 1.104 210 V CA -0.790 61.520 62.300 0.016 0.000 0.954 210 V CB 1.274 33.149 31.823 0.087 0.000 1.022 210 V HN 0.574 nan 8.190 nan 0.000 0.427 211 T N 1.610 116.201 114.554 0.060 0.000 2.926 211 T HA 0.237 4.587 4.350 -0.000 0.000 0.307 211 T C 1.045 175.810 174.700 0.107 0.000 1.059 211 T CA 0.374 62.522 62.100 0.079 0.000 1.122 211 T CB 0.880 69.803 68.868 0.092 0.000 0.972 211 T HN 0.980 nan 8.240 nan 0.000 0.545 212 R N 2.733 123.307 120.500 0.124 0.000 2.092 212 R HA 0.159 4.499 4.340 -0.000 0.000 0.231 212 R C -0.263 176.169 176.300 0.220 0.000 1.119 212 R CA 1.303 57.492 56.100 0.150 0.000 0.970 212 R CB -0.267 30.123 30.300 0.151 0.000 0.864 212 R HN 0.539 nan 8.270 nan 0.000 0.440 213 F N -0.945 119.049 119.950 0.074 0.000 2.605 213 F HA 0.551 5.077 4.527 -0.000 0.000 0.320 213 F C -0.710 175.118 175.800 0.047 0.000 1.159 213 F CA 0.070 58.115 58.000 0.075 0.000 0.999 213 F CB 1.927 40.963 39.000 0.060 0.000 1.258 213 F HN 0.284 nan 8.300 nan 0.000 0.464 214 G N 2.406 111.409 108.800 0.339 0.000 2.379 214 G HA2 0.288 4.248 3.960 -0.000 0.000 0.609 214 G HA3 0.288 4.248 3.960 -0.000 0.000 0.609 214 G C -0.252 174.615 174.900 -0.055 0.000 1.484 214 G CA -0.260 44.931 45.100 0.152 0.000 0.921 214 G HN 1.282 nan 8.290 nan 0.000 0.658 215 S N 0.070 115.581 115.700 -0.315 0.000 2.575 215 S HA 0.203 4.672 4.470 -0.000 0.000 0.215 215 S C 0.670 175.039 174.600 -0.385 0.000 0.966 215 S CA 0.097 57.825 58.200 -0.787 0.000 0.911 215 S CB 0.033 62.313 63.200 -1.533 0.000 0.780 215 S HN 0.549 nan 8.310 nan 0.000 0.514 216 N N 2.171 120.775 118.700 -0.160 0.000 2.483 216 N HA 0.514 5.254 4.740 -0.000 0.000 0.269 216 N C 0.322 175.858 175.510 0.044 0.000 1.209 216 N CA 0.229 53.241 53.050 -0.064 0.000 0.969 216 N CB 0.734 39.208 38.487 -0.023 0.000 1.173 216 N HN 0.408 nan 8.380 nan 0.000 0.475 217 G N -0.622 108.232 108.800 0.091 0.000 2.539 217 G HA2 0.438 4.398 3.960 -0.000 0.000 0.258 217 G HA3 0.438 4.398 3.960 -0.000 0.000 0.258 217 G C -0.583 174.503 174.900 0.310 0.000 1.202 217 G CA -0.311 44.919 45.100 0.218 0.000 0.851 217 G HN 0.315 nan 8.290 nan 0.000 0.556 218 V N 1.248 121.262 119.914 0.168 0.000 2.555 218 V HA 0.278 4.398 4.120 -0.000 0.000 0.302 218 V C 0.202 176.041 176.094 -0.424 0.000 1.038 218 V CA -1.050 61.216 62.300 -0.057 0.000 0.887 218 V CB 1.755 33.540 31.823 -0.064 0.000 0.991 218 V HN 0.760 nan 8.190 nan 0.000 0.434 219 E N 2.019 121.739 120.200 -0.801 0.000 2.452 219 E HA 0.007 4.356 4.350 -0.000 0.000 0.261 219 E C 1.143 177.508 176.600 -0.392 0.000 0.987 219 E CA 0.382 56.188 56.400 -0.990 0.000 0.926 219 E CB 1.381 30.686 29.700 -0.658 0.000 0.934 219 E HN 0.804 nan 8.360 nan 0.000 0.452 220 T N 2.462 116.894 114.554 -0.204 0.000 2.737 220 T HA -0.130 4.219 4.350 -0.000 0.000 0.269 220 T C 1.339 176.061 174.700 0.037 0.000 1.040 220 T CA 1.716 63.824 62.100 0.012 0.000 1.142 220 T CB 0.067 69.072 68.868 0.228 0.000 0.861 220 T HN 0.277 nan 8.240 nan 0.000 0.456 221 S N 0.749 116.462 115.700 0.022 0.000 2.577 221 S HA 0.247 4.717 4.470 -0.000 0.000 0.219 221 S C 0.803 175.176 174.600 -0.377 0.000 0.962 221 S CA -0.397 57.777 58.200 -0.042 0.000 0.921 221 S CB 0.160 63.379 63.200 0.031 0.000 0.789 221 S HN 0.433 nan 8.310 nan 0.000 0.497 222 S N 1.421 116.946 115.700 -0.292 0.000 2.564 222 S HA 0.444 4.914 4.470 -0.000 0.000 0.278 222 S C -0.396 174.021 174.600 -0.306 0.000 1.333 222 S CA -0.339 57.691 58.200 -0.284 0.000 1.048 222 S CB -0.011 63.093 63.200 -0.159 0.000 0.900 222 S HN 0.177 nan 8.310 nan 0.000 0.505 223 F N 1.685 121.683 119.950 0.081 0.000 2.403 223 F HA 0.531 5.057 4.527 -0.000 0.000 0.326 223 F C 1.262 177.108 175.800 0.076 0.000 1.081 223 F CA -0.691 57.368 58.000 0.098 0.000 1.041 223 F CB 0.793 39.841 39.000 0.081 0.000 1.234 223 F HN 0.669 nan 8.300 nan 0.000 0.503 224 G N 1.386 110.367 108.800 0.302 0.000 2.365 224 G HA2 0.393 4.353 3.960 -0.000 0.000 0.293 224 G HA3 0.393 4.353 3.960 -0.000 0.000 0.293 224 G C -0.458 174.534 174.900 0.154 0.000 1.128 224 G CA -0.451 44.759 45.100 0.184 0.000 0.971 224 G HN 0.593 nan 8.290 nan 0.000 0.422 225 E N 3.329 123.602 120.200 0.122 0.000 2.410 225 E HA 0.149 4.499 4.350 -0.000 0.000 0.255 225 E C -1.343 175.297 176.600 0.066 0.000 1.194 225 E CA -1.147 55.305 56.400 0.087 0.000 0.955 225 E CB 0.582 30.327 29.700 0.074 0.000 0.988 225 E HN 0.195 nan 8.360 nan 0.000 0.461 226 P HA -0.183 nan 4.420 nan 0.000 0.220 226 P C 0.417 177.740 177.300 0.039 0.000 1.144 226 P CA 1.233 64.355 63.100 0.037 0.000 0.800 226 P CB 0.086 31.801 31.700 0.025 0.000 0.772 227 N N -1.543 117.182 118.700 0.042 0.000 2.368 227 N HA -0.031 4.709 4.740 -0.000 0.000 0.178 227 N C 0.685 176.223 175.510 0.047 0.000 1.021 227 N CA 0.596 53.669 53.050 0.038 0.000 0.875 227 N CB -0.423 38.083 38.487 0.032 0.000 1.020 227 N HN 0.061 nan 8.380 nan 0.000 0.433 228 E N 1.008 121.242 120.200 0.058 0.000 2.283 228 E HA 0.313 4.662 4.350 -0.000 0.000 0.278 228 E C -0.643 176.003 176.600 0.077 0.000 1.027 228 E CA -0.382 56.058 56.400 0.066 0.000 0.843 228 E CB 1.398 31.140 29.700 0.069 0.000 1.062 228 E HN 0.248 nan 8.360 nan 0.000 0.401 229 I N 5.520 126.139 120.570 0.081 0.000 2.330 229 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 229 I C -0.316 175.855 176.117 0.090 0.000 1.001 229 I CA -0.488 60.865 61.300 0.089 0.000 1.193 229 I CB 0.896 38.952 38.000 0.092 0.000 1.345 229 I HN 0.223 nan 8.210 nan 0.000 0.461 230 L N 6.929 128.207 121.223 0.092 0.000 2.341 230 L HA 0.532 4.872 4.340 -0.000 0.000 0.278 230 L C -0.066 176.855 176.870 0.085 0.000 1.005 230 L CA -0.952 53.925 54.840 0.063 0.000 0.818 230 L CB 1.466 43.552 42.059 0.045 0.000 1.259 230 L HN 0.460 nan 8.230 nan 0.000 0.418 231 K N 0.818 121.243 120.400 0.041 0.000 2.240 231 K HA 0.567 4.886 4.320 -0.000 0.000 0.237 231 K C -0.909 175.665 176.600 -0.044 0.000 1.027 231 K CA -0.876 55.452 56.287 0.068 0.000 0.937 231 K CB 1.282 33.817 32.500 0.058 0.000 1.171 231 K HN 0.431 nan 8.250 nan 0.000 0.479 232 H N -1.199 117.855 119.070 -0.025 0.000 2.690 232 H HA 0.436 4.992 4.556 -0.000 0.000 0.368 232 H C -1.121 174.045 175.328 -0.269 0.000 1.150 232 H CA -0.596 55.311 56.048 -0.234 0.000 1.174 232 H CB 1.738 31.359 29.762 -0.236 0.000 1.684 232 H HN 0.047 nan 8.280 nan 0.000 0.538 233 V N 3.713 123.215 119.914 -0.687 0.000 2.448 233 V HA 0.226 4.346 4.120 -0.000 0.000 0.295 233 V C -0.853 174.681 176.094 -0.933 0.000 1.025 233 V CA -0.738 61.095 62.300 -0.778 0.000 0.859 233 V CB 1.601 32.776 31.823 -1.080 0.000 0.988 233 V HN 0.434 nan 8.190 nan 0.000 0.431 234 L N 6.137 126.913 121.223 -0.744 0.000 2.287 234 L HA 0.612 4.951 4.340 -0.000 0.000 0.287 234 L C -0.315 176.367 176.870 -0.312 0.000 1.022 234 L CA 0.083 54.585 54.840 -0.564 0.000 0.814 234 L CB 1.091 42.621 42.059 -0.882 0.000 1.217 234 L HN 0.589 nan 8.230 nan 0.000 0.420 235 K N 6.975 127.275 120.400 -0.167 0.000 2.259 235 K HA 0.620 4.940 4.320 -0.000 0.000 0.252 235 K C -1.378 175.156 176.600 -0.110 0.000 0.936 235 K CA -0.609 55.630 56.287 -0.080 0.000 0.810 235 K CB 1.556 34.123 32.500 0.112 0.000 1.143 235 K HN 0.791 nan 8.250 nan 0.000 0.427 236 I N -0.718 119.747 120.570 -0.175 0.000 2.769 236 I HA 0.390 4.560 4.170 -0.000 0.000 0.298 236 I C -0.784 175.268 176.117 -0.109 0.000 1.128 236 I CA -0.769 60.409 61.300 -0.203 0.000 1.031 236 I CB 2.377 40.009 38.000 -0.613 0.000 1.235 236 I HN 0.262 nan 8.210 nan 0.000 0.423 237 S N 5.774 121.415 115.700 -0.099 0.000 2.438 237 S HA 0.578 5.048 4.470 -0.000 0.000 0.293 237 S C -0.277 174.372 174.600 0.082 0.000 1.141 237 S CA -0.615 57.463 58.200 -0.204 0.000 1.080 237 S CB 0.978 63.794 63.200 -0.640 0.000 0.978 237 S HN 0.410 nan 8.310 nan 0.000 0.479 238 L N 3.444 124.826 121.223 0.264 0.000 2.255 238 L HA 0.273 4.613 4.340 -0.000 0.000 0.289 238 L C 0.893 177.990 176.870 0.377 0.000 1.046 238 L CA -0.639 54.409 54.840 0.347 0.000 0.816 238 L CB 0.825 43.110 42.059 0.376 0.000 1.197 238 L HN 0.539 nan 8.230 nan 0.000 0.427 239 D N 1.570 122.163 120.400 0.321 0.000 2.248 239 D HA -0.295 4.344 4.640 -0.000 0.000 0.189 239 D C 1.557 177.923 176.300 0.109 0.000 1.011 239 D CA 2.011 56.128 54.000 0.194 0.000 0.868 239 D CB 0.186 41.082 40.800 0.161 0.000 0.931 239 D HN 0.694 nan 8.370 nan 0.000 0.449 240 D N -1.478 119.003 120.400 0.135 0.000 2.133 240 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 240 D C 1.808 178.140 176.300 0.053 0.000 0.997 240 D CA 2.477 56.533 54.000 0.093 0.000 0.840 240 D CB -0.128 40.743 40.800 0.119 0.000 0.947 240 D HN 0.391 nan 8.370 nan 0.000 0.452 241 T N -4.162 110.435 114.554 0.072 0.000 3.010 241 T HA 0.161 4.511 4.350 -0.000 0.000 0.257 241 T C 0.473 174.930 174.700 -0.405 0.000 1.020 241 T CA -0.216 61.863 62.100 -0.036 0.000 0.938 241 T CB 0.248 69.247 68.868 0.219 0.000 1.049 241 T HN -0.012 nan 8.240 nan 0.000 0.522 242 K N 1.019 121.285 120.400 -0.223 0.000 3.129 242 K HA -0.167 4.152 4.320 -0.000 0.000 0.273 242 K C -0.741 175.709 176.600 -0.249 0.000 1.123 242 K CA 0.886 56.948 56.287 -0.375 0.000 0.800 242 K CB -2.940 29.268 32.500 -0.486 0.000 1.238 242 K HN 0.816 nan 8.250 nan 0.000 0.492 243 H N -0.758 118.452 119.070 0.234 0.000 2.894 243 H HA 0.472 5.028 4.556 -0.000 0.000 0.368 243 H C -0.687 174.504 175.328 -0.227 0.000 1.181 243 H CA -1.203 54.810 56.048 -0.058 0.000 1.146 243 H CB 1.588 31.108 29.762 -0.403 0.000 1.839 243 H HN -0.141 nan 8.280 nan 0.000 0.557 244 D N 1.095 121.352 120.400 -0.239 0.000 2.233 244 D HA 0.216 4.856 4.640 -0.000 0.000 0.240 244 D C -0.943 175.026 176.300 -0.552 0.000 1.074 244 D CA -0.139 53.690 54.000 -0.285 0.000 0.838 244 D CB 0.850 41.644 40.800 -0.011 0.000 1.124 244 D HN 0.299 nan 8.370 nan 0.000 0.475 245 Y N 1.123 121.314 120.300 -0.181 0.000 2.549 245 Y HA 0.540 5.090 4.550 -0.000 0.000 0.339 245 Y C -0.157 175.572 175.900 -0.285 0.000 1.053 245 Y CA -1.252 56.687 58.100 -0.268 0.000 1.105 245 Y CB 1.371 39.702 38.460 -0.214 0.000 1.258 245 Y HN 0.336 nan 8.280 nan 0.000 0.478 246 Y N -1.696 118.472 120.300 -0.220 0.000 2.615 246 Y HA 0.873 5.423 4.550 -0.000 0.000 0.341 246 Y C -1.062 174.700 175.900 -0.230 0.000 1.089 246 Y CA -1.429 56.494 58.100 -0.296 0.000 1.049 246 Y CB 1.612 39.812 38.460 -0.433 0.000 1.296 246 Y HN 0.568 nan 8.280 nan 0.000 0.470 247 T N 0.319 114.800 114.554 -0.122 0.000 2.912 247 T HA 0.689 5.039 4.350 -0.000 0.000 0.299 247 T C -1.005 173.542 174.700 -0.254 0.000 1.052 247 T CA -0.643 61.235 62.100 -0.369 0.000 0.996 247 T CB 1.419 70.174 68.868 -0.188 0.000 1.070 247 T HN 0.759 nan 8.240 nan 0.000 0.465 248 I N 2.112 122.286 120.570 -0.661 0.000 2.396 248 I HA 0.685 4.855 4.170 -0.000 0.000 0.292 248 I C 0.976 177.016 176.117 -0.129 0.000 0.999 248 I CA 0.004 61.153 61.300 -0.251 0.000 1.310 248 I CB 1.240 39.135 38.000 -0.174 0.000 1.404 248 I HN 1.070 nan 8.210 nan 0.000 0.496 249 G N 3.229 112.087 108.800 0.096 0.000 2.634 249 G HA2 0.615 4.575 3.960 -0.000 0.000 0.309 249 G HA3 0.615 4.575 3.960 -0.000 0.000 0.309 249 G C -1.104 173.786 174.900 -0.017 0.000 1.299 249 G CA -0.420 44.576 45.100 -0.174 0.000 0.798 249 G HN 0.514 nan 8.290 nan 0.000 0.490 250 T N -2.594 111.871 114.554 -0.148 0.000 2.940 250 T HA 0.581 4.930 4.350 -0.000 0.000 0.288 250 T C -1.364 173.413 174.700 0.129 0.000 1.033 250 T CA -0.631 61.507 62.100 0.064 0.000 1.033 250 T CB 2.154 71.048 68.868 0.043 0.000 1.079 250 T HN 0.763 nan 8.240 nan 0.000 0.496 251 Y N 1.999 122.332 120.300 0.054 0.000 2.491 251 Y HA 0.336 4.886 4.550 -0.000 0.000 0.334 251 Y C -0.239 175.701 175.900 0.067 0.000 0.969 251 Y CA -2.099 56.036 58.100 0.059 0.000 1.241 251 Y CB 0.254 38.531 38.460 -0.305 0.000 1.105 251 Y HN 0.787 nan 8.280 nan 0.000 0.503 252 D N 6.002 126.448 120.400 0.076 0.000 2.357 252 D HA 0.035 4.675 4.640 -0.000 0.000 0.265 252 D C 0.854 177.006 176.300 -0.246 0.000 1.334 252 D CA 0.269 54.236 54.000 -0.055 0.000 0.984 252 D CB 0.609 41.431 40.800 0.036 0.000 1.077 252 D HN 0.714 nan 8.370 nan 0.000 0.514 253 R N 2.418 122.687 120.500 -0.385 0.000 2.235 253 R HA -0.029 4.311 4.340 -0.000 0.000 0.213 253 R C 1.781 178.002 176.300 -0.131 0.000 1.059 253 R CA 0.359 56.211 56.100 -0.414 0.000 0.997 253 R CB 0.149 30.275 30.300 -0.291 0.000 0.884 253 R HN 0.321 nan 8.270 nan 0.000 0.462 254 V N 1.413 121.282 119.914 -0.075 0.000 2.283 254 V HA -0.195 3.924 4.120 -0.000 0.000 0.243 254 V C 2.129 178.229 176.094 0.011 0.000 1.039 254 V CA 1.645 63.933 62.300 -0.021 0.000 1.016 254 V CB -0.320 31.496 31.823 -0.013 0.000 0.650 254 V HN 0.225 nan 8.190 nan 0.000 0.449 255 K N -0.824 119.590 120.400 0.024 0.000 2.217 255 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 255 K C 0.714 177.376 176.600 0.103 0.000 1.051 255 K CA 0.971 57.296 56.287 0.064 0.000 0.952 255 K CB -0.010 32.537 32.500 0.079 0.000 0.736 255 K HN 0.394 nan 8.250 nan 0.000 0.453 256 D N 0.461 120.928 120.400 0.111 0.000 2.809 256 D HA -0.120 4.520 4.640 -0.000 0.000 0.234 256 D C -1.133 175.375 176.300 0.346 0.000 1.111 256 D CA 0.980 55.127 54.000 0.244 0.000 0.726 256 D CB -0.873 40.062 40.800 0.225 0.000 1.089 256 D HN 0.186 nan 8.370 nan 0.000 0.436 257 K N -0.295 120.308 120.400 0.338 0.000 2.444 257 K HA 0.572 4.892 4.320 -0.000 0.000 0.252 257 K C -0.567 176.302 176.600 0.448 0.000 0.993 257 K CA -0.947 55.553 56.287 0.356 0.000 0.847 257 K CB 1.453 34.113 32.500 0.267 0.000 1.340 257 K HN -0.006 nan 8.250 nan 0.000 0.446 258 F N 1.688 121.767 119.950 0.215 0.000 2.415 258 F HA 0.380 4.907 4.527 -0.000 0.000 0.348 258 F C -0.871 174.934 175.800 0.008 0.000 1.119 258 F CA -0.705 57.375 58.000 0.133 0.000 1.069 258 F CB 1.090 40.118 39.000 0.046 0.000 1.124 258 F HN 0.054 nan 8.300 nan 0.000 0.472 259 V N 8.260 127.792 119.914 -0.636 0.000 2.326 259 V HA 0.341 4.461 4.120 -0.000 0.000 0.281 259 V C -2.221 173.369 176.094 -0.840 0.000 1.015 259 V CA -1.937 60.048 62.300 -0.525 0.000 0.823 259 V CB 1.094 32.796 31.823 -0.202 0.000 1.009 259 V HN 0.641 nan 8.190 nan 0.000 0.436 260 P HA 0.147 nan 4.420 nan 0.000 0.269 260 P C -0.412 176.832 177.300 -0.093 0.000 1.209 260 P CA -0.237 62.619 63.100 -0.407 0.000 0.776 260 P CB 0.522 32.184 31.700 -0.064 0.000 0.876 261 D N 0.827 121.287 120.400 0.100 0.000 2.400 261 D HA -0.030 4.610 4.640 -0.000 0.000 0.238 261 D C 0.689 177.117 176.300 0.215 0.000 1.157 261 D CA 0.274 54.397 54.000 0.205 0.000 0.889 261 D CB -0.013 40.988 40.800 0.335 0.000 1.199 261 D HN 0.343 nan 8.370 nan 0.000 0.436 262 N N 0.091 118.842 118.700 0.085 0.000 2.353 262 N HA 0.000 4.740 4.740 -0.000 0.000 0.248 262 N C 1.130 176.600 175.510 -0.067 0.000 1.240 262 N CA 1.055 54.117 53.050 0.020 0.000 0.862 262 N CB 0.364 38.852 38.487 0.002 0.000 1.086 262 N HN 0.603 nan 8.380 nan 0.000 0.453 263 G N 2.509 111.259 108.800 -0.084 0.000 2.225 263 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.254 263 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.254 263 G C -0.041 174.711 174.900 -0.247 0.000 0.988 263 G CA -0.171 44.812 45.100 -0.196 0.000 0.625 263 G HN 0.560 nan 8.290 nan 0.000 0.527 264 F N 1.148 121.102 119.950 0.006 0.000 2.404 264 F HA 0.675 5.202 4.527 -0.000 0.000 0.339 264 F C 0.630 176.444 175.800 0.023 0.000 1.105 264 F CA -0.412 57.594 58.000 0.009 0.000 1.087 264 F CB 1.698 40.708 39.000 0.017 0.000 1.143 264 F HN -0.024 nan 8.300 nan 0.000 0.491 265 K N 3.173 123.719 120.400 0.244 0.000 2.427 265 K HA 0.435 4.755 4.320 -0.000 0.000 0.252 265 K C -1.065 175.628 176.600 0.154 0.000 0.931 265 K CA -1.101 55.292 56.287 0.177 0.000 0.793 265 K CB 1.770 34.332 32.500 0.105 0.000 1.211 265 K HN 0.577 nan 8.250 nan 0.000 0.426 266 M N 5.157 124.883 119.600 0.210 0.000 3.213 266 M HA 0.133 4.613 4.480 -0.000 0.000 0.275 266 M C -1.284 175.054 176.300 0.063 0.000 1.424 266 M CA 0.240 55.617 55.300 0.128 0.000 1.561 266 M CB -0.730 32.039 32.600 0.282 0.000 1.109 266 M HN 0.662 nan 8.290 nan 0.000 0.552 267 D N 0.066 120.417 120.400 -0.081 0.000 3.309 267 D HA 0.338 4.977 4.640 -0.000 0.000 0.335 267 D C 0.844 176.822 176.300 -0.537 0.000 1.393 267 D CA -0.064 53.836 54.000 -0.166 0.000 0.963 267 D CB -0.315 40.478 40.800 -0.010 0.000 1.431 267 D HN 0.154 nan 8.370 nan 0.000 0.583 268 G N -0.862 107.629 108.800 -0.515 0.000 2.448 268 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 268 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 268 G C 1.288 175.965 174.900 -0.373 0.000 1.127 268 G CA 1.940 46.615 45.100 -0.709 0.000 0.766 268 G HN 0.726 nan 8.290 nan 0.000 0.552 269 T N -1.285 113.163 114.554 -0.176 0.000 3.118 269 T HA 0.499 4.849 4.350 -0.000 0.000 0.260 269 T C 1.331 176.034 174.700 0.005 0.000 1.139 269 T CA 0.568 62.648 62.100 -0.033 0.000 1.085 269 T CB -0.031 68.836 68.868 -0.001 0.000 0.934 269 T HN 0.393 nan 8.240 nan 0.000 0.518 270 A N 3.144 125.930 122.820 -0.057 0.000 2.386 270 A HA 0.553 4.873 4.320 -0.000 0.000 0.246 270 A C -1.878 175.752 177.584 0.077 0.000 1.089 270 A CA -1.490 50.562 52.037 0.025 0.000 0.790 270 A CB -0.107 18.865 19.000 -0.047 0.000 1.042 270 A HN 0.337 nan 8.150 nan 0.000 0.497 271 P HA 0.307 nan 4.420 nan 0.000 0.274 271 P C -0.768 176.279 177.300 -0.422 0.000 1.246 271 P CA -0.057 62.935 63.100 -0.178 0.000 0.795 271 P CB 0.616 32.108 31.700 -0.346 0.000 1.006 272 R N -0.110 120.136 120.500 -0.424 0.000 2.832 272 R HA 0.349 4.688 4.340 -0.000 0.000 0.271 272 R C 0.946 177.120 176.300 -0.209 0.000 0.996 272 R CA -0.602 55.135 56.100 -0.605 0.000 0.977 272 R CB 0.570 30.159 30.300 -1.185 0.000 1.168 272 R HN 0.367 nan 8.270 nan 0.000 0.482 273 Y N -0.066 120.200 120.300 -0.057 0.000 2.163 273 Y HA -0.068 4.481 4.550 -0.000 0.000 0.288 273 Y C 0.846 176.553 175.900 -0.322 0.000 1.136 273 Y CA 1.171 59.206 58.100 -0.108 0.000 1.147 273 Y CB 0.243 38.578 38.460 -0.208 0.000 0.987 273 Y HN 0.441 nan 8.280 nan 0.000 0.509 274 D N -2.224 117.952 120.400 -0.373 0.000 2.879 274 D HA 0.122 4.761 4.640 -0.000 0.000 0.236 274 D C -1.244 174.742 176.300 -0.524 0.000 1.171 274 D CA -0.618 53.118 54.000 -0.439 0.000 0.868 274 D CB 1.150 41.508 40.800 -0.737 0.000 1.598 274 D HN 0.045 nan 8.370 nan 0.000 0.497 275 Y N 1.174 121.288 120.300 -0.310 0.000 2.607 275 Y HA 0.336 4.886 4.550 -0.000 0.000 0.266 275 Y C 1.308 176.916 175.900 -0.487 0.000 1.178 275 Y CA -0.288 57.608 58.100 -0.341 0.000 1.226 275 Y CB 1.441 39.755 38.460 -0.242 0.000 1.144 275 Y HN 0.427 nan 8.280 nan 0.000 0.528 276 G N -0.045 108.433 108.800 -0.536 0.000 3.414 276 G HA2 0.235 4.194 3.960 -0.000 0.000 0.189 276 G HA3 0.235 4.194 3.960 -0.000 0.000 0.189 276 G C -0.934 173.478 174.900 -0.813 0.000 1.329 276 G CA -0.594 43.795 45.100 -1.185 0.000 0.851 276 G HN -0.072 nan 8.290 nan 0.000 0.671 277 K N -0.114 119.964 120.400 -0.536 0.000 2.299 277 K HA 0.585 4.905 4.320 -0.000 0.000 0.268 277 K C -2.109 174.449 176.600 -0.071 0.000 1.075 277 K CA -0.569 55.575 56.287 -0.240 0.000 0.936 277 K CB 0.105 32.512 32.500 -0.156 0.000 1.228 277 K HN 0.402 nan 8.250 nan 0.000 0.454 278 Y N 3.649 123.833 120.300 -0.194 0.000 2.376 278 Y HA 0.373 4.923 4.550 -0.000 0.000 0.321 278 Y C -2.148 173.769 175.900 0.028 0.000 1.189 278 Y CA -0.788 57.249 58.100 -0.106 0.000 1.069 278 Y CB 1.031 39.431 38.460 -0.101 0.000 1.292 278 Y HN 0.608 nan 8.280 nan 0.000 0.430 279 Y N 3.388 123.491 120.300 -0.327 0.000 2.624 279 Y HA 0.540 5.090 4.550 -0.000 0.000 0.334 279 Y C 0.071 176.011 175.900 0.068 0.000 1.155 279 Y CA -0.420 57.622 58.100 -0.098 0.000 1.046 279 Y CB 2.005 40.363 38.460 -0.170 0.000 1.316 279 Y HN 0.970 nan 8.280 nan 0.000 0.457 280 A N 1.740 124.388 122.820 -0.287 0.000 2.832 280 A HA -0.160 4.160 4.320 -0.000 0.000 0.280 280 A C 0.131 177.728 177.584 0.022 0.000 1.464 280 A CA 1.001 53.012 52.037 -0.044 0.000 0.804 280 A CB -2.472 16.707 19.000 0.298 0.000 1.020 280 A HN 1.502 nan 8.150 nan 0.000 0.563 281 S N -0.900 114.807 115.700 0.013 0.000 2.580 281 S HA 0.627 5.096 4.470 -0.000 0.000 0.274 281 S C -0.251 174.452 174.600 0.172 0.000 1.329 281 S CA 0.308 58.564 58.200 0.094 0.000 1.036 281 S CB 1.766 65.112 63.200 0.242 0.000 0.919 281 S HN 0.943 nan 8.310 nan 0.000 0.515 282 K N 0.997 121.508 120.400 0.186 0.000 2.501 282 K HA 0.454 4.774 4.320 -0.000 0.000 0.252 282 K C -0.751 175.990 176.600 0.235 0.000 0.934 282 K CA -0.470 55.944 56.287 0.213 0.000 0.797 282 K CB 1.954 34.563 32.500 0.182 0.000 1.270 282 K HN 0.916 nan 8.250 nan 0.000 0.431 283 T N 0.266 114.924 114.554 0.173 0.000 2.943 283 T HA 0.728 5.078 4.350 -0.000 0.000 0.284 283 T C -0.286 174.588 174.700 0.290 0.000 1.015 283 T CA -0.684 61.460 62.100 0.072 0.000 1.042 283 T CB 0.580 69.222 68.868 -0.377 0.000 1.055 283 T HN 0.477 nan 8.240 nan 0.000 0.500 284 F N -0.353 119.644 119.950 0.079 0.000 2.643 284 F HA 0.770 5.297 4.527 -0.000 0.000 0.314 284 F C -1.629 174.284 175.800 0.189 0.000 1.096 284 F CA -2.091 56.018 58.000 0.182 0.000 0.953 284 F CB 1.392 40.556 39.000 0.273 0.000 1.345 284 F HN 0.581 nan 8.300 nan 0.000 0.468 285 F N 2.893 122.861 119.950 0.030 0.000 2.375 285 F HA 0.314 4.841 4.527 -0.000 0.000 0.362 285 F C 0.022 175.791 175.800 -0.052 0.000 1.129 285 F CA -0.781 57.170 58.000 -0.083 0.000 1.154 285 F CB 0.130 39.170 39.000 0.067 0.000 1.205 285 F HN 0.587 nan 8.300 nan 0.000 0.513 286 D N 3.637 123.578 120.400 -0.765 0.000 2.383 286 D HA 0.042 4.682 4.640 -0.000 0.000 0.245 286 D C 1.082 176.933 176.300 -0.748 0.000 1.263 286 D CA 0.273 53.999 54.000 -0.457 0.000 0.936 286 D CB 0.749 41.357 40.800 -0.321 0.000 1.053 286 D HN 0.533 nan 8.370 nan 0.000 0.507 287 S N 2.610 117.999 115.700 -0.518 0.000 2.428 287 S HA -0.114 4.356 4.470 -0.000 0.000 0.230 287 S C 2.050 176.559 174.600 -0.151 0.000 1.014 287 S CA 0.465 58.458 58.200 -0.345 0.000 0.957 287 S CB -0.105 63.158 63.200 0.104 0.000 0.784 287 S HN 0.432 nan 8.310 nan 0.000 0.499 288 A N 2.262 125.024 122.820 -0.097 0.000 1.902 288 A HA 0.011 4.330 4.320 -0.000 0.000 0.217 288 A C 2.070 179.620 177.584 -0.057 0.000 1.181 288 A CA 1.418 53.422 52.037 -0.055 0.000 0.623 288 A CB -0.300 18.674 19.000 -0.045 0.000 0.818 288 A HN 0.564 nan 8.150 nan 0.000 0.443 289 K N -1.771 118.578 120.400 -0.086 0.000 2.447 289 K HA 0.184 4.504 4.320 -0.000 0.000 0.205 289 K C -0.609 175.905 176.600 -0.144 0.000 1.059 289 K CA -0.095 56.138 56.287 -0.090 0.000 1.065 289 K CB 0.394 32.858 32.500 -0.059 0.000 0.885 289 K HN 0.431 nan 8.250 nan 0.000 0.545 290 N N 2.652 121.215 118.700 -0.229 0.000 2.608 290 N HA -0.199 4.541 4.740 -0.000 0.000 0.273 290 N C -1.592 173.799 175.510 -0.198 0.000 1.133 290 N CA 0.835 53.751 53.050 -0.223 0.000 0.726 290 N CB -0.484 37.975 38.487 -0.047 0.000 0.890 290 N HN 0.405 nan 8.380 nan 0.000 0.548 291 R N -0.886 119.418 120.500 -0.326 0.000 2.579 291 R HA 0.427 4.767 4.340 -0.000 0.000 0.260 291 R C -1.126 175.007 176.300 -0.279 0.000 1.103 291 R CA -1.085 54.887 56.100 -0.212 0.000 0.942 291 R CB 1.209 31.392 30.300 -0.195 0.000 1.251 291 R HN 0.184 nan 8.270 nan 0.000 0.450 292 R N 2.933 123.346 120.500 -0.146 0.000 2.298 292 R HA 0.388 4.728 4.340 -0.000 0.000 0.310 292 R C -0.739 175.370 176.300 -0.318 0.000 1.068 292 R CA -0.199 55.764 56.100 -0.228 0.000 0.957 292 R CB 0.669 30.846 30.300 -0.206 0.000 1.003 292 R HN 0.647 nan 8.270 nan 0.000 0.454 293 I N 5.454 125.732 120.570 -0.487 0.000 2.404 293 I HA 0.238 4.408 4.170 -0.000 0.000 0.293 293 I C -0.868 175.079 176.117 -0.283 0.000 0.992 293 I CA -1.064 59.975 61.300 -0.435 0.000 1.149 293 I CB 1.795 39.442 38.000 -0.589 0.000 1.315 293 I HN 0.483 nan 8.210 nan 0.000 0.446 294 L N 7.098 128.152 121.223 -0.283 0.000 2.296 294 L HA 0.495 4.835 4.340 -0.000 0.000 0.286 294 L C -1.502 175.265 176.870 -0.172 0.000 1.023 294 L CA -0.019 54.698 54.840 -0.204 0.000 0.812 294 L CB 0.819 42.675 42.059 -0.339 0.000 1.223 294 L HN 0.438 nan 8.230 nan 0.000 0.421 295 W N 3.895 125.210 121.300 0.026 0.000 2.496 295 W HA 0.734 5.394 4.660 -0.000 0.000 0.327 295 W C 0.383 176.872 176.519 -0.050 0.000 1.086 295 W CA -0.441 56.907 57.345 0.006 0.000 1.222 295 W CB 2.199 31.646 29.460 -0.022 0.000 1.304 295 W HN 0.745 nan 8.180 nan 0.000 0.547 296 G N 1.753 110.655 108.800 0.170 0.000 2.682 296 G HA2 0.427 4.387 3.960 -0.000 0.000 0.300 296 G HA3 0.427 4.387 3.960 -0.000 0.000 0.300 296 G C -2.592 172.210 174.900 -0.163 0.000 1.391 296 G CA -0.854 44.029 45.100 -0.361 0.000 0.990 296 G HN 0.462 nan 8.290 nan 0.000 0.501 297 W N 2.561 123.649 121.300 -0.354 0.000 2.349 297 W HA 0.678 5.337 4.660 -0.000 0.000 0.309 297 W C -0.687 175.738 176.519 -0.157 0.000 1.083 297 W CA -0.984 56.253 57.345 -0.179 0.000 1.224 297 W CB 1.636 31.032 29.460 -0.106 0.000 1.256 297 W HN 0.384 nan 8.180 nan 0.000 0.461 298 T N 7.840 122.208 114.554 -0.311 0.000 2.893 298 T HA 0.126 4.476 4.350 -0.000 0.000 0.324 298 T C 0.412 174.846 174.700 -0.443 0.000 1.082 298 T CA -0.725 61.119 62.100 -0.427 0.000 0.983 298 T CB -0.050 68.734 68.868 -0.141 0.000 1.005 298 T HN 0.535 nan 8.240 nan 0.000 0.475 299 N N 2.913 121.143 118.700 -0.784 0.000 2.255 299 N HA 0.043 4.782 4.740 -0.000 0.000 0.253 299 N C -0.175 175.279 175.510 -0.094 0.000 1.313 299 N CA -0.312 52.548 53.050 -0.317 0.000 0.912 299 N CB 0.468 38.751 38.487 -0.341 0.000 1.145 299 N HN 0.305 nan 8.380 nan 0.000 0.511 300 E N -0.826 119.378 120.200 0.007 0.000 2.343 300 E HA 0.166 4.516 4.350 -0.000 0.000 0.269 300 E C -0.180 176.448 176.600 0.047 0.000 1.047 300 E CA -0.302 56.140 56.400 0.069 0.000 0.874 300 E CB 0.820 30.498 29.700 -0.037 0.000 1.033 300 E HN 0.587 nan 8.360 nan 0.000 0.409 301 S N 0.428 116.229 115.700 0.168 0.000 2.557 301 S HA 0.038 4.508 4.470 -0.000 0.000 0.223 301 S C 0.609 175.184 174.600 -0.041 0.000 0.969 301 S CA -0.236 58.035 58.200 0.118 0.000 0.927 301 S CB 0.216 63.539 63.200 0.204 0.000 0.806 301 S HN 0.506 nan 8.310 nan 0.000 0.489 302 S N 1.667 117.136 115.700 -0.385 0.000 2.681 302 S HA 0.549 5.019 4.470 -0.000 0.000 0.270 302 S C 0.459 174.877 174.600 -0.304 0.000 1.209 302 S CA -0.750 57.094 58.200 -0.592 0.000 0.988 302 S CB 0.809 63.326 63.200 -1.139 0.000 1.006 302 S HN 0.345 nan 8.310 nan 0.000 0.558 303 S N -0.289 115.257 115.700 -0.256 0.000 2.600 303 S HA 0.158 4.628 4.470 -0.000 0.000 0.265 303 S C 1.038 175.554 174.600 -0.140 0.000 1.325 303 S CA -0.306 57.801 58.200 -0.155 0.000 1.002 303 S CB 0.820 63.944 63.200 -0.126 0.000 0.921 303 S HN 0.962 nan 8.310 nan 0.000 0.554 304 V N 1.483 121.348 119.914 -0.082 0.000 2.407 304 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 304 V C 2.318 178.370 176.094 -0.071 0.000 1.055 304 V CA 2.457 64.724 62.300 -0.055 0.000 1.049 304 V CB -1.166 30.640 31.823 -0.028 0.000 0.662 304 V HN 0.977 nan 8.190 nan 0.000 0.455 305 E N 0.099 120.254 120.200 -0.075 0.000 2.058 305 E HA -0.230 4.119 4.350 -0.000 0.000 0.194 305 E C 1.938 178.482 176.600 -0.093 0.000 0.997 305 E CA 1.881 58.239 56.400 -0.071 0.000 0.801 305 E CB -0.271 29.392 29.700 -0.062 0.000 0.746 305 E HN 0.633 nan 8.360 nan 0.000 0.450 306 D N 0.289 120.610 120.400 -0.132 0.000 2.144 306 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 306 D C 1.302 177.470 176.300 -0.221 0.000 0.978 306 D CA 0.950 54.848 54.000 -0.170 0.000 0.833 306 D CB -0.240 40.417 40.800 -0.239 0.000 0.961 306 D HN 0.130 nan 8.370 nan 0.000 0.470 307 D N -0.199 120.066 120.400 -0.225 0.000 2.097 307 D HA -0.094 4.545 4.640 -0.000 0.000 0.195 307 D C 2.286 178.494 176.300 -0.153 0.000 0.989 307 D CA 0.483 54.337 54.000 -0.243 0.000 0.827 307 D CB -0.399 40.326 40.800 -0.124 0.000 0.966 307 D HN 0.049 nan 8.370 nan 0.000 0.456 308 V N 1.073 120.938 119.914 -0.082 0.000 2.332 308 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 308 V C 2.431 178.499 176.094 -0.044 0.000 1.055 308 V CA 1.792 64.066 62.300 -0.043 0.000 1.038 308 V CB -0.432 31.371 31.823 -0.034 0.000 0.651 308 V HN 0.259 nan 8.190 nan 0.000 0.450 309 E N 0.912 121.076 120.200 -0.061 0.000 2.072 309 E HA -0.264 4.086 4.350 -0.000 0.000 0.191 309 E C 2.281 178.863 176.600 -0.030 0.000 0.985 309 E CA 1.605 57.981 56.400 -0.039 0.000 0.801 309 E CB -0.067 29.608 29.700 -0.041 0.000 0.750 309 E HN 0.760 nan 8.360 nan 0.000 0.452 310 K N -0.885 119.462 120.400 -0.089 0.000 2.296 310 K HA 0.011 4.330 4.320 -0.000 0.000 0.200 310 K C 1.254 177.874 176.600 0.033 0.000 1.048 310 K CA 1.108 57.357 56.287 -0.064 0.000 0.966 310 K CB 0.205 32.568 32.500 -0.229 0.000 0.754 310 K HN 0.213 nan 8.250 nan 0.000 0.466 311 G N 1.303 110.096 108.800 -0.012 0.000 2.141 311 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.231 311 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.231 311 G C -0.343 174.719 174.900 0.270 0.000 0.984 311 G CA 0.264 45.441 45.100 0.129 0.000 0.660 311 G HN 0.518 nan 8.290 nan 0.000 0.525 312 W N -1.529 119.828 121.300 0.095 0.000 3.066 312 W HA 0.786 5.446 4.660 -0.000 0.000 0.330 312 W C -0.787 175.806 176.519 0.123 0.000 1.253 312 W CA -0.784 56.631 57.345 0.116 0.000 1.187 312 W CB 1.081 30.595 29.460 0.089 0.000 1.434 312 W HN 0.790 nan 8.180 nan 0.000 0.572 313 S N 0.909 116.857 115.700 0.413 0.000 2.584 313 S HA 0.604 5.074 4.470 -0.000 0.000 0.280 313 S C -0.522 174.164 174.600 0.143 0.000 1.162 313 S CA 0.617 58.941 58.200 0.206 0.000 0.951 313 S CB 0.527 63.870 63.200 0.239 0.000 1.108 313 S HN 2.140 nan 8.310 nan 0.000 0.464 314 G N 3.147 112.063 108.800 0.194 0.000 2.907 314 G HA2 0.138 4.097 3.960 -0.000 0.000 0.686 314 G HA3 0.138 4.097 3.960 -0.000 0.000 0.686 314 G C -0.847 174.165 174.900 0.187 0.000 1.115 314 G CA -0.331 44.863 45.100 0.157 0.000 0.760 314 G HN 1.724 nan 8.290 nan 0.000 0.620 315 I N -1.888 118.794 120.570 0.188 0.000 3.174 315 I HA 0.846 5.016 4.170 -0.000 0.000 0.313 315 I C -0.502 175.725 176.117 0.184 0.000 1.155 315 I CA -1.458 59.909 61.300 0.111 0.000 0.977 315 I CB 2.229 40.261 38.000 0.054 0.000 1.248 315 I HN 0.483 nan 8.210 nan 0.000 0.453 316 Q N 2.296 122.217 119.800 0.201 0.000 2.235 316 Q HA 0.360 4.699 4.340 -0.000 0.000 0.256 316 Q C -0.131 176.064 176.000 0.325 0.000 0.951 316 Q CA -0.528 55.434 55.803 0.265 0.000 0.890 316 Q CB 1.919 30.839 28.738 0.303 0.000 1.279 316 Q HN 0.877 nan 8.270 nan 0.000 0.444 317 T N -1.836 112.899 114.554 0.301 0.000 2.701 317 T HA 0.254 4.604 4.350 -0.000 0.000 0.303 317 T C 0.841 175.703 174.700 0.269 0.000 1.030 317 T CA -0.722 61.592 62.100 0.356 0.000 1.010 317 T CB 0.412 69.489 68.868 0.348 0.000 1.007 317 T HN 0.369 nan 8.240 nan 0.000 0.532 318 I N 2.769 123.429 120.570 0.149 0.000 2.618 318 I HA 0.185 4.355 4.170 -0.000 0.000 0.284 318 I C -1.881 174.146 176.117 -0.150 0.000 1.146 318 I CA -2.411 58.864 61.300 -0.041 0.000 1.425 318 I CB -0.165 37.787 38.000 -0.080 0.000 1.383 318 I HN 0.542 nan 8.210 nan 0.000 0.562 319 P HA 0.083 nan 4.420 nan 0.000 0.266 319 P C -0.666 176.406 177.300 -0.380 0.000 1.195 319 P CA 0.054 62.739 63.100 -0.691 0.000 0.768 319 P CB 0.328 31.367 31.700 -1.103 0.000 0.838 320 R N 1.538 121.855 120.500 -0.306 0.000 2.561 320 R HA 0.461 4.801 4.340 -0.000 0.000 0.297 320 R C -0.391 175.815 176.300 -0.157 0.000 0.969 320 R CA -1.122 54.863 56.100 -0.191 0.000 0.879 320 R CB 1.545 31.782 30.300 -0.106 0.000 1.178 320 R HN 0.335 nan 8.270 nan 0.000 0.445 321 K N 4.425 124.797 120.400 -0.046 0.000 2.412 321 K HA 0.170 4.490 4.320 -0.000 0.000 0.281 321 K C -0.060 176.650 176.600 0.184 0.000 1.027 321 K CA -0.200 56.130 56.287 0.070 0.000 0.989 321 K CB 0.442 33.048 32.500 0.176 0.000 0.935 321 K HN 0.716 nan 8.250 nan 0.000 0.475 322 I N 1.540 122.184 120.570 0.123 0.000 2.785 322 I HA 0.796 4.966 4.170 -0.000 0.000 0.302 322 I C -1.312 174.972 176.117 0.278 0.000 1.069 322 I CA -0.943 60.362 61.300 0.008 0.000 1.045 322 I CB 1.448 39.338 38.000 -0.183 0.000 1.236 322 I HN 0.928 nan 8.210 nan 0.000 0.429 323 W N 3.456 124.727 121.300 -0.048 0.000 2.937 323 W HA 0.623 5.283 4.660 -0.000 0.000 0.360 323 W C -2.512 173.991 176.519 -0.028 0.000 1.215 323 W CA -1.160 56.164 57.345 -0.036 0.000 1.183 323 W CB 0.603 30.033 29.460 -0.051 0.000 1.458 323 W HN 0.536 nan 8.180 nan 0.000 0.574 324 L N 3.380 124.704 121.223 0.170 0.000 2.371 324 L HA 0.189 4.529 4.340 -0.000 0.000 0.272 324 L C 0.523 177.405 176.870 0.020 0.000 1.124 324 L CA -0.254 54.613 54.840 0.045 0.000 0.816 324 L CB 0.529 42.629 42.059 0.067 0.000 1.129 324 L HN 0.636 nan 8.230 nan 0.000 0.448 325 D N 4.060 124.421 120.400 -0.064 0.000 2.383 325 D HA 0.071 4.711 4.640 -0.000 0.000 0.248 325 D C 0.804 176.975 176.300 -0.215 0.000 1.170 325 D CA -0.463 53.473 54.000 -0.107 0.000 0.977 325 D CB 0.866 41.626 40.800 -0.067 0.000 1.120 325 D HN 0.484 nan 8.370 nan 0.000 0.481 326 R N -0.137 120.165 120.500 -0.330 0.000 2.103 326 R HA -0.165 4.174 4.340 -0.000 0.000 0.242 326 R C 2.304 178.592 176.300 -0.020 0.000 1.142 326 R CA 2.129 57.984 56.100 -0.408 0.000 0.960 326 R CB -0.560 29.702 30.300 -0.064 0.000 0.858 326 R HN 0.670 nan 8.270 nan 0.000 0.439 327 S N -0.714 115.002 115.700 0.026 0.000 2.453 327 S HA 0.024 4.494 4.470 -0.000 0.000 0.231 327 S C 1.556 176.211 174.600 0.093 0.000 1.005 327 S CA 0.690 58.938 58.200 0.080 0.000 0.949 327 S CB 0.224 63.468 63.200 0.073 0.000 0.774 327 S HN 0.578 nan 8.310 nan 0.000 0.510 328 G N 1.264 110.111 108.800 0.077 0.000 2.143 328 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 328 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 328 G C 0.659 175.662 174.900 0.173 0.000 0.991 328 G CA 0.609 45.776 45.100 0.112 0.000 0.689 328 G HN 0.576 nan 8.290 nan 0.000 0.522 329 K N -0.463 120.040 120.400 0.172 0.000 2.334 329 K HA 0.191 4.511 4.320 -0.000 0.000 0.195 329 K C 1.229 178.030 176.600 0.335 0.000 1.045 329 K CA 1.231 57.663 56.287 0.242 0.000 1.004 329 K CB 0.300 32.883 32.500 0.138 0.000 0.837 329 K HN 0.804 nan 8.250 nan 0.000 0.510 330 Q N -0.365 119.585 119.800 0.250 0.000 2.648 330 Q HA 0.425 4.765 4.340 -0.000 0.000 0.300 330 Q C -1.263 174.835 176.000 0.163 0.000 0.954 330 Q CA -0.948 55.038 55.803 0.306 0.000 0.757 330 Q CB 1.039 29.943 28.738 0.278 0.000 1.482 330 Q HN -0.116 nan 8.270 nan 0.000 0.437 331 L N 1.006 122.310 121.223 0.135 0.000 2.343 331 L HA 0.519 4.859 4.340 -0.000 0.000 0.275 331 L C -0.392 176.366 176.870 -0.187 0.000 1.056 331 L CA -1.123 53.650 54.840 -0.112 0.000 0.804 331 L CB 1.000 42.895 42.059 -0.273 0.000 1.203 331 L HN 0.529 nan 8.230 nan 0.000 0.440 332 I N 1.851 122.114 120.570 -0.513 0.000 2.392 332 I HA 0.391 4.561 4.170 -0.000 0.000 0.295 332 I C -0.206 175.402 176.117 -0.850 0.000 0.985 332 I CA -0.432 60.435 61.300 -0.721 0.000 1.221 332 I CB 1.535 38.820 38.000 -1.191 0.000 1.366 332 I HN 0.689 nan 8.210 nan 0.000 0.467 333 Q N 5.170 124.719 119.800 -0.418 0.000 2.413 333 Q HA 0.560 4.900 4.340 -0.000 0.000 0.276 333 Q C -1.399 174.646 176.000 0.075 0.000 1.099 333 Q CA -0.708 54.962 55.803 -0.222 0.000 0.814 333 Q CB 3.365 32.068 28.738 -0.059 0.000 1.379 333 Q HN 0.651 nan 8.270 nan 0.000 0.436 334 W N 2.156 123.348 121.300 -0.179 0.000 3.573 334 W HA 0.307 4.967 4.660 -0.000 0.000 0.306 334 W C -3.017 173.352 176.519 -0.250 0.000 1.227 334 W CA -1.927 55.280 57.345 -0.229 0.000 1.212 334 W CB 1.817 31.283 29.460 0.009 0.000 1.331 334 W HN 0.435 nan 8.180 nan 0.000 0.524 335 P HA -0.082 nan 4.420 nan 0.000 0.264 335 P C 0.174 177.285 177.300 -0.316 0.000 1.183 335 P CA 0.363 63.124 63.100 -0.566 0.000 0.763 335 P CB 0.382 31.633 31.700 -0.748 0.000 0.807 336 V N 2.325 122.105 119.914 -0.223 0.000 2.928 336 V HA -0.010 4.110 4.120 -0.000 0.000 0.307 336 V C 1.454 177.453 176.094 -0.159 0.000 1.105 336 V CA 0.154 62.355 62.300 -0.164 0.000 1.223 336 V CB -0.029 31.666 31.823 -0.213 0.000 0.930 336 V HN 0.482 nan 8.190 nan 0.000 0.499 337 R N 1.347 121.782 120.500 -0.108 0.000 2.276 337 R HA -0.033 4.307 4.340 -0.000 0.000 0.203 337 R C 1.800 178.015 176.300 -0.142 0.000 1.017 337 R CA 1.125 57.162 56.100 -0.105 0.000 1.010 337 R CB -0.045 30.215 30.300 -0.066 0.000 0.900 337 R HN 0.873 nan 8.270 nan 0.000 0.469 338 E N 0.616 120.729 120.200 -0.145 0.000 2.204 338 E HA -0.131 4.218 4.350 -0.000 0.000 0.195 338 E C 1.820 178.318 176.600 -0.170 0.000 0.990 338 E CA 0.641 56.954 56.400 -0.146 0.000 0.821 338 E CB -0.151 29.464 29.700 -0.141 0.000 0.750 338 E HN 0.012 nan 8.360 nan 0.000 0.477 339 V N 1.016 120.815 119.914 -0.192 0.000 2.594 339 V HA -0.266 3.854 4.120 -0.000 0.000 0.253 339 V C 1.421 177.338 176.094 -0.295 0.000 1.069 339 V CA 1.827 63.990 62.300 -0.228 0.000 1.082 339 V CB -0.195 31.488 31.823 -0.234 0.000 0.680 339 V HN 0.288 nan 8.190 nan 0.000 0.469 340 E N -0.510 119.518 120.200 -0.286 0.000 2.338 340 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 340 E C 2.229 178.644 176.600 -0.307 0.000 1.007 340 E CA 0.584 56.775 56.400 -0.348 0.000 0.849 340 E CB -0.118 29.384 29.700 -0.329 0.000 0.774 340 E HN 0.591 nan 8.360 nan 0.000 0.506 341 R N 0.334 120.696 120.500 -0.229 0.000 2.189 341 R HA -0.033 4.307 4.340 -0.000 0.000 0.223 341 R C 2.063 178.256 176.300 -0.178 0.000 1.092 341 R CA 0.578 56.570 56.100 -0.179 0.000 0.989 341 R CB -0.112 30.106 30.300 -0.137 0.000 0.876 341 R HN 0.195 nan 8.270 nan 0.000 0.457 342 L N 0.395 121.483 121.223 -0.224 0.000 2.291 342 L HA -0.035 4.304 4.340 -0.000 0.000 0.214 342 L C 0.761 177.504 176.870 -0.212 0.000 1.120 342 L CA 0.478 55.185 54.840 -0.222 0.000 0.799 342 L CB -0.216 41.646 42.059 -0.328 0.000 0.925 342 L HN 0.033 nan 8.230 nan 0.000 0.446 343 R N 0.601 120.944 120.500 -0.262 0.000 2.537 343 R HA -0.015 4.324 4.340 -0.000 0.000 0.281 343 R C 0.561 176.821 176.300 -0.068 0.000 0.988 343 R CA 0.120 56.090 56.100 -0.217 0.000 1.077 343 R CB 0.177 30.169 30.300 -0.514 0.000 0.932 343 R HN -0.043 nan 8.270 nan 0.000 0.409 344 T N 1.760 116.345 114.554 0.052 0.000 2.856 344 T HA 0.009 4.359 4.350 -0.000 0.000 0.306 344 T C 1.393 176.169 174.700 0.126 0.000 1.062 344 T CA -0.493 61.653 62.100 0.077 0.000 1.083 344 T CB 0.566 69.487 68.868 0.089 0.000 0.984 344 T HN 0.529 nan 8.240 nan 0.000 0.542 345 K N 2.202 122.649 120.400 0.078 0.000 2.288 345 K HA 0.017 4.337 4.320 -0.000 0.000 0.201 345 K C 0.303 176.963 176.600 0.101 0.000 1.048 345 K CA 0.776 57.110 56.287 0.078 0.000 0.956 345 K CB 0.144 32.667 32.500 0.038 0.000 0.746 345 K HN 0.494 nan 8.250 nan 0.000 0.461 346 Q N 2.074 121.927 119.800 0.088 0.000 2.430 346 Q HA 0.250 4.589 4.340 -0.000 0.000 0.245 346 Q C -0.625 175.393 176.000 0.029 0.000 1.021 346 Q CA -0.394 55.440 55.803 0.051 0.000 0.867 346 Q CB 1.595 30.348 28.738 0.025 0.000 1.210 346 Q HN -0.049 nan 8.270 nan 0.000 0.487 347 V N 2.863 122.767 119.914 -0.017 0.000 2.775 347 V HA 0.199 4.319 4.120 -0.000 0.000 0.299 347 V C -0.119 175.833 176.094 -0.237 0.000 1.062 347 V CA -0.298 61.845 62.300 -0.262 0.000 1.063 347 V CB 1.375 32.939 31.823 -0.431 0.000 0.994 347 V HN 0.561 nan 8.190 nan 0.000 0.483 348 K N 6.094 126.306 120.400 -0.313 0.000 2.263 348 K HA 0.355 4.675 4.320 -0.000 0.000 0.272 348 K C -0.387 176.054 176.600 -0.265 0.000 1.033 348 K CA 0.032 56.191 56.287 -0.213 0.000 0.884 348 K CB 0.459 32.866 32.500 -0.155 0.000 1.107 348 K HN 0.793 nan 8.250 nan 0.000 0.460 349 N N 5.443 124.032 118.700 -0.186 0.000 2.362 349 N HA 0.410 5.150 4.740 -0.000 0.000 0.298 349 N C -1.314 174.129 175.510 -0.112 0.000 1.048 349 N CA -0.512 52.435 53.050 -0.172 0.000 0.858 349 N CB 0.800 39.202 38.487 -0.141 0.000 1.218 349 N HN 0.467 nan 8.380 nan 0.000 0.488 350 L N 3.165 124.321 121.223 -0.111 0.000 2.365 350 L HA 0.607 4.947 4.340 -0.000 0.000 0.273 350 L C -0.404 176.419 176.870 -0.077 0.000 1.000 350 L CA -0.907 53.887 54.840 -0.076 0.000 0.819 350 L CB 2.051 44.069 42.059 -0.069 0.000 1.284 350 L HN 0.578 nan 8.230 nan 0.000 0.418 351 R N 1.532 121.999 120.500 -0.055 0.000 2.651 351 R HA 0.500 4.840 4.340 -0.000 0.000 0.278 351 R C -0.847 175.431 176.300 -0.037 0.000 1.010 351 R CA -0.948 55.120 56.100 -0.052 0.000 0.896 351 R CB 1.190 31.462 30.300 -0.046 0.000 1.211 351 R HN 0.591 nan 8.270 nan 0.000 0.456 352 N N 1.278 119.955 118.700 -0.038 0.000 2.725 352 N HA -0.137 4.603 4.740 -0.000 0.000 0.251 352 N C -1.180 174.319 175.510 -0.018 0.000 1.031 352 N CA 1.073 54.107 53.050 -0.026 0.000 0.720 352 N CB -0.505 37.970 38.487 -0.020 0.000 0.930 352 N HN 0.617 nan 8.380 nan 0.000 0.543 353 K N 0.369 120.758 120.400 -0.018 0.000 2.159 353 K HA 0.502 4.822 4.320 -0.000 0.000 0.266 353 K C 0.192 176.794 176.600 0.003 0.000 0.975 353 K CA -0.680 55.605 56.287 -0.003 0.000 0.865 353 K CB 2.141 34.642 32.500 0.003 0.000 1.087 353 K HN -0.099 nan 8.250 nan 0.000 0.446 354 V N 4.553 124.471 119.914 0.007 0.000 2.350 354 V HA 0.256 4.376 4.120 -0.000 0.000 0.276 354 V C 0.229 176.332 176.094 0.014 0.000 1.028 354 V CA -0.778 61.523 62.300 0.002 0.000 0.860 354 V CB 0.762 32.583 31.823 -0.004 0.000 0.990 354 V HN 0.523 nan 8.190 nan 0.000 0.453 355 L N 6.227 127.458 121.223 0.014 0.000 2.283 355 L HA 0.355 4.695 4.340 -0.000 0.000 0.287 355 L C 0.591 177.462 176.870 0.002 0.000 1.073 355 L CA -0.305 54.548 54.840 0.023 0.000 0.822 355 L CB 0.438 42.515 42.059 0.030 0.000 1.186 355 L HN 0.605 nan 8.230 nan 0.000 0.436 356 K N 1.417 121.830 120.400 0.022 0.000 2.136 356 K HA 0.151 4.471 4.320 -0.000 0.000 0.237 356 K C 0.453 177.074 176.600 0.036 0.000 1.048 356 K CA -0.453 55.847 56.287 0.022 0.000 0.880 356 K CB 0.344 32.861 32.500 0.029 0.000 1.105 356 K HN 0.387 nan 8.250 nan 0.000 0.507 357 S N 0.204 115.928 115.700 0.039 0.000 2.481 357 S HA 0.290 4.760 4.470 -0.000 0.000 0.282 357 S C 0.871 175.510 174.600 0.064 0.000 1.243 357 S CA 0.688 58.916 58.200 0.048 0.000 1.078 357 S CB -0.873 62.357 63.200 0.051 0.000 0.916 357 S HN 0.790 nan 8.310 nan 0.000 0.495 358 G N 3.341 112.224 108.800 0.139 0.000 2.141 358 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.242 358 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.242 358 G C 0.074 175.096 174.900 0.204 0.000 0.982 358 G CA 0.211 45.395 45.100 0.141 0.000 0.662 358 G HN 1.513 nan 8.290 nan 0.000 0.527 359 S N -0.438 115.393 115.700 0.217 0.000 2.617 359 S HA 0.870 5.339 4.470 -0.000 0.000 0.283 359 S C 0.103 174.831 174.600 0.214 0.000 1.189 359 S CA 0.012 58.312 58.200 0.167 0.000 1.036 359 S CB 1.971 65.232 63.200 0.102 0.000 1.014 359 S HN 1.180 nan 8.310 nan 0.000 0.522 360 R N 0.408 121.008 120.500 0.167 0.000 2.837 360 R HA 0.839 5.179 4.340 -0.000 0.000 0.271 360 R C -1.966 174.438 176.300 0.172 0.000 0.993 360 R CA -1.173 55.025 56.100 0.164 0.000 0.931 360 R CB 1.057 31.393 30.300 0.060 0.000 1.206 360 R HN 0.533 nan 8.270 nan 0.000 0.474 361 L N 0.958 122.314 121.223 0.221 0.000 2.482 361 L HA 0.368 4.708 4.340 -0.000 0.000 0.269 361 L C -0.795 176.148 176.870 0.120 0.000 0.967 361 L CA -0.353 54.580 54.840 0.155 0.000 0.851 361 L CB 2.057 44.174 42.059 0.096 0.000 1.242 361 L HN 0.869 nan 8.230 nan 0.000 0.404 362 E N 3.008 123.190 120.200 -0.031 0.000 2.354 362 E HA 0.391 4.741 4.350 -0.000 0.000 0.269 362 E C -1.187 175.018 176.600 -0.657 0.000 1.036 362 E CA -0.545 55.560 56.400 -0.491 0.000 0.876 362 E CB 1.210 30.467 29.700 -0.739 0.000 1.009 362 E HN 0.497 nan 8.360 nan 0.000 0.416 363 V N 6.080 125.655 119.914 -0.565 0.000 2.320 363 V HA 0.159 4.279 4.120 -0.000 0.000 0.265 363 V C -0.655 175.218 176.094 -0.369 0.000 1.048 363 V CA -0.363 61.709 62.300 -0.381 0.000 0.865 363 V CB -0.458 31.236 31.823 -0.214 0.000 1.043 363 V HN 0.587 nan 8.190 nan 0.000 0.474 364 Y N 1.920 122.174 120.300 -0.076 0.000 2.298 364 Y HA 0.532 5.082 4.550 -0.000 0.000 0.329 364 Y C 1.572 177.437 175.900 -0.059 0.000 1.293 364 Y CA 0.612 58.678 58.100 -0.058 0.000 1.388 364 Y CB 0.992 39.433 38.460 -0.032 0.000 1.309 364 Y HN 0.740 nan 8.280 nan 0.000 0.544 365 G N 0.129 109.011 108.800 0.136 0.000 2.143 365 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.249 365 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.249 365 G C -0.757 174.151 174.900 0.013 0.000 0.981 365 G CA 0.156 45.289 45.100 0.054 0.000 0.665 365 G HN 0.699 nan 8.290 nan 0.000 0.528 366 V N 0.900 120.811 119.914 -0.005 0.000 2.823 366 V HA 0.811 4.931 4.120 -0.000 0.000 0.312 366 V C 0.760 176.842 176.094 -0.019 0.000 1.072 366 V CA 0.259 62.550 62.300 -0.015 0.000 0.937 366 V CB 2.033 33.837 31.823 -0.032 0.000 1.013 366 V HN 1.019 nan 8.190 nan 0.000 0.430 367 T N 3.932 118.486 114.554 -0.000 0.000 2.840 367 T HA 0.328 4.678 4.350 -0.000 0.000 0.276 367 T C 1.091 175.781 174.700 -0.016 0.000 0.912 367 T CA 0.243 62.342 62.100 -0.001 0.000 1.116 367 T CB 0.750 69.636 68.868 0.031 0.000 0.895 367 T HN 1.189 nan 8.240 nan 0.000 0.570 368 A N 3.073 125.863 122.820 -0.049 0.000 2.066 368 A HA 0.373 4.693 4.320 -0.000 0.000 0.218 368 A C 2.349 179.909 177.584 -0.040 0.000 1.157 368 A CA 0.796 52.802 52.037 -0.051 0.000 0.670 368 A CB -0.568 18.376 19.000 -0.093 0.000 0.804 368 A HN 1.074 nan 8.150 nan 0.000 0.453 369 A N -1.811 120.968 122.820 -0.069 0.000 2.345 369 A HA 0.371 4.691 4.320 -0.000 0.000 0.225 369 A C 0.786 178.121 177.584 -0.415 0.000 1.243 369 A CA 0.458 52.399 52.037 -0.160 0.000 0.875 369 A CB -0.083 18.880 19.000 -0.062 0.000 0.929 369 A HN 0.474 nan 8.150 nan 0.000 0.502 370 Q N -0.481 119.211 119.800 -0.180 0.000 3.660 370 Q HA 0.555 4.895 4.340 -0.000 0.000 0.194 370 Q C -1.133 174.942 176.000 0.124 0.000 0.872 370 Q CA -0.019 55.762 55.803 -0.037 0.000 0.756 370 Q CB 0.770 29.499 28.738 -0.015 0.000 1.443 370 Q HN 0.494 nan 8.270 nan 0.000 0.460 371 A N 1.556 124.477 122.820 0.168 0.000 2.583 371 A HA 0.778 5.098 4.320 -0.000 0.000 0.289 371 A C -1.860 175.821 177.584 0.161 0.000 1.151 371 A CA -0.608 51.507 52.037 0.130 0.000 0.695 371 A CB 2.046 21.100 19.000 0.090 0.000 1.290 371 A HN 0.442 nan 8.150 nan 0.000 0.419 372 D N -0.056 120.441 120.400 0.162 0.000 2.629 372 D HA 0.507 5.147 4.640 -0.000 0.000 0.250 372 D C -1.650 174.838 176.300 0.313 0.000 1.126 372 D CA 0.033 54.151 54.000 0.197 0.000 0.852 372 D CB 1.845 42.701 40.800 0.094 0.000 1.335 372 D HN 0.781 nan 8.370 nan 0.000 0.518 373 V N 3.179 123.242 119.914 0.249 0.000 2.577 373 V HA 0.570 4.689 4.120 -0.000 0.000 0.303 373 V C -1.309 174.921 176.094 0.226 0.000 1.042 373 V CA -0.440 61.981 62.300 0.200 0.000 0.872 373 V CB 1.752 33.643 31.823 0.113 0.000 0.998 373 V HN 0.533 nan 8.190 nan 0.000 0.423 374 E N 4.214 124.549 120.200 0.225 0.000 2.210 374 E HA 0.691 5.041 4.350 -0.000 0.000 0.266 374 E C -1.622 175.033 176.600 0.091 0.000 0.883 374 E CA -0.575 55.963 56.400 0.230 0.000 0.761 374 E CB 2.692 32.605 29.700 0.355 0.000 1.156 374 E HN 0.602 nan 8.360 nan 0.000 0.412 375 V N 4.832 124.787 119.914 0.068 0.000 2.808 375 V HA 0.458 4.578 4.120 -0.000 0.000 0.308 375 V C -1.686 174.328 176.094 -0.133 0.000 1.099 375 V CA -0.601 61.630 62.300 -0.114 0.000 0.920 375 V CB 1.552 33.224 31.823 -0.251 0.000 1.014 375 V HN 0.584 nan 8.190 nan 0.000 0.425 376 L N 6.706 127.799 121.223 -0.218 0.000 2.287 376 L HA 0.599 4.939 4.340 -0.000 0.000 0.287 376 L C -1.109 175.598 176.870 -0.271 0.000 1.022 376 L CA -0.271 54.491 54.840 -0.130 0.000 0.814 376 L CB 1.536 43.567 42.059 -0.047 0.000 1.217 376 L HN 0.538 nan 8.230 nan 0.000 0.420 377 F N 2.476 122.483 119.950 0.093 0.000 2.422 377 F HA 0.489 5.016 4.527 -0.000 0.000 0.333 377 F C 0.276 176.044 175.800 -0.053 0.000 1.095 377 F CA -0.652 57.361 58.000 0.021 0.000 1.038 377 F CB 1.619 40.694 39.000 0.126 0.000 1.156 377 F HN 0.279 nan 8.300 nan 0.000 0.483 378 K N 2.891 123.332 120.400 0.067 0.000 2.376 378 K HA 0.646 4.966 4.320 -0.000 0.000 0.257 378 K C -1.414 175.117 176.600 -0.115 0.000 0.939 378 K CA -0.795 55.478 56.287 -0.023 0.000 0.809 378 K CB 1.543 34.028 32.500 -0.026 0.000 1.121 378 K HN 0.555 nan 8.250 nan 0.000 0.425 379 V N 2.535 122.359 119.914 -0.151 0.000 2.509 379 V HA 0.442 4.562 4.120 -0.000 0.000 0.284 379 V C 0.723 176.729 176.094 -0.147 0.000 1.047 379 V CA -0.477 61.701 62.300 -0.203 0.000 0.952 379 V CB 1.566 33.257 31.823 -0.221 0.000 0.988 379 V HN 0.844 nan 8.190 nan 0.000 0.469 380 R N 1.467 121.890 120.500 -0.128 0.000 2.105 380 R HA 0.198 4.538 4.340 -0.000 0.000 0.214 380 R C -0.244 176.007 176.300 -0.082 0.000 1.091 380 R CA 0.634 56.682 56.100 -0.087 0.000 1.007 380 R CB 0.157 30.417 30.300 -0.067 0.000 0.912 380 R HN 0.802 nan 8.270 nan 0.000 0.450 381 D N 1.377 121.723 120.400 -0.090 0.000 2.460 381 D HA 0.166 4.805 4.640 -0.000 0.000 0.268 381 D C 1.039 177.279 176.300 -0.100 0.000 1.153 381 D CA -0.105 53.853 54.000 -0.070 0.000 0.929 381 D CB 1.232 42.009 40.800 -0.039 0.000 1.015 381 D HN -0.052 nan 8.370 nan 0.000 0.502 382 L N 0.948 122.069 121.223 -0.169 0.000 2.141 382 L HA -0.209 4.130 4.340 -0.000 0.000 0.209 382 L C 1.892 178.719 176.870 -0.071 0.000 1.094 382 L CA 1.250 55.909 54.840 -0.302 0.000 0.763 382 L CB 0.066 41.730 42.059 -0.659 0.000 0.908 382 L HN 0.167 nan 8.230 nan 0.000 0.437 383 E N -0.585 119.634 120.200 0.032 0.000 2.268 383 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 383 E C 1.693 178.346 176.600 0.088 0.000 0.995 383 E CA 0.694 57.166 56.400 0.120 0.000 0.836 383 E CB -0.284 29.470 29.700 0.090 0.000 0.763 383 E HN 0.163 nan 8.360 nan 0.000 0.491 384 K N 0.722 121.147 120.400 0.043 0.000 2.504 384 K HA 0.194 4.513 4.320 -0.000 0.000 0.195 384 K C 0.581 177.215 176.600 0.057 0.000 1.036 384 K CA 0.601 56.909 56.287 0.036 0.000 0.984 384 K CB -0.191 32.317 32.500 0.014 0.000 0.788 384 K HN 0.233 nan 8.250 nan 0.000 0.488 385 A N 2.168 125.036 122.820 0.080 0.000 2.462 385 A HA 0.033 4.353 4.320 -0.000 0.000 0.243 385 A C -0.036 177.628 177.584 0.135 0.000 1.076 385 A CA -0.139 51.958 52.037 0.099 0.000 0.773 385 A CB 0.229 19.308 19.000 0.132 0.000 1.010 385 A HN 0.129 nan 8.150 nan 0.000 0.493 386 D N 0.714 121.194 120.400 0.134 0.000 2.339 386 D HA 0.274 4.913 4.640 -0.000 0.000 0.245 386 D C -0.183 176.256 176.300 0.231 0.000 1.115 386 D CA 0.012 54.115 54.000 0.172 0.000 0.917 386 D CB 1.219 42.147 40.800 0.214 0.000 1.192 386 D HN 0.186 nan 8.370 nan 0.000 0.428 387 V N 2.668 122.664 119.914 0.137 0.000 2.455 387 V HA 0.099 4.219 4.120 -0.000 0.000 0.273 387 V C 0.818 176.930 176.094 0.030 0.000 1.045 387 V CA -0.477 61.871 62.300 0.079 0.000 0.976 387 V CB 0.983 32.806 31.823 -0.000 0.000 0.993 387 V HN 0.408 nan 8.190 nan 0.000 0.475 388 I N 4.063 124.637 120.570 0.006 0.000 2.692 388 I HA 0.158 4.328 4.170 -0.000 0.000 0.284 388 I C 0.796 176.712 176.117 -0.336 0.000 1.159 388 I CA -0.277 60.876 61.300 -0.246 0.000 1.423 388 I CB 0.574 38.388 38.000 -0.310 0.000 1.380 388 I HN 0.592 nan 8.210 nan 0.000 0.580 389 E N 8.485 128.304 120.200 -0.636 0.000 2.366 389 E HA 0.062 4.412 4.350 -0.000 0.000 0.266 389 E C -1.744 174.666 176.600 -0.317 0.000 1.015 389 E CA -1.451 54.579 56.400 -0.615 0.000 0.906 389 E CB 0.766 29.745 29.700 -1.200 0.000 0.979 389 E HN 0.455 nan 8.360 nan 0.000 0.443 390 P HA -0.191 nan 4.420 nan 0.000 0.216 390 P C 1.404 178.691 177.300 -0.022 0.000 1.150 390 P CA 1.492 64.536 63.100 -0.093 0.000 0.843 390 P CB 0.201 31.855 31.700 -0.077 0.000 0.787 391 S N -2.772 112.927 115.700 -0.001 0.000 2.423 391 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 391 S C 0.730 175.479 174.600 0.247 0.000 1.014 391 S CA 0.330 58.593 58.200 0.104 0.000 0.965 391 S CB -1.325 61.945 63.200 0.118 0.000 0.785 391 S HN 0.070 nan 8.310 nan 0.000 0.495 392 W N 4.242 125.529 121.300 -0.021 0.000 1.872 392 W HA 0.325 4.984 4.660 -0.000 0.000 0.503 392 W C 1.452 178.005 176.519 0.057 0.000 0.794 392 W CA -0.158 57.185 57.345 -0.004 0.000 1.972 392 W CB -1.424 27.999 29.460 -0.060 0.000 1.730 392 W HN 0.535 nan 8.180 nan 0.000 0.253 393 T N -3.519 111.187 114.554 0.254 0.000 3.022 393 T HA -0.004 4.345 4.350 -0.000 0.000 0.250 393 T C 0.196 175.070 174.700 0.290 0.000 1.060 393 T CA -0.052 62.197 62.100 0.248 0.000 1.013 393 T CB 0.305 69.260 68.868 0.144 0.000 0.982 393 T HN 0.001 nan 8.240 nan 0.000 0.508 394 D N 3.010 123.500 120.400 0.149 0.000 2.412 394 D HA 0.289 4.929 4.640 -0.000 0.000 0.224 394 D C -1.477 174.747 176.300 -0.127 0.000 1.093 394 D CA -2.507 51.510 54.000 0.029 0.000 0.850 394 D CB 2.153 42.953 40.800 0.000 0.000 1.046 394 D HN 0.030 nan 8.370 nan 0.000 0.507 395 P HA -0.169 nan 4.420 nan 0.000 0.219 395 P C 1.330 178.413 177.300 -0.360 0.000 1.150 395 P CA 0.886 63.588 63.100 -0.662 0.000 0.814 395 P CB 0.472 31.414 31.700 -1.263 0.000 0.787 396 Q N 0.151 119.808 119.800 -0.238 0.000 2.084 396 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 396 Q C 2.300 178.214 176.000 -0.143 0.000 0.978 396 Q CA 1.435 57.154 55.803 -0.140 0.000 0.844 396 Q CB -0.636 28.073 28.738 -0.047 0.000 0.898 396 Q HN 0.186 nan 8.270 nan 0.000 0.426 397 L N 0.186 121.316 121.223 -0.155 0.000 2.141 397 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 397 L C 2.371 179.076 176.870 -0.276 0.000 1.094 397 L CA 0.746 55.478 54.840 -0.180 0.000 0.763 397 L CB -0.386 41.573 42.059 -0.167 0.000 0.908 397 L HN 0.336 nan 8.230 nan 0.000 0.437 398 I N -0.657 119.710 120.570 -0.340 0.000 2.179 398 I HA -0.321 3.848 4.170 -0.000 0.000 0.242 398 I C 2.653 178.643 176.117 -0.212 0.000 1.088 398 I CA 1.180 62.223 61.300 -0.428 0.000 1.357 398 I CB -0.489 37.308 38.000 -0.339 0.000 1.051 398 I HN 0.355 nan 8.210 nan 0.000 0.409 399 c N 0.303 118.817 118.600 -0.143 0.000 2.413 399 c HA -0.138 4.432 4.570 -0.000 0.000 0.277 399 c C 3.176 177.236 174.090 -0.051 0.000 1.265 399 c CA 1.223 57.512 56.329 -0.065 0.000 1.752 399 c CB -1.086 41.345 42.510 -0.132 0.000 1.998 399 c HN 0.511 nan 8.230 nan 0.000 0.489 400 S N 0.732 116.372 115.700 -0.101 0.000 2.355 400 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 400 S C 1.829 176.386 174.600 -0.073 0.000 1.031 400 S CA 1.388 59.536 58.200 -0.087 0.000 0.993 400 S CB -0.182 62.959 63.200 -0.098 0.000 0.859 400 S HN 0.658 nan 8.310 nan 0.000 0.453 401 K N 0.344 120.676 120.400 -0.112 0.000 2.186 401 K HA 0.234 4.553 4.320 -0.000 0.000 0.202 401 K C 0.383 176.961 176.600 -0.036 0.000 1.052 401 K CA 0.570 56.803 56.287 -0.091 0.000 0.965 401 K CB 0.078 32.485 32.500 -0.155 0.000 0.746 401 K HN 0.289 nan 8.250 nan 0.000 0.457 402 M N 2.908 122.492 119.600 -0.026 0.000 2.495 402 M HA 0.135 4.615 4.480 -0.000 0.000 0.346 402 M C -0.753 175.610 176.300 0.105 0.000 1.251 402 M CA -0.764 54.578 55.300 0.069 0.000 1.249 402 M CB 0.381 33.063 32.600 0.138 0.000 1.229 402 M HN 0.102 nan 8.290 nan 0.000 0.450 403 N N 0.830 119.574 118.700 0.074 0.000 2.347 403 N HA 0.176 4.916 4.740 -0.000 0.000 0.253 403 N C 1.027 176.565 175.510 0.047 0.000 1.274 403 N CA -0.783 52.316 53.050 0.082 0.000 0.941 403 N CB 0.474 38.989 38.487 0.046 0.000 1.200 403 N HN 0.319 nan 8.380 nan 0.000 0.514 404 V N -2.901 117.022 119.914 0.015 0.000 2.688 404 V HA -0.214 3.906 4.120 -0.000 0.000 0.256 404 V C 1.773 177.906 176.094 0.065 0.000 1.084 404 V CA 1.978 64.242 62.300 -0.059 0.000 1.103 404 V CB -1.540 30.250 31.823 -0.056 0.000 0.688 404 V HN 0.807 nan 8.190 nan 0.000 0.480 405 S N -0.413 115.304 115.700 0.029 0.000 2.522 405 S HA 0.145 4.615 4.470 -0.000 0.000 0.227 405 S C 0.765 175.349 174.600 -0.025 0.000 0.986 405 S CA 0.398 58.583 58.200 -0.025 0.000 0.929 405 S CB -0.537 62.642 63.200 -0.035 0.000 0.769 405 S HN 0.441 nan 8.310 nan 0.000 0.529 406 V N 3.311 123.230 119.914 0.008 0.000 2.389 406 V HA 0.252 4.371 4.120 -0.000 0.000 0.264 406 V C 0.142 176.237 176.094 0.002 0.000 1.049 406 V CA -0.541 61.775 62.300 0.025 0.000 0.932 406 V CB 0.502 32.372 31.823 0.077 0.000 1.011 406 V HN 0.364 nan 8.190 nan 0.000 0.475 407 K N 3.730 124.088 120.400 -0.069 0.000 2.298 407 K HA 0.493 4.813 4.320 -0.000 0.000 0.280 407 K C 0.313 176.881 176.600 -0.053 0.000 1.032 407 K CA -0.138 56.023 56.287 -0.211 0.000 0.958 407 K CB 0.994 33.094 32.500 -0.667 0.000 0.978 407 K HN 0.812 nan 8.250 nan 0.000 0.472 408 S N 0.172 115.862 115.700 -0.015 0.000 2.709 408 S HA 0.428 4.898 4.470 -0.000 0.000 0.302 408 S C 1.203 175.912 174.600 0.182 0.000 1.127 408 S CA -0.680 57.600 58.200 0.135 0.000 0.905 408 S CB 1.395 64.641 63.200 0.077 0.000 1.151 408 S HN 0.647 nan 8.310 nan 0.000 0.510 409 G N -0.013 108.916 108.800 0.215 0.000 2.491 409 G HA2 0.030 3.989 3.960 -0.000 0.000 0.218 409 G HA3 0.030 3.989 3.960 -0.000 0.000 0.218 409 G C 0.095 175.059 174.900 0.108 0.000 1.180 409 G CA 0.757 45.976 45.100 0.198 0.000 0.774 409 G HN 0.488 nan 8.290 nan 0.000 0.562 410 L N 0.984 122.228 121.223 0.036 0.000 2.316 410 L HA 0.635 4.975 4.340 -0.000 0.000 0.280 410 L C 0.572 177.497 176.870 0.091 0.000 1.006 410 L CA 0.537 55.420 54.840 0.073 0.000 0.836 410 L CB 0.112 42.203 42.059 0.053 0.000 1.221 410 L HN 0.631 nan 8.230 nan 0.000 0.418 411 G N 5.372 114.296 108.800 0.207 0.000 2.629 411 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.686 411 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.686 411 G C -3.184 171.690 174.900 -0.044 0.000 1.232 411 G CA -1.123 44.000 45.100 0.039 0.000 0.803 411 G HN 0.330 nan 8.290 nan 0.000 0.638 412 P HA 0.582 nan 4.420 nan 0.000 0.282 412 P C -0.571 176.429 177.300 -0.499 0.000 1.262 412 P CA -0.152 62.732 63.100 -0.360 0.000 0.773 412 P CB 0.270 31.545 31.700 -0.709 0.000 0.879 413 F N 0.940 120.503 119.950 -0.645 0.000 2.569 413 F HA 0.906 5.432 4.527 -0.000 0.000 0.312 413 F C 0.100 175.281 175.800 -1.031 0.000 1.109 413 F CA -0.693 56.659 58.000 -1.080 0.000 0.919 413 F CB 1.670 40.191 39.000 -0.799 0.000 1.211 413 F HN 0.651 nan 8.300 nan 0.000 0.446 414 G N 2.306 110.499 108.800 -1.011 0.000 2.512 414 G HA2 0.349 4.309 3.960 -0.000 0.000 0.181 414 G HA3 0.349 4.309 3.960 -0.000 0.000 0.181 414 G C -2.176 172.854 174.900 0.217 0.000 1.173 414 G CA -0.909 44.027 45.100 -0.274 0.000 0.988 414 G HN 0.790 nan 8.290 nan 0.000 0.485 415 L N 0.368 121.818 121.223 0.378 0.000 2.334 415 L HA 0.760 5.100 4.340 -0.000 0.000 0.272 415 L C -0.156 176.952 176.870 0.395 0.000 1.020 415 L CA -0.676 54.404 54.840 0.401 0.000 0.812 415 L CB 2.030 44.245 42.059 0.260 0.000 1.264 415 L HN 0.411 nan 8.230 nan 0.000 0.439 416 M N 3.367 123.137 119.600 0.283 0.000 2.085 416 M HA 0.402 4.882 4.480 -0.000 0.000 0.309 416 M C -0.704 175.730 176.300 0.223 0.000 0.947 416 M CA -0.682 54.705 55.300 0.144 0.000 0.918 416 M CB 1.813 34.361 32.600 -0.087 0.000 1.504 416 M HN 0.412 nan 8.290 nan 0.000 0.420 417 V N 1.912 121.933 119.914 0.179 0.000 2.994 417 V HA 0.608 4.728 4.120 -0.000 0.000 0.318 417 V C 0.545 176.727 176.094 0.147 0.000 1.085 417 V CA -0.977 61.412 62.300 0.148 0.000 0.998 417 V CB 1.703 33.589 31.823 0.106 0.000 1.063 417 V HN 0.936 nan 8.190 nan 0.000 0.447 418 L N 0.274 121.567 121.223 0.117 0.000 3.739 418 L HA -0.177 4.163 4.340 -0.000 0.000 0.442 418 L C 0.605 177.580 176.870 0.175 0.000 1.241 418 L CA 0.807 55.715 54.840 0.114 0.000 0.819 418 L CB -1.536 40.565 42.059 0.070 0.000 1.679 418 L HN 1.148 nan 8.230 nan 0.000 0.889 419 A N -0.083 122.888 122.820 0.252 0.000 2.312 419 A HA 0.758 5.078 4.320 -0.000 0.000 0.326 419 A C 0.631 178.445 177.584 0.383 0.000 1.172 419 A CA 0.204 52.449 52.037 0.347 0.000 0.821 419 A CB 1.014 20.302 19.000 0.479 0.000 1.166 419 A HN 0.405 nan 8.150 nan 0.000 0.493 420 S N 1.420 117.310 115.700 0.317 0.000 2.645 420 S HA 0.255 4.725 4.470 -0.000 0.000 0.266 420 S C 1.132 175.872 174.600 0.233 0.000 1.258 420 S CA -0.291 58.090 58.200 0.302 0.000 0.990 420 S CB 1.047 64.361 63.200 0.189 0.000 0.967 420 S HN 0.787 nan 8.310 nan 0.000 0.556 421 K N 0.765 121.225 120.400 0.100 0.000 2.063 421 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 421 K C 0.496 177.067 176.600 -0.049 0.000 1.048 421 K CA 1.514 57.664 56.287 -0.229 0.000 0.928 421 K CB -0.324 32.123 32.500 -0.088 0.000 0.713 421 K HN 0.610 nan 8.250 nan 0.000 0.442 422 N N 0.536 119.243 118.700 0.011 0.000 2.230 422 N HA 0.076 4.816 4.740 -0.000 0.000 0.202 422 N C -0.084 175.424 175.510 -0.003 0.000 1.119 422 N CA 0.165 53.213 53.050 -0.003 0.000 0.851 422 N CB 0.445 38.940 38.487 0.013 0.000 0.990 422 N HN 0.166 nan 8.380 nan 0.000 0.497 423 L N 0.265 121.510 121.223 0.037 0.000 3.717 423 L HA -0.252 4.088 4.340 -0.000 0.000 0.411 423 L C 0.746 177.734 176.870 0.198 0.000 1.233 423 L CA 0.232 55.147 54.840 0.124 0.000 0.917 423 L CB -1.545 40.464 42.059 -0.083 0.000 1.902 423 L HN 0.047 nan 8.230 nan 0.000 0.894 424 E N 0.058 120.324 120.200 0.111 0.000 2.150 424 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 424 E C 0.441 177.042 176.600 0.001 0.000 0.985 424 E CA 1.247 57.679 56.400 0.054 0.000 0.814 424 E CB 0.129 29.854 29.700 0.042 0.000 0.752 424 E HN 0.621 nan 8.360 nan 0.000 0.466 425 E N -0.739 119.488 120.200 0.045 0.000 2.266 425 E HA 0.483 4.833 4.350 -0.000 0.000 0.268 425 E C -1.271 175.378 176.600 0.081 0.000 0.879 425 E CA -0.965 55.410 56.400 -0.042 0.000 0.762 425 E CB 1.944 31.657 29.700 0.021 0.000 1.199 425 E HN 0.029 nan 8.360 nan 0.000 0.422 426 Y N -2.433 117.868 120.300 0.001 0.000 2.620 426 Y HA 0.425 4.975 4.550 -0.000 0.000 0.331 426 Y C -1.217 174.671 175.900 -0.020 0.000 1.173 426 Y CA -1.126 56.975 58.100 0.001 0.000 1.076 426 Y CB 0.994 39.428 38.460 -0.043 0.000 1.336 426 Y HN 0.206 nan 8.280 nan 0.000 0.459 427 T N 2.511 117.180 114.554 0.193 0.000 2.772 427 T HA 0.519 4.868 4.350 -0.000 0.000 0.288 427 T C -0.741 174.060 174.700 0.169 0.000 0.994 427 T CA -0.726 61.443 62.100 0.115 0.000 0.951 427 T CB 0.862 69.758 68.868 0.047 0.000 0.933 427 T HN 0.641 nan 8.240 nan 0.000 0.447 428 S N 2.731 118.544 115.700 0.188 0.000 2.452 428 S HA 0.461 4.931 4.470 -0.000 0.000 0.284 428 S C 0.007 174.744 174.600 0.229 0.000 1.171 428 S CA -0.745 57.578 58.200 0.205 0.000 1.064 428 S CB 0.800 64.127 63.200 0.212 0.000 0.967 428 S HN 0.499 nan 8.310 nan 0.000 0.484 429 V N 5.644 125.685 119.914 0.212 0.000 2.350 429 V HA 0.588 4.707 4.120 -0.000 0.000 0.285 429 V C -0.761 175.341 176.094 0.014 0.000 1.014 429 V CA -0.667 61.649 62.300 0.025 0.000 0.831 429 V CB -0.067 31.750 31.823 -0.010 0.000 1.000 429 V HN 0.898 nan 8.190 nan 0.000 0.433 430 Y N 2.979 123.112 120.300 -0.279 0.000 2.670 430 Y HA 0.859 5.409 4.550 -0.000 0.000 0.334 430 Y C -1.726 173.746 175.900 -0.713 0.000 1.185 430 Y CA -1.951 55.851 58.100 -0.496 0.000 1.053 430 Y CB 1.232 39.552 38.460 -0.233 0.000 1.298 430 Y HN 0.312 nan 8.280 nan 0.000 0.459 431 F N 1.128 120.813 119.950 -0.441 0.000 2.483 431 F HA 0.801 5.328 4.527 -0.000 0.000 0.329 431 F C 0.064 175.587 175.800 -0.462 0.000 1.064 431 F CA -1.000 56.671 58.000 -0.549 0.000 0.986 431 F CB 2.013 40.515 39.000 -0.831 0.000 1.218 431 F HN 0.389 nan 8.300 nan 0.000 0.484 432 R N 1.818 122.306 120.500 -0.020 0.000 2.686 432 R HA 0.642 4.982 4.340 -0.000 0.000 0.283 432 R C -1.639 174.576 176.300 -0.143 0.000 0.978 432 R CA -0.903 55.120 56.100 -0.127 0.000 0.897 432 R CB 2.378 32.636 30.300 -0.070 0.000 1.192 432 R HN 0.371 nan 8.270 nan 0.000 0.457 433 I N 3.596 124.018 120.570 -0.246 0.000 2.382 433 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 433 I C -0.589 175.383 176.117 -0.240 0.000 1.002 433 I CA -0.567 60.665 61.300 -0.113 0.000 1.135 433 I CB 0.798 38.782 38.000 -0.026 0.000 1.288 433 I HN 0.463 nan 8.210 nan 0.000 0.448 434 F N 4.052 124.123 119.950 0.203 0.000 2.523 434 F HA 0.482 5.009 4.527 -0.000 0.000 0.329 434 F C 0.771 176.713 175.800 0.237 0.000 1.061 434 F CA -0.910 57.207 58.000 0.196 0.000 0.967 434 F CB 1.468 40.569 39.000 0.168 0.000 1.218 434 F HN 0.256 nan 8.300 nan 0.000 0.480 435 K N 0.873 121.488 120.400 0.359 0.000 2.234 435 K HA 0.495 4.815 4.320 -0.000 0.000 0.282 435 K C 0.648 177.258 176.600 0.017 0.000 1.039 435 K CA -0.114 56.233 56.287 0.100 0.000 0.928 435 K CB 1.376 33.901 32.500 0.041 0.000 1.039 435 K HN 0.814 nan 8.250 nan 0.000 0.470 436 A N 4.702 127.457 122.820 -0.108 0.000 1.933 436 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 436 A C 0.842 178.369 177.584 -0.095 0.000 1.175 436 A CA 1.242 53.224 52.037 -0.091 0.000 0.628 436 A CB 0.059 18.988 19.000 -0.118 0.000 0.814 436 A HN 0.674 nan 8.150 nan 0.000 0.444 437 R N -0.796 119.639 120.500 -0.109 0.000 2.629 437 R HA 0.191 4.531 4.340 -0.000 0.000 0.266 437 R C -1.344 174.908 176.300 -0.081 0.000 1.051 437 R CA -0.541 55.506 56.100 -0.088 0.000 0.895 437 R CB 0.770 31.019 30.300 -0.085 0.000 1.246 437 R HN 0.464 nan 8.270 nan 0.000 0.459 438 Q N 1.891 121.655 119.800 -0.060 0.000 2.283 438 Q HA -0.080 4.260 4.340 -0.000 0.000 0.301 438 Q C -0.400 175.572 176.000 -0.046 0.000 1.063 438 Q CA 1.260 57.037 55.803 -0.044 0.000 0.952 438 Q CB 0.003 28.719 28.738 -0.036 0.000 1.166 438 Q HN 0.689 nan 8.270 nan 0.000 0.381 439 N N 1.207 119.885 118.700 -0.037 0.000 2.727 439 N HA -0.228 4.511 4.740 -0.000 0.000 0.249 439 N C -1.240 174.238 175.510 -0.054 0.000 1.048 439 N CA 0.554 53.585 53.050 -0.031 0.000 0.714 439 N CB -0.501 37.974 38.487 -0.019 0.000 0.959 439 N HN 0.389 nan 8.380 nan 0.000 0.544 440 S N -0.667 114.971 115.700 -0.104 0.000 2.681 440 S HA 0.476 4.946 4.470 -0.000 0.000 0.299 440 S C 0.669 175.134 174.600 -0.226 0.000 1.113 440 S CA -0.662 57.450 58.200 -0.146 0.000 1.013 440 S CB 1.556 64.650 63.200 -0.175 0.000 1.076 440 S HN 0.328 nan 8.310 nan 0.000 0.534 441 N N 1.031 119.628 118.700 -0.172 0.000 2.236 441 N HA 0.211 4.951 4.740 -0.000 0.000 0.196 441 N C -0.818 174.589 175.510 -0.172 0.000 1.114 441 N CA 0.103 53.091 53.050 -0.104 0.000 0.859 441 N CB 0.137 38.668 38.487 0.073 0.000 0.982 441 N HN 0.466 nan 8.380 nan 0.000 0.493 442 K N 0.286 120.505 120.400 -0.302 0.000 2.201 442 K HA 0.270 4.590 4.320 -0.000 0.000 0.278 442 K C -1.040 175.309 176.600 -0.419 0.000 1.027 442 K CA -0.345 55.825 56.287 -0.195 0.000 0.909 442 K CB 1.094 33.531 32.500 -0.106 0.000 1.062 442 K HN 0.018 nan 8.250 nan 0.000 0.465 443 Y N -0.071 120.258 120.300 0.049 0.000 2.598 443 Y HA 0.488 5.038 4.550 -0.000 0.000 0.340 443 Y C -0.236 175.696 175.900 0.053 0.000 1.038 443 Y CA -1.213 56.919 58.100 0.052 0.000 1.100 443 Y CB 1.716 40.194 38.460 0.029 0.000 1.281 443 Y HN 0.121 nan 8.280 nan 0.000 0.488 444 V N 2.387 122.464 119.914 0.272 0.000 2.487 444 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 444 V C -0.968 175.318 176.094 0.320 0.000 1.028 444 V CA -0.917 61.506 62.300 0.205 0.000 0.860 444 V CB 1.643 33.529 31.823 0.105 0.000 0.991 444 V HN 0.504 nan 8.190 nan 0.000 0.427 445 V N 6.146 126.219 119.914 0.266 0.000 2.311 445 V HA 0.401 4.520 4.120 -0.000 0.000 0.275 445 V C -0.246 176.067 176.094 0.364 0.000 1.022 445 V CA -0.464 61.980 62.300 0.241 0.000 0.830 445 V CB 1.362 33.233 31.823 0.081 0.000 1.012 445 V HN 0.668 nan 8.190 nan 0.000 0.452 446 L N 6.035 127.503 121.223 0.409 0.000 2.292 446 L HA 0.640 4.979 4.340 -0.000 0.000 0.284 446 L C -0.249 176.720 176.870 0.165 0.000 1.065 446 L CA 0.046 55.073 54.840 0.312 0.000 0.806 446 L CB 1.286 43.582 42.059 0.394 0.000 1.175 446 L HN 0.769 nan 8.230 nan 0.000 0.431 447 M N 5.729 125.328 119.600 -0.002 0.000 2.181 447 M HA 0.459 4.939 4.480 -0.000 0.000 0.323 447 M C -1.589 174.496 176.300 -0.360 0.000 1.004 447 M CA -0.258 54.935 55.300 -0.178 0.000 0.941 447 M CB 0.907 33.460 32.600 -0.078 0.000 1.579 447 M HN 0.684 nan 8.290 nan 0.000 0.427 448 c N 2.119 120.339 118.600 -0.633 0.000 2.391 448 c HA 0.693 5.263 4.570 -0.000 0.000 0.339 448 c C 0.216 174.008 174.090 -0.496 0.000 1.205 448 c CA -0.644 55.304 56.329 -0.634 0.000 1.937 448 c CB 1.527 43.428 42.510 -1.015 0.000 2.341 448 c HN 0.843 nan 8.230 nan 0.000 0.516 449 S N 1.721 117.273 115.700 -0.247 0.000 2.667 449 S HA 0.288 4.758 4.470 -0.000 0.000 0.304 449 S C -1.102 173.430 174.600 -0.113 0.000 1.135 449 S CA -0.236 57.892 58.200 -0.121 0.000 1.125 449 S CB -0.018 63.183 63.200 0.002 0.000 0.996 449 S HN 0.830 nan 8.310 nan 0.000 0.474 450 D N 3.232 123.598 120.400 -0.056 0.000 2.280 450 D HA 0.274 4.914 4.640 -0.000 0.000 0.236 450 D C 0.167 176.433 176.300 -0.057 0.000 1.082 450 D CA -0.330 53.645 54.000 -0.041 0.000 0.834 450 D CB 1.255 42.126 40.800 0.119 0.000 1.100 450 D HN 0.615 nan 8.370 nan 0.000 0.486 451 Q N 1.962 121.678 119.800 -0.140 0.000 2.135 451 Q HA 0.075 4.415 4.340 -0.000 0.000 0.231 451 Q C 0.948 176.857 176.000 -0.151 0.000 0.817 451 Q CA -0.201 55.520 55.803 -0.137 0.000 1.073 451 Q CB -0.033 28.617 28.738 -0.146 0.000 1.176 451 Q HN 0.369 nan 8.270 nan 0.000 0.478 452 S N 1.055 116.669 115.700 -0.143 0.000 2.419 452 S HA -0.043 4.427 4.470 -0.000 0.000 0.233 452 S C 1.472 175.968 174.600 -0.173 0.000 1.016 452 S CA 0.560 58.678 58.200 -0.137 0.000 0.974 452 S CB -0.147 62.991 63.200 -0.103 0.000 0.786 452 S HN 0.349 nan 8.310 nan 0.000 0.492 453 R N 1.051 121.391 120.500 -0.266 0.000 2.700 453 R HA 0.279 4.618 4.340 -0.000 0.000 0.377 453 R C 1.335 177.399 176.300 -0.394 0.000 1.130 453 R CA 0.539 56.405 56.100 -0.391 0.000 1.055 453 R CB 0.400 30.310 30.300 -0.650 0.000 1.387 453 R HN 0.630 nan 8.270 nan 0.000 0.580 454 S N -1.080 114.483 115.700 -0.229 0.000 2.436 454 S HA 0.023 4.493 4.470 -0.000 0.000 0.228 454 S C 0.924 175.473 174.600 -0.085 0.000 1.014 454 S CA 0.200 58.314 58.200 -0.144 0.000 0.950 454 S CB 0.365 63.502 63.200 -0.104 0.000 0.784 454 S HN 0.083 nan 8.310 nan 0.000 0.504 455 S N -0.882 114.771 115.700 -0.078 0.000 2.540 455 S HA 0.589 5.059 4.470 -0.000 0.000 0.275 455 S C 0.246 174.824 174.600 -0.037 0.000 1.123 455 S CA -0.838 57.345 58.200 -0.027 0.000 0.907 455 S CB 1.206 64.408 63.200 0.003 0.000 1.081 455 S HN 0.317 nan 8.310 nan 0.000 0.476 456 L N 2.158 123.375 121.223 -0.011 0.000 2.291 456 L HA 0.167 4.507 4.340 -0.000 0.000 0.214 456 L C 1.284 178.148 176.870 -0.010 0.000 1.120 456 L CA 0.761 55.593 54.840 -0.013 0.000 0.799 456 L CB -0.188 41.874 42.059 0.006 0.000 0.925 456 L HN 0.548 nan 8.230 nan 0.000 0.446 457 K N 0.859 121.259 120.400 -0.001 0.000 2.349 457 K HA 0.012 4.331 4.320 -0.000 0.000 0.288 457 K C 0.530 177.112 176.600 -0.030 0.000 1.058 457 K CA -0.046 56.235 56.287 -0.011 0.000 0.953 457 K CB 0.895 33.393 32.500 -0.004 0.000 0.997 457 K HN -0.005 nan 8.250 nan 0.000 0.477 458 E N 2.345 122.524 120.200 -0.035 0.000 2.478 458 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 458 E C 0.229 176.800 176.600 -0.049 0.000 1.045 458 E CA 0.523 56.898 56.400 -0.042 0.000 0.868 458 E CB 0.267 29.945 29.700 -0.037 0.000 0.885 458 E HN 0.634 nan 8.360 nan 0.000 0.505 459 D N 0.585 120.952 120.400 -0.055 0.000 2.219 459 D HA -0.067 4.572 4.640 -0.000 0.000 0.205 459 D C 0.134 176.382 176.300 -0.087 0.000 0.970 459 D CA 0.559 54.517 54.000 -0.070 0.000 0.851 459 D CB -0.038 40.714 40.800 -0.080 0.000 0.943 459 D HN 0.081 nan 8.370 nan 0.000 0.488 460 N N 1.761 120.408 118.700 -0.087 0.000 2.454 460 N HA -0.039 4.701 4.740 -0.000 0.000 0.254 460 N C -0.278 175.202 175.510 -0.050 0.000 1.228 460 N CA 0.205 53.207 53.050 -0.080 0.000 0.900 460 N CB 0.497 38.975 38.487 -0.015 0.000 1.089 460 N HN 0.067 nan 8.380 nan 0.000 0.449 461 D N 1.316 121.694 120.400 -0.037 0.000 2.346 461 D HA 0.017 4.657 4.640 -0.000 0.000 0.260 461 D C -0.138 176.140 176.300 -0.036 0.000 1.252 461 D CA 0.364 54.346 54.000 -0.030 0.000 0.895 461 D CB 0.351 41.145 40.800 -0.010 0.000 1.097 461 D HN 0.288 nan 8.370 nan 0.000 0.489 462 K N 2.592 122.948 120.400 -0.074 0.000 2.699 462 K HA 0.125 4.445 4.320 -0.000 0.000 0.210 462 K C -0.041 176.451 176.600 -0.180 0.000 1.076 462 K CA -0.367 55.852 56.287 -0.114 0.000 1.109 462 K CB 0.540 32.980 32.500 -0.099 0.000 0.862 462 K HN 0.362 nan 8.250 nan 0.000 0.470 463 T N 1.867 116.299 114.554 -0.203 0.000 2.934 463 T HA -0.004 4.346 4.350 -0.000 0.000 0.306 463 T C 0.497 174.855 174.700 -0.570 0.000 1.042 463 T CA 0.685 62.618 62.100 -0.280 0.000 1.145 463 T CB 0.821 69.583 68.868 -0.177 0.000 0.982 463 T HN 0.047 nan 8.240 nan 0.000 0.544 464 T N 3.158 117.449 114.554 -0.438 0.000 2.909 464 T HA 0.474 4.823 4.350 -0.000 0.000 0.286 464 T C -0.726 173.694 174.700 -0.466 0.000 1.002 464 T CA -0.289 61.530 62.100 -0.468 0.000 1.074 464 T CB 0.236 68.973 68.868 -0.218 0.000 0.984 464 T HN 0.367 nan 8.240 nan 0.000 0.495 465 Y N 0.009 120.250 120.300 -0.099 0.000 2.549 465 Y HA 0.732 5.281 4.550 -0.000 0.000 0.339 465 Y C 0.656 176.452 175.900 -0.174 0.000 1.053 465 Y CA -1.377 56.654 58.100 -0.115 0.000 1.105 465 Y CB 1.983 40.383 38.460 -0.101 0.000 1.258 465 Y HN 0.836 nan 8.280 nan 0.000 0.478 466 G N -0.270 108.518 108.800 -0.019 0.000 2.742 466 G HA2 0.736 4.696 3.960 -0.000 0.000 0.296 466 G HA3 0.736 4.696 3.960 -0.000 0.000 0.296 466 G C -2.050 172.656 174.900 -0.323 0.000 1.436 466 G CA -0.596 44.383 45.100 -0.202 0.000 0.928 466 G HN 0.843 nan 8.290 nan 0.000 0.520 467 A N 0.776 123.332 122.820 -0.439 0.000 2.549 467 A HA 0.820 5.139 4.320 -0.000 0.000 0.297 467 A C -1.164 176.129 177.584 -0.486 0.000 1.061 467 A CA -0.761 50.894 52.037 -0.637 0.000 0.690 467 A CB 0.996 19.585 19.000 -0.686 0.000 1.287 467 A HN 0.660 nan 8.150 nan 0.000 0.402 468 F N 0.796 120.606 119.950 -0.232 0.000 2.389 468 F HA 0.501 5.028 4.527 -0.000 0.000 0.337 468 F C 0.341 176.098 175.800 -0.071 0.000 1.112 468 F CA -0.326 57.621 58.000 -0.087 0.000 1.192 468 F CB 1.644 40.613 39.000 -0.051 0.000 1.185 468 F HN 0.259 nan 8.300 nan 0.000 0.552 469 V N 1.472 121.522 119.914 0.226 0.000 2.407 469 V HA 0.117 4.237 4.120 -0.000 0.000 0.291 469 V C -0.649 175.521 176.094 0.126 0.000 1.018 469 V CA -0.859 61.530 62.300 0.149 0.000 0.842 469 V CB 1.440 33.362 31.823 0.165 0.000 0.996 469 V HN 0.599 nan 8.190 nan 0.000 0.426 470 D N 5.889 126.352 120.400 0.105 0.000 2.545 470 D HA 0.316 4.956 4.640 -0.000 0.000 0.227 470 D C -0.142 176.203 176.300 0.074 0.000 1.150 470 D CA 0.207 54.257 54.000 0.084 0.000 1.046 470 D CB -0.223 40.624 40.800 0.078 0.000 1.098 470 D HN 0.633 nan 8.370 nan 0.000 0.502 471 I N -1.382 119.230 120.570 0.069 0.000 2.865 471 I HA 0.492 4.662 4.170 -0.000 0.000 0.302 471 I C -0.464 175.691 176.117 0.064 0.000 1.140 471 I CA -1.346 59.987 61.300 0.055 0.000 1.021 471 I CB 1.864 39.882 38.000 0.029 0.000 1.233 471 I HN -0.215 nan 8.210 nan 0.000 0.427 472 N N 4.570 123.315 118.700 0.075 0.000 2.408 472 N HA 0.368 5.108 4.740 -0.000 0.000 0.257 472 N C -1.922 173.624 175.510 0.060 0.000 1.064 472 N CA -2.251 50.869 53.050 0.116 0.000 0.952 472 N CB 1.350 39.925 38.487 0.147 0.000 1.093 472 N HN 0.435 nan 8.380 nan 0.000 0.490 473 P HA 0.013 nan 4.420 nan 0.000 0.233 473 P C 0.471 177.672 177.300 -0.166 0.000 1.167 473 P CA 0.909 63.931 63.100 -0.130 0.000 0.770 473 P CB 0.258 31.816 31.700 -0.237 0.000 0.837 474 H N -0.977 118.039 119.070 -0.090 0.000 2.390 474 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 474 H C 0.785 176.089 175.328 -0.040 0.000 1.106 474 H CA 1.182 57.191 56.048 -0.065 0.000 1.297 474 H CB -0.484 29.265 29.762 -0.021 0.000 1.375 474 H HN 0.198 nan 8.280 nan 0.000 0.509 475 Q N 0.678 120.536 119.800 0.097 0.000 2.260 475 Q HA 0.234 4.574 4.340 -0.000 0.000 0.242 475 Q C -2.335 173.677 176.000 0.019 0.000 0.932 475 Q CA -2.050 53.782 55.803 0.050 0.000 0.891 475 Q CB 0.515 29.283 28.738 0.049 0.000 1.222 475 Q HN 0.114 nan 8.270 nan 0.000 0.453 476 P HA -0.037 nan 4.420 nan 0.000 0.265 476 P C -1.117 176.204 177.300 0.035 0.000 1.187 476 P CA -0.001 63.115 63.100 0.027 0.000 0.766 476 P CB 0.427 32.142 31.700 0.025 0.000 0.820 477 L N 2.274 123.535 121.223 0.064 0.000 2.276 477 L HA 0.241 4.581 4.340 -0.000 0.000 0.286 477 L C 0.643 177.610 176.870 0.162 0.000 1.061 477 L CA 0.488 55.339 54.840 0.018 0.000 0.807 477 L CB 0.565 42.529 42.059 -0.159 0.000 1.177 477 L HN 0.260 nan 8.230 nan 0.000 0.429 478 S N 3.788 119.582 115.700 0.158 0.000 2.562 478 S HA 0.737 5.207 4.470 -0.000 0.000 0.275 478 S C -0.652 174.217 174.600 0.447 0.000 1.281 478 S CA -0.414 57.939 58.200 0.255 0.000 1.045 478 S CB 1.306 64.622 63.200 0.193 0.000 0.962 478 S HN 0.397 nan 8.310 nan 0.000 0.503 479 L N 3.043 124.537 121.223 0.452 0.000 2.505 479 L HA 0.574 4.914 4.340 -0.000 0.000 0.266 479 L C -0.817 176.273 176.870 0.366 0.000 0.954 479 L CA -0.315 54.808 54.840 0.473 0.000 0.852 479 L CB 1.746 44.119 42.059 0.523 0.000 1.282 479 L HN 0.717 nan 8.230 nan 0.000 0.403 480 R N 3.876 124.603 120.500 0.379 0.000 2.621 480 R HA 0.947 5.286 4.340 -0.000 0.000 0.292 480 R C -1.642 174.832 176.300 0.289 0.000 0.969 480 R CA -0.404 55.886 56.100 0.316 0.000 0.887 480 R CB 1.965 32.426 30.300 0.268 0.000 1.180 480 R HN 0.828 nan 8.270 nan 0.000 0.450 481 A N 5.638 128.593 122.820 0.226 0.000 2.332 481 A HA 0.430 4.750 4.320 -0.000 0.000 0.300 481 A C -1.121 176.582 177.584 0.199 0.000 1.153 481 A CA -0.697 51.456 52.037 0.193 0.000 0.764 481 A CB 0.938 20.025 19.000 0.146 0.000 1.174 481 A HN 0.677 nan 8.150 nan 0.000 0.467 482 L N 3.688 125.053 121.223 0.237 0.000 2.260 482 L HA 0.450 4.790 4.340 -0.000 0.000 0.289 482 L C -0.587 176.438 176.870 0.257 0.000 1.057 482 L CA 0.000 55.010 54.840 0.284 0.000 0.811 482 L CB 0.802 43.075 42.059 0.356 0.000 1.184 482 L HN 0.572 nan 8.230 nan 0.000 0.429 483 I N 3.320 124.039 120.570 0.249 0.000 2.404 483 I HA 0.321 4.490 4.170 -0.000 0.000 0.293 483 I C -0.518 175.662 176.117 0.105 0.000 0.992 483 I CA -0.210 61.167 61.300 0.128 0.000 1.149 483 I CB 1.831 39.880 38.000 0.082 0.000 1.315 483 I HN 0.472 nan 8.210 nan 0.000 0.446 484 D N 5.390 125.752 120.400 -0.064 0.000 2.978 484 D HA 0.192 4.831 4.640 -0.000 0.000 0.268 484 D C 0.510 176.729 176.300 -0.134 0.000 1.252 484 D CA -0.025 53.852 54.000 -0.204 0.000 0.771 484 D CB 0.102 40.663 40.800 -0.398 0.000 1.361 484 D HN 0.688 nan 8.370 nan 0.000 0.558 485 H N -0.122 118.947 119.070 -0.002 0.000 4.905 485 H HA -0.244 4.312 4.556 -0.000 0.000 0.065 485 H C 0.963 176.318 175.328 0.045 0.000 0.584 485 H CA 1.979 58.052 56.048 0.043 0.000 0.984 485 H CB -1.527 28.268 29.762 0.054 0.000 0.446 485 H HN 0.438 nan 8.280 nan 0.000 0.786 486 S N 0.541 116.284 115.700 0.071 0.000 2.900 486 S HA 0.531 5.001 4.470 -0.000 0.000 0.253 486 S C 0.082 174.511 174.600 -0.285 0.000 1.029 486 S CA 0.385 58.481 58.200 -0.173 0.000 1.096 486 S CB 1.425 64.537 63.200 -0.146 0.000 1.067 486 S HN 0.354 nan 8.310 nan 0.000 0.610 487 V N 1.098 120.876 119.914 -0.226 0.000 2.841 487 V HA 0.779 4.899 4.120 -0.000 0.000 0.310 487 V C -1.727 174.269 176.094 -0.164 0.000 1.090 487 V CA -0.596 61.551 62.300 -0.255 0.000 0.930 487 V CB 2.162 33.720 31.823 -0.441 0.000 1.014 487 V HN 0.230 nan 8.190 nan 0.000 0.425 488 V N 5.884 125.737 119.914 -0.101 0.000 2.482 488 V HA 0.529 4.649 4.120 -0.000 0.000 0.295 488 V C -0.463 175.612 176.094 -0.032 0.000 1.026 488 V CA -0.587 61.696 62.300 -0.029 0.000 0.856 488 V CB 1.695 33.509 31.823 -0.015 0.000 1.001 488 V HN 0.940 nan 8.190 nan 0.000 0.424 489 E N 2.723 122.934 120.200 0.017 0.000 2.113 489 E HA 0.533 4.883 4.350 -0.000 0.000 0.273 489 E C -0.731 175.763 176.600 -0.177 0.000 0.924 489 E CA -0.314 56.032 56.400 -0.090 0.000 0.764 489 E CB 1.699 31.456 29.700 0.095 0.000 1.104 489 E HN 0.612 nan 8.360 nan 0.000 0.406 490 S N 2.794 118.260 115.700 -0.390 0.000 2.454 490 S HA 0.499 4.969 4.470 -0.000 0.000 0.306 490 S C -0.791 173.502 174.600 -0.512 0.000 1.100 490 S CA -0.681 57.363 58.200 -0.259 0.000 1.087 490 S CB 0.445 63.559 63.200 -0.143 0.000 1.019 490 S HN 0.315 nan 8.310 nan 0.000 0.480 491 F N 1.502 121.477 119.950 0.041 0.000 2.430 491 F HA 0.499 5.026 4.527 -0.000 0.000 0.362 491 F C 0.887 176.832 175.800 0.241 0.000 1.103 491 F CA -0.713 57.360 58.000 0.122 0.000 1.045 491 F CB 1.289 40.340 39.000 0.086 0.000 1.276 491 F HN 0.676 nan 8.300 nan 0.000 0.444 492 G N 0.608 109.612 108.800 0.341 0.000 2.420 492 G HA2 0.437 4.397 3.960 -0.000 0.000 0.284 492 G HA3 0.437 4.397 3.960 -0.000 0.000 0.284 492 G C 0.675 175.803 174.900 0.379 0.000 1.177 492 G CA -0.229 45.131 45.100 0.434 0.000 0.841 492 G HN 1.176 nan 8.290 nan 0.000 0.527 493 G N 0.682 109.686 108.800 0.339 0.000 2.338 493 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.296 493 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.296 493 G C 0.682 175.684 174.900 0.170 0.000 1.040 493 G CA 0.951 46.169 45.100 0.196 0.000 1.004 493 G HN 1.835 nan 8.290 nan 0.000 0.509 494 K N -2.057 118.468 120.400 0.208 0.000 3.096 494 K HA -0.033 4.287 4.320 -0.000 0.000 0.266 494 K C 1.654 178.305 176.600 0.084 0.000 1.043 494 K CA 2.399 58.673 56.287 -0.021 0.000 0.758 494 K CB -1.511 30.874 32.500 -0.191 0.000 1.260 494 K HN 2.432 nan 8.250 nan 0.000 0.481 495 G N -1.046 108.025 108.800 0.451 0.000 2.159 495 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.227 495 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.227 495 G C 0.762 175.786 174.900 0.207 0.000 0.986 495 G CA 0.322 45.699 45.100 0.460 0.000 0.651 495 G HN 0.434 nan 8.290 nan 0.000 0.523 496 R N 0.154 120.756 120.500 0.169 0.000 2.193 496 R HA 0.464 4.804 4.340 -0.000 0.000 0.213 496 R C 1.143 177.532 176.300 0.149 0.000 1.055 496 R CA 1.190 57.360 56.100 0.118 0.000 0.995 496 R CB 0.287 30.647 30.300 0.101 0.000 0.893 496 R HN 0.786 nan 8.270 nan 0.000 0.459 497 A N 0.529 123.450 122.820 0.167 0.000 2.499 497 A HA 0.423 4.743 4.320 -0.000 0.000 0.280 497 A C -0.961 176.667 177.584 0.073 0.000 1.135 497 A CA -0.751 51.353 52.037 0.112 0.000 0.744 497 A CB 0.790 19.825 19.000 0.057 0.000 1.213 497 A HN 0.166 nan 8.150 nan 0.000 0.434 498 C N 2.492 121.812 119.300 0.033 0.000 2.382 498 C HA 0.778 5.238 4.460 -0.000 0.000 0.327 498 C C -0.016 174.846 174.990 -0.212 0.000 1.250 498 C CA -0.497 58.387 59.018 -0.223 0.000 1.707 498 C CB -0.023 27.546 27.740 -0.286 0.000 2.272 498 C HN 0.688 nan 8.230 nan 0.000 0.506 499 I N 2.523 122.899 120.570 -0.322 0.000 2.497 499 I HA 0.253 4.423 4.170 -0.000 0.000 0.284 499 I C -0.263 175.698 176.117 -0.260 0.000 1.060 499 I CA 0.106 61.262 61.300 -0.240 0.000 1.071 499 I CB 1.715 39.638 38.000 -0.127 0.000 1.216 499 I HN 0.575 nan 8.210 nan 0.000 0.442 500 T N 4.138 118.542 114.554 -0.249 0.000 2.767 500 T HA 0.458 4.807 4.350 -0.000 0.000 0.288 500 T C 0.110 174.747 174.700 -0.104 0.000 0.963 500 T CA -0.541 61.467 62.100 -0.153 0.000 1.019 500 T CB 1.100 69.932 68.868 -0.059 0.000 0.923 500 T HN 0.701 nan 8.240 nan 0.000 0.468 501 S N 3.492 119.188 115.700 -0.007 0.000 2.600 501 S HA 0.796 5.265 4.470 -0.000 0.000 0.300 501 S C -0.982 173.610 174.600 -0.012 0.000 1.087 501 S CA -1.254 57.018 58.200 0.120 0.000 0.965 501 S CB 1.723 65.041 63.200 0.196 0.000 1.089 501 S HN 0.424 nan 8.310 nan 0.000 0.496 502 R N 1.123 121.615 120.500 -0.014 0.000 2.480 502 R HA 0.712 5.051 4.340 -0.000 0.000 0.306 502 R C -0.715 175.415 176.300 -0.284 0.000 0.958 502 R CA -0.638 55.356 56.100 -0.178 0.000 0.861 502 R CB 1.284 31.543 30.300 -0.069 0.000 1.171 502 R HN 0.865 nan 8.270 nan 0.000 0.445 503 V N -0.039 119.526 119.914 -0.581 0.000 3.130 503 V HA 0.678 4.798 4.120 -0.000 0.000 0.310 503 V C -1.265 174.252 176.094 -0.961 0.000 1.158 503 V CA -0.920 61.076 62.300 -0.506 0.000 1.029 503 V CB 2.527 34.219 31.823 -0.218 0.000 1.057 503 V HN 0.703 nan 8.190 nan 0.000 0.436 504 Y N 1.168 121.304 120.300 -0.272 0.000 2.513 504 Y HA 0.548 5.097 4.550 -0.000 0.000 0.341 504 Y C -2.790 172.971 175.900 -0.233 0.000 1.075 504 Y CA -2.041 55.686 58.100 -0.620 0.000 1.190 504 Y CB 1.253 39.175 38.460 -0.897 0.000 1.111 504 Y HN 0.495 nan 8.280 nan 0.000 0.644 505 P HA 0.177 nan 4.420 nan 0.000 0.275 505 P C 0.438 177.920 177.300 0.303 0.000 1.228 505 P CA -0.340 62.867 63.100 0.179 0.000 0.786 505 P CB 1.577 33.368 31.700 0.152 0.000 0.927 506 K N 1.083 121.601 120.400 0.197 0.000 2.166 506 K HA 0.150 4.470 4.320 -0.000 0.000 0.201 506 K C 1.605 178.286 176.600 0.134 0.000 1.052 506 K CA 1.373 57.766 56.287 0.176 0.000 0.969 506 K CB -0.440 32.129 32.500 0.115 0.000 0.761 506 K HN 0.349 nan 8.250 nan 0.000 0.459 507 L N -0.698 120.598 121.223 0.122 0.000 2.286 507 L HA 0.270 4.610 4.340 -0.000 0.000 0.203 507 L C 0.776 177.726 176.870 0.133 0.000 1.068 507 L CA 0.097 55.005 54.840 0.113 0.000 0.811 507 L CB -0.145 41.977 42.059 0.105 0.000 0.989 507 L HN -0.091 nan 8.230 nan 0.000 0.467 508 A N 1.716 124.627 122.820 0.151 0.000 2.981 508 A HA 0.453 4.773 4.320 -0.000 0.000 0.280 508 A C -0.092 177.582 177.584 0.151 0.000 1.743 508 A CA 0.226 52.359 52.037 0.159 0.000 1.430 508 A CB -1.242 17.858 19.000 0.166 0.000 1.085 508 A HN 0.269 nan 8.150 nan 0.000 0.597 509 I N 0.496 121.139 120.570 0.123 0.000 2.582 509 I HA 0.544 4.714 4.170 -0.000 0.000 0.292 509 I C 1.171 177.341 176.117 0.088 0.000 1.066 509 I CA -0.099 61.270 61.300 0.114 0.000 1.053 509 I CB 2.015 40.053 38.000 0.062 0.000 1.241 509 I HN 0.715 nan 8.210 nan 0.000 0.421 510 G N 5.247 114.124 108.800 0.129 0.000 2.665 510 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.326 510 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.326 510 G C 0.820 175.747 174.900 0.045 0.000 1.231 510 G CA 0.853 46.019 45.100 0.108 0.000 0.992 510 G HN 0.676 nan 8.290 nan 0.000 0.549 511 K N 0.665 121.076 120.400 0.019 0.000 2.365 511 K HA 0.187 4.507 4.320 -0.000 0.000 0.199 511 K C 2.351 178.908 176.600 -0.072 0.000 1.045 511 K CA 1.136 57.410 56.287 -0.022 0.000 0.962 511 K CB -0.012 32.487 32.500 -0.002 0.000 0.759 511 K HN 0.232 nan 8.250 nan 0.000 0.469 512 S N 0.794 116.482 115.700 -0.020 0.000 2.634 512 S HA 0.033 4.503 4.470 -0.000 0.000 0.221 512 S C 0.155 174.768 174.600 0.021 0.000 0.952 512 S CA -0.340 57.870 58.200 0.018 0.000 0.930 512 S CB 0.122 63.374 63.200 0.087 0.000 0.780 512 S HN 0.276 nan 8.310 nan 0.000 0.498 513 S N 1.461 117.111 115.700 -0.083 0.000 2.608 513 S HA 0.592 5.062 4.470 -0.000 0.000 0.291 513 S C -0.686 173.758 174.600 -0.260 0.000 1.146 513 S CA -0.697 57.492 58.200 -0.017 0.000 1.043 513 S CB 1.197 64.415 63.200 0.030 0.000 1.037 513 S HN 0.382 nan 8.310 nan 0.000 0.520 514 H N 0.129 119.220 119.070 0.035 0.000 2.928 514 H HA 0.587 5.143 4.556 -0.000 0.000 0.371 514 H C -1.509 173.711 175.328 -0.179 0.000 1.186 514 H CA -0.759 55.218 56.048 -0.118 0.000 1.134 514 H CB 1.883 31.548 29.762 -0.162 0.000 1.824 514 H HN 0.534 nan 8.280 nan 0.000 0.554 515 L N 2.182 123.233 121.223 -0.287 0.000 2.356 515 L HA 0.462 4.801 4.340 -0.000 0.000 0.277 515 L C -1.759 174.828 176.870 -0.471 0.000 0.996 515 L CA -0.300 54.409 54.840 -0.217 0.000 0.822 515 L CB 0.553 42.541 42.059 -0.119 0.000 1.256 515 L HN 0.360 nan 8.230 nan 0.000 0.413 516 F N 3.276 123.238 119.950 0.021 0.000 2.561 516 F HA 0.854 5.381 4.527 -0.000 0.000 0.321 516 F C 0.368 176.223 175.800 0.092 0.000 1.065 516 F CA -0.651 57.356 58.000 0.011 0.000 0.934 516 F CB 1.952 40.943 39.000 -0.016 0.000 1.215 516 F HN 0.598 nan 8.300 nan 0.000 0.471 517 A N 2.198 125.196 122.820 0.297 0.000 2.324 517 A HA 0.870 5.190 4.320 -0.000 0.000 0.330 517 A C -1.301 176.485 177.584 0.337 0.000 1.165 517 A CA -0.449 51.778 52.037 0.317 0.000 0.813 517 A CB 0.625 19.762 19.000 0.228 0.000 1.197 517 A HN 0.776 nan 8.150 nan 0.000 0.484 518 F N 0.401 120.382 119.950 0.051 0.000 2.645 518 F HA 0.802 5.329 4.527 -0.000 0.000 0.310 518 F C -1.177 174.519 175.800 -0.172 0.000 1.102 518 F CA -1.073 56.838 58.000 -0.149 0.000 0.952 518 F CB 1.866 40.594 39.000 -0.455 0.000 1.326 518 F HN 0.447 nan 8.300 nan 0.000 0.456 519 N N 1.690 120.219 118.700 -0.286 0.000 2.599 519 N HA 0.272 5.012 4.740 -0.000 0.000 0.283 519 N C -1.703 173.837 175.510 0.051 0.000 1.160 519 N CA -0.588 52.300 53.050 -0.270 0.000 0.869 519 N CB 0.556 38.959 38.487 -0.140 0.000 1.448 519 N HN 0.820 nan 8.380 nan 0.000 0.535 520 Y N 0.674 120.965 120.300 -0.016 0.000 2.485 520 Y HA 0.350 4.900 4.550 -0.000 0.000 0.260 520 Y C 1.666 177.480 175.900 -0.144 0.000 1.173 520 Y CA -0.802 57.275 58.100 -0.039 0.000 1.252 520 Y CB 0.997 39.456 38.460 -0.002 0.000 1.123 520 Y HN 0.485 nan 8.280 nan 0.000 0.524 521 G N -0.770 108.034 108.800 0.006 0.000 2.599 521 G HA2 0.037 3.997 3.960 -0.000 0.000 0.264 521 G HA3 0.037 3.997 3.960 -0.000 0.000 0.264 521 G C -0.063 174.779 174.900 -0.097 0.000 1.200 521 G CA -0.279 44.773 45.100 -0.080 0.000 0.896 521 G HN 0.295 nan 8.290 nan 0.000 0.536 522 Y N -0.530 119.788 120.300 0.030 0.000 2.163 522 Y HA -0.052 4.498 4.550 -0.000 0.000 0.288 522 Y C 1.923 177.822 175.900 -0.001 0.000 1.136 522 Y CA 0.845 58.955 58.100 0.016 0.000 1.147 522 Y CB 0.153 38.622 38.460 0.015 0.000 0.987 522 Y HN 0.182 nan 8.280 nan 0.000 0.509 523 Q N 1.235 121.118 119.800 0.139 0.000 2.288 523 Q HA 0.150 4.490 4.340 -0.000 0.000 0.254 523 Q C 0.016 176.003 176.000 -0.022 0.000 0.932 523 Q CA -0.226 55.603 55.803 0.042 0.000 0.902 523 Q CB 1.270 30.011 28.738 0.006 0.000 1.203 523 Q HN 0.225 nan 8.270 nan 0.000 0.415 524 S N 0.324 116.004 115.700 -0.034 0.000 2.565 524 S HA 0.498 4.968 4.470 -0.000 0.000 0.276 524 S C 0.368 174.886 174.600 -0.136 0.000 1.326 524 S CA -0.884 57.278 58.200 -0.064 0.000 1.045 524 S CB 0.843 64.024 63.200 -0.032 0.000 0.918 524 S HN 0.431 nan 8.310 nan 0.000 0.505 525 V N -1.060 118.741 119.914 -0.190 0.000 2.680 525 V HA 0.591 4.711 4.120 -0.000 0.000 0.309 525 V C -0.878 175.142 176.094 -0.125 0.000 1.052 525 V CA -1.078 61.054 62.300 -0.281 0.000 0.908 525 V CB 1.597 33.018 31.823 -0.669 0.000 1.001 525 V HN 0.779 nan 8.190 nan 0.000 0.431 526 D N 2.626 122.973 120.400 -0.088 0.000 2.256 526 D HA 0.421 5.060 4.640 -0.000 0.000 0.250 526 D C -0.295 176.023 176.300 0.030 0.000 1.093 526 D CA -0.019 53.965 54.000 -0.026 0.000 0.882 526 D CB 2.148 42.926 40.800 -0.036 0.000 1.185 526 D HN 0.506 nan 8.370 nan 0.000 0.437 527 V N 4.304 124.224 119.914 0.009 0.000 2.288 527 V HA 0.077 4.197 4.120 -0.000 0.000 0.266 527 V C 1.675 177.712 176.094 -0.094 0.000 1.048 527 V CA -0.263 61.989 62.300 -0.080 0.000 0.842 527 V CB 0.694 32.469 31.823 -0.079 0.000 1.064 527 V HN 0.492 nan 8.190 nan 0.000 0.472 528 L N 2.697 123.861 121.223 -0.098 0.000 2.046 528 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 528 L C 0.962 177.786 176.870 -0.078 0.000 1.077 528 L CA 1.481 56.281 54.840 -0.068 0.000 0.747 528 L CB 0.035 42.065 42.059 -0.049 0.000 0.896 528 L HN 0.714 nan 8.230 nan 0.000 0.432 529 N N -1.074 117.559 118.700 -0.112 0.000 2.371 529 N HA 0.445 5.185 4.740 -0.000 0.000 0.280 529 N C -1.860 173.562 175.510 -0.147 0.000 1.084 529 N CA -0.480 52.507 53.050 -0.104 0.000 0.892 529 N CB 1.743 40.191 38.487 -0.065 0.000 1.653 529 N HN -0.146 nan 8.380 nan 0.000 0.480 530 L N 2.838 123.973 121.223 -0.146 0.000 2.441 530 L HA 0.655 4.995 4.340 -0.000 0.000 0.270 530 L C -1.729 175.017 176.870 -0.207 0.000 0.973 530 L CA -0.527 54.215 54.840 -0.163 0.000 0.842 530 L CB 1.414 43.380 42.059 -0.156 0.000 1.239 530 L HN 0.543 nan 8.230 nan 0.000 0.406 531 N N 4.320 122.859 118.700 -0.268 0.000 2.417 531 N HA 0.779 5.519 4.740 -0.000 0.000 0.274 531 N C -0.962 174.196 175.510 -0.586 0.000 0.987 531 N CA -0.263 52.442 53.050 -0.575 0.000 0.912 531 N CB 2.163 40.129 38.487 -0.868 0.000 1.177 531 N HN 0.750 nan 8.380 nan 0.000 0.490 532 A N 2.764 125.250 122.820 -0.556 0.000 2.304 532 A HA 0.567 4.886 4.320 -0.000 0.000 0.314 532 A C -1.008 176.368 177.584 -0.347 0.000 1.187 532 A CA -0.766 51.090 52.037 -0.302 0.000 0.810 532 A CB 0.919 19.827 19.000 -0.154 0.000 1.183 532 A HN 0.555 nan 8.150 nan 0.000 0.487 533 W N 2.246 123.530 121.300 -0.027 0.000 2.478 533 W HA 0.367 5.026 4.660 -0.000 0.000 0.318 533 W C -0.060 176.432 176.519 -0.045 0.000 1.062 533 W CA -0.614 56.708 57.345 -0.040 0.000 1.210 533 W CB 2.011 31.436 29.460 -0.058 0.000 1.325 533 W HN 0.622 nan 8.180 nan 0.000 0.496 534 S N 3.494 119.288 115.700 0.157 0.000 2.562 534 S HA 0.263 4.733 4.470 -0.000 0.000 0.281 534 S C 0.307 174.947 174.600 0.067 0.000 1.333 534 S CA -0.135 58.119 58.200 0.091 0.000 1.052 534 S CB 0.398 63.633 63.200 0.059 0.000 0.884 534 S HN 0.196 nan 8.310 nan 0.000 0.506 535 M N 3.628 123.239 119.600 0.018 0.000 2.227 535 M HA 0.339 4.819 4.480 -0.000 0.000 0.335 535 M C -0.193 176.093 176.300 -0.022 0.000 1.053 535 M CA -0.633 54.608 55.300 -0.098 0.000 0.973 535 M CB 1.292 33.707 32.600 -0.309 0.000 1.623 535 M HN 0.504 nan 8.290 nan 0.000 0.434 536 N N 1.022 119.691 118.700 -0.051 0.000 2.503 536 N HA 0.246 4.986 4.740 -0.000 0.000 0.267 536 N C -0.402 175.143 175.510 0.057 0.000 1.214 536 N CA 0.011 53.066 53.050 0.009 0.000 0.959 536 N CB 0.879 39.358 38.487 -0.014 0.000 1.142 536 N HN 0.490 nan 8.380 nan 0.000 0.455 537 S N 0.453 116.216 115.700 0.105 0.000 2.564 537 S HA 0.337 4.806 4.470 -0.000 0.000 0.278 537 S C 0.411 175.074 174.600 0.104 0.000 1.333 537 S CA -0.830 57.461 58.200 0.152 0.000 1.048 537 S CB 0.836 64.104 63.200 0.113 0.000 0.900 537 S HN 0.637 nan 8.310 nan 0.000 0.505 538 A N 2.087 124.996 122.820 0.149 0.000 2.304 538 A HA 0.450 4.770 4.320 -0.000 0.000 0.271 538 A C 0.173 177.802 177.584 0.074 0.000 1.091 538 A CA -0.452 51.649 52.037 0.106 0.000 0.812 538 A CB 0.191 19.292 19.000 0.170 0.000 1.056 538 A HN 0.653 nan 8.150 nan 0.000 0.489 539 Q N 0.975 120.802 119.800 0.045 0.000 2.377 539 Q HA 0.547 4.887 4.340 -0.000 0.000 0.249 539 Q C -1.340 174.697 176.000 0.061 0.000 1.005 539 Q CA 0.606 56.424 55.803 0.025 0.000 0.912 539 Q CB -0.151 28.585 28.738 -0.004 0.000 1.223 539 Q HN 0.501 nan 8.270 nan 0.000 0.459 540 I N 3.223 123.822 120.570 0.049 0.000 2.447 540 I HA 0.289 4.459 4.170 -0.000 0.000 0.287 540 I C 0.021 176.100 176.117 -0.064 0.000 1.023 540 I CA -0.832 60.518 61.300 0.083 0.000 1.083 540 I CB 1.710 39.742 38.000 0.054 0.000 1.245 540 I HN 0.836 nan 8.210 nan 0.000 0.434 541 S N 0.000 115.679 115.700 -0.035 0.000 2.498 541 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 541 S CA 0.000 58.115 58.200 -0.141 0.000 1.107 541 S CB 0.000 63.036 63.200 -0.273 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517